USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot -116:sc= -0.422 USER MOD Set 1.2: A 68 ASN : amide:sc= -0.133 K(o=-0.56,f=-4.8!) USER MOD Set 2.1: A 59 THR OG1 : rot -100:sc= -0.29 USER MOD Set 2.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl 161:sc= -1.61 (180deg=-2.5!) USER MOD Set 3.2: A 5 LYS NZ :NH3+ 153:sc= -0.249 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.81! F(o=-2.4,f=-1.8!) USER MOD Single : A 20 THR OG1 : rot 28:sc= 0.106 USER MOD Single : A 22 MET CE :methyl -112:sc= -1.02 (180deg=-2.24) USER MOD Single : A 23 CYS SG : rot -60:sc= -1.07! USER MOD Single : A 24 ASN : amide:sc= -0.0871 K(o=-0.087,f=-1.5!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 33 SER OG : rot 180:sc= -0.421 USER MOD Single : A 34 CYS SG : rot 40:sc= 0.0108 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.064 USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= -0.0602 (180deg=-0.791) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.212 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.833 USER MOD Single : A 75 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-4.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0175 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.722 7.692 -6.757 1.00 0.00 N ATOM 2 CA MET A 1 -4.929 6.375 -6.099 1.00 0.00 C ATOM 3 C MET A 1 -4.999 6.523 -4.582 1.00 0.00 C ATOM 4 O MET A 1 -4.871 7.627 -4.051 1.00 0.00 O ATOM 5 CB MET A 1 -3.774 5.449 -6.491 1.00 0.00 C ATOM 6 CG MET A 1 -4.214 4.237 -7.297 1.00 0.00 C ATOM 7 SD MET A 1 -5.132 4.687 -8.783 1.00 0.00 S ATOM 8 CE MET A 1 -6.691 3.859 -8.480 1.00 0.00 C ATOM 0 H1 MET A 1 -4.678 7.562 -7.788 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.512 8.326 -6.521 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.831 8.111 -6.423 1.00 0.00 H new ATOM 0 HA MET A 1 -5.877 5.952 -6.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.045 6.016 -7.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.268 5.110 -5.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.337 3.655 -7.579 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.835 3.595 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.464 4.297 -9.111 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.591 2.799 -8.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.968 3.976 -7.432 1.00 0.00 H new ATOM 20 N ARG A 2 -5.203 5.407 -3.891 1.00 0.00 N ATOM 21 CA ARG A 2 -5.292 5.418 -2.435 1.00 0.00 C ATOM 22 C ARG A 2 -4.638 4.175 -1.838 1.00 0.00 C ATOM 23 O ARG A 2 -4.574 3.126 -2.478 1.00 0.00 O ATOM 24 CB ARG A 2 -6.753 5.500 -1.992 1.00 0.00 C ATOM 25 CG ARG A 2 -7.565 6.537 -2.752 1.00 0.00 C ATOM 26 CD ARG A 2 -8.335 5.908 -3.901 1.00 0.00 C ATOM 27 NE ARG A 2 -9.640 5.407 -3.477 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.711 6.180 -3.302 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.635 7.488 -3.513 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.860 5.643 -2.917 1.00 0.00 N ATOM 0 H ARG A 2 -5.310 4.485 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.759 6.297 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.218 4.522 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.788 5.733 -0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.261 7.026 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.900 7.310 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.470 6.644 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.752 5.089 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.737 4.406 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.754 7.906 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.458 8.075 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.924 4.638 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.680 6.235 -2.783 1.00 0.00 H new ATOM 44 N ILE A 3 -4.160 4.302 -0.603 1.00 0.00 N ATOM 45 CA ILE A 3 -3.513 3.195 0.095 1.00 0.00 C ATOM 46 C ILE A 3 -4.350 1.924 0.013 1.00 0.00 C ATOM 47 O ILE A 3 -3.812 0.821 -0.083 1.00 0.00 O ATOM 48 CB ILE A 3 -3.263 3.549 1.576 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.507 2.411 2.282 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.578 3.868 2.275 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.398 1.354 2.911 1.00 0.00 C ATOM 0 H ILE A 3 -4.209 5.166 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.557 3.018 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.637 4.440 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.847 1.929 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.872 2.840 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.385 4.116 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.055 4.716 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.237 3.001 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.779 0.592 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.040 1.818 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.015 0.892 2.140 1.00 0.00 H new ATOM 63 N ASP A 4 -5.667 2.085 0.046 1.00 0.00 N ATOM 64 CA ASP A 4 -6.574 0.948 -0.032 1.00 0.00 C ATOM 65 C ASP A 4 -6.316 0.134 -1.297 1.00 0.00 C ATOM 66 O ASP A 4 -6.139 -1.077 -1.239 1.00 0.00 O ATOM 67 CB ASP A 4 -8.029 1.421 -0.001 1.00 0.00 C ATOM 68 CG ASP A 4 -8.276 2.598 -0.924 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.347 2.384 -2.153 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.400 3.733 -0.418 1.00 0.00 O ATOM 0 H ASP A 4 -6.130 2.990 0.126 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.392 0.310 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.682 0.596 -0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.295 1.700 1.018 1.00 0.00 H new ATOM 75 N LYS A 5 -6.304 0.811 -2.438 1.00 0.00 N ATOM 76 CA LYS A 5 -6.072 0.152 -3.720 1.00 0.00 C ATOM 77 C LYS A 5 -4.587 0.127 -4.093 1.00 0.00 C ATOM 78 O LYS A 5 -4.212 -0.445 -5.116 1.00 0.00 O ATOM 79 CB LYS A 5 -6.869 0.853 -4.821 1.00 0.00 C ATOM 80 CG LYS A 5 -7.179 -0.039 -6.012 1.00 0.00 C ATOM 81 CD LYS A 5 -7.448 0.777 -7.266 1.00 0.00 C ATOM 82 CE LYS A 5 -8.777 0.403 -7.903 1.00 0.00 C ATOM 83 NZ LYS A 5 -9.226 1.422 -8.892 1.00 0.00 N ATOM 0 H LYS A 5 -6.452 1.818 -2.503 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.407 -0.881 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.805 1.222 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.309 1.723 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.342 -0.715 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.047 -0.659 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.449 1.838 -7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.643 0.619 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.684 -0.565 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.534 0.293 -7.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.832 0.969 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.763 2.167 -8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.397 1.843 -9.358 1.00 0.00 H new ATOM 97 N PHE A 6 -3.745 0.769 -3.283 1.00 0.00 N ATOM 98 CA PHE A 6 -2.313 0.830 -3.571 1.00 0.00 C ATOM 99 C PHE A 6 -1.564 -0.429 -3.130 1.00 0.00 C ATOM 100 O PHE A 6 -1.085 -1.194 -3.966 1.00 0.00 O ATOM 101 CB PHE A 6 -1.690 2.059 -2.908 1.00 0.00 C ATOM 102 CG PHE A 6 -0.444 2.537 -3.598 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.799 2.051 -3.228 1.00 0.00 C ATOM 104 CD2 PHE A 6 -0.518 3.469 -4.620 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.946 2.484 -3.864 1.00 0.00 C ATOM 106 CE2 PHE A 6 0.626 3.908 -5.261 1.00 0.00 C ATOM 107 CZ PHE A 6 1.859 3.414 -4.882 1.00 0.00 C ATOM 0 H PHE A 6 -4.027 1.250 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.216 0.902 -4.654 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.422 2.866 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.455 1.824 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.872 1.324 -2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.480 3.857 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.909 2.096 -3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.556 4.635 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.754 3.754 -5.381 1.00 0.00 H new ATOM 117 N LEU A 7 -1.444 -0.628 -1.820 1.00 0.00 N ATOM 118 CA LEU A 7 -0.724 -1.784 -1.291 1.00 0.00 C ATOM 119 C LEU A 7 -1.533 -3.068 -1.438 1.00 0.00 C ATOM 120 O LEU A 7 -1.006 -4.167 -1.264 1.00 0.00 O ATOM 121 CB LEU A 7 -0.351 -1.557 0.177 1.00 0.00 C ATOM 122 CG LEU A 7 -1.524 -1.321 1.130 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.254 -2.626 1.414 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.031 -0.697 2.427 1.00 0.00 C ATOM 0 H LEU A 7 -1.833 -0.009 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 7 0.189 -1.898 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.210 -2.423 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.318 -0.699 0.234 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.223 -0.633 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.085 -2.438 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.635 -3.040 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.565 -3.336 