USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 124:sc= 0.931 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.889 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -143:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.887 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0232 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= 2.32 (180deg=1.45) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -149:sc= 1.14 (180deg=-0.0262) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 2.21 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 1.23 (180deg=0.624) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00146 K(o=-0.0015,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.265 K(o=0.26,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.796 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 86:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0851 K(o=0.085,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.476 -7.038 -4.897 1.00 9.67 N ATOM 2 CA MET A 1 11.416 -7.116 -3.418 1.00 10.38 C ATOM 3 C MET A 1 10.073 -7.683 -2.917 1.00 9.62 C ATOM 4 O MET A 1 9.065 -7.390 -3.535 1.00 9.62 O ATOM 5 CB MET A 1 12.029 -5.932 -2.666 1.00 13.77 C ATOM 6 CG MET A 1 11.129 -4.815 -2.187 1.00 16.29 C ATOM 7 SD MET A 1 11.883 -3.393 -1.370 1.00 17.17 S ATOM 8 CE MET A 1 10.417 -2.439 -0.964 1.00 16.11 C ATOM 0 H1 MET A 1 12.458 -7.171 -5.212 1.00 9.67 H new ATOM 0 H2 MET A 1 10.877 -7.782 -5.308 1.00 9.67 H new ATOM 0 H3 MET A 1 11.135 -6.106 -5.210 1.00 9.67 H new ATOM 0 HA MET A 1 12.133 -7.879 -3.116 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.549 -6.331 -1.795 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.786 -5.489 -3.313 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.572 -4.446 -3.048 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.403 -5.247 -1.498 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.710 -1.523 -0.451 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.881 -2.188 -1.879 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.769 -3.027 -0.314 1.00 16.11 H new ATOM 20 N GLN A 2 10.028 -8.424 -1.777 1.00 9.27 N ATOM 21 CA GLN A 2 8.705 -8.876 -1.337 1.00 9.07 C ATOM 22 C GLN A 2 8.385 -7.963 -0.166 1.00 8.72 C ATOM 23 O GLN A 2 9.282 -7.480 0.518 1.00 8.22 O ATOM 24 CB GLN A 2 8.723 -10.374 -0.900 1.00 14.46 C ATOM 25 CG GLN A 2 7.353 -10.891 -0.361 1.00 17.01 C ATOM 26 CD GLN A 2 7.354 -12.398 -0.217 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.873 -13.158 -1.060 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.046 -12.887 0.830 1.00 19.49 N ATOM 0 H GLN A 2 10.823 -8.696 -1.198 1.00 9.27 H new ATOM 0 HA GLN A 2 7.961 -8.823 -2.131 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.023 -10.987 -1.750 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.480 -10.508 -0.128 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.142 -10.431 0.604 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.555 -10.589 -1.039 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.440 -12.251 1.523 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.176 -13.894 0.930 1.00 19.49 H new ATOM 37 N ILE A 3 7.078 -7.579 0.030 1.00 5.87 N ATOM 38 CA ILE A 3 6.548 -6.794 1.151 1.00 5.07 C ATOM 39 C ILE A 3 5.215 -7.356 1.420 1.00 4.01 C ATOM 40 O ILE A 3 4.637 -8.034 0.521 1.00 4.61 O ATOM 41 CB ILE A 3 6.495 -5.307 0.967 1.00 6.55 C ATOM 42 CG1 ILE A 3 6.099 -4.871 -0.442 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.911 -4.698 1.366 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.657 -3.431 -0.608 1.00 10.83 C ATOM 0 H ILE A 3 6.347 -7.832 -0.635 1.00 5.87 H new ATOM 0 HA ILE A 3 7.239 -6.883 1.989 1.00 5.07 H new ATOM 0 HB ILE A 3 5.708 -4.924 1.617 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.948 -5.045 -1.104 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.290 -5.517 -0.784 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.891 -3.616 1.238 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.129 -4.936 2.407 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.684 -5.124 0.726 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.403 -3.246 -1.652 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.783 -3.244 0.017 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.466 -2.765 -0.308 1.00 10.83 H new ATOM 56 N PHE A 4 4.633 -7.126 2.588 1.00 4.55 N ATOM 57 CA PHE A 4 3.349 -7.615 3.038 1.00 4.68 C ATOM 58 C PHE A 4 2.367 -6.452 3.409 1.00 5.30 C ATOM 59 O PHE A 4 2.644 -5.544 4.172 1.00 5.58 O ATOM 60 CB PHE A 4 3.449 -8.442 4.312 1.00 4.83 C ATOM 61 CG PHE A 4 4.469 -9.514 4.241 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.109 -10.650 3.509 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.747 -9.487 4.885 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.069 -11.627 3.171 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.726 -10.412 4.532 1.00 10.61 C ATOM 66 CZ PHE A 4 6.345 -11.496 3.675 1.00 8.90 C ATOM 0 H PHE A 4 5.086 -6.548 3.296 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.207 2.197 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.684 -7.782 5.147 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.477 -8.889 4.523 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.083 -10.781 3.198 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.952 -8.748 5.646 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.810 -12.458 2.532 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.740 -10.316 4.892 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.086 -12.238 3.415 1.00 8.90 H new ATOM 76 N VAL A 5 1.157 -6.491 2.897 1.00 4.44 N ATOM 77 CA VAL A 5 0.152 -5.446 3.177 1.00 3.87 C ATOM 78 C VAL A 5 -0.955 -6.135 3.986 1.00 4.93 C ATOM 79 O VAL A 5 -1.668 -7.018 3.479 1.00 6.84 O ATOM 80 CB VAL A 5 -0.395 -4.778 1.931 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.459 -3.758 2.327 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.724 -4.044 1.261 1.00 9.13 C ATOM 0 H VAL A 5 0.828 -7.233 2.279 1.00 4.44 H new ATOM 0 HA VAL A 5 0.611 -4.627 3.731 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.825 -5.529 1.268 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.853 -3.277 1.432 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.269 -4.263 2.854 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.016 -3.005 2.979 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.351 -3.555 0.361 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.126 -3.293 1.942 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.511 -4.748 0.992 1.00 9.13 H new ATOM 92 N LYS A 6 -1.098 -5.827 5.299 1.00 6.04 N ATOM 93 CA LYS A 6 -2.008 -6.480 6.184 1.00 6.12 C ATOM 94 C LYS A 6 -3.364 -5.738 6.333 1.00 6.57 C ATOM 95 O LYS A 6 -3.451 -4.535 6.573 1.00 5.76 O ATOM 96 CB LYS A 6 -1.367 -6.544 7.550 1.00 7.45 C ATOM 97 CG LYS A 6 -1.950 -7.506 8.549 1.00 11.12 C ATOM 98 CD LYS A 6 -1.511 -8.875 8.192 1.00 14.54 C ATOM 99 CE LYS A 6 -1.891 -9.917 9.267 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.509 -11.353 8.964 1.00 20.55 N ATOM 0 H LYS A 6 -0.554 -5.093 5.753 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.216 -7.464 5.765 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.315 -6.796 7.416 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.403 -5.545 7.985 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.620 -7.253 9.556 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.038 -7.444 8.545 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.959 -9.160 7.240 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.430 -8.881 8.050 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.422 -9.628 10.207 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.969 -9.873 9.422 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.253 -11.991 9.312 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.402 -11.474 7.937 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.610 -11.580 9.435 1.00 20.55 H new ATOM 114 N THR A 7 -4.510 -6.468 6.153 1.00 7.41 N ATOM 115 CA THR A 7 -5.855 -5.798 6.145 1.00 7.48 C ATOM 116 C THR A 7 -6.482 -5.671 7.493 1.00 8.75 C ATOM 117 O THR A 7 -6.027 -6.217 8.490 1.00 8.58 O ATOM 118 CB THR A 7 -6.889 -6.345 5.006 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.630 -7.468 5.441 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.080 -6.650 3.789 1.00 9.17 C ATOM 0 H THR A 7 -4.534 -7.479 6.017 1.00 7.41 H new ATOM 0 HA THR A 7 -5.623 -4.779 5.836 1.00 7.48 H new ATOM 0 HB THR A 7 -7.637 -5.583 4.788 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.235 -7.757 4.727 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.735 -7.020 3.000 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.578 -5.744 3.449 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.335 -7.409 4.028 1.00 9.17 H new ATOM 128 N LEU A 8 -7.640 -4.961 7.478 1.00 9.84 N ATOM 129 CA LEU A 8 -8.517 -4.855 8.648 1.00 14.15 C ATOM 130 C LEU A 8 -8.988 -6.261 9.132 1.00 17.37 C ATOM 131 O LEU A 8 -9.201 -6.445 10.315 1.00 17.01 O ATOM 132 CB LEU A 8 -9.644 -3.891 8.424 1.00 16.63 C ATOM 133 CG LEU A 