USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 129:sc= 0.651 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.518 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00651) USER MOD Single : A 1 MET N :NH3+ -163:sc= 2.32 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0.0783 X(o=0.078,f=-0.0034) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 0.944 (180deg=-0.669!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.0228 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.776 K(o=0.78,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc=-0.00651 (180deg=-0.146) USER MOD Single : A 31 GLN : amide:sc= -0.348 K(o=-0.35,f=-0.93) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= -0.0318 (180deg=-0.0491) USER MOD Single : A 40 GLN : amide:sc=-0.00189 K(o=-0.0019,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= 0.534 K(o=0.53,f=-3.3!) 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= -0.0525 USER MOD Single : A 60 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= 1.21 (180deg=-0.374) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0844 K(o=0.084,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.346 -7.159 -4.540 1.00 9.67 N ATOM 2 CA MET A 1 11.521 -7.421 -3.097 1.00 10.38 C ATOM 3 C MET A 1 10.102 -7.873 -2.643 1.00 9.62 C ATOM 4 O MET A 1 9.140 -7.327 -3.189 1.00 9.62 O ATOM 5 CB MET A 1 12.053 -6.269 -2.263 1.00 13.77 C ATOM 6 CG MET A 1 11.115 -5.010 -2.066 1.00 16.29 C ATOM 7 SD MET A 1 11.885 -3.756 -0.979 1.00 17.17 S ATOM 8 CE MET A 1 10.487 -2.741 -0.791 1.00 16.11 C ATOM 0 H1 MET A 1 12.277 -7.129 -5.003 1.00 9.67 H new ATOM 0 H2 MET A 1 10.773 -7.917 -4.963 1.00 9.67 H new ATOM 0 H3 MET A 1 10.865 -6.246 -4.671 1.00 9.67 H new ATOM 0 HA MET A 1 12.303 -8.164 -2.940 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.305 -6.657 -1.276 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.983 -5.927 -2.718 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.895 -4.565 -3.036 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.164 -5.328 -1.638 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.745 -1.876 -0.180 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.147 -2.405 -1.771 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.691 -3.305 -0.305 1.00 16.11 H new ATOM 20 N GLN A 2 9.894 -8.786 -1.688 1.00 9.27 N ATOM 21 CA GLN A 2 8.597 -9.035 -1.099 1.00 9.07 C ATOM 22 C GLN A 2 8.175 -7.967 -0.148 1.00 8.72 C ATOM 23 O GLN A 2 9.036 -7.410 0.514 1.00 8.22 O ATOM 24 CB GLN A 2 8.539 -10.322 -0.356 1.00 14.46 C ATOM 25 CG GLN A 2 8.716 -11.581 -1.247 1.00 17.01 C ATOM 26 CD GLN A 2 7.438 -12.156 -1.883 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.937 -13.081 -1.241 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.027 -11.740 -3.069 1.00 19.49 N ATOM 0 H GLN A 2 10.636 -9.373 -1.306 1.00 9.27 H new ATOM 0 HA GLN A 2 7.923 -9.062 -1.955 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.314 -10.321 0.410 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.581 -10.388 0.160 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.416 -11.338 -2.047 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.179 -12.363 -0.645 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.502 -10.964 -3.530 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.235 -12.195 -3.523 1.00 19.49 H new ATOM 37 N ILE A 3 6.864 -7.600 -0.113 1.00 5.87 N ATOM 38 CA ILE A 3 6.267 -6.871 1.024 1.00 5.07 C ATOM 39 C ILE A 3 5.074 -7.651 1.584 1.00 4.01 C ATOM 40 O ILE A 3 4.554 -8.586 0.928 1.00 4.61 O ATOM 41 CB ILE A 3 5.912 -5.407 0.808 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.831 -5.218 -0.293 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.190 -4.588 0.466 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.335 -3.792 -0.423 1.00 10.83 C ATOM 0 H ILE A 3 6.205 -7.801 -0.865 1.00 5.87 H new ATOM 0 HA ILE A 3 7.077 -6.816 1.752 1.00 5.07 H new ATOM 0 HB ILE A 3 5.486 -5.035 1.740 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.241 -5.539 -1.251 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.985 -5.869 -0.074 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.922 -3.542 0.314 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.902 -4.664 1.288 