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.876 -0.534 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.314 -1.366 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.549 0.257 2.212 1.00 0.00 H new ATOM 136 N GLN A 8 -2.810 -2.925 -1.761 1.00 0.00 N ATOM 137 CA GLN A 8 -3.686 -4.074 -1.931 1.00 0.00 C ATOM 138 C GLN A 8 -3.677 -4.561 -3.379 1.00 0.00 C ATOM 139 O GLN A 8 -3.994 -5.718 -3.656 1.00 0.00 O ATOM 140 CB GLN A 8 -5.104 -3.706 -1.508 1.00 0.00 C ATOM 141 CG GLN A 8 -5.203 -3.255 -0.060 1.00 0.00 C ATOM 142 CD GLN A 8 -6.633 -3.205 0.441 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.822 -3.509 1.720 1.00 0.00 O flip ATOM 144 NE2 GLN A 8 -7.556 -2.898 -0.312 1.00 0.00 N flip ATOM 0 H GLN A 8 -3.263 -2.023 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.320 -4.885 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.473 -2.910 -2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.755 -4.567 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.626 -3.934 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.753 -2.268 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.364 -2.672 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.513 -2.870 0.040 1.00 0.00 H new ATOM 153 N SER A 9 -3.317 -3.669 -4.298 1.00 0.00 N ATOM 154 CA SER A 9 -3.271 -4.007 -5.716 1.00 0.00 C ATOM 155 C SER A 9 -1.918 -4.604 -6.097 1.00 0.00 C ATOM 156 O SER A 9 -1.847 -5.575 -6.849 1.00 0.00 O ATOM 157 CB SER A 9 -3.544 -2.764 -6.563 1.00 0.00 C ATOM 158 OG SER A 9 -4.915 -2.411 -6.524 1.00 0.00 O ATOM 0 H SER A 9 -3.053 -2.707 -4.085 1.00 0.00 H new ATOM 0 HA SER A 9 -4.042 -4.753 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.941 -1.932 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.242 -2.949 -7.594 1.00 0.00 H new ATOM 0 HG SER A 9 -5.302 -2.501 -7.420 1.00 0.00 H new ATOM 164 N VAL A 10 -0.847 -4.010 -5.578 1.00 0.00 N ATOM 165 CA VAL A 10 0.509 -4.475 -5.866 1.00 0.00 C ATOM 166 C VAL A 10 0.624 -5.992 -5.739 1.00 0.00 C ATOM 167 O VAL A 10 1.303 -6.640 -6.535 1.00 0.00 O ATOM 168 CB VAL A 10 1.544 -3.815 -4.934 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.908 -2.427 -5.438 1.00 0.00 C ATOM 170 CG2 VAL A 10 1.022 -3.750 -3.507 1.00 0.00 C ATOM 0 H VAL A 10 -0.891 -3.204 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 10 0.719 -4.187 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 10 2.445 -4.428 -4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.640 -1.977 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.332 -2.503 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.013 -1.805 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.769 -3.280 -2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.103 -3.164 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.819 -4.759 -3.148 1.00 0.00 H new ATOM 180 N GLY A 11 -0.046 -6.556 -4.738 1.00 0.00 N ATOM 181 CA GLY A 11 -0.001 -7.993 -4.537 1.00 0.00 C ATOM 182 C GLY A 11 0.086 -8.384 -3.073 1.00 0.00 C ATOM 183 O GLY A 11 -0.201 -9.526 -2.713 1.00 0.00 O ATOM 0 H GLY A 11 -0.617 -6.045 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.891 -8.444 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.858 -8.402 -5.068 1.00 0.00 H new ATOM 187 N LEU A 12 0.485 -7.437 -2.225 1.00 0.00 N ATOM 188 CA LEU A 12 0.610 -7.691 -0.792 1.00 0.00 C ATOM 189 C LEU A 12 -0.623 -8.409 -0.250 1.00 0.00 C ATOM 190 O LEU A 12 -0.560 -9.584 0.111 1.00 0.00 O ATOM 191 CB LEU A 12 0.825 -6.374 -0.040 1.00 0.00 C ATOM 192 CG LEU A 12 2.185 -6.233 0.645 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.362 -4.826 1.195 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.331 -7.265 1.753 1.00 0.00 C ATOM 0 H LEU A 12 0.727 -6.487 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 12 1.474 -8.337 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.701 -5.549 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.044 -6.272 0.713 1.00 0.00 H new ATOM 0 HG LEU A 12 2.965 -6.411 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.335 -4.744 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.301 -4.106 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.577 -4.618 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.304 -7.151 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.544 -7.118 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.249 -8.266 1.331 1.00 0.00 H new ATOM 206 N VAL A 13 -1.742 -7.695 -0.197 1.00 0.00 N ATOM 207 CA VAL A 13 -2.989 -8.264 0.299 1.00 0.00 C ATOM 208 C VAL A 13 -4.068 -8.246 -0.780 1.00 0.00 C ATOM 209 O VAL A 13 -5.010 -7.455 -0.718 1.00 0.00 O ATOM 210 CB VAL A 13 -3.501 -7.505 1.538 1.00 0.00 C ATOM 211 CG1 VAL A 13 -2.694 -7.883 2.770 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.455 -6.003 1.301 1.00 0.00 C ATOM 0 H VAL A 13 -1.811 -6.721 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.777 -9.296 0.579 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.538 -7.791 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.071 -7.336 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.785 -8.954 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.646 -7.630 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.820 -5.484 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.428 -5.698 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.083 -5.750 0.447 1.00 0.00 H new ATOM 337 N THR A 20 -12.589 -2.803 3.532 1.00 0.00 N ATOM 338 CA THR A 20 -11.199 -2.715 3.961 1.00 0.00 C ATOM 339 C THR A 20 -11.106 -2.530 5.472 1.00 0.00 C ATOM 340 O THR A 20 -11.526 -1.506 6.010 1.00 0.00 O ATOM 341 CB THR A 20 -10.496 -1.557 3.250 1.00 0.00 C ATOM 342 OG1 THR A 20 -10.600 -1.696 1.844 1.00 0.00 O ATOM 343 CG2 THR A 20 -9.026 -1.448 3.593 1.00 0.00 C ATOM 0 HA THR A 20 -10.704 -3.649 3.696 1.00 0.00 H new ATOM 0 HB THR A 20 -11.001 -0.655 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.412 -2.199 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.588 -0.607 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.913 -1.291 4.666 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.516 -2.367 3.305 1.00 0.00 H new ATOM 351 N ASP A 21 -10.553 -3.531 6.152 1.00 0.00 N ATOM 352 CA ASP A 21 -10.402 -3.480 7.602 1.00 0.00 C ATOM 353 C ASP A 21 -9.028 -2.941 7.996 1.00 0.00 C ATOM 354 O ASP A 21 -8.821 -2.518 9.134 1.00 0.00 O ATOM 355 CB ASP A 21 -10.608 -4.871 8.204 1.00 0.00 C ATOM 356 CG ASP A 21 -12.065 -5.289 8.209 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.720 -5.171 7.153 1.00 0.00 O ATOM 358 OD2 ASP A 21 -12.551 -5.735 9.270 1.00 0.00 O ATOM 0 H ASP A 21 -10.202 -4.387 5.722 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.160 -2.802 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.026 -5.599 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.226 -4.882 9.225 1.00 0.00 H new ATOM 363 N MET A 22 -8.090 -2.958 7.051 1.00 0.00 N ATOM 364 CA MET A 22 -6.737 -2.472 7.302 1.00 0.00 C ATOM 365 C MET A 22 -6.758 -1.062 7.888 1.00 0.00 C ATOM 366 O MET A 22 -5.869 -0.683 8.649 1.00 0.00 O ATOM 367 CB MET A 22 -5.925 -2.484 6.005 1.00 0.00 C ATOM 368 CG MET A 22 -4.432 -2.305 6.219 1.00 0.00 C ATOM 369 SD MET A 22 -3.534 -3.867 6.188 1.00 0.00 S ATOM 370 CE MET A 22 -3.690 -4.314 4.460 1.00 0.00 C ATOM 0 H MET A 22 -8.244 -3.304 6.104 1.00 0.00 H new ATOM 0 HA MET A 22 -6.269 -3.137 8.028 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.098 -3.427 5.487 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.288 -1.690 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.035 -1.647 5.447 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.263 -1.812 7.176 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.327 -5.194 4.368 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.134 -3.485 3.908 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.704 -4.535 4.051 1.00 0.00 H new ATOM 380 N CYS A 23 -7.779 -0.291 7.528 1.00 0.00 N ATOM 381 CA CYS A 23 -7.915 1.076 8.018 1.00 0.00 C ATOM 382 C CYS A 23 -8.470 1.102 9.442 1.00 0.00 C ATOM 383 O CYS A 23 -8.439 2.138 10.107 1.00 0.00 O ATOM 384 CB CYS A 23 -8.826 1.883 7.090 1.00 0.00 C ATOM 385 SG CYS A 23 -10.503 1.223 6.944 1.00 0.00 S ATOM 0 H CYS A 23 -8.524 -0.590 6.899 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.923 1.527 8.030 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.881 2.909 7.455 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.375 1.921 6.099 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.453 0.011 6.476 1.00 0.00 H new ATOM 391 N ASN A 24 -8.977 -0.037 9.906 1.00 0.00 N ATOM 392 CA ASN A 24 -9.536 -0.131 11.249 1.00 0.00 C ATOM 393 C ASN A 24 -8.548 -0.786 12.209 1.00 0.00 C ATOM 394 O ASN A 24 -8.360 -0.322 13.333 1.00 0.00 O ATOM 395 CB ASN A 24 -10.844 -0.926 11.226 1.00 0.00 C ATOM 396 CG ASN A 24 -11.879 -0.365 12.180 1.00 0.00 C ATOM 397 OD1 ASN A 24 -11.570 0.473 13.027 1.00 0.00 O ATOM 398 ND2 ASN A 24 -13.117 -0.826 12.047 1.00 0.00 N ATOM 0 H ASN A 24 -9.012 -0.905 9.372 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.738 0.881 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.249 -0.925 10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.639 -1.964 11.486 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.857 -0.485 12.661 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.328 -1.521 11.331 1.00 0.00 H new ATOM 405 N VAL A 25 -7.920 -1.867 11.759 1.00 0.00 N ATOM 406 CA VAL A 25 -6.951 -2.585 12.578 1.00 0.00 C ATOM 407 C VAL A 25 -5.807 -1.671 13.007 1.00 0.00 C ATOM 408 O VAL A 25 -5.282 -1.794 14.115 1.00 0.00 O ATOM 409 CB VAL A 25 -6.369 -3.798 11.829 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.450 -4.836 11.571 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.719 -3.359 10.526 1.00 0.00 C ATOM 0 H VAL A 25 -8.065 -2.265 10.831 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.484 -2.935 13.462 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.602 -4.255 12.