8 -10.586 -3.510 9.635 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.920 -2.444 10.501 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.961 -3.040 9.119 1.00 18.59 C ATOM 0 H LEU A 8 -7.979 -4.456 6.659 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.933 -4.431 9.465 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.213 -2.966 8.040 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.274 -4.301 7.635 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.749 -4.393 10.253 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.577 -2.188 11.333 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.976 -2.828 10.889 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.731 -1.554 9.901 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.598 -2.781 9.965 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.831 -2.165 8.482 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.427 -3.841 8.545 1.00 18.59 H new ATOM 147 N THR A 9 -9.192 -7.278 8.263 1.00 18.33 N ATOM 148 CA THR A 9 -9.642 -8.592 8.728 1.00 19.24 C ATOM 149 C THR A 9 -8.518 -9.560 9.020 1.00 19.48 C ATOM 150 O THR A 9 -8.756 -10.756 9.358 1.00 23.14 O ATOM 151 CB THR A 9 -10.707 -9.275 7.871 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.380 -9.254 6.516 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.962 -8.450 8.104 1.00 19.70 C ATOM 0 H THR A 9 -9.053 -7.208 7.255 1.00 18.33 H new ATOM 0 HA THR A 9 -10.128 -8.331 9.668 1.00 19.24 H new ATOM 0 HB THR A 9 -10.818 -10.325 8.141 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.085 -9.702 6.002 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.785 -8.868 7.525 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.218 -8.468 9.163 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.784 -7.421 7.791 1.00 19.70 H new ATOM 161 N GLY A 10 -7.234 -9.070 8.991 1.00 19.43 N ATOM 162 CA GLY A 10 -6.042 -9.889 9.195 1.00 18.74 C ATOM 163 C GLY A 10 -5.708 -10.613 7.919 1.00 17.62 C ATOM 164 O GLY A 10 -4.856 -11.534 8.029 1.00 19.74 O ATOM 0 H GLY A 10 -7.023 -8.086 8.823 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.204 -9.262 9.500 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.213 -10.605 9.998 1.00 18.74 H new ATOM 168 N LYS A 11 -6.249 -10.319 6.768 1.00 13.56 N ATOM 169 CA LYS A 11 -5.780 -10.890 5.478 1.00 11.91 C ATOM 170 C LYS A 11 -4.379 -10.379 5.200 1.00 10.18 C ATOM 171 O LYS A 11 -4.109 -9.179 5.343 1.00 9.10 O ATOM 172 CB LYS A 11 -6.674 -10.632 4.301 1.00 13.43 C ATOM 173 CG LYS A 11 -6.433 -11.643 3.129 1.00 16.69 C ATOM 174 CD LYS A 11 -5.681 -11.081 1.897 1.00 17.92 C ATOM 175 CE LYS A 11 -5.287 -12.168 0.927 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.458 -12.604 0.121 1.00 21.93 N ATOM 0 H LYS A 11 -7.034 -9.675 6.669 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.795 -11.973 5.599 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.715 -10.692 4.620 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.509 -9.617 3.940 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.871 -12.493 3.517 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.399 -12.024 2.798 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.313 -10.353 1.388 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -4.788 -10.551 2.229 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.500 -11.805 0.266 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.878 -13.018 1.473 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.355 -13.609 -0.125 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.329 -12.470 0.673 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.510 -12.038 -0.750 1.00 21.93 H new ATOM 190 N THR A 12 -3.472 -11.297 4.764 1.00 9.63 N ATOM 191 CA THR A 12 -2.142 -10.904 4.368 1.00 9.85 C ATOM 192 C THR A 12 -2.125 -10.743 2.825 1.00 11.66 C ATOM 193 O THR A 12 -2.286 -11.769 2.142 1.00 12.33 O ATOM 194 CB THR A 12 -1.110 -11.912 4.824 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.129 -12.099 6.231 1.00 10.91 O ATOM 196 CG2 THR A 12 0.353 -11.550 4.483 1.00 9.63 C ATOM 0 H THR A 12 -3.660 -12.297 4.688 1.00 9.63 H new ATOM 0 HA THR A 12 -1.882 -9.958 4.842 1.00 9.85 H new ATOM 0 HB THR A 12 -1.403 -12.808 4.277 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.449 -12.758 6.483 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.017 -12.333 4.850 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.463 -11.459 3.402 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.613 -10.603 4.955 1.00 9.63 H new ATOM 204 N ILE A 13 -1.951 -9.572 2.192 1.00 10.42 N ATOM 205 CA ILE A 13 -1.733 -9.553 0.742 1.00 11.84 C ATOM 206 C ILE A 13 -0.195 -9.514 0.640 1.00 10.55 C ATOM 207 O ILE A 13 0.475 -8.749 1.317 1.00 11.92 O ATOM 208 CB ILE A 13 -2.240 -8.342 -0.012 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.527 -7.783 0.676 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.354 -8.793 -1.464 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.006 -6.385 0.265 1.00 16.46 C ATOM 0 H ILE A 13 -1.957 -8.658 2.644 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.266 -10.396 0.302 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.579 -7.476 0.004 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.340 -8.485 0.488 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.355 -7.776 1.752 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.717 -7.966 -2.074 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.375 -9.108 -1.825 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.052 -9.628 -1.532 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.907 -6.130 0.823 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.226 -5.655 0.482 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.226 -6.375 -0.803 1.00 16.46 H new ATOM 223 N THR A 14 0.401 -10.369 -0.187 1.00 9.39 N ATOM 224 CA THR A 14 1.864 -10.458 -0.299 1.00 9.63 C ATOM 225 C THR A 14 2.226 -9.964 -1.681 1.00 11.20 C ATOM 226 O THR A 14 1.577 -10.356 -2.655 1.00 11.63 O ATOM 227 CB THR A 14 2.257 -11.911 -0.321 1.00 10.38 C ATOM 228 OG1 THR A 14 1.822 -12.523 0.839 1.00 16.30 O ATOM 229 CG2 THR A 14 3.721 -12.238 -0.482 1.00 11.66 C ATOM 0 H THR A 14 -0.104 -11.015 -0.794 1.00 9.39 H new ATOM 0 HA THR A 14 2.336 -9.907 0.514 1.00 9.63 H new ATOM 0 HB THR A 14 1.778 -12.282 -1.228 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.076 -13.469 0.825 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.855 -13.320 -0.480 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.084 -11.829 -1.425 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.284 -11.802 0.343 1.00 11.66 H new ATOM 237 N LEU A 15 3.211 -9.042 -1.771 1.00 8.29 N ATOM 238 CA LEU A 15 3.386 -8.288 -3.010 1.00 9.03 C ATOM 239 C LEU A 15 4.846 -8.309 -3.497 1.00 8.59 C ATOM 240 O LEU A 15 5.783 -8.162 -2.750 1.00 7.79 O ATOM 241 CB LEU A 15 2.984 -6.804 -2.868 1.00 11.08 C ATOM 242 CG LEU A 15 1.505 -6.691 -2.459 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.140 -5.218 -2.264 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.538 -7.269 -3.447 1.00 15.27 C ATOM 0 H LEU A 15 3.869 -8.815 -1.025 1.00 8.29 H new ATOM 0 HA LEU A 15 2.732 -8.784 -3.727 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.613 -6.319 -2.122 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.149 -6.283 -3.811 1.00 11.08 H new ATOM 0 HG LEU A 15 1.416 -7.271 -1.540 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.092 -5.138 -1.974 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.766 -4.788 -1.482 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.301 -4.677 -3.196 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.479 -7.145 -3.076 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.642 -6.753 -4.402 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.747 -8.330 -3.583 1.00 15.27 H new ATOM 256 N GLU A 16 5.074 -8.515 -4.780 1.00 11.04 N ATOM 257 CA GLU A 16 6.389 -8.407 -5.394 1.00 11.50 C ATOM 258 C GLU A 16 6.488 -7.025 -6.000 1.00 10.13 C ATOM 259 O GLU A 16 5.661 -6.705 -6.840 1.00 9.83 O ATOM 260 CB GLU A 16 6.565 -9.513 -6.560 1.00 17.22 C ATOM 261 CG GLU A 16 7.853 -9.350 -7.452 1.00 23.33 C ATOM 262 CD GLU A 16 9.179 -9.502 -6.670 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.494 -10.620 -6.158 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.985 -8.554 -6.698 1.00 28.90 O ATOM 0 H GLU A 16 4.338 -8.767 -5.440 1.00 11.04 H new ATOM 0 HA GLU A 16 7.166 -8.573 -4.648 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.584 -10.501 -6.101 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.688 -9.478 -7.207 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.826 -10.091 -8.251 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.833 -8.369 -7.927 1.00 23.33 H new ATOM 271 N VAL A 17 7.460 -6.190 -5.594 1.00 8.99 N ATOM 272 CA VAL A 17 7.531 -4.808 -6.016 1.00 8.85 C ATOM 273 C VAL A 17 8.986 -4.349 -6.093 1.00 8.04 C ATOM 274 O VAL A 17 9.846 -5.040 -5.565 1.00 8.99 O ATOM 275 CB VAL A 17 6.863 -3.851 -5.002 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.443 -4.252 -4.723 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.627 -3.867 -3.633 1.00 10.54 C ATOM 0 H VAL A 17 8.212 -6.469 -4.964 1.00 8.99 H new ATOM 0 HA VAL A 17 7.024 -4.770 -6.980 1.00 8.85 H new ATOM 0 HB VAL A 17 6.892 -2.857 -5.449 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.003 -3.558 -4.006 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.870 -4.229 -5.650 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.424 -5.261 -4.310 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.139 -3.186 -2.936 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.616 -4.877 -3.222 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.658 -3.549 -3.788 1.00 10.54 H new ATOM 287 N GLU A 18 9.258 -3.181 -6.733 1.00 7.29 N ATOM 288 CA GLU A 18 10.540 -2.554 -6.617 1.00 7.08 C ATOM 289 C GLU A 18 10.419 -1.342 -5.738 1.00 6.45 C ATOM 290 O GLU A 18 9.385 -0.694 -5.710 1.00 5.28 O ATOM 291 CB GLU A 18 11.061 -2.220 -7.982 1.00 10.28 C ATOM 292 CG GLU A 18 11.258 -3.490 -8.897 1.00 12.65 C ATOM 293 CD GLU A 18 12.429 -4.422 -8.482 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.612 -3.968 -8.484 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.126 -5.594 -8.122 1.00 18.17 O ATOM 0 H GLU A 18 8.592 -2.682 -7.323 1.00 7.29 H new ATOM 0 HA GLU A 18 11.258 -3.230 -6.153 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.370 -1.532 -8.470 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.013 -1.699 -7.883 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.334 -4.069 -8.894 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.423 -3.159 -9.922 1.00 12.65 H new ATOM 302 N PRO A 19 11.479 -0.878 -5.128 1.00 7.24 N ATOM 303 CA PRO A 19 11.396 0.357 -4.318 1.00 7.07 C ATOM 304 C PRO A 19 11.209 1.568 -5.153 1.00 6.65 C ATOM 305 O PRO A 19 10.782 2.561 -4.612 1.00 6.37 O ATOM 306 CB PRO A 19 12.669 0.335 -3.497 1.00 7.61 C ATOM 307 CG PRO A 19 13.628 -0.529 -4.266 1.00 8.16 C ATOM 308 CD PRO A 19 12.705 -1.609 -4.810 1.00 7.49 C ATOM 0 HA PRO A 19 10.520 0.394 -3.671 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.067 1.341 -3.364 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.487 -0.070 -2.502 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.127 0.023 -5.063 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.409 -0.942 -3.627 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.126 -2.090 -5.693 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.526 -2.393 -4.074 1.00 7.49 H new ATOM 316 N SER A 20 11.470 1.519 -6.465 1.00 6.80 N ATOM 317 CA SER A 20 11.108 2.515 -7.458 1.00 6.28 C ATOM 318 C SER A 20 9.568 2.719 -7.607 1.00 8.45 C ATOM 319 O SER A 20 9.135 3.797 -7.921 1.00 7.26 O ATOM 320 CB SER A 20 11.679 2.256 -8.884 1.00 8.57 C ATOM 321 OG SER A 20 11.283 1.068 -9.485 1.00 11.13 O ATOM 0 H SER A 20 11.970 0.732 -6.878 1.00 6.80 H new ATOM 0 HA SER A 20 11.570 3.414 -7.050 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.385 3.084 -9.529 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.767 2.268 -8.827 1.00 8.57 H new ATOM 0 HG SER A 20 11.691 0.999 -10.373 1.00 11.13 H new ATOM 327 N ASP A 21 8.732 1.660 -7.511 1.00 7.50 N ATOM 328 CA ASP A 21 7.269 1.740 -7.491 1.00 7.70 C ATOM 329 C ASP A 21 6.626 2.836 -6.663 1.00 7.08 C ATOM 330 O ASP A 21 6.884 3.107 -5.488 1.00 8.11 O ATOM 331 CB ASP A 21 6.633 0.384 -7.224 1.00 11.00 C ATOM 332 CG ASP A 21 6.908 -0.642 -8.337 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.930 -0.250 -9.546 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.157 -1.823 -7.935 1.00 14.36 O ATOM 0 H ASP A 21 9.075 0.702 -7.444 1.00 7.50 H new ATOM 0 HA ASP A 21 7.044 2.061 -8.508 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.008 -0.006 -6.278 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.556 0.510 -7.113 1.00 11.00 H new ATOM 339 N THR A 22 5.623 3.563 -7.247 1.00 5.37 N ATOM 340 CA THR A 22 4.827 4.472 -6.462 1.00 6.01 C ATOM 341 C THR A 22 3.786 3.749 -5.620 1.00 8.01 C ATOM 342 O THR A 22 3.383 2.649 -5.923 1.00 8.11 O ATOM 343 CB THR A 22 4.124 5.494 -7.350 1.00 8.92 C ATOM 344 OG1 THR A 22 3.379 4.841 -8.380 1.00 10.22 O ATOM 345 CG2 THR A 22 5.148 6.379 -8.003 1.00 9.65 C ATOM 0 H THR A 22 5.376 3.518 -8.236 1.00 5.37 H new ATOM 0 HA THR A 22 5.519 4.982 -5.792 1.00 6.01 H new ATOM 0 HB THR A 22 3.448 6.079 -6.726 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.934 5.513 -8.938 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.646 7.109 -8.638 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.722 6.899 -7.236 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.820 5.772 -8.610 1.00 9.65 H new ATOM 353 N ILE A 23 3.358 4.421 -4.559 1.00 8.32 N ATOM 354 CA ILE A 23 2.232 3.917 -3.732 1.00 9.92 C ATOM 355 C ILE A 23 1.087 3.646 -4.625 1.00 10.01 C ATOM 356 O ILE A 23 0.407 2.618 -4.427 1.00 8.71 O ATOM 357 CB ILE A 23 1.893 4.905 -2.633 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.083 5.346 -1.720 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.723 4.485 -1.693 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.915 4.238 -1.060 1.00 12.30 C ATOM 0 H ILE A 23 3.756 5.305 -4.241 1.00 8.32 H new ATOM 0 HA ILE A 23 2.508 2.989 -3.231 1.00 9.92 H new ATOM 0 HB ILE A 23 1.583 5.752 -3.245 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.755 5.962 -2.317 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.684 5.983 -0.931 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.562 5.260 -0.944 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.186 4.354 -2.280 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.973 3.547 -1.197 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.704 4.686 -0.457 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.272 3.631 -0.423 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.360 3.609 -1.831 1.00 12.30 H new ATOM 372 N GLU A 24 0.813 4.529 -5.658 1.00 9.54 N ATOM 373 CA GLU A 24 -0.254 4.298 -6.591 1.00 11.81 C ATOM 374 C GLU A 24 -0.075 3.083 -7.424 1.00 11.14 C ATOM 375 O GLU A 24 -1.041 2.368 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 -0.316 5.513 -7.497 1.00 19.24 C ATOM 377 CG GLU A 24 -1.334 5.541 -8.656 1.00 27.76 C ATOM 378 CD GLU A 24 -1.360 7.033 -9.219 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.315 7.651 -9.583 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.491 7.600 -9.272 1.00 34.80 O ATOM 0 H GLU A 24 1.338 5.387 -5.826 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.171 4.139 -6.024 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.513 6.381 -6.868 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.675 5.650 -7.929 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.047 4.839 -9.438 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.323 5.243 -8.308 1.00 27.76 H new ATOM 387 N ASN A 25 1.146 2.683 -7.901 1.00 9.43 N ATOM 388 CA ASN A 25 1.398 1.406 -8.497 1.00 10.96 C ATOM 389 C ASN A 25 1.187 0.141 -7.573 1.00 9.68 C ATOM 390 O ASN A 25 0.542 -0.813 -8.049 1.00 9.33 O ATOM 391 CB ASN A 25 2.910 1.385 -8.910 1.00 16.78 C ATOM 392 CG ASN A 25 3.274 0.297 -9.892 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.750 -0.819 -9.666 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.011 0.646 -11.180 1.00 24.70 N ATOM 0 H ASN A 25 1.973 3.279 -7.863 1.00 9.43 H new ATOM 0 HA ASN A 25 0.676 1.320 -9.309 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.169 2.351 -9.344 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.517 1.266 -8.013 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.207 -0.010 -11.936 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.617 1.563 -11.390 1.00 24.70 H new ATOM 401 N VAL A 26 1.621 0.149 -6.263 1.00 6.52 N ATOM 402 CA VAL A 26 1.283 -0.738 -5.175 1.00 5.53 C ATOM 403 C VAL A 26 -0.225 -0.933 -4.977 1.00 4.42 C ATOM 404 O VAL A 26 -0.788 -2.051 -4.911 1.00 3.40 O ATOM 405 CB VAL A 26 1.907 -0.334 -3.842 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.485 -1.415 -2.808 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.416 -0.495 -3.940 1.00 8.12 C ATOM 0 H VAL A 26 2.280 0.863 -5.952 1.00 6.52 H new ATOM 0 HA VAL A 26 1.714 -1.689 -5.490 1.00 5.53 H new ATOM 0 HB VAL A 26 1.610 0.682 -3.582 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.908 -1.171 -1.833 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.398 -1.444 -2.735 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.853 -2.389 -3.130 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.875 -0.209 -2.993 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.657 -1.535 -4.161 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.799 0.144 -4.736 1.00 8.12 H new ATOM 417 N LYS A 27 -1.082 0.166 -4.935 1.00 2.64 N ATOM 418 CA LYS A 27 -2.468 0.094 -4.871 1.00 4.14 C ATOM 419 C LYS A 27 -3.148 -0.576 -6.109 1.00 5.58 C ATOM 420 O LYS A 27 -4.252 -1.207 -5.960 1.00 4.11 O ATOM 421 CB LYS A 27 -3.188 1.486 -4.785 1.00 3.97 C ATOM 422 CG LYS A 27 -2.855 2.195 -3.496 1.00 7.45 C ATOM 423 CD LYS A 27 -3.451 3.619 -3.332 1.00 9.02 C ATOM 424 CE LYS A 27 -3.175 4.218 -1.936 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.941 5.528 -1.759 1.00 15.47 N ATOM 0 H LYS A 