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.642 -4.983 -0.444 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.583 -3.739 -1.211 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.894 -3.472 0.521 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.170 -3.138 -0.674 1.00 10.83 H new ATOM 56 N PHE A 4 4.529 -7.290 2.794 1.00 4.55 N ATOM 57 CA PHE A 4 3.251 -7.749 3.263 1.00 4.68 C ATOM 58 C PHE A 4 2.341 -6.541 3.333 1.00 5.30 C ATOM 59 O PHE A 4 2.759 -5.442 3.762 1.00 5.58 O ATOM 60 CB PHE A 4 3.224 -8.260 4.727 1.00 4.83 C ATOM 61 CG PHE A 4 3.980 -9.505 4.912 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.613 -10.696 4.309 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.345 -9.459 5.400 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.417 -11.880 4.286 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.136 -10.591 5.362 1.00 10.61 C ATOM 66 CZ PHE A 4 5.663 -11.830 4.841 1.00 8.90 C ATOM 0 H PHE A 4 5.000 -6.665 3.448 1.00 4.55 H new ATOM 0 HA PHE A 4 2.974 -8.555 2.584 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.634 -7.491 5.382 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.190 -8.420 5.031 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.650 -10.734 3.821 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.745 -8.536 5.795 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.047 -12.791 3.840 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.146 -10.535 5.740 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.280 -12.715 4.885 1.00 8.90 H new ATOM 76 N VAL A 5 1.093 -6.670 2.875 1.00 4.44 N ATOM 77 CA VAL A 5 0.097 -5.639 2.980 1.00 3.87 C ATOM 78 C VAL A 5 -1.036 -6.239 3.736 1.00 4.93 C ATOM 79 O VAL A 5 -1.488 -7.346 3.435 1.00 6.84 O ATOM 80 CB VAL A 5 -0.392 -5.173 1.617 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.525 -4.143 1.918 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.738 -4.478 0.869 1.00 9.13 C ATOM 0 H VAL A 5 0.756 -7.516 2.415 1.00 4.44 H new ATOM 0 HA VAL A 5 0.516 -4.764 3.476 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.738 -6.005 1.003 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.928 -3.761 0.980 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.319 -4.631 2.483 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.120 -3.316 2.502 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.380 -4.147 -0.106 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.077 -3.615 1.442 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.567 -5.173 0.734 1.00 9.13 H new ATOM 92 N LYS A 6 -1.375 -5.662 4.877 1.00 6.04 N ATOM 93 CA LYS A 6 -2.118 -6.243 5.980 1.00 6.12 C ATOM 94 C LYS A 6 -3.378 -5.438 6.422 1.00 6.57 C ATOM 95 O LYS A 6 -3.392 -4.257 6.783 1.00 5.76 O ATOM 96 CB LYS A 6 -1.120 -6.373 7.142 1.00 7.45 C ATOM 97 CG LYS A 6 -1.530 -7.261 8.311 1.00 11.12 C ATOM 98 CD LYS A 6 -0.536 -7.397 9.478 1.00 14.54 C ATOM 99 CE LYS A 6 -1.249 -8.151 10.623 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.267 -8.808 11.490 1.00 20.55 N ATOM 0 H LYS A 6 -1.115 -4.695 5.070 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.525 -7.202 5.658 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.181 -6.754 6.741 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.919 -5.374 7.530 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.469 -6.879 8.711 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.731 -8.259 7.922 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.354 -7.940 9.160 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.207 -6.414 9.815 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.851 -7.454 11.207 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.932 -8.893 10.209 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.761 -9.311 12.255 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.289 -9.487 10.932 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.368 -8.093 11.899 1.00 20.55 H new ATOM 114 N THR A 7 -4.519 -6.111 6.533 1.00 7.41 N ATOM 115 CA THR A 7 -5.792 -5.503 6.737 1.00 7.48 C ATOM 116 C THR A 7 -6.251 -5.709 8.141 1.00 8.75 C ATOM 117 O THR A 7 -5.877 -6.731 8.761 1.00 8.58 O ATOM 118 CB THR A 7 -6.884 -5.889 5.728 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.920 -7.269 5.610 