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.020 -5.686 11.041 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.865 -5.173 12.521 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.242 -4.394 10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.313 -4.229 10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.463 -2.876 9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.914 -2.656 10.740 1.00 0.00 H new ATOM 421 N GLY A 26 -5.425 -0.756 12.123 1.00 0.00 N ATOM 422 CA GLY A 26 -4.345 0.166 12.428 1.00 0.00 C ATOM 423 C GLY A 26 -3.112 -0.084 11.582 1.00 0.00 C ATOM 424 O GLY A 26 -1.996 0.238 11.991 1.00 0.00 O ATOM 0 H GLY A 26 -5.843 -0.636 11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.689 1.188 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.083 0.077 13.482 1.00 0.00 H new ATOM 428 N ALA A 27 -3.313 -0.659 10.401 1.00 0.00 N ATOM 429 CA ALA A 27 -2.207 -0.952 9.497 1.00 0.00 C ATOM 430 C ALA A 27 -2.035 0.160 8.466 1.00 0.00 C ATOM 431 O ALA A 27 -0.924 0.430 8.010 1.00 0.00 O ATOM 432 CB ALA A 27 -2.433 -2.288 8.805 1.00 0.00 C ATOM 0 H ALA A 27 -4.230 -0.931 10.048 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.291 -1.011 10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.600 -2.495 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.501 -3.078 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.360 -2.249 8.233 1.00 0.00 H new ATOM 438 N VAL A 28 -3.141 0.801 8.106 1.00 0.00 N ATOM 439 CA VAL A 28 -3.116 1.884 7.131 1.00 0.00 C ATOM 440 C VAL A 28 -2.505 3.147 7.729 1.00 0.00 C ATOM 441 O VAL A 28 -3.105 3.791 8.590 1.00 0.00 O ATOM 442 CB VAL A 28 -4.532 2.204 6.613 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.483 3.276 5.535 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.203 0.944 6.089 1.00 0.00 C ATOM 0 H VAL A 28 -4.068 0.589 8.476 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.500 1.547 6.297 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.123 2.588 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.493 3.486 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.046 4.186 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.875 2.926 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.202 1.187 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.612 0.530 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.277 0.210 6.892 1.00 0.00 H new ATOM 454 N TRP A 29 -1.308 3.494 7.268 1.00 0.00 N ATOM 455 CA TRP A 29 -0.614 4.681 7.758 1.00 0.00 C ATOM 456 C TRP A 29 0.094 5.403 6.616 1.00 0.00 C ATOM 457 O TRP A 29 1.077 4.905 6.067 1.00 0.00 O ATOM 458 CB TRP A 29 0.397 4.297 8.839 1.00 0.00 C ATOM 459 CG TRP A 29 -0.217 4.135 10.195 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.136 3.198 10.573 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.041 4.935 11.355 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.464 3.366 11.897 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.755 4.426 12.399 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.869 6.032 11.612 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.746 4.976 13.679 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.875 6.577 12.882 1.00 0.00 C ATOM 467 CH2 TRP A 29 0.073 6.049 13.901 1.00 0.00 C ATOM 0 H TRP A 29 -0.798 2.971 6.556 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.355 5.355 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.885 3.365 8.555 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.173 5.061 8.888 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.545 2.436 9.926 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.127 2.795 12.421 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.492 6.446 10.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.363 4.570 14.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.510 7.425 13.092 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.102 6.498 14.883 1.00 0.00 H new ATOM 478 N LEU A 30 -0.411 6.580 6.265 1.00 0.00 N ATOM 479 CA LEU A 30 0.172 7.373 5.189 1.00 0.00 C ATOM 480 C LEU A 30 1.071 8.472 5.747 1.00 0.00 C ATOM 481 O LEU A 30 0.610 9.364 6.459 1.00 0.00 O ATOM 482 CB LEU A 30 -0.931 7.989 4.325 1.00 0.00 C ATOM 483 CG LEU A 30 -0.454 8.614 3.013 1.00 0.00 C ATOM 484 CD1 LEU A 30 0.198 7.564 2.127 1.00 0.00 C ATOM 485 CD2 LEU A 30 -1.615 9.279 2.289 1.00 0.00 C ATOM 0 H LEU A 30 -1.224 7.007 6.710 1.00 0.00 H new ATOM 0 HA LEU A 30 0.780 6.711 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.665 7.217 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.444 8.754 4.908 1.00 0.00 H new ATOM 0 HG LEU A 30 0.290 9.376 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.531 8.027 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.055 7.132 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.524 6.779 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.259 9.719 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.381 8.535 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.038 10.060 2.921 1.00 0.00 H new ATOM 497 N ASN A 31 2.358 8.401 5.418 1.00 0.00 N ATOM 498 CA ASN A 31 3.322 9.390 5.885 1.00 0.00 C ATOM 499 C ASN A 31 3.385 9.413 7.409 1.00 0.00 C ATOM 500 O ASN A 31 3.462 10.478 8.022 1.00 0.00 O ATOM 501 CB ASN A 31 2.958 10.779 5.356 1.00 0.00 C ATOM 502 CG ASN A 31 4.161 11.695 5.258 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.528 12.364 6.225 1.00 0.00 O ATOM 504 ND2 ASN A 31 4.784 11.731 4.086 1.00 0.00 N ATOM 0 H ASN A 31 2.756 7.669 4.830 1.00 0.00 H new ATOM 0 HA ASN A 31 4.304 9.110 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.499 10.681 4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.214 11.231 6.012 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.600 12.329 3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.446 11.160 3.311 1.00 0.00 H new ATOM 511 N GLY A 32 3.350 8.231 8.016 1.00 0.00 N ATOM 512 CA GLY A 32 3.403 8.139 9.463 1.00 0.00 C ATOM 513 C GLY A 32 2.183 8.746 10.126 1.00 0.00 C ATOM 514 O GLY A 32 2.304 9.515 11.080 1.00 0.00 O ATOM 0 H GLY A 32 3.286 7.336 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.489 7.092 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.299 8.645 9.824 1.00 0.00 H new ATOM 518 N SER A 33 1.004 8.400 9.620 1.00 0.00 N ATOM 519 CA SER A 33 -0.245 8.917 10.170 1.00 0.00 C ATOM 520 C SER A 33 -1.410 7.990 9.841 1.00 0.00 C ATOM 521 O SER A 33 -1.555 7.535 8.707 1.00 0.00 O ATOM 522 CB SER A 33 -0.524 10.318 9.622 1.00 0.00 C ATOM 523 OG SER A 33 0.625 11.142 9.717 1.00 0.00 O ATOM 0 H SER A 33 0.887 7.765 8.831 1.00 0.00 H new ATOM 0 HA SER A 33 -0.142 8.970 11.254 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.840 10.248 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.347 10.771 10.175 1.00 0.00 H new ATOM 0 HG SER A 33 0.421 12.031 9.359 1.00 0.00 H new ATOM 529 N CYS A 34 -2.239 7.712 10.843 1.00 0.00 N ATOM 530 CA CYS A 34 -3.393 6.840 10.662 1.00 0.00 C ATOM 531 C CYS A 34 -4.336 7.402 9.604 1.00 0.00 C ATOM 532 O CYS A 34 -4.896 8.485 9.770 1.00 0.00 O ATOM 533 CB CYS A 34 -4.138 6.664 11.985 1.00 0.00 C ATOM 534 SG CYS A 34 -4.566 8.219 12.803 1.00 0.00 S ATOM 0 H CYS A 34 -2.132 8.079 11.789 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.034 5.868 10.324 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.052 6.098 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.523 6.068 12.660 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.955 9.084 11.914 1.00 0.00 H new ATOM 540 N ALA A 35 -4.508 6.657 8.516 1.00 0.00 N ATOM 541 CA ALA A 35 -5.383 7.082 7.431 1.00 0.00 C ATOM 542 C ALA A 35 -6.481 6.055 7.176 1.00 0.00 C ATOM 543 O ALA A 35 -6.241 4.849 7.233 1.00 0.00 O ATOM 544 CB ALA A 35 -4.575 7.320 6.164 1.00 0.00 C ATOM 0 H ALA A 35 -4.053 5.757 8.363 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.859 8.017 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.241 7.637 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.832 8.096 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.072 6.397 5.875 1.00 0.00 H new ATOM 550 N LYS A 36 -7.684 6.541 6.894 1.00 0.00 N ATOM 551 CA LYS A 36 -8.819 5.665 6.629 1.00 0.00 C ATOM 552 C LYS A 36 -8.619 4.896 5.325 1.00 0.00 C ATOM 553 O LYS A 36 -7.508 4.830 4.798 1.00 0.00 O ATOM 554 CB LYS A 36 -10.114 