27 -0.736 1.126 -4.949 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.588 -0.497 -3.963 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.890 2.105 -5.631 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.266 1.345 -4.857 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.201 1.580 -2.666 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.770 2.264 -3.412 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.032 4.275 -4.095 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.527 3.581 -3.501 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.471 3.508 -1.163 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.106 4.395 -1.814 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.458 6.120 -1.054 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.980 6.033 -2.667 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.908 5.324 -1.435 1.00 15.47 H new ATOM 439 N ALA A 28 -2.540 -0.362 -7.353 1.00 6.61 N ATOM 440 CA ALA A 28 -3.024 -1.003 -8.532 1.00 7.74 C ATOM 441 C ALA A 28 -2.826 -2.532 -8.543 1.00 9.17 C ATOM 442 O ALA A 28 -3.596 -3.347 -9.114 1.00 11.45 O ATOM 443 CB ALA A 28 -2.418 -0.391 -9.832 1.00 7.68 C ATOM 0 H ALA A 28 -1.735 0.247 -7.500 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.098 -0.815 -8.514 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.818 -0.914 -10.701 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.678 0.666 -9.892 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.333 -0.497 -9.813 1.00 7.68 H new ATOM 449 N LYS A 29 -1.760 -2.975 -7.856 1.00 8.96 N ATOM 450 CA LYS A 29 -1.351 -4.354 -7.614 1.00 7.90 C ATOM 451 C LYS A 29 -2.179 -4.899 -6.495 1.00 6.92 C ATOM 452 O LYS A 29 -2.431 -6.079 -6.520 1.00 6.87 O ATOM 453 CB LYS A 29 0.189 -4.417 -7.342 1.00 10.28 C ATOM 454 CG LYS A 29 0.999 -5.735 -7.328 1.00 14.94 C ATOM 455 CD LYS A 29 2.490 -5.678 -7.400 1.00 19.69 C ATOM 456 CE LYS A 29 2.911 -5.658 -8.878 1.00 22.63 C ATOM 457 NZ LYS A 29 4.342 -5.559 -9.016 1.00 24.98 N ATOM 0 H LYS A 29 -1.113 -2.316 -7.423 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.524 -4.980 -8.490 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.659 -3.775 -8.087 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.349 -3.948 -6.371 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.735 -6.272 -6.417 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.654 -6.341 -8.166 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.859 -4.788 -6.890 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.926 -6.540 -6.894 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.558 -6.564 -9.371 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.436 -4.816 -9.382 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.651 -6.120 -9.835 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.609 -4.564 -9.157 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.800 -5.921 -8.155 1.00 24.98 H new ATOM 471 N ILE A 30 -2.668 -4.184 -5.498 1.00 4.57 N ATOM 472 CA ILE A 30 -3.731 -4.626 -4.658 1.00 5.58 C ATOM 473 C ILE A 30 -5.175 -4.754 -5.267 1.00 7.26 C ATOM 474 O ILE A 30 -5.932 -5.671 -4.951 1.00 9.46 O ATOM 475 CB ILE A 30 -3.717 -3.685 -3.422 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.377 -3.944 -2.691 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.920 -4.000 -2.422 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.059 -3.041 -1.499 1.00 2.00 C ATOM 0 H ILE A 30 -2.317 -3.257 -5.256 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.526 -5.672 -4.431 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.826 -2.650 -3.745 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.372 -4.978 -2.345 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.569 -3.847 -3.416 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.874 -3.320 -1.571 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.869 -3.867 -2.941 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.840 -5.028 -2.069 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.095 -3.324 -1.075 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.020 -2.003 -1.829 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.835 -3.152 -0.742 1.00 2.00 H new ATOM 490 N GLN A 31 -5.561 -3.897 -6.237 1.00 7.06 N ATOM 491 CA GLN A 31 -6.726 -4.173 -7.135 1.00 8.67 C ATOM 492 C GLN A 31 -6.628 -5.497 -7.973 1.00 10.90 C ATOM 493 O GLN A 31 -7.505 -6.345 -8.083 1.00 9.63 O ATOM 494 CB GLN A 31 -6.942 -2.940 -8.084 1.00 9.12 C ATOM 495 CG GLN A 31 -8.140 -3.079 -8.977 1.00 10.76 C ATOM 496 CD GLN A 31 -8.615 -1.823 -9.648 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.754 -1.382 -9.360 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.890 -1.286 -10.657 1.00 14.76 N ATOM 0 H GLN A 31 -5.092 -3.011 -6.425 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.583 -4.327 -6.479 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -7.051 -2.040 -7.479 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.053 -2.804 -8.700 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.909 -3.813 -9.749 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.962 -3.484 -8.387 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.966 -1.659 -10.876 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.268 -0.509 -11.199 1.00 14.76 H new ATOM 507 N ASP A 32 -5.407 -5.680 -8.579 1.00 10.93 N ATOM 508 CA ASP A 32 -5.054 -6.885 -9.223 1.00 14.01 C ATOM 509 C ASP A 32 -5.158 -8.131 -8.405 1.00 14.04 C ATOM 510 O ASP A 32 -5.602 -9.144 -8.917 1.00 13.39 O ATOM 511 CB ASP A 32 -3.581 -6.760 -9.685 1.00 18.01 C ATOM 512 CG ASP A 32 -3.381 -7.713 -10.865 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.168 -7.723 -11.806 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.358 -8.456 -10.888 1.00 25.17 O ATOM 0 H ASP A 32 -4.679 -4.966 -8.606 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.777 -7.000 -10.031 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.358 -5.734 -9.980 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.902 -7.012 -8.870 1.00 18.01 H new ATOM 519 N LYS A 33 -4.784 -8.146 -7.111 1.00 14.22 N ATOM 520 CA LYS A 33 -5.023 -9.211 -6.137 1.00 14.00 C ATOM 521 C LYS A 33 -6.420 -9.334 -5.494 1.00 12.37 C ATOM 522 O LYS A 33 -7.108 -10.372 -5.457 1.00 12.17 O ATOM 523 CB LYS A 33 -4.058 -9.018 -4.960 1.00 18.62 C ATOM 524 CG LYS A 33 -2.541 -9.099 -5.273 1.00 24.00 C ATOM 525 CD LYS A 33 -2.095 -10.565 -5.671 1.00 27.61 C ATOM 526 CE LYS A 33 -0.648 -10.680 -6.093 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.250 -12.095 -6.399 1.00 30.06 N ATOM 0 H LYS A 33 -4.276 -7.363 -6.700 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.892 -10.110 -6.739 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.260 -8.045 -4.512 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.289 -9.770 -4.206 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.302 -8.414 -6.086 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.973 -8.771 -4.402 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.268 -11.228 -4.823 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.728 -10.917 -6.485 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.479 -10.060 -6.973 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.009 -10.289 -5.301 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.750 -12.121 -6.683 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.385 -12.684 -5.553 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.839 -12.462 -7.173 1.00 30.06 H new ATOM 541 N GLU A 34 -6.980 -8.178 -4.975 1.00 10.11 N ATOM 542 CA GLU A 34 -8.117 -8.190 -4.124 1.00 10.07 C ATOM 543 C GLU A 34 -9.382 -7.495 -4.543 1.00 9.32 C ATOM 544 O GLU A 34 -10.356 -7.451 -3.761 1.00 11.61 O ATOM 545 CB GLU A 34 -7.795 -7.599 -2.758 1.00 14.77 C ATOM 546 CG GLU A 34 -6.576 -8.207 -2.014 1.00 18.75 C ATOM 547 CD GLU A 34 -6.862 -9.640 -1.410 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.798 -9.777 -0.593 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.150 -10.597 -1.768 1.00 25.19 O ATOM 0 H GLU A 34 -6.617 -7.244 -5.166 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.329 -9.259 -4.148 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.622 -6.530 -2.880 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.673 -7.709 -2.122 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.734 -8.272 -2.703 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.278 -7.534 -1.210 1.00 18.75 H new ATOM 556 N GLY A 35 -9.434 -6.939 -5.808 1.00 7.22 N ATOM 557 CA GLY A 35 -10.574 -6.221 -6.372 1.00 6.29 C ATOM 558 C GLY A 35 -10.875 -4.780 -5.874 1.00 6.93 C ATOM 559 O GLY A 35 -11.980 -4.282 -6.084 1.00 7.41 O ATOM 0 H GLY A 35 -8.648 -6.996 -6.456 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.432 -6.174 -7.452 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.464 -6.824 -6.194 1.00 6.29 H new ATOM 563 N ILE A 36 -9.931 -4.225 -5.081 1.00 5.86 N ATOM 564 CA ILE A 36 -10.202 -2.970 -4.322 1.00 6.07 C ATOM 565 C ILE A 36 -9.826 -1.724 -5.142 1.00 6.36 C ATOM 566 O ILE A 36 -8.677 -1.633 -5.606 1.00 6.18 O ATOM 567 CB ILE A 36 -9.367 -2.911 -2.993 