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.636 -5.262 4.344 1.00 9.17 C ATOM 0 H THR A 7 -4.564 -7.129 6.479 1.00 7.41 H new ATOM 0 HA THR A 7 -5.629 -4.441 6.553 1.00 7.48 H new ATOM 0 HB THR A 7 -7.837 -5.509 6.097 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.616 -7.524 4.969 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.432 -5.561 3.661 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.624 -4.176 4.434 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.677 -5.605 3.956 1.00 9.17 H new ATOM 128 N LEU A 8 -7.039 -4.705 8.711 1.00 9.84 N ATOM 129 CA LEU A 8 -7.357 -4.695 10.101 1.00 14.15 C ATOM 130 C LEU A 8 -8.400 -5.689 10.370 1.00 17.37 C ATOM 131 O LEU A 8 -8.438 -6.209 11.488 1.00 17.01 O ATOM 132 CB LEU A 8 -7.898 -3.297 10.727 1.00 16.63 C ATOM 133 CG LEU A 8 -6.820 -2.220 10.991 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.469 -0.894 11.361 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.841 -2.667 12.110 1.00 18.59 C ATOM 0 H LEU A 8 -7.434 -3.926 8.185 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.397 -4.900 10.575 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.643 -2.881 10.049 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.407 -3.513 11.666 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.249 -2.089 10.072 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.695 -0.148 11.543 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.108 -0.561 10.543 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.069 -1.022 12.262 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.095 -1.889 12.273 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.396 -2.836 13.033 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.344 -3.590 11.811 1.00 18.59 H new ATOM 147 N THR A 9 -9.263 -6.097 9.389 1.00 18.33 N ATOM 148 CA THR A 9 -10.267 -7.081 9.651 1.00 19.24 C ATOM 149 C THR A 9 -9.794 -8.499 9.734 1.00 19.48 C ATOM 150 O THR A 9 -10.499 -9.320 10.236 1.00 23.14 O ATOM 151 CB THR A 9 -11.390 -7.006 8.568 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.834 -6.900 7.227 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.272 -5.770 8.914 1.00 19.70 C ATOM 0 H THR A 9 -9.254 -5.742 8.433 1.00 18.33 H new ATOM 0 HA THR A 9 -10.630 -6.825 10.647 1.00 19.24 H new ATOM 0 HB THR A 9 -11.986 -7.919 8.574 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.563 -6.857 6.573 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.073 -5.678 8.181 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.702 -5.897 9.907 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.659 -4.869 8.896 1.00 19.70 H new ATOM 161 N GLY A 10 -8.563 -8.740 9.258 1.00 19.43 N ATOM 162 CA GLY A 10 -7.909 -10.027 9.181 1.00 18.74 C ATOM 163 C GLY A 10 -7.589 -10.471 7.839 1.00 17.62 C ATOM 164 O GLY A 10 -8.417 -11.117 7.191 1.00 19.74 O ATOM 0 H GLY A 10 -7.975 -7.988 8.899 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.988 -9.986 9.763 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.550 -10.773 9.651 1.00 18.74 H new ATOM 168 N LYS A 11 -6.346 -10.188 7.375 1.00 13.56 N ATOM 169 CA LYS A 11 -5.799 -10.756 6.118 1.00 11.91 C ATOM 170 C LYS A 11 -4.458 -10.102 5.865 1.00 10.18 C ATOM 171 O LYS A 11 -4.262 -8.898 6.066 1.00 9.10 O ATOM 172 CB LYS A 11 -6.658 -10.567 4.832 1.00 13.43 C ATOM 173 CG LYS A 11 -6.155 -11.374 3.632 1.00 16.69 C ATOM 174 CD LYS A 11 -7.066 -11.271 2.389 1.00 17.92 C ATOM 175 CE LYS A 11 -6.784 -12.311 1.308 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.553 -11.974 0.038 1.00 21.93 N ATOM 0 H LYS A 11 -5.699 -9.564 7.858 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.760 -11.832 6.285 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.687 -10.856 5.047 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.672 -9.510 4.567 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.155 -11.031 3.368 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.067 -12.421 3.921 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.104 -11.368 2.706 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.957 -10.277 1.956 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.715 -12.345 1.096 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.070 -13.301 1.663 