6.480 6.567 1.00 0.00 C ATOM 555 CG LYS A 36 -11.248 5.878 7.379 1.00 0.00 C ATOM 556 CD LYS A 36 -12.415 6.845 7.507 1.00 0.00 C ATOM 557 CE LYS A 36 -12.395 7.570 8.842 1.00 0.00 C ATOM 558 NZ LYS A 36 -13.764 7.935 9.297 1.00 0.00 N ATOM 0 H LYS A 36 -7.899 7.537 6.843 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.892 4.945 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.916 7.490 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.429 6.568 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.587 4.957 6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.885 5.611 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.376 7.573 6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.353 6.300 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.920 6.937 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.789 8.472 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.706 8.428 10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.208 8.560 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.336 7.073 9.404 1.00 0.00 H new ATOM 572 N ALA A 37 -9.699 4.316 4.811 1.00 0.00 N ATOM 573 CA ALA A 37 -9.639 3.553 3.571 1.00 0.00 C ATOM 574 C ALA A 37 -10.038 4.413 2.375 1.00 0.00 C ATOM 575 O ALA A 37 -10.518 3.900 1.363 1.00 0.00 O ATOM 576 CB ALA A 37 -10.535 2.328 3.664 1.00 0.00 C ATOM 0 H ALA A 37 -10.626 4.360 5.235 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.609 3.228 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.481 1.766 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.203 1.696 4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.564 2.642 3.840 1.00 0.00 H new ATOM 582 N SER A 38 -9.835 5.721 2.494 1.00 0.00 N ATOM 583 CA SER A 38 -10.173 6.649 1.421 1.00 0.00 C ATOM 584 C SER A 38 -9.195 7.818 1.384 1.00 0.00 C ATOM 585 O SER A 38 -9.552 8.927 0.985 1.00 0.00 O ATOM 586 CB SER A 38 -11.600 7.172 1.601 1.00 0.00 C ATOM 587 OG SER A 38 -12.457 6.159 2.098 1.00 0.00 O ATOM 0 H SER A 38 -9.438 6.162 3.323 1.00 0.00 H new ATOM 0 HA SER A 38 -10.106 6.111 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.596 8.018 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.979 7.538 0.647 1.00 0.00 H new ATOM 0 HG SER A 38 -13.362 6.520 2.205 1.00 0.00 H new ATOM 593 N LYS A 39 -7.960 7.564 1.804 1.00 0.00 N ATOM 594 CA LYS A 39 -6.932 8.599 1.818 1.00 0.00 C ATOM 595 C LYS A 39 -6.093 8.550 0.545 1.00 0.00 C ATOM 596 O LYS A 39 -5.350 7.595 0.315 1.00 0.00 O ATOM 597 CB LYS A 39 -6.031 8.433 3.043 1.00 0.00 C ATOM 598 CG LYS A 39 -5.542 9.752 3.620 1.00 0.00 C ATOM 599 CD LYS A 39 -6.410 10.209 4.783 1.00 0.00 C ATOM 600 CE LYS A 39 -5.568 10.752 5.926 1.00 0.00 C ATOM 601 NZ LYS A 39 -4.505 11.677 5.443 1.00 0.00 N ATOM 0 H LYS A 39 -7.647 6.653 2.139 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.427 9.569 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.576 7.888 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.170 7.823 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.511 9.643 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.545 10.514 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.102 10.979 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.013 9.374 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.211 11.276 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.110 9.923 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.290 12.375 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.647 11.133 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.835 12.169 4.588 1.00 0.00 H new ATOM 615 N GLU A 40 -6.217 9.585 -0.279 1.00 0.00 N ATOM 616 CA GLU A 40 -5.470 9.660 -1.529 1.00 0.00 C ATOM 617 C GLU A 40 -3.967 9.650 -1.266 1.00 0.00 C ATOM 618 O GLU A 40 -3.458 10.449 -0.481 1.00 0.00 O ATOM 619 CB GLU A 40 -5.855 10.924 -2.302 1.00 0.00 C ATOM 620 CG GLU A 40 -5.715 10.781 -3.809 1.00 0.00 C ATOM 621 CD GLU A 40 -5.966 12.083 -4.544 1.00 0.00 C ATOM 622 OE1 GLU A 40 -5.485 13.134 -4.071 1.00 0.00 O ATOM 623 OE2 GLU A 40 -6.644 12.051 -5.593 1.00 0.00 O ATOM 0 H GLU A 40 -6.827 10.383 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.722 8.785 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.886 11.185 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.230 11.751 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.713 10.422 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.416 10.026 -4.165 1.00 0.00 H new ATOM 630 N VAL A 41 -3.263 8.739 -1.931 1.00 0.00 N ATOM 631 CA VAL A 41 -1.818 8.624 -1.769 1.00 0.00 C ATOM 632 C VAL A 41 -1.080 9.400 -2.854 1.00 0.00 C ATOM 633 O VAL A 41 -1.619 9.639 -3.936 1.00 0.00 O ATOM 634 CB VAL A 41 -1.364 7.153 -1.809 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.891 6.398 -0.599 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.816 6.489 -3.101 1.00 0.00 C ATOM 0 H VAL A 41 -3.669 8.071 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.575 9.046 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.275 7.127 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.560 5.361 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.511 6.860 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.980 6.431 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.486 5.450 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.903 6.525 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.383 7.015 -3.952 1.00 0.00 H new ATOM 646 N LYS A 42 0.155 9.793 -2.558 1.00 0.00 N ATOM 647 CA LYS A 42 0.968 10.544 -3.509 1.00 0.00 C ATOM 648 C LYS A 42 2.307 9.852 -3.744 1.00 0.00 C ATOM 649 O LYS A 42 2.650 8.893 -3.055 1.00 0.00 O ATOM 650 CB LYS A 42 1.199 11.968 -3.001 1.00 0.00 C ATOM 651 CG LYS A 42 0.127 12.952 -3.440 1.00 0.00 C ATOM 652 CD LYS A 42 0.565 13.747 -4.659 1.00 0.00 C ATOM 653 CE LYS A 42 1.118 15.107 -4.266 1.00 0.00 C ATOM 654 NZ LYS A 42 1.256 16.012 -5.442 1.00 0.00 N ATOM 0 H LYS A 42 0.615 9.604 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 42 0.430 10.586 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.243 11.954 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.169 12.318 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.792 12.412 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.099 13.635 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.324 13.188 -5.206 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.282 13.878 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.460 15.567 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.090 14.980 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.636 16.929 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.904 15.585 -6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.324 16.154 -5.882 1.00 0.00 H new ATOM 668 N ALA A 43 3.059 10.345 -4.722 1.00 0.00 N ATOM 669 CA ALA A 43 4.360 9.775 -5.048 1.00 0.00 C ATOM 670 C ALA A 43 5.402 10.153 -4.000 1.00 0.00 C ATOM 671 O ALA A 43 5.257 11.153 -3.298 1.00 0.00 O ATOM 672 CB ALA A 43 4.807 10.233 -6.427 1.00 0.00 C ATOM 0 H ALA A 43 2.789 11.139 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 43 4.263 8.689 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.780 9.799 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.080 9.908 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.881 11.320 -6.443 1.00 0.00 H new ATOM 678 N GLY A 44 6.453 9.345 -3.899 1.00 0.00 N ATOM 679 CA GLY A 44 7.503 9.610 -2.934 1.00 0.00 C ATOM 680 C GLY A 44 6.985 9.647 -1.510 1.00 0.00 C ATOM 681 O GLY A 44 7.547 10.331 -0.655 1.00 0.00 O ATOM 0 H GLY A 44 6.596 8.511 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.272 8.842 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.977 10.563 -3.170 1.00 0.00 H new ATOM 685 N ASP A 45 5.908 8.910 -1.256 1.00 0.00 N ATOM 686 CA ASP A 45 5.313 8.861 0.075 1.00 0.00 C ATOM 687 C ASP A 45 5.671 7.559 0.784 1.00 0.00 C ATOM 688 O ASP A 45 6.173 6.621 0.166 1.00 0.00 O ATOM 689 CB ASP A 45 3.792 9.004 -0.019 1.00 0.00 C ATOM 690 CG ASP A 45 3.337 10.441 0.129 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.893 11.316 -0.568 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.423 10.694 0.942 1.00 0.00 O ATOM 0 H ASP A 45 5.430 8.339 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 45 5.714 9.691 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.452 8.615 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.324 8.396 0.755 1.00 0.00 H new ATOM 697 N THR A 46 5.411 7.511 2.087 1.00 0.00 N ATOM 698 CA THR A 46 5.706 6.326 2.882 1.00 0.00 C ATOM 699 C THR A 46 4.434 5.538 3.179 1.00 0.00 C ATOM 700 O THR A 46 3.418 6.106 3.579 1.00 0.00 O ATOM 701 CB THR A 46 6.390 6.725 4.191 1.00 0.00 C ATOM 702 OG1 THR A 46 7.574 7.457 3.934 1.00 0.00 O ATOM 703 CG2 THR A 46 6.762 5.540 5.055 1.00 0.00 C ATOM 0 H THR A 46 4.997 8.280 2.614 1.00 0.00 H new ATOM 0 HA THR A 46 6.378 5.690 2.306 1.00 0.00 H new ATOM 0 HB THR A 46 5.660 7.331 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.996 7.705 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.243 5.892 5.968 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.863 4.980 