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.743 -4.131 -2.022 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.736 -1.618 -2.259 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.647 -4.229 -1.014 1.00 9.49 C ATOM 0 H ILE A 36 -8.996 -4.610 -4.947 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.270 -2.977 -4.104 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.307 -2.959 -3.244 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.702 -3.957 -1.535 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.835 -5.060 -2.585 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.169 -1.552 -1.330 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.500 -0.761 -2.890 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.802 -1.619 -2.033 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.857 -5.048 -0.327 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.701 -4.415 -1.522 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.581 -3.295 -0.456 1.00 9.49 H new ATOM 582 N PRO A 37 -10.702 -0.845 -5.529 1.00 8.65 N ATOM 583 CA PRO A 37 -10.362 0.364 -6.233 1.00 9.18 C ATOM 584 C PRO A 37 -9.164 1.145 -5.582 1.00 9.85 C ATOM 585 O PRO A 37 -9.292 1.417 -4.398 1.00 8.51 O ATOM 586 CB PRO A 37 -11.689 1.129 -6.238 1.00 11.42 C ATOM 587 CG PRO A 37 -12.737 0.079 -6.419 1.00 9.27 C ATOM 588 CD PRO A 37 -12.173 -1.072 -5.550 1.00 8.33 C ATOM 0 HA PRO A 37 -9.982 0.189 -7.239 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.834 1.675 -5.306 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.720 1.861 -7.045 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.716 0.412 -6.074 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.850 -0.213 -7.463 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.591 -1.050 -4.544 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.417 -2.045 -5.975 1.00 8.33 H new ATOM 596 N PRO A 38 -8.096 1.667 -6.204 1.00 8.71 N ATOM 597 CA PRO A 38 -7.117 2.523 -5.584 1.00 9.08 C ATOM 598 C PRO A 38 -7.608 3.820 -4.978 1.00 9.28 C ATOM 599 O PRO A 38 -6.909 4.326 -4.082 1.00 6.50 O ATOM 600 CB PRO A 38 -6.066 2.783 -6.656 1.00 10.31 C ATOM 601 CG PRO A 38 -6.135 1.575 -7.546 1.00 10.81 C ATOM 602 CD PRO A 38 -7.588 1.120 -7.446 1.00 12.00 C ATOM 0 HA PRO A 38 -6.740 2.003 -4.704 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.280 3.697 -7.209 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.074 2.899 -6.220 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.864 1.821 -8.573 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.450 0.795 -7.213 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.168 1.479 -8.296 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.657 0.032 -7.450 1.00 12.00 H new ATOM 610 N ASP A 39 -8.774 4.359 -5.429 1.00 11.20 N ATOM 611 CA ASP A 39 -9.384 5.580 -4.811 1.00 14.96 C ATOM 612 C ASP A 39 -10.093 5.193 -3.484 1.00 13.99 C ATOM 613 O ASP A 39 -10.397 6.065 -2.631 1.00 13.75 O ATOM 614 CB ASP A 39 -10.353 6.104 -5.914 1.00 24.16 C ATOM 615 CG ASP A 39 -11.113 7.391 -5.544 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.573 8.551 -5.709 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.300 7.292 -5.147 1.00 35.55 O ATOM 0 H ASP A 39 -9.308 3.976 -6.209 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.671 6.354 -4.528 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.782 6.285 -6.825 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.078 5.323 -6.142 1.00 24.16 H new ATOM 622 N GLN A 40 -10.354 3.914 -3.167 1.00 11.60 N ATOM 623 CA GLN A 40 -10.892 3.530 -1.944 1.00 10.76 C ATOM 624 C GLN A 40 -9.798 3.122 -0.904 1.00 8.01 C ATOM 625 O GLN A 40 -10.019 2.958 0.277 1.00 8.96 O ATOM 626 CB GLN A 40 -11.765 2.212 -2.199 1.00 11.14 C ATOM 627 CG GLN A 40 -12.717 1.824 -1.142 1.00 14.85 C ATOM 628 CD GLN A 40 -13.435 0.514 -1.383 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.430 -0.373 -0.526 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.365 0.422 -2.390 1.00 18.16 N ATOM 0 H GLN A 40 -10.176 3.134 -3.800 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.459 4.375 -1.553 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.324 2.350 -3.124 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.081 1.379 -2.361 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.180 1.759 -0.195 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.460 2.614 -1.034 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.401 1.136 -3.118 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.019 -0.360 -2.410 1.00 18.16 H new ATOM 639 N GLN A 41 -8.511 3.117 -1.332 1.00 6.52 N ATOM 640 CA GLN A 41 -7.536 2.604 -0.403 1.00 3.87 C ATOM 641 C GLN A 41 -6.661 3.684 0.194 1.00 4.79 C ATOM 642 O GLN A 41 -6.189 4.555 -0.518 1.00 6.34 O ATOM 643 CB GLN A 41 -6.500 1.802 -1.150 1.00 4.20 C ATOM 644 CG GLN A 41 -7.069 0.586 -1.942 1.00 3.20 C ATOM 645 CD GLN A 41 -5.976 -0.078 -2.801 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.787 -0.214 -2.366 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.370 -0.540 -3.956 1.00 7.13 N ATOM 0 H GLN A 41 -8.166 3.437 -2.237 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.124 2.067 0.341 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.981 2.461 -1.846 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.757 1.440 -0.439 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.482 -0.144 -1.246 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.888 0.916 -2.581 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.335 -0.404 -4.257 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.713 -1.037 -4.557 1.00 7.13 H new ATOM 656 N ARG A 42 -6.367 3.549 1.500 1.00 5.73 N ATOM 657 CA ARG A 42 -5.323 4.315 2.282 1.00 6.97 C ATOM 658 C ARG A 42 -4.336 3.346 2.741 1.00 7.15 C ATOM 659 O ARG A 42 -4.658 2.274 3.201 1.00 7.33 O ATOM 660 CB ARG A 42 -5.832 5.083 3.485 1.00 13.23 C ATOM 661 CG ARG A 42 -6.506 6.422 3.061 1.00 21.27 C ATOM 662 CD ARG A 42 -6.550 7.350 4.265 1.00 26.14 C ATOM 663 NE ARG A 42 -7.116 8.651 3.775 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.435 8.937 3.734 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.362 8.189 4.347 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.783 10.044 2.997 1.00 36.39 N ATOM 0 H ARG A 42 -6.862 2.877 2.086 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.925 5.073 1.607 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.548 4.471 4.033 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.004 5.289 4.164 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.947 6.885 2.248 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.514 6.237 2.690 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.170 6.930 5.057 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.553 7.492 4.682 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.462 9.365 3.452 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.083 7.362 4.874 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.347 8.447 4.287 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.062 10.590 2.525 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.762 10.320 2.922 1.00 36.39 H new ATOM 680 N LEU A 43 -3.045 3.677 2.662 1.00 4.65 N ATOM 681 CA LEU A 43 -1.975 2.809 3.151 1.00 3.51 C ATOM 682 C LEU A 43 -1.131 3.436 4.208 1.00 5.56 C ATOM 683 O LEU A 43 -0.906 4.606 4.118 1.00 4.19 O ATOM 684 CB LEU A 43 -1.036 2.434 1.994 1.00 3.74 C ATOM 685 CG LEU A 43 -1.561 1.483 0.933 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.857 1.429 -0.471 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.783 0.014 1.403 1.00 6.41 C ATOM 0 H LEU A 43 -2.714 4.553 2.258 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.477 1.941 3.578 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.733 3.356 1.497 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.136 1.993 2.423 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.511 1.995 0.777 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.361 0.698 -1.103 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.907 2.411 -0.941 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.186 1.141 -0.344 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.159 -0.581 0.571 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.838 -0.404 1.751 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.508 -0.002 2.217 1.00 6.41 H new ATOM 699 N ILE A 44 -0.689 2.672 5.214 1.00 4.58 N ATOM 700 CA ILE A 44 0.058 3.250 6.355 1.00 5.55 C ATOM 701 C ILE A 44 1.248 2.325 6.605 1.00 5.46 C ATOM 702 O ILE A 44 1.112 1.095 6.635 1.00 6.04 O ATOM 703 CB ILE A 44 -0.854 3.424 7.602 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.263 4.097 7.317 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.006 4.233 8.611 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.114 4.254 8.549 1.00 13.90 C ATOM 0 H ILE A 44 -0.830 1.663 5.269 1.00 4.58 H new ATOM 0 HA ILE A 44 0.413 4.256 6.133 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.143 2.446 7.987 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.104 5.077 6.867 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.803 