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.959 -12.176 -0.791 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.418 -12.549 -0.007 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.808 -10.966 0.044 1.00 21.93 H new ATOM 190 N THR A 12 -3.440 -10.884 5.519 1.00 9.63 N ATOM 191 CA THR A 12 -2.096 -10.431 5.112 1.00 9.85 C ATOM 192 C THR A 12 -1.822 -10.970 3.691 1.00 11.66 C ATOM 193 O THR A 12 -1.944 -12.192 3.462 1.00 12.33 O ATOM 194 CB THR A 12 -0.958 -10.987 5.993 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.245 -10.649 7.331 1.00 10.91 O ATOM 196 CG2 THR A 12 0.435 -10.517 5.604 1.00 9.63 C ATOM 0 H THR A 12 -3.524 -11.900 5.511 1.00 9.63 H new ATOM 0 HA THR A 12 -2.100 -9.344 5.190 1.00 9.85 H new ATOM 0 HB THR A 12 -0.928 -12.067 5.848 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.537 -10.993 7.914 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.169 -10.958 6.278 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.650 -10.825 4.581 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.485 -9.430 5.674 1.00 9.63 H new ATOM 204 N ILE A 13 -1.504 -10.088 2.701 1.00 10.42 N ATOM 205 CA ILE A 13 -1.266 -10.465 1.290 1.00 11.84 C ATOM 206 C ILE A 13 0.175 -10.086 1.031 1.00 10.55 C ATOM 207 O ILE A 13 0.703 -9.146 1.576 1.00 11.92 O ATOM 208 CB ILE A 13 -2.260 -9.897 0.323 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.247 -8.425 0.184 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.680 -10.417 0.722 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.162 -7.874 -0.963 1.00 16.46 C ATOM 0 H ILE A 13 -1.406 -9.087 2.869 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.421 -11.531 1.125 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.970 -10.246 -0.668 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.562 -7.980 1.128 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.223 -8.098 0.004 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.422 -10.016 0.031 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.694 -11.506 0.678 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.915 -10.092 1.735 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.092 -6.787 -0.994 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.836 -8.286 -1.918 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.195 -8.166 -0.776 1.00 16.46 H new ATOM 223 N THR A 14 0.794 -10.872 0.198 1.00 9.39 N ATOM 224 CA THR A 14 2.221 -10.818 -0.021 1.00 9.63 C ATOM 225 C THR A 14 2.380 -10.362 -1.404 1.00 11.20 C ATOM 226 O THR A 14 1.719 -10.852 -2.292 1.00 11.63 O ATOM 227 CB THR A 14 2.959 -12.162 0.189 1.00 10.38 C ATOM 228 OG1 THR A 14 2.411 -12.792 1.375 1.00 16.30 O ATOM 229 CG2 THR A 14 4.475 -11.946 0.527 1.00 11.66 C ATOM 0 H THR A 14 0.319 -11.582 -0.360 1.00 9.39 H new ATOM 0 HA THR A 14 2.672 -10.152 0.715 1.00 9.63 H new ATOM 0 HB THR A 14 2.845 -12.744 -0.725 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.952 -12.547 2.155 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.958 -12.913 0.667 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.958 -11.414 -0.293 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.564 -11.360 1.442 1.00 11.66 H new ATOM 237 N LEU A 15 3.258 -9.381 -1.645 1.00 8.29 N ATOM 238 CA LEU A 15 3.333 -8.823 -2.960 1.00 9.03 C ATOM 239 C LEU A 15 4.805 -8.874 -3.358 1.00 8.59 C ATOM 240 O LEU A 15 5.680 -8.954 -2.495 1.00 7.79 O ATOM 241 CB LEU A 15 2.832 -7.347 -3.063 1.00 11.08 C ATOM 242 CG LEU A 15 1.334 -7.133 -2.766 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.974 -5.693 -2.851 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.426 -7.864 -3.751 1.00 15.27 C ATOM 0 H LEU A 15 3.898 -8.981 -0.959 1.00 8.29 H new ATOM 0 HA LEU A 15 2.679 -9.399 -3.615 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.413 -6.735 -2.372 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.042 -6.980 -4.068 1.00 11.08 H new ATOM 0 HG LEU A 15 1.183 -7.527 -1.761 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.088 -5.570 -2.637 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.558 -5.128 -2.124 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.187 -5.323 -3.854 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.616 -7.677 -3.493 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.620 -7.503 -4.761 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.625 -8.935 -3.704 1.00 15.27 H new ATOM 256 N GLU A 16 5.154 -8.693 -4.656 1.00 11.04 N ATOM 257 CA GLU A 16 6.484 -8.521 -5.085 1.00 11.50 C ATOM 258 C GLU A 16 6.493 -7.166 -5.759 1.00 10.13 C ATOM 259 O GLU A 16 5.581 -6.831 -6.569 1.00 9.83 O ATOM 260 CB GLU A 16 6.790 -9.667 -6.046 1.00 17.22 C ATOM 261 CG GLU A 16 8.177 -9.757 -6.781 1.00 23.33 C ATOM 262 CD GLU A 16 9.338 -9.831 -5.825 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.287 -10.592 -4.835 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.320 -9.083 -6.008 1.00 28.90 O ATOM 0 H GLU A 16 4.474 -8.669 -5.416 1.00 11.04 H new ATOM 0 HA GLU A 16 7.238 -8.544 -4.298 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.663 -10.595 -5.488 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.020 -9.652 -6.817 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.186 -10.636 -7.425 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.298 -8.887 -7.427 1.00 23.33 H new ATOM 271 N VAL A 17 7.359 -6.280 -5.282 1.00 8.99 N ATOM 272 CA VAL A 17 7.442 -4.849 -5.564 1.00 8.85 C ATOM 273 C VAL A 17 8.883 -4.428 -5.591 1.00 8.04 C ATOM 274 O VAL A 17 9.702 -5.170 -5.067 1.00 8.99 O ATOM 275 CB VAL A 17 6.763 -3.983 -4.479 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.201 -4.205 -4.471 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.324 -4.317 -3.068 1.00 10.54 C ATOM 0 H VAL A 17 8.087 -6.569 -4.629 1.00 8.99 H new ATOM 0 HA VAL A 17 6.938 -4.698 -6.518 1.00 8.85 H new ATOM 0 HB VAL A 17 6.979 -2.942 -4.718 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.749 -3.583 -3.698 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.790 -3.932 -5.443 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.984 -5.253 -4.267 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.829 -3.694 -2.323 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.140 -5.367 -2.842 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.397 -4.124 -3.048 1.00 10.54 H new ATOM 287 N GLU A 18 9.238 -3.349 -6.232 1.00 7.29 N ATOM 288 CA GLU A 18 10.571 -2.805 -6.258 1.00 7.08 C ATOM 289 C GLU A 18 10.575 -1.577 -5.439 1.00 6.45 C ATOM 290 O GLU A 18 9.564 -0.945 -5.152 1.00 5.28 O ATOM 291 CB GLU A 18 10.916 -2.376 -7.689 1.00 10.28 C ATOM 292 CG GLU A 18 10.763 -3.502 -8.751 1.00 12.65 C ATOM 293 CD GLU A 18 11.832 -4.499 -8.584 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.864 -4.259 -7.885 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.696 -5.612 -9.132 1.00 18.17 O ATOM 0 H GLU A 18 8.575 -2.798 -6.777 1.00 7.29 H new ATOM 0 HA GLU A 18 11.279 -3.549 -5.893 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.276 -1.540 -7.969 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.943 -2.012 -7.709 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.789 -3.980 -8.648 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.805 -3.076 -9.753 1.00 12.65 H new ATOM 302 N PRO A 19 11.661 -1.083 -4.847 1.00 7.24 N ATOM 303 CA PRO A 19 11.713 0.082 -3.971 1.00 7.07 C ATOM 304 C PRO A 19 11.541 1.305 -4.730 1.00 6.65 C ATOM 305 O PRO A 19 11.016 2.323 -4.215 1.00 6.37 O ATOM 306 CB PRO A 19 13.122 -0.006 -3.377 1.00 7.61 C ATOM 307 CG PRO A 19 13.953 -0.719 -4.423 1.00 8.16 C ATOM 308 CD PRO A 19 12.979 -1.769 -4.968 1.00 7.49 C ATOM 0 HA PRO A 19 10.927 0.095 -3.215 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.522 0.986 -3.166 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.118 -0.556 -2.436 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.293 -0.038 -5.203 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.842 -1.177 -3.990 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.205 -2.034 -6.001 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.011 -2.691 -4.388 1.00 7.49 H new ATOM 316 N SER A 20 11.804 1.322 -6.055 1.00 6.80 N ATOM 317 CA SER A 20 11.517 2.404 -6.944 1.00 6.28 C ATOM 318 C SER A 20 10.077 2.485 -7.519 1.00 8.45 C ATOM 319 O SER A 20 9.784 3.358 -8.323 1.00 7.26 O ATOM 320 CB SER A 20 12.392 2.246 -8.240 1.00 8.57 C ATOM 321 OG SER A 20 12.242 0.976 -8.903 1.00 11.13 O ATOM 0 H SER A 20 12.243 0.532 -6.528 1.00 6.80 H new ATOM 0 HA SER A 20 11.702 3.279 -6.321 