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.449 4.893 4.509 1.00 0.00 H new ATOM 711 N ILE A 47 4.499 4.226 2.982 1.00 0.00 N ATOM 712 CA ILE A 47 3.356 3.356 3.228 1.00 0.00 C ATOM 713 C ILE A 47 3.651 2.376 4.360 1.00 0.00 C ATOM 714 O ILE A 47 4.334 1.371 4.162 1.00 0.00 O ATOM 715 CB ILE A 47 2.968 2.567 1.960 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.687 3.529 0.805 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.756 1.685 2.227 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.482 4.414 1.037 1.00 0.00 C ATOM 0 H ILE A 47 5.333 3.741 2.652 1.00 0.00 H new ATOM 0 HA ILE A 47 2.521 3.996 3.514 1.00 0.00 H new ATOM 0 HB ILE A 47 3.803 1.924 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.563 4.157 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.535 2.953 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.498 1.137 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.988 0.979 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.913 2.307 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.342 5.070 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.595 3.794 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.640 5.016 1.932 1.00 0.00 H new ATOM 730 N SER A 48 3.134 2.678 5.547 1.00 0.00 N ATOM 731 CA SER A 48 3.345 1.825 6.711 1.00 0.00 C ATOM 732 C SER A 48 2.321 0.695 6.753 1.00 0.00 C ATOM 733 O SER A 48 1.198 0.841 6.269 1.00 0.00 O ATOM 734 CB SER A 48 3.266 2.653 7.995 1.00 0.00 C ATOM 735 OG SER A 48 4.510 2.656 8.676 1.00 0.00 O ATOM 0 H SER A 48 2.567 3.506 5.728 1.00 0.00 H new ATOM 0 HA SER A 48 4.339 1.384 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.977 3.676 7.755 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.492 2.247 8.646 1.00 0.00 H new ATOM 0 HG SER A 48 4.435 3.193 9.492 1.00 0.00 H new ATOM 741 N LEU A 49 2.717 -0.432 7.336 1.00 0.00 N ATOM 742 CA LEU A 49 1.837 -1.589 7.446 1.00 0.00 C ATOM 743 C LEU A 49 2.045 -2.302 8.778 1.00 0.00 C ATOM 744 O LEU A 49 3.178 -2.559 9.185 1.00 0.00 O ATOM 745 CB LEU A 49 2.089 -2.558 6.288 1.00 0.00 C ATOM 746 CG LEU A 49 1.220 -2.328 5.051 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.800 -3.055 3.848 1.00 0.00 C ATOM 748 CD2 LEU A 49 -0.209 -2.782 5.312 1.00 0.00 C ATOM 0 H LEU A 49 3.644 -0.568 7.740 1.00 0.00 H new ATOM 0 HA LEU A 49 0.806 -1.239 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.137 -2.486 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.926 -3.575 6.644 1.00 0.00 H new ATOM 0 HG LEU A 49 1.208 -1.260 4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.168 -2.880 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.805 -2.683 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.843 -4.124 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.814 -2.611 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.214 -3.844 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.624 -2.216 6.146 1.00 0.00 H new ATOM 760 N HIS A 50 0.946 -2.617 9.454 1.00 0.00 N ATOM 761 CA HIS A 50 1.010 -3.299 10.742 1.00 0.00 C ATOM 762 C HIS A 50 0.959 -4.812 10.563 1.00 0.00 C ATOM 763 O HIS A 50 0.057 -5.341 9.913 1.00 0.00 O ATOM 764 CB HIS A 50 -0.137 -2.840 11.644 1.00 0.00 C ATOM 765 CG HIS A 50 -0.063 -3.394 13.033 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.017 -3.193 13.868 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.944 -4.146 13.735 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.798 -3.798 15.022 1.00 0.00 C ATOM 769 NE2 HIS A 50 -0.384 -4.383 14.967 1.00 0.00 N ATOM 0 H HIS A 50 0.000 -2.411 9.132 1.00 0.00 H new ATOM 0 HA HIS A 50 1.959 -3.041 11.213 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.135 -1.751 11.695 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.084 -3.136 11.193 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.907 -4.494 13.391 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.471 -3.812 15.866 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.813 -4.924 15.718 1.00 0.00 H new ATOM 778 N TYR A 51 1.933 -5.504 11.143 1.00 0.00 N ATOM 779 CA TYR A 51 2.001 -6.958 11.051 1.00 0.00 C ATOM 780 C TYR A 51 2.395 -7.570 12.390 1.00 0.00 C ATOM 781 O TYR A 51 2.559 -6.862 13.383 1.00 0.00 O ATOM 782 CB TYR A 51 3.002 -7.375 9.971 1.00 0.00 C ATOM 783 CG TYR A 51 2.412 -7.413 8.580 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.032 -6.243 7.934 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.233 -8.618 7.914 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.491 -6.274 6.663 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.693 -8.657 6.642 1.00 0.00 C ATOM 788 CZ TYR A 51 1.324 -7.483 6.022 1.00 0.00 C ATOM 789 OH TYR A 51 0.786 -7.518 4.755 1.00 0.00 O ATOM 0 H TYR A 51 2.688 -5.081 11.683 1.00 0.00 H new ATOM 0 HA TYR A 51 1.011 -7.327 10.781 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.843 -6.682 9.981 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.398 -8.361 10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.162 -5.294 8.433 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.520 -9.540 8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.200 -5.356 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.561 -9.602 6.137 1.00 0.00 H new ATOM 0 HH TYR A 51 0.737 -8.447 4.446 1.00 0.00 H new ATOM 799 N LEU A 52 2.548 -8.890 12.410 1.00 0.00 N ATOM 800 CA LEU A 52 2.925 -9.597 13.629 1.00 0.00 C ATOM 801 C LEU A 52 4.434 -9.539 13.844 1.00 0.00 C ATOM 802 O LEU A 52 4.904 -9.253 14.945 1.00 0.00 O ATOM 803 CB LEU A 52 2.464 -11.055 13.563 1.00 0.00 C ATOM 804 CG LEU A 52 1.082 -11.269 12.944 1.00 0.00 C ATOM 805 CD1 LEU A 52 0.819 -12.751 12.725 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.003 -10.660 13.828 1.00 0.00 C ATOM 0 H LEU A 52 2.417 -9.491 11.597 1.00 0.00 H new ATOM 0 HA LEU A 52 2.435 -9.107 14.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.195 -11.626 12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.461 -11.465 14.573 1.00 0.00 H new ATOM 0 HG LEU A 52 1.057 -10.769 11.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.169 -12.884 12.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.574 -13.159 12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.863 -13.273 13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.974 -10.821 13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.028 -11.132 14.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.181 -9.590 13.935 1.00 0.00 H new ATOM 818 N LYS A 53 5.187 -9.810 12.783 1.00 0.00 N ATOM 819 CA LYS A 53 6.643 -9.786 12.853 1.00 0.00 C ATOM 820 C LYS A 53 7.154 -8.368 13.092 1.00 0.00 C ATOM 821 O LYS A 53 8.226 -8.173 13.664 1.00 0.00 O ATOM 822 CB LYS A 53 7.247 -10.347 11.564 1.00 0.00 C ATOM 823 CG LYS A 53 6.637 -9.760 10.301 1.00 0.00 C ATOM 824 CD LYS A 53 7.574 -9.900 9.111 1.00 0.00 C ATOM 825 CE LYS A 53 7.991 -8.545 8.563 1.00 0.00 C ATOM 826 NZ LYS A 53 9.440 -8.506 8.219 1.00 0.00 N ATOM 0 H LYS A 53 4.813 -10.049 11.865 1.00 0.00 H new ATOM 0 HA LYS A 53 6.951 -10.410 13.692 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.320 -10.156 11.562 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.116 -11.429 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.694 -10.262 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.407 -8.707 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.460 -10.461 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.082 -10.475 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.401 -8.315 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.772 -7.772 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.684 -7.565 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.004 -8.700 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.645 -9.226 7.497 1.00 0.00 H new ATOM 840 N GLY A 54 6.380 -7.382 12.650 1.00 0.00 N ATOM 841 CA GLY A 54 6.772 -5.996 12.827 1.00 0.00 C ATOM 842 C GLY A 54 6.180 -5.086 11.769 1.00 0.00 C ATOM 843 O GLY A 54 5.100 -5.354 11.244 1.00 0.00 O ATOM 0 H GLY A 54 5.489 -7.518 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.456 -5.655 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.859 -5.923 12.798 1.00 0.00 H new ATOM 847 N ILE A 55 6.889 -4.007 11.455 1.00 0.00 N ATOM 848 CA ILE A 55 6.428 -3.053 10.452 1.00 0.00 C ATOM 849 C ILE A 55 7.342 -3.055 9.232 1.00 0.00 C ATOM 850 O ILE A 55 8.566 -3.016 9.362 1.00 0.00 O ATOM 851 CB ILE A 55 6.357 -1.625 11.024 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.631 -1.626 12.371 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.663 -0.695 10.042 1.00 0.00 C ATOM 854 CD1 ILE A 55 4.205 -2.124 12.288 1.00 0.00 C ATOM 0 H ILE A 55 7.785 -3.771 11.881 1.00 0.00 H new ATOM 0 HA ILE A 55 5.427 -3.366 10.154 1.00 0.00 H new ATOM 0 HB ILE A 55 7.373 -1.262 11.181 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.185 -2.250 13.073 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.631 -0.614 12.775 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.621 0.310 10.461 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.219 -0.675 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.651 -1.053 9.