3.495 6.586 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.583 4.398 9.521 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.901 3.678 8.851 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.262 5.194 8.173 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.062 4.720 8.280 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.304 3.274 8.988 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.594 4.881 9.273 1.00 13.90 H new ATOM 718 N PHE A 45 2.444 2.892 6.945 1.00 6.75 N ATOM 719 CA PHE A 45 3.629 2.076 7.265 1.00 4.70 C ATOM 720 C PHE A 45 4.279 2.846 8.444 1.00 6.34 C ATOM 721 O PHE A 45 4.484 4.058 8.397 1.00 5.45 O ATOM 722 CB PHE A 45 4.659 2.073 6.110 1.00 5.51 C ATOM 723 CG PHE A 45 5.958 1.464 6.472 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.030 0.129 6.865 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.165 2.175 6.502 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.233 -0.480 7.249 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.357 1.594 6.906 1.00 6.64 C ATOM 728 CZ PHE A 45 8.438 0.312 7.349 1.00 6.84 C ATOM 0 H PHE A 45 2.600 3.898 7.001 1.00 6.75 H new ATOM 0 HA PHE A 45 3.352 1.041 7.466 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.239 1.533 5.262 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.828 3.099 5.783 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.124 -0.459 6.874 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.167 3.212 6.200 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.259 -1.537 7.469 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.260 2.186 6.867 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.353 -0.093 7.754 1.00 6.84 H new ATOM 738 N ALA A 46 4.535 2.154 9.559 1.00 6.53 N ATOM 739 CA ALA A 46 5.215 2.708 10.673 1.00 7.15 C ATOM 740 C ALA A 46 4.766 4.094 11.282 1.00 9.00 C ATOM 741 O ALA A 46 5.486 4.952 11.732 1.00 11.15 O ATOM 742 CB ALA A 46 6.722 2.648 10.380 1.00 8.99 C ATOM 0 H ALA A 46 4.260 1.180 9.688 1.00 6.53 H new ATOM 0 HA ALA A 46 4.909 2.076 11.507 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.273 3.068 11.221 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.023 1.611 10.231 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.941 3.222 9.480 1.00 8.99 H new ATOM 748 N GLY A 47 3.452 4.273 11.242 1.00 9.35 N ATOM 749 CA GLY A 47 2.777 5.483 11.744 1.00 11.68 C ATOM 750 C GLY A 47 2.708 6.573 10.719 1.00 11.14 C ATOM 751 O GLY A 47 2.149 7.615 11.056 1.00 13.93 O ATOM 0 H GLY A 47 2.810 3.580 10.858 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.767 5.225 12.063 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.305 5.850 12.624 1.00 11.68 H new ATOM 755 N LYS A 48 3.047 6.323 9.449 1.00 10.47 N ATOM 756 CA LYS A 48 3.058 7.337 8.438 1.00 8.82 C ATOM 757 C LYS A 48 2.081 7.012 7.318 1.00 7.68 C ATOM 758 O LYS A 48 2.058 5.891 6.717 1.00 6.47 O ATOM 759 CB LYS A 48 4.473 7.426 7.861 1.00 9.74 C ATOM 760 CG LYS A 48 5.574 7.862 8.823 1.00 14.14 C ATOM 761 CD LYS A 48 6.950 7.660 8.153 1.00 16.32 C ATOM 762 CE LYS A 48 8.118 7.931 9.091 1.00 20.04 C ATOM 763 NZ LYS A 48 9.391 7.977 8.375 1.00 23.92 N ATOM 0 H LYS A 48 3.320 5.400 9.112 1.00 10.47 H new ATOM 0 HA LYS A 48 2.757 8.285 8.885 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.739 6.449 7.458 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.457 8.123 7.023 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.440 8.909 9.096 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.517 7.283 9.745 1.00 14.14 H new ATOM 0 HD2 LYS A 48 7.020 6.638 7.782 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.026 8.319 7.288 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.957 8.877 9.607 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.159 7.154 9.855 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 10.161 8.164 9.048 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.557 7.065 7.903 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.362 8.735 7.663 1.00 23.92 H new ATOM 777 N GLN A 49 1.147 7.883 6.972 1.00 8.89 N ATOM 778 CA GLN A 49 0.103 7.575 5.969 1.00 7.18 C ATOM 779 C GLN A 49 0.690 7.915 4.606 1.00 8.23 C ATOM 780 O GLN A 49 1.302 8.940 4.360 1.00 9.70 O ATOM 781 CB GLN A 49 -1.048 8.570 6.184 1.00 11.67 C ATOM 782 CG GLN A 49 -2.182 8.577 5.181 1.00 15.82 C ATOM 783 CD GLN A 49 -3.074 9.657 5.613 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.030 9.478 6.393 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.740 10.861 5.082 1.00 20.67 N ATOM 0 H GLN A 49 1.078 8.821 7.367 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.225 6.538 6.044 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.475 8.378 7.168 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.621 9.573 6.212 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.812 8.753 4.171 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.702 7.619 5.168 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.944 10.936 4.449 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.285 11.691 5.316 1.00 20.67 H new ATOM 794 N LEU A 50 0.649 6.943 3.685 1.00 6.51 N ATOM 795 CA LEU A 50 1.448 6.945 2.516 1.00 7.41 C ATOM 796 C LEU A 50 0.729 7.608 1.368 1.00 8.27 C ATOM 797 O LEU A 50 -0.396 7.266 0.996 1.00 8.34 O ATOM 798 CB LEU A 50 1.877 5.544 2.093 1.00 7.13 C ATOM 799 CG LEU A 50 2.539 4.667 3.259 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.951 3.249 2.781 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.731 5.332 3.936 1.00 9.11 C ATOM 0 H LEU A 50 0.038 6.130 3.760 1.00 6.51 H new ATOM 0 HA LEU A 50 2.344 7.512 2.767 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.007 5.013 1.707 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.589 5.629 1.272 1.00 7.13 H new ATOM 0 HG LEU A 50 1.744 4.579 4.000 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.394 2.699 3.612 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.071 2.716 2.421 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.678 3.334 1.974 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.122 4.675 4.713 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.509 5.523 3.197 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.416 6.275 4.383 1.00 9.11 H new ATOM 813 N GLU A 51 1.322 8.663 0.783 1.00 9.43 N ATOM 814 CA GLU A 51 0.702 9.423 -0.287 1.00 11.90 C ATOM 815 C GLU A 51 0.996 8.761 -1.651 1.00 11.49 C ATOM 816 O GLU A 51 2.103 8.280 -1.912 1.00 9.88 O ATOM 817 CB GLU A 51 1.116 10.874 -0.250 1.00 16.56 C ATOM 818 CG GLU A 51 0.381 11.728 -1.307 1.00 26.06 C ATOM 819 CD GLU A 51 0.647 13.222 -1.055 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.859 13.567 -1.159 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.236 14.034 -0.740 1.00 33.44 O ATOM 0 H GLU A 51 2.246 9.004 1.048 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.378 9.412 -0.140 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.917 11.280 0.742 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.191 10.946 -0.414 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.718 11.454 -2.307 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.690 11.529 -1.266 1.00 26.06 H new ATOM 828 N ASP A 52 0.022 8.768 -2.595 1.00 12.71 N ATOM 829 CA ASP A 52 -0.023 8.025 -3.829 1.00 16.56 C ATOM 830 C ASP A 52 1.090 8.252 -4.855 1.00 15.83 C ATOM 831 O ASP A 52 1.687 7.287 -5.338 1.00 17.21 O ATOM 832 CB ASP A 52 -1.429 8.319 -4.418 1.00 21.05 C ATOM 833 CG ASP A 52 -2.574 8.040 -3.445 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.801 8.732 -2.447 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.296 7.005 -3.718 1.00 25.82 O ATOM 0 H ASP A 52 -0.809 9.348 -2.480 1.00 12.71 H new ATOM 0 HA ASP A 52 0.158 6.977 -3.591 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.473 9.364 -4.726 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.571 7.716 -5.315 1.00 21.05 H new ATOM 840 N GLY A 53 1.533 9.525 -5.044 1.00 15.00 N ATOM 841 CA GLY A 53 2.573 9.939 -6.019 1.00 11.77 C ATOM 842 C GLY A 53 4.001 9.738 -5.601 1.00 11.10 C ATOM 843 O GLY A 53 4.944 9.852 -6.413 1.00 11.25 O ATOM 0 H GLY A 53 1.165 10.310 -4.507 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.409 9.391 -6.947 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.429 10.996 -6.244 1.00 11.77 H new ATOM 847 N ARG A 54 4.185 9.336 -4.317 1.00 8.53 N ATOM 848 CA ARG A 54 5.495 9.138 -3.835 1.00 9.05 C ATOM 849 C ARG A 54 5.844 7.653 -4.041 1.00 8.96 C ATOM 850 O ARG A 54 5.044 6.767 -4.365 1.00 11.60 O ATOM 851 CB ARG A 54 5.480 9.446 -2.344 1.00 7.97 C ATOM 852 CG ARG A 54 4.906 10.878 -2.136 1.00 9.62 C ATOM 853 CD ARG A 54 5.479 11.553 -0.875 1.00 12.20 C ATOM 854 NE ARG A 54 4.550 12.699 -0.656 1.00 18.23 N ATOM 855 CZ ARG A 54 4.769 13.594 0.345 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.940 13.847 0.948 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.707 14.301 0.676 1.00 23.38 N ATOM 0 H ARG A 54 3.438 9.158 -3.645 1.00 8.53 H new ATOM 0 HA ARG A 54 6.220 9.771 -4.347 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.871 8.714 -1.813 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.488 