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.132 3.041 -8.939 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.441 2.384 -7.976 1.00 8.57 H new ATOM 0 HG SER A 20 12.814 0.953 -9.699 1.00 11.13 H new ATOM 327 N ASP A 21 9.212 1.514 -7.110 1.00 7.50 N ATOM 328 CA ASP A 21 7.837 1.560 -7.426 1.00 7.70 C ATOM 329 C ASP A 21 7.180 2.676 -6.640 1.00 7.08 C ATOM 330 O ASP A 21 7.652 3.124 -5.575 1.00 8.11 O ATOM 331 CB ASP A 21 7.078 0.243 -7.213 1.00 11.00 C ATOM 332 CG ASP A 21 7.479 -0.811 -8.181 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.718 -0.498 -9.381 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.649 -2.000 -7.813 1.00 18.03 O ATOM 0 H ASP A 21 9.489 0.702 -6.558 1.00 7.50 H new ATOM 0 HA ASP A 21 7.781 1.747 -8.498 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.255 -0.114 -6.199 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.007 0.426 -7.304 1.00 11.00 H new ATOM 339 N THR A 22 6.033 3.198 -7.135 1.00 5.37 N ATOM 340 CA THR A 22 5.261 4.196 -6.391 1.00 6.01 C ATOM 341 C THR A 22 4.131 3.626 -5.596 1.00 8.01 C ATOM 342 O THR A 22 3.685 2.521 -5.866 1.00 8.11 O ATOM 343 CB THR A 22 4.614 5.356 -7.213 1.00 8.92 C ATOM 344 OG1 THR A 22 3.940 4.904 -8.342 1.00 10.22 O ATOM 345 CG2 THR A 22 5.707 6.292 -7.597 1.00 9.65 C ATOM 0 H THR A 22 5.633 2.942 -8.038 1.00 5.37 H new ATOM 0 HA THR A 22 6.061 4.594 -5.766 1.00 6.01 H new ATOM 0 HB THR A 22 3.864 5.853 -6.598 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.553 5.667 -8.819 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.292 7.118 -8.175 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.185 6.681 -6.698 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.445 5.762 -8.200 1.00 9.65 H new ATOM 353 N ILE A 23 3.629 4.351 -4.616 1.00 8.32 N ATOM 354 CA ILE A 23 2.421 3.998 -3.764 1.00 9.92 C ATOM 355 C ILE A 23 1.219 3.757 -4.643 1.00 10.01 C ATOM 356 O ILE A 23 0.508 2.773 -4.457 1.00 8.71 O ATOM 357 CB ILE A 23 2.120 4.974 -2.634 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.301 5.235 -1.750 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.827 4.571 -1.861 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.766 3.939 -1.001 1.00 12.30 C ATOM 0 H ILE A 23 4.040 5.246 -4.350 1.00 8.32 H new ATOM 0 HA ILE A 23 2.679 3.075 -3.245 1.00 9.92 H new ATOM 0 HB ILE A 23 1.911 5.941 -3.092 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.124 5.624 -2.349 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.046 6.004 -1.021 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.642 5.289 -1.062 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.020 4.565 -2.547 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.954 3.577 -1.433 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.624 4.171 -0.371 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.951 3.565 -0.381 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.046 3.178 -1.730 1.00 12.30 H new ATOM 372 N GLU A 24 1.098 4.580 -5.704 1.00 9.54 N ATOM 373 CA GLU A 24 0.226 4.331 -6.820 1.00 11.81 C ATOM 374 C GLU A 24 0.360 2.957 -7.499 1.00 11.14 C ATOM 375 O GLU A 24 -0.563 2.212 -7.863 1.00 10.62 O ATOM 376 CB GLU A 24 0.417 5.483 -7.855 1.00 19.24 C ATOM 377 CG GLU A 24 -0.619 5.522 -8.988 1.00 27.76 C ATOM 378 CD GLU A 24 -0.479 6.713 -9.934 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.641 6.897 -10.493 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.495 7.455 -10.126 1.00 34.80 O ATOM 0 H GLU A 24 1.624 5.449 -5.790 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.785 4.308 -6.413 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.388 6.435 -7.325 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.410 5.394 -8.295 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.539 4.602 -9.568 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.617 5.537 -8.550 1.00 27.76 H new ATOM 387 N ASN A 25 1.617 2.508 -7.768 1.00 9.43 N ATOM 388 CA ASN A 25 1.846 1.219 -8.410 1.00 10.96 C ATOM 389 C ASN A 25 1.344 0.045 -7.457 1.00 9.68 C ATOM 390 O ASN A 25 0.801 -0.909 -7.932 1.00 9.33 O ATOM 391 CB ASN A 25 3.302 0.881 -8.847 1.00 16.78 C ATOM 392 CG ASN A 25 3.938 1.902 -9.770 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.171 2.021 -9.594 