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.752 -2.097 13.279 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.636 -1.486 11.612 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.198 -3.148 11.914 1.00 0.00 H new ATOM 866 N GLU A 56 6.741 -3.100 8.048 1.00 0.00 N ATOM 867 CA GLU A 56 7.503 -3.105 6.804 1.00 0.00 C ATOM 868 C GLU A 56 7.887 -1.687 6.395 1.00 0.00 C ATOM 869 O GLU A 56 9.053 -1.402 6.125 1.00 0.00 O ATOM 870 CB GLU A 56 6.693 -3.769 5.689 1.00 0.00 C ATOM 871 CG GLU A 56 6.876 -5.277 5.620 1.00 0.00 C ATOM 872 CD GLU A 56 5.830 -6.027 6.420 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.728 -6.265 5.881 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.112 -6.378 7.585 1.00 0.00 O ATOM 0 H GLU A 56 5.729 -3.134 7.923 1.00 0.00 H new ATOM 0 HA GLU A 56 8.417 -3.675 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.636 -3.546 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.981 -3.332 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.831 -5.598 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.867 -5.537 5.991 1.00 0.00 H new ATOM 881 N GLU A 57 6.896 -0.802 6.351 1.00 0.00 N ATOM 882 CA GLU A 57 7.129 0.587 5.976 1.00 0.00 C ATOM 883 C GLU A 57 7.685 0.684 4.559 1.00 0.00 C ATOM 884 O GLU A 57 8.900 0.685 4.356 1.00 0.00 O ATOM 885 CB GLU A 57 8.093 1.250 6.962 1.00 0.00 C ATOM 886 CG GLU A 57 7.951 2.762 7.028 1.00 0.00 C ATOM 887 CD GLU A 57 8.947 3.399 7.977 1.00 0.00 C ATOM 888 OE1 GLU A 57 10.066 3.729 7.530 1.00 0.00 O ATOM 889 OE2 GLU A 57 8.608 3.571 9.167 1.00 0.00 O ATOM 0 H GLU A 57 5.925 -1.023 6.570 1.00 0.00 H new ATOM 0 HA GLU A 57 6.173 1.109 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.926 0.834 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.116 1.001 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.086 3.180 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.939 3.015 7.345 1.00 0.00 H new ATOM 896 N TYR A 58 6.789 0.766 3.581 1.00 0.00 N ATOM 897 CA TYR A 58 7.188 0.866 2.184 1.00 0.00 C ATOM 898 C TYR A 58 7.301 2.325 1.755 1.00 0.00 C ATOM 899 O TYR A 58 7.070 3.235 2.550 1.00 0.00 O ATOM 900 CB TYR A 58 6.184 0.136 1.288 1.00 0.00 C ATOM 901 CG TYR A 58 5.999 -1.322 1.639 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.306 -1.699 2.783 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.516 -2.324 0.827 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.133 -3.032 3.106 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.348 -3.659 1.144 1.00 0.00 C ATOM 906 CZ TYR A 58 5.656 -4.007 2.284 1.00 0.00 C ATOM 907 OH TYR A 58 5.486 -5.334 2.602 1.00 0.00 O ATOM 0 H TYR A 58 5.780 0.765 3.732 1.00 0.00 H new ATOM 0 HA TYR A 58 8.166 0.396 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.220 0.641 1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.514 0.211 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.896 -0.938 3.430 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.059 -2.055 -0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.591 -3.308 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.757 -4.425 0.502 1.00 0.00 H new ATOM 0 HH TYR A 58 5.914 -5.891 1.919 1.00 0.00 H new ATOM 917 N THR A 59 7.658 2.539 0.494 1.00 0.00 N ATOM 918 CA THR A 59 7.801 3.889 -0.042 1.00 0.00 C ATOM 919 C THR A 59 7.325 3.954 -1.490 1.00 0.00 C ATOM 920 O THR A 59 7.817 3.221 -2.347 1.00 0.00 O ATOM 921 CB THR A 59 9.260 4.343 0.046 1.00 0.00 C ATOM 922 OG1 THR A 59 9.721 4.292 1.385 1.00 0.00 O ATOM 923 CG2 THR A 59 9.480 5.751 -0.463 1.00 0.00 C ATOM 0 H THR A 59 7.854 1.796 -0.177 1.00 0.00 H new ATOM 0 HA THR A 59 7.181 4.557 0.556 1.00 0.00 H new ATOM 0 HB THR A 59 9.816 3.654 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.698 5.191 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.535 6.010 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.180 5.811 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.883 6.448 0.126 1.00 0.00 H new ATOM 931 N ILE A 60 6.368 4.836 -1.754 1.00 0.00 N ATOM 932 CA ILE A 60 5.828 4.996 -3.099 1.00 0.00 C ATOM 933 C ILE A 60 6.808 5.749 -3.994 1.00 0.00 C ATOM 934 O ILE A 60 7.218 6.866 -3.682 1.00 0.00 O ATOM 935 CB ILE A 60 4.485 5.751 -3.080 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.521 5.099 -2.087 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.876 5.783 -4.475 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.715 6.097 -1.285 1.00 0.00 C ATOM 0 H ILE A 60 5.950 5.451 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 60 5.666 3.995 -3.498 1.00 0.00 H new ATOM 0 HB ILE A 60 4.667 6.777 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.838 4.446 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.088 4.468 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.928 6.320 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.558 6.289 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.705 4.764 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.053 5.565 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.390 6.735 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.121 6.712 -1.961 1.00 0.00 H new ATOM 950 N LEU A 61 7.176 5.127 -5.108 1.00 0.00 N ATOM 951 CA LEU A 61 8.106 5.735 -6.052 1.00 0.00 C ATOM 952 C LEU A 61 7.366 6.584 -7.084 1.00 0.00 C ATOM 953 O LEU A 61 7.956 7.462 -7.713 1.00 0.00 O ATOM 954 CB LEU A 61 8.926 4.652 -6.756 1.00 0.00 C ATOM 955 CG LEU A 61 9.685 3.706 -5.825 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.439 2.658 -6.628 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.641 4.488 -4.936 1.00 0.00 C ATOM 0 H LEU A 61 6.844 4.201 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 61 8.777 6.387 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.257 4.061 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.642 5.135 -7.421 1.00 0.00 H new ATOM 0 HG LEU A 61 8.962 3.196 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.973 1.994 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.733 2.078 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.152 3.150 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.173 3.799 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.358 5.025 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.077 5.201 -4.334 1.00 0.00 H new ATOM 969 N GLN A 62 6.074 6.318 -7.256 1.00 0.00 N ATOM 970 CA GLN A 62 5.264 7.062 -8.214 1.00 0.00 C ATOM 971 C GLN A 62 3.799 6.641 -8.136 1.00 0.00 C ATOM 972 O GLN A 62 3.445 5.719 -7.402 1.00 0.00 O ATOM 973 CB GLN A 62 5.794 6.851 -9.634 1.00 0.00 C ATOM 974 CG GLN A 62 5.816 8.120 -10.469 1.00 0.00 C ATOM 975 CD GLN A 62 6.705 7.999 -11.691 1.00 0.00 C ATOM 976 OE1 GLN A 62 6.404 7.249 -12.621 1.00 0.00 O ATOM 977 NE2 GLN A 62 7.809 8.737 -11.695 1.00 0.00 N ATOM 0 H GLN A 62 5.567 5.595 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 62 5.331 8.120 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.804 6.444 -9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.177 6.106 -10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.801 8.360 -10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.163 8.950 -9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.019 9.345 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.447 8.696 -12.490 1.00 0.00 H new ATOM 986 N ILE A 63 2.952 7.323 -8.901 1.00 0.00 N ATOM 987 CA ILE A 63 1.526 7.024 -8.922 1.00 0.00 C ATOM 988 C ILE A 63 1.032 6.803 -10.349 1.00 0.00 C ATOM 989 O ILE A 63 0.576 7.740 -11.007 1.00 0.00 O ATOM 990 CB ILE A 63 0.706 8.157 -8.278 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.297 8.537 -6.920 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.749 7.739 -8.130 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.256 7.415 -5.906 1.00 0.00 C ATOM 0 H ILE A 63 3.230 8.088 -9.516 1.00 0.00 H new ATOM 0 HA ILE A 63 1.385 6.110 -8.345 1.00 0.00 H new ATOM 0 HB ILE A 63 0.749 9.031 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.331 8.852 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.753 9.394 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.316 8.550 -7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.165 7.514 -9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.811 6.853 -7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.692 7.757 -4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.222 7.114 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.825 6.564 -6.281 1.00 0.00 H new ATOM 1005 N PRO A 64 1.114 5.558 -10.848 1.00 0.00 N ATOM 1006 CA PRO A 64 0.669 5.222 -12.205 1.00 0.00 C ATOM 1007 C PRO A 64 -0.823 5.465 -12.407 1.00 0.00 C ATOM 1008 O PRO A 64 -1.305 5.519 -13.538 1.00 0.00 O ATOM 1009 CB PRO A 64 0.995 3.729 -12.339 1.00 0.00 C ATOM 1010 CG PRO A 64 1.117 3.230 -10.939 1.00 0.00 C ATOM 1011 CD PRO A 64 1.642 4.383 -10.134 1.00 0.00 C ATOM 0 HA PRO A 64 1.160 5.843 -12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.209 3.201 -12.878 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.921 3.576 -12.894 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.152 2.896 -10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.793 