9.380 -1.934 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.133 11.490 -3.009 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.820 10.825 -2.057 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.489 10.873 -0.023 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.505 11.889 -1.028 1.00 12.20 H new ATOM 0 HE ARG A 54 3.740 12.813 -1.265 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.780 13.343 0.663 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.991 14.543 1.692 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.822 14.150 0.191 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.770 14.999 1.417 1.00 23.38 H new ATOM 871 N THR A 55 7.181 7.329 -3.896 1.00 9.05 N ATOM 872 CA THR A 55 7.754 6.014 -4.110 1.00 9.03 C ATOM 873 C THR A 55 8.037 5.289 -2.796 1.00 8.15 C ATOM 874 O THR A 55 8.155 5.903 -1.743 1.00 5.91 O ATOM 875 CB THR A 55 8.973 5.909 -5.026 1.00 11.15 C ATOM 876 OG1 THR A 55 10.110 6.665 -4.528 1.00 11.95 O ATOM 877 CG2 THR A 55 8.487 6.455 -6.318 1.00 11.71 C ATOM 0 H THR A 55 7.878 8.020 -3.618 1.00 9.05 H new ATOM 0 HA THR A 55 6.956 5.521 -4.665 1.00 9.03 H new ATOM 0 HB THR A 55 9.340 4.885 -5.103 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.883 6.070 -4.436 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.292 6.425 -7.052 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.649 5.856 -6.674 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.162 7.486 -6.178 1.00 11.71 H new ATOM 885 N LEU A 56 8.238 3.991 -2.862 1.00 6.91 N ATOM 886 CA LEU A 56 8.669 3.145 -1.778 1.00 8.29 C ATOM 887 C LEU A 56 10.079 3.564 -1.222 1.00 8.05 C ATOM 888 O LEU A 56 10.278 3.627 -0.017 1.00 10.17 O ATOM 889 CB LEU A 56 8.536 1.642 -2.161 1.00 6.60 C ATOM 890 CG LEU A 56 7.048 1.154 -2.304 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.875 -0.237 -2.915 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.370 1.111 -0.920 1.00 8.64 C ATOM 0 H LEU A 56 8.095 3.470 -3.727 1.00 6.91 H new ATOM 0 HA LEU A 56 7.997 3.292 -0.932 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.058 1.469 -3.102 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.036 1.038 -1.404 1.00 6.60 H new ATOM 0 HG LEU A 56 6.595 1.877 -2.983 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.814 -0.481 -2.970 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.303 -0.250 -3.917 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.384 -0.973 -2.293 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.340 0.772 -1.030 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.911 0.423 -0.271 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.379 2.108 -0.479 1.00 8.64 H new ATOM 904 N SER A 57 10.958 3.940 -2.195 1.00 8.92 N ATOM 905 CA SER A 57 12.261 4.531 -1.904 1.00 9.00 C ATOM 906 C SER A 57 12.158 5.859 -1.132 1.00 9.44 C ATOM 907 O SER A 57 12.872 6.080 -0.129 1.00 10.91 O ATOM 908 CB SER A 57 13.200 4.644 -3.106 1.00 10.32 C ATOM 909 OG SER A 57 12.541 5.319 -4.173 1.00 13.59 O ATOM 0 H SER A 57 10.768 3.835 -3.192 1.00 8.92 H new ATOM 0 HA SER A 57 12.733 3.804 -1.243 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.103 5.186 -2.824 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.512 3.651 -3.430 1.00 10.32 H new ATOM 0 HG SER A 57 13.148 5.390 -4.939 1.00 13.59 H new ATOM 915 N ASP A 58 11.195 6.677 -1.525 1.00 9.11 N ATOM 916 CA ASP A 58 11.002 7.954 -0.931 1.00 7.91 C ATOM 917 C ASP A 58 10.448 7.891 0.480 1.00 9.12 C ATOM 918 O ASP A 58 10.555 8.804 1.303 1.00 8.61 O ATOM 919 CB ASP A 58 10.169 8.773 -1.938 1.00 8.41 C ATOM 920 CG ASP A 58 10.342 10.264 -1.738 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.442 10.779 -1.385 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.270 10.904 -1.811 1.00 11.70 O ATOM 0 H ASP A 58 10.533 6.457 -2.269 1.00 9.11 H new ATOM 0 HA ASP A 58 11.952 8.459 -0.757 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.464 8.507 -2.953 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.116 8.513 -1.833 1.00 8.41 H new ATOM 927 N TYR A 59 9.852 6.759 0.865 1.00 7.97 N ATOM 928 CA TYR A 59 9.359 6.496 2.205 1.00 8.45 C ATOM 929 C TYR A 59 10.350 5.564 2.933 1.00 10.98 C ATOM 930 O TYR A 59 10.095 5.120 4.020 1.00 12.95 O ATOM 931 CB TYR A 59 7.927 5.928 2.177 1.00 7.94 C ATOM 932 CG TYR A 59 6.816 6.981 2.064 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.613 7.838 3.148 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.885 7.035 1.011 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.592 8.816 3.136 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.799 7.983 1.007 1.00 6.52 C ATOM 937 CZ TYR A 59 4.691 8.815 2.078 1.00 6.76 C ATOM 938 OH TYR A 59 3.644 9.772 2.030 1.00 7.63 O ATOM 0 H TYR A 59 9.698 5.979 0.226 1.00 7.97 H new ATOM 0 HA TYR A 59 9.297 7.432 2.760 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.841 5.239 1.337 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.765 5.346 3.084 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.251 7.752 4.015 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.986 6.348 0.184 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.514 9.545 3.929 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.099 8.031 0.186 1.00 6.52 H new ATOM 0 HH TYR A 59 3.731 10.311 1.216 1.00 7.63 H new ATOM 948 N ASN A 60 11.473 5.248 2.310 1.00 12.38 N ATOM 949 CA ASN A 60 12.511 4.397 2.740 1.00 13.94 C ATOM 950 C ASN A 60 12.021 3.058 3.257 1.00 14.16 C ATOM 951 O ASN A 60 12.383 2.689 4.397 1.00 14.26 O ATOM 952 CB ASN A 60 13.454 5.133 3.774 1.00 19.23 C ATOM 953 CG ASN A 60 14.173 6.347 3.228 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.273 6.247 2.653 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.586 7.558 3.418 1.00 24.09 N ATOM 0 H ASN A 60 11.678 5.638 1.390 1.00 12.38 H new ATOM 0 HA ASN A 60 13.104 4.158 1.857 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.858 5.438 4.634 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.196 4.422 4.137 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.047 8.406 3.087 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.685 7.619 3.891 1.00 24.09 H new ATOM 962 N ILE A 61 11.291 2.269 2.432 1.00 11.08 N ATOM 963 CA ILE A 61 10.744 0.976 2.812 1.00 11.78 C ATOM 964 C ILE A 61 11.690 -0.137 2.235 1.00 13.74 C ATOM 965 O ILE A 61 12.224 -0.083 1.151 1.00 14.60 O ATOM 966 CB ILE A 61 9.271 0.809 2.362 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.370 1.841 3.052 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.641 -0.594 2.667 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.153 2.296 2.324 1.00 11.42 C ATOM 0 H ILE A 61 11.071 2.532 1.471 1.00 11.08 H new ATOM 0 HA ILE A 61 10.711 0.890 3.898 1.00 11.78 H new ATOM 0 HB ILE A 61 9.315 0.941 1.281 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.052 1.423 4.007 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.976 2.720 3.274 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.609 -0.614 2.316 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.213 -1.369 2.156 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.662 -0.776 3.741 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.615 3.023 2.933 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.445 2.757 1.381 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.507 1.441 2.125 1.00 11.42 H new ATOM 981 N GLN A 62 11.917 -1.210 3.008 1.00 13.97 N ATOM 982 CA GLN A 62 12.748 -2.334 2.657 1.00 15.52 C ATOM 983 C GLN A 62 12.055 -3.670 2.660 1.00 13.94 C ATOM 984 O GLN A 62 10.972 -3.854 3.223 1.00 12.15 O ATOM 985 CB GLN A 62 14.040 -2.444 3.595 1.00 19.53 C ATOM 986 CG GLN A 62 15.184 -1.536 3.110 1.00 26.38 C ATOM 987 CD GLN A 62 16.431 -1.735 3.988 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.899 -2.859 4.205 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.882 -0.628 4.581 1.00 32.71 N ATOM 0 H GLN A 62 11.500 -1.306 3.934 1.00 13.97 H new ATOM 0 HA GLN A 62 13.032 -2.116 1.628 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.771 -2.174 4.616 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.383 -3.478 3.619 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.422 -1.763 2.071 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.869 -0.493 3.144 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.459 0.275 4.365 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.650 -0.685 5.250 1.00 32.71 H new ATOM 998 N LYS A 63 12.595 -4.700 1.918 1.00 11.73 N ATOM 999 CA LYS A 63 11.920 -6.013 1.868 1.00 11.97 C ATOM 1000 C LYS A 63 11.369 -6.562 3.228 1.00 10.41 C ATOM 1001 O LYS A 63 11.849 -6.270 4.349 1.00 9.59 O ATOM 1002 CB LYS A 63 12.930 -7.023 1.310 1.00 13.73 C ATOM 1003 CG LYS A 63 14.221 -7.182 2.173 1.00 16.98 C ATOM 1004 CD LYS A 63 15.227 -8.269 1.919 1.00 20.19 C ATOM 1005 CE LYS A 63 15.427 -8.517 0.376 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.102 -9.853 0.239 1.00 25.97 N ATOM 0 H LYS A 63 13.457 -4.635 1.376 1.00 11.73 H new ATOM 0 HA LYS A 63 11.036 -5.874 1.245 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.444 -7.995 1.222 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.215 -6.716 0.304 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.759 -6.236 2.108 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.895 -7.293 3.207 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.180 -7.998 2.372 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.897 -9.191 2.398 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.469 -8.512 -0.144 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.035 -7.729 -0.067 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.256 -10.062 -0.768 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.017 -9.832 0.732 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.500 -10.591 0.658 1.00 25.97 H new ATOM 1020 N GLU A 64 10.243 -7.296 3.146 1.00 10.04 N ATOM 1021 CA GLU A 64 9.546 -8.010 4.212 1.00 10.94 C ATOM 1022 C GLU A 64 9.060 -7.248 5.356 1.00 9.74 C ATOM 1023 O GLU A 64 8.689 -7.824 6.379 1.00 9.42 O ATOM 1024 CB GLU A 64 10.424 -9.222 4.691 1.00 18.31 C ATOM 1025 CG GLU A 64 11.002 -10.157 3.613 1.00 24.16 C ATOM 1026 CD GLU A 64 11.660 -11.352 4.248 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.011 -12.182 4.960 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.893 -11.477 4.053 1.00 32.61 O ATOM 0 H GLU A 64 9.764 -7.409 2.253 1.00 10.04 H new ATOM 0 HA GLU A 64 8.618 -8.328 3.737 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.256 -8.824 5.271 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.821 -9.825 5.370 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.207 -10.485 2.944 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.727 -9.616 3.005 1.00 24.16 H new ATOM 1035 N SER A 65 8.979 -5.967 5.164 1.00 6.85 N ATOM 1036 CA SER A 65 8.152 -4.964 5.880 1.00 6.90 C ATOM 1037 C SER A 65 6.656 -5.275 5.785 1.00 4.72 C ATOM 1038 O SER A 65 6.187 -5.751 4.775 1.00 3.91 O ATOM 1039 CB SER A 65 8.322 -3.529 5.332 1.00 7.28 C ATOM 1040 OG SER A 65 9.704 -3.123 5.373 1.00 10.56 O ATOM 0 H SER A 65 9.536 -5.523 4.434 1.00 6.85 H new ATOM 0 HA SER A 65 8.507 -5.021 6.909 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.955 -3.481 4.307 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.718 -2.837 5.919 1.00 7.28 H new ATOM 0 HG SER A 65 10.159 -3.427 4.560 1.00 10.56 H new ATOM 1046 N THR A 66 5.953 -4.934 6.929 1.00 4.48 N ATOM 1047 CA THR A 66 4.534 -5.140 7.039 1.00 3.80 C ATOM 1048 C THR A 66 3.925 -3.773 7.018 1.00 4.60 C ATOM 1049 O THR A 66 4.414 -2.849 7.634 1.00 5.33 O ATOM 1050 CB THR A 66 4.079 -5.927 8.223 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.735 -7.232 8.287 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.594 -6.305 8.058 1.00 3.40 C ATOM 0 H THR A 66 6.382 -4.521 7.757 1.00 4.48 H new ATOM 0 HA THR A 66 4.209 -5.766 6.208 1.00 3.80 H new ATOM 0 HB THR A 66 4.292 -5.306 9.093 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.416 -7.720 9.074 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.266 -6.879 8.925 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.995 -5.398 7.976 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.469 -6.905 7.157 1.00 3.40 H new ATOM 1060 N LEU A 67 2.888 -3.553 6.170 1.00 4.17 N ATOM 1061 CA LEU A 67 2.315 -2.296 5.802 1.00 3.85 C ATOM 1062 C LEU A 67 0.807 -2.467 6.066 1.00 3.80 C ATOM 1063 O LEU A 67 0.302 -3.608 6.195 1.00 5.54 O ATOM 1064 CB LEU A 67 2.493 -1.915 4.357 1.00 7.18 C ATOM 1065 CG LEU A 67 3.955 -1.740 3.868 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.532 -2.875 3.021 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.194 -0.392 3.192 1.00 11.66 C ATOM 0 H LEU A 67 2.417 -4.330 5.707 1.00 4.17 H new ATOM 0 HA LEU A 67 2.807 -1.507 6.371 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.015 -2.677 3.741 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.959 -0.981 4.181 1.00 7.18 H new ATOM 0 HG LEU A 67 4.515 -1.778 4.802 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.558 -2.635 2.741 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.520 -3.801 3.596 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.930 -2.999 2.121 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.233 -0.325 2.871 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.539 -0.298 2.325 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.980 0.411 3.897 1.00 11.66 H new ATOM 1079 N HIS A 68 0.014 -1.380 6.272 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.363 -1.452 6.768 1.00 4.17 C ATOM 1081 C HIS A 68 -2.343 -0.829 5.745 1.00 5.32 C ATOM 1082 O HIS A 68 -2.084 0.243 5.147 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.440 -0.678 8.084 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.474 -1.097 9.212 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.758 -0.564 9.263 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.574 -2.014 10.245 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.400 -1.249 10.315 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.604 -2.169 10.861 1.00 16.30 N ATOM 0 H HIS A 68 0.328 -0.426 6.093 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.642 -2.495 6.919 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.266 0.376 7.866 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.458 -0.761 8.464 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.143 0.173 8.672 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.481 -2.534 10.517 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.412 -1.053 10.639 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.365 -1.604 5.472 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.401 -1.211 4.474 1.00 3.97 C ATOM 1098 C LEU A 69 -5.631 -0.742 5.216 1.00 5.07 C ATOM 1099 O LEU A 69 -6.045 -1.432 6.172 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.718 -2.397 3.595 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.726 -2.139 2.456 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.126 -1.081 1.478 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.150 -3.374 1.645 1.00 9.96 C ATOM 0 H LEU A 69 -3.525 -2.511 5.910 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.040 -0.401 3.840 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.788 -2.759 3.156 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.107 -3.198 4.224 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.633 -1.791 2.951 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.832 -0.892 0.669 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.936 -0.153 2.018 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.191 -1.458 1.063 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.859 -3.076 0.873 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.272 -3.822 1.179 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.620 -4.101 2.308 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.146 0.370 4.834 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.339 1.012 5.373 1.00 6.26 C ATOM 1117 C VAL A 70 -8.279 1.393 4.242 1.00 9.22 C ATOM 1118 O VAL A 70 -7.854 1.880 3.191 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.028 2.319 6.089 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.247 3.196 6.519 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.138 2.120 7.310 1.00 8.54 C ATOM 0 H VAL A 70 -5.729 0.915 4.079 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.774 0.292 6.066 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.510 2.872 5.305 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.889 4.097 7.018 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.824 3.474 5.637 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.879 2.630 7.203 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.948 3.084 7.782 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.636 1.460 8.020 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.192 1.674 7.002 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.619 1.138 4.348 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.514 1.401 3.305 1.00 16.06 C ATOM 1133 C LEU A 71 -11.529 2.437 3.738 1.00 18.09 C ATOM 1134 O LEU A 71 -12.231 2.248 4.719 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.334 0.186 2.903 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.509 -0.987 2.457 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.494 -2.086 2.026 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.528 -0.667 1.351 1.00 19.57 C ATOM 0 H LEU A 71 -10.055 0.744 5.182 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.894 1.730 2.471 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.952 -0.118 3.748 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.012 0.468 2.097 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.880 -1.310 3.287 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.938 -2.962 1.692 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.128 -2.358 2.870 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.115 -1.718 1.210 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.972 -1.566 1.087 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.070 -0.306 0.477 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.834 0.102 1.691 1.00 19.57 H new