2.377 -10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.291 4.347 -9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.731 4.388 -10.100 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.548 5.613 -11.304 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.985 5.853 -11.358 1.00 0.00 C ATOM 1021 C ALA A 65 -3.711 4.702 -12.045 1.00 0.00 C ATOM 1022 O ALA A 65 -4.631 4.917 -12.834 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.272 7.164 -12.075 1.00 0.00 C ATOM 0 H ALA A 65 -1.163 5.571 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.356 5.920 -10.335 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.348 7.332 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.793 7.984 -11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.880 7.116 -13.091 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.294 3.478 -11.738 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.911 2.293 -12.327 1.00 0.00 C ATOM 1031 C LEU A 66 -4.874 1.635 -11.344 1.00 0.00 C ATOM 1032 O LEU A 66 -4.888 1.965 -10.158 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.841 1.289 -12.762 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.623 1.196 -11.842 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -2.054 0.880 -10.418 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -0.648 0.146 -12.352 1.00 0.00 C ATOM 0 H LEU A 66 -2.534 3.280 -11.087 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.475 2.610 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.299 0.302 -12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.501 1.555 -13.763 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.117 2.161 -11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.175 0.817 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.713 1.668 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.584 -0.072 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.212 0.094 -11.685 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.142 -0.825 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.314 0.416 -13.354 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.681 0.704 -11.846 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.650 0.001 -11.012 1.00 0.00 C ATOM 1050 C LYS A 67 -5.992 -1.151 -10.257 1.00 0.00 C ATOM 1051 O LYS A 67 -6.341 -1.433 -9.111 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.806 -0.526 -11.865 1.00 0.00 C ATOM 1053 CG LYS A 67 -7.356 -1.352 -13.062 1.00 0.00 C ATOM 1054 CD LYS A 67 -7.840 -2.791 -12.967 1.00 0.00 C ATOM 1055 CE LYS A 67 -8.411 -3.276 -14.290 1.00 0.00 C ATOM 1056 NZ LYS A 67 -7.348 -3.774 -15.205 1.00 0.00 N ATOM 0 H LYS A 67 -5.683 0.419 -12.826 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.041 0.711 -10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.459 -1.135 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.399 0.318 -12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.735 -0.900 -13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.268 -1.338 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.013 -3.435 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.601 -2.869 -12.191 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.132 -4.072 -14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.952 -2.462 -14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.779 -4.095 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.674 -3.008 -15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.848 -4.568 -14.756 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.039 -1.813 -10.905 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.336 -2.933 -10.290 1.00 0.00 C ATOM 1072 C ASN A 68 -2.965 -3.134 -10.929 1.00 0.00 C ATOM 1073 O ASN A 68 -2.828 -3.102 -12.152 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.166 -4.214 -10.413 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.812 -4.610 -9.101 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -6.095 -3.764 -8.253 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.052 -5.905 -8.926 1.00 0.00 N ATOM 0 H ASN A 68 -4.736 -1.594 -11.854 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.192 -2.703 -9.234 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.940 -4.072 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.527 -5.026 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.487 -6.231 -8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.802 -6.573 -9.655 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.953 -3.344 -10.093 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.593 -3.550 -10.576 1.00 0.00 C ATOM 1086 C VAL A 69 -0.259 -5.040 -10.652 1.00 0.00 C ATOM 1087 O VAL A 69 -0.260 -5.732 -9.633 1.00 0.00 O ATOM 1088 CB VAL A 69 0.442 -2.853 -9.670 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.805 -2.823 -10.344 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.015 -1.446 -9.309 1.00 0.00 C ATOM 0 H VAL A 69 -2.049 -3.376 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.543 -3.113 -11.573 1.00 0.00 H new ATOM 0 HB VAL A 69 0.529 -3.425 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.523 -2.328 -9.691 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.136 -3.843 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.734 -2.277 -11.285 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.731 -0.974 -8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.137 -0.858 -10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.967 -1.497 -8.780 1.00 0.00 H new ATOM 1100 N PRO A 70 0.032 -5.557 -11.859 1.00 0.00 N ATOM 1101 CA PRO A 70 0.366 -6.973 -12.048 1.00 0.00 C ATOM 1102 C PRO A 70 1.680 -7.350 -11.370 1.00 0.00 C ATOM 1103 O PRO A 70 2.216 -6.587 -10.566 1.00 0.00 O ATOM 1104 CB PRO A 70 0.488 -7.118 -13.567 1.00 0.00 C ATOM 1105 CG PRO A 70 0.780 -5.743 -14.060 1.00 0.00 C ATOM 1106 CD PRO A 70 0.060 -4.810 -13.130 1.00 0.00 C ATOM 0 HA PRO A 70 -0.384 -7.629 -11.607 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.285 -7.812 -13.835 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.433 -7.507 -14.002 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.852 -5.547 -14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.435 -5.615 -15.086 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.584 -3.860 -13.027 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.945 -4.583 -13.486 1.00 0.00 H new ATOM 1114 N ARG A 71 2.194 -8.530 -11.701 1.00 0.00 N ATOM 1115 CA ARG A 71 3.445 -9.005 -11.123 1.00 0.00 C ATOM 1116 C ARG A 71 4.618 -8.715 -12.054 1.00 0.00 C ATOM 1117 O ARG A 71 5.536 -9.525 -12.184 1.00 0.00 O ATOM 1118 CB ARG A 71 3.363 -10.506 -10.839 1.00 0.00 C ATOM 1119 CG ARG A 71 4.177 -10.942 -9.632 1.00 0.00 C ATOM 1120 CD ARG A 71 4.853 -12.282 -9.869 1.00 0.00 C ATOM 1121 NE ARG A 71 3.883 -13.359 -10.053 1.00 0.00 N ATOM 1122 CZ ARG A 71 4.196 -14.652 -10.028 1.00 0.00 C ATOM 1123 NH1 ARG A 71 5.452 -15.035 -9.826 1.00 0.00 N ATOM 1124 NH2 ARG A 71 3.252 -15.567 -10.205 1.00 0.00 N ATOM 0 H ARG A 71 1.764 -9.174 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 71 3.608 -8.474 -10.185 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.320 -10.781 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.708 -11.053 -11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.931 -10.187 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.527 -11.011 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.492 -12.215 -10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.499 -12.517 -9.023 1.00 0.00 H new ATOM 0 HE ARG A 71 2.908 -13.105 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.182 -14.336 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.686 -16.028 -9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.286 -15.279 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.492 -16.558 -10.186 1.00 0.00 H new ATOM 1138 N LYS A 72 4.581 -7.553 -12.698 1.00 0.00 N ATOM 1139 CA LYS A 72 5.640 -7.153 -13.616 1.00 0.00 C ATOM 1140 C LYS A 72 6.091 -5.723 -13.339 1.00 0.00 C ATOM 1141 O LYS A 72 7.287 -5.438 -13.284 1.00 0.00 O ATOM 1142 CB LYS A 72 5.161 -7.278 -15.064 1.00 0.00 C ATOM 1143 CG LYS A 72 6.292 -7.296 -16.079 1.00 0.00 C ATOM 1144 CD LYS A 72 5.972 -8.206 -17.254 1.00 0.00 C ATOM 1145 CE LYS A 72 6.645 -9.561 -17.109 1.00 0.00 C ATOM 1146 NZ LYS A 72 7.947 -9.616 -17.831 1.00 0.00 N ATOM 0 H LYS A 72 3.828 -6.872 -12.601 1.00 0.00 H new ATOM 0 HA LYS A 72 6.490 -7.818 -13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.577 -8.192 -15.167 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.494 -6.446 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.474 -6.284 -16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.210 -7.632 -15.597 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.893 -8.341 -17.328 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.298 -7.734 -18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.807 -9.775 -16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.984 -10.338 -17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.373 -10.556 -17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.790 -9.438 -18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.588 -8.892 -17.447 1.00 0.00 H new ATOM 1160 N ASP A 73 5.125 -4.825 -13.170 1.00 0.00 N ATOM 1161 CA ASP A 73 5.424 -3.423 -12.899 1.00 0.00 C ATOM 1162 C ASP A 73 5.101 -3.062 -11.452 1.00 0.00 C ATOM 1163 O ASP A 73 4.819 -1.905 -11.141 1.00 0.00 O ATOM 1164 CB ASP A 73 4.634 -2.521 -13.849 1.00 0.00 C ATOM 1165 CG ASP A 73 5.304 -2.383 -15.203 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.268 -1.597 -15.311 1.00 0.00 O ATOM 1167 OD2 ASP A 73 4.861 -3.059 -16.156 1.00 0.00 O ATOM 0 H ASP A 73 4.130 -5.043 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 73 6.491 -3.269 -13.061 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.631 -2.927 -13.982 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.521 -1.534 -13.400 1.00 0.00 H new ATOM 1172 N THR A 74 5.143 -4.058 -10.572 1.00 0.00 N ATOM 1173 CA THR A 74 4.856 -3.839 -9.159 1.00 0.00 C ATOM 1174 C THR A 74 6.143 -3.780 -8.343 1.00 0.00 C ATOM 1175 O THR A 74 6.156 -4.123 -7.161 1.00 0.00 O ATOM 1176 CB THR A 74 3.949 -4.950 -8.623 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.569 -4.684 -7.284 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.595 -6.318 -8.654 1.00 0.00 C ATOM 0 H THR A 74 5.373 -5.022 -10.812 1.00 0.00 H new ATOM 0 HA THR A 74 4.343 -2.882 -9.063 1.00 0.00 H new ATOM 0 HB THR A 74 3.083 -4.961 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.365 -4.471 -6.754 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.898 -7.058 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.855 -6.574 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.497 -6.308 -8.043 1.00 0.00 H new ATOM 1186 N HIS A 75 7.224 -3.340 -8.979 1.00 0.00 N ATOM 1187 CA HIS A 75 8.516 -3.237 -8.309 1.00 0.00 C ATOM 1188 C HIS A 75 9.183 -1.891 -8.594 1.00 0.00 C ATOM 1189 O HIS A 75 10.355 -1.692 -8.273 1.00 0.00 O ATOM 1190 CB HIS A 75 9.434 -4.378 -8.751 1.00 0.00 C ATOM 1191 CG HIS A 75 9.621 -4.457 -10.234 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.257 -3.478 -10.967 1.00 0.00 N ATOM 1193 CD2 HIS A 75 9.251 -5.410 -11.123 1.00 0.00 C ATOM 1194 CE1 HIS A 75 10.270 -3.824 -12.243 1.00 0.00 C ATOM 1195 NE2 HIS A 75 9.667 -4.991 -12.363 1.00 0.00 N ATOM 0 H HIS A 75 7.231 -3.049 -9.957 1.00 0.00 H new ATOM 0 HA HIS A 75 8.343 -3.310 -7.235 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.408 -4.254 -8.277 1.00 0.00 H new ATOM 0 HB3 HIS A 75 9.023 -5.323 -8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.727 -6.327 -10.899 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.701 -3.249 -13.049 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.531 -5.500 -13.236 1.00 0.00 H new ATOM 1204 N LEU A 76 8.435 -0.969 -9.195 1.00 0.00 N ATOM 1205 CA LEU A 76 8.962 0.353 -9.516 1.00 0.00 C ATOM 1206 C LEU A 76 8.063 1.460 -8.966 1.00 0.00 C ATOM 1207 O LEU A 76 8.327 2.644 -9.175 1.00 0.00 O ATOM 1208 CB LEU A 76 9.113 0.509 -11.032 1.00 0.00 C ATOM 1209 CG LEU A 76 10.511 0.211 -11.576 1.00 0.00 C ATOM 1210 CD1 LEU A 76 10.505 0.223 -13.096 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.516 1.219 -11.037 1.00 0.00 C ATOM 0 H LEU A 76 7.463 -1.114 -9.469 1.00 0.00 H new ATOM 0 HA LEU A 76 9.940 0.445 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.400 -0.153 -11.523 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.843 1.529 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 76 10.807 -0.784 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.508 0.009 -13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.814 -0.535 -13.463 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.189 1.204 -13.451 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.506 0.993 -11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.223 2.224 -11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.540 1.163 -9.949 1.00 0.00 H new ATOM 1223 N TYR A 77 7.000 1.073 -8.263 1.00 0.00 N ATOM 1224 CA TYR A 77 6.070 2.040 -7.689 1.00 0.00 C ATOM 1225 C TYR A 77 6.118 2.014 -6.163 1.00 0.00 C ATOM 1226 O TYR A 77 5.733 2.981 -5.506 1.00 0.00 O ATOM 1227 CB TYR A 77 4.647 1.755 -8.172 1.00 0.00 C ATOM 1228 CG TYR A 77 4.468 1.926 -9.663 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.850 3.102 -10.297 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.916 0.914 -10.437 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.688 3.263 -11.659 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.752 1.067 -11.800 1.00 0.00 C ATOM 1233 CZ TYR A 77 4.138 2.243 -12.406 1.00 0.00 C ATOM 1234 OH TYR A 77 3.976 2.400 -13.764 1.00 0.00 O ATOM 0 H TYR A 77 6.763 0.098 -8.078 1.00 0.00 H new ATOM 0 HA TYR A 77 6.370 3.034 -8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.376 0.736 -7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.956 2.420 -7.653 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.281 3.903 -9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.610 -0.008 -9.966 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.991 4.183 -12.137 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.323 0.269 -12.388 1.00 0.00 H new ATOM 0 HH TYR A 77 3.576 1.589 -14.142 1.00 0.00 H new ATOM 1244 N ILE A 78 6.591 0.903 -5.603 1.00 0.00 N ATOM 1245 CA ILE A 78 6.686 0.761 -4.155 1.00 0.00 C ATOM 1246 C ILE A 78 7.765 -0.249 -3.774 1.00 0.00 C ATOM 1247 O ILE A 78 7.881 -1.310 -4.386 1.00 0.00 O ATOM 1248 CB ILE A 78 5.340 0.321 -3.544 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.439 0.252 -2.018 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.912 -1.023 -4.114 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.099 0.334 -1.322 1.00 0.00 C ATOM 0 H ILE A 78 6.913 0.091 -6.129 1.00 0.00 H new ATOM 0 HA ILE A 78 6.952 1.739 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 78 4.584 1.062 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.930 -0.679 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.073 1.066 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.960 -1.319 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.800 -0.941 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.668 -1.773 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.245 0.279 -0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.615 1.277 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.470 -0.495 -1.646 1.00 0.00 H new ATOM 1263 N ALA A 79 8.553 0.090 -2.758 1.00 0.00 N ATOM 1264 CA ALA A 79 9.622 -0.787 -2.296 1.00 0.00 C ATOM 1265 C ALA A 79 9.741 -0.752 -0.772 1.00 0.00 C ATOM 1266 O ALA A 79 9.675 0.317 -0.164 1.00 0.00 O ATOM 1267 CB ALA A 79 10.943 -0.391 -2.939 1.00 0.00 C ATOM 0 H ALA A 79 8.471 0.965 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 79 9.377 -1.807 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.733 -1.054 -2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.859 -0.472 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.185 0.637 -2.670 1.00 0.00 H new ATOM 1273 N PRO A 80 9.919 -1.921 -0.131 1.00 0.00 N ATOM 1274 CA PRO A 80 10.045 -2.008 1.329 1.00 0.00 C ATOM 1275 C PRO A 80 11.200 -1.167 1.862 1.00 0.00 C ATOM 1276 O PRO A 80 12.354 -1.366 1.482 1.00 0.00 O ATOM 1277 CB PRO A 80 10.313 -3.496 1.585 1.00 0.00 C ATOM 1278 CG PRO A 80 9.799 -4.195 0.375 1.00 0.00 C ATOM 1279 CD PRO A 80 10.009 -3.246 -0.771 1.00 0.00 C ATOM 0 HA PRO A 80 9.155 -1.630 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.377 -3.686 1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.803 -3.839 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.332 -5.131 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.744 -4.444 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.977 -3.398 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.250 -3.373 -1.543 1.00 0.00 H new ATOM 1287 N LYS A 81 10.883 -0.228 2.748 1.00 0.00 N ATOM 1288 CA LYS A 81 11.896 0.643 3.336 1.00 0.00 C ATOM 1289 C LYS A 81 11.976 0.439 4.846 1.00 0.00 C ATOM 1290 O LYS A 81 11.072 0.832 5.584 1.00 0.00 O ATOM 1291 CB LYS A 81 11.587 2.108 3.023 1.00 0.00 C ATOM 1292 CG LYS A 81 12.619 3.078 3.575 1.00 0.00 C ATOM 1293 CD LYS A 81 12.129 4.516 3.504 1.00 0.00 C ATOM 1294 CE LYS A 81 12.802 5.279 2.374 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.212 6.634 2.191 1.00 0.00 N ATOM 0 H LYS A 81 9.933 -0.050 3.075 1.00 0.00 H new ATOM 0 HA LYS A 81 12.860 0.383 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.523 2.234 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.608 2.360 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.845 2.820 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.548 2.981 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.049 4.527 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.328 5.017 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.868 5.372 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.707 4.713 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.698 7.122 1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.200 6.545 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.325 7.183 3.067 1.00 0.00 H new