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.293 2.573 -10.688 1.00 24.70 N ATOM 0 H ASN A 25 2.467 3.026 -7.546 1.00 9.43 H new ATOM 0 HA ASN A 25 1.280 1.305 -9.337 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.921 0.782 -7.955 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.302 -0.089 -9.345 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.796 3.222 -11.293 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.287 2.447 -10.799 1.00 24.70 H new ATOM 401 N VAL A 26 1.625 0.104 -6.126 1.00 6.52 N ATOM 402 CA VAL A 26 1.163 -0.838 -5.134 1.00 5.53 C ATOM 403 C VAL A 26 -0.393 -0.898 -5.024 1.00 4.42 C ATOM 404 O VAL A 26 -0.964 -1.981 -5.044 1.00 3.40 O ATOM 405 CB VAL A 26 1.833 -0.593 -3.774 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.462 -1.674 -2.781 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.274 -0.402 -3.968 1.00 8.12 C ATOM 0 H VAL A 26 2.202 0.845 -5.727 1.00 6.52 H new ATOM 0 HA VAL A 26 1.470 -1.826 -5.478 1.00 5.53 H new ATOM 0 HB VAL A 26 1.460 0.328 -3.326 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.950 -1.475 -1.827 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.381 -1.683 -2.640 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.787 -2.643 -3.160 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.751 -0.228 -3.004 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.700 -1.293 -4.428 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.443 0.457 -4.617 1.00 8.12 H new ATOM 417 N LYS A 27 -1.036 0.278 -5.045 1.00 2.64 N ATOM 418 CA LYS A 27 -2.520 0.323 -5.123 1.00 4.14 C ATOM 419 C LYS A 27 -3.099 -0.278 -6.331 1.00 5.58 C ATOM 420 O LYS A 27 -4.017 -1.057 -6.235 1.00 4.11 O ATOM 421 CB LYS A 27 -3.111 1.692 -4.829 1.00 3.97 C ATOM 422 CG LYS A 27 -2.612 2.427 -3.562 1.00 7.45 C ATOM 423 CD LYS A 27 -3.331 3.811 -3.326 1.00 9.02 C ATOM 424 CE LYS A 27 -3.284 4.274 -1.827 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.668 5.658 -1.662 1.00 15.47 N ATOM 0 H LYS A 27 -0.578 1.189 -5.011 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.825 -0.331 -4.306 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.918 2.334 -5.689 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.193 1.582 -4.750 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.771 1.789 -2.693 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.538 2.592 -3.644 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.861 4.570 -3.951 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.370 3.734 -3.645 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.947 3.643 -1.235 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.276 4.131 -1.438 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.735 5.881 -0.648 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.954 6.271 -2.105 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.591 5.818 -2.114 1.00 15.47 H new ATOM 439 N ALA A 28 -2.531 -0.047 -7.534 1.00 6.61 N ATOM 440 CA ALA A 28 -2.846 -0.708 -8.791 1.00 7.74 C ATOM 441 C ALA A 28 -2.701 -2.288 -8.721 1.00 9.17 C ATOM 442 O ALA A 28 -3.510 -3.054 -9.200 1.00 11.45 O ATOM 443 CB ALA A 28 -1.919 -0.150 -9.928 1.00 7.68 C ATOM 0 H ALA A 28 -1.796 0.652 -7.646 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.893 -0.493 -9.005 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.157 -0.647 -10.868 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.079 0.923 -10.034 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.876 -0.338 -9.672 1.00 7.68 H new ATOM 449 N LYS A 29 -1.631 -2.675 -8.029 1.00 8.96 N ATOM 450 CA LYS A 29 -1.387 -4.065 -7.778 1.00 7.90 C ATOM 451 C LYS A 29 -2.346 -4.755 -6.821 1.00 6.92 C ATOM 452 O LYS A 29 -2.863 -5.836 -7.084 1.00 6.87 O ATOM 453 CB LYS A 29 0.081 -4.234 -7.263 1.00 10.28 C ATOM 454 CG LYS A 29 0.550 -5.668 -7.206 1.00 14.94 C ATOM 455 CD LYS A 29 2.021 -5.744 -6.742 1.00 19.69 C ATOM 456 CE LYS A 29 3.000 -5.355 -7.808 1.00 22.63 C ATOM 457 NZ LYS A 29 3.038 -6.312 -8.919 1.00 24.98 N ATOM 0 H LYS A 29 -0.933 -2.040 -7.641 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.554 -4.562 -8.733 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.750 -3.669 -7.912 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.159 -3.797 -6.267 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.082 -6.235 -6.523 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.449 -6.128 -8.189 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.156 -5.092 -5.879 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.239 -6.760 -6.412 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.739 -4.369 -8.192 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.995 -5.274 -7.370 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.871 -6.123 -9.512 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.094 -7.280 -8.542 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.176 -6.213 -9.492 1.00 24.98 H new ATOM 471 N ILE A 30 -2.752 -4.082 -5.677 1.00 4.57 N ATOM 472 CA ILE A 30 -3.879 -4.497 -4.825 1.00 5.58 C ATOM 473 C ILE A 30 -5.259 -4.415 -5.481 1.00 7.26 C ATOM 474 O ILE A 30 -6.049 -5.302 -5.274 1.00 9.46 O ATOM 475 CB ILE A 30 -3.871 -3.663 -3.562 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.481 -3.778 -2.784 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.017 -4.055 -2.652 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.269 -2.779 -1.608 1.00 2.00 C ATOM 0 H ILE A 30 -2.287 -3.238 -5.343 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.722 -5.556 -4.619 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.999 -2.623 -3.861 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.389 -4.792 -2.394 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.673 -3.639 -3.502 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.992 -3.443 -1.751 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.963 -3.899 -3.170 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.922 -5.106 -2.379 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.292 -2.951 -1.156 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.320 -1.757 -1.985 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.047 -2.928 -0.859 1.00 2.00 H new ATOM 490 N GLN A 31 -5.561 -3.406 -6.349 1.00 7.06 N ATOM 491 CA GLN A 31 -6.753 -3.429 -7.153 1.00 8.67 C ATOM 492 C GLN A 31 -6.901 -4.687 -8.024 1.00 10.90 C ATOM 493 O GLN A 31 -7.938 -5.283 -8.153 1.00 9.63 O ATOM 494 CB GLN A 31 -6.778 -2.116 -7.982 1.00 9.12 C ATOM 495 CG GLN A 31 -8.132 -1.964 -8.694 1.00 10.76 C ATOM 496 CD GLN A 31 -8.244 -0.669 -9.542 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.294 -0.028 -9.492 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.201 -0.366 -10.314 1.00 14.76 N ATOM 0 H GLN A 31 -4.977 -2.581 -6.487 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.622 -3.481 -6.497 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.605 -1.261 -7.328 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.972 -2.125 -8.716 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.292 -2.827 -9.340 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.928 -1.971 -7.949 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.366 -0.951 -10.296 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.238 0.451 -10.923 1.00 14.76 H new ATOM 507 N ASP A 32 -5.817 -4.996 -8.719 1.00 10.93 N ATOM 508 CA ASP A 32 -5.717 -6.154 -9.610 1.00 14.01 C ATOM 509 C ASP A 32 -5.890 -7.496 -8.816 1.00 14.04 C ATOM 510 O ASP A 32 -6.661 -8.352 -9.184 1.00 13.39 O ATOM 511 CB ASP A 32 -4.300 -6.319 -10.303 1.00 18.01 C ATOM 512 CG ASP A 32 -4.190 -7.204 -11.508 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.159 -7.291 -12.268 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.095 -7.771 -11.749 1.00 26.29 O ATOM 0 H ASP A 32 -4.962 -4.441 -8.682 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.497 -5.970 -10.349 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.954 -5.326 -10.589 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.606 -6.695 -9.552 1.00 18.01 H new ATOM 519 N LYS A 33 -5.245 -7.581 -7.599 1.00 14.22 N ATOM 520 CA LYS A 33 -5.390 -8.816 -6.817 1.00 14.00 C ATOM 521 C LYS A 33 -6.695 -8.908 -6.074 1.00 12.37 C ATOM 522 O LYS A 33 -7.415 -9.891 -6.225 1.00 12.17 O ATOM 523 CB LYS A 33 -4.318 -8.874 -5.680 1.00 18.62 C ATOM 524 CG LYS A 33 -4.225 -10.249 -4.879 1.00 24.00 C ATOM 525 CD LYS A 33 -3.000 -10.392 -3.918 1.00 27.61 C ATOM 526 CE LYS A 33 -1.588 -10.705 -4.530 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.642 -11.820 -5.582 1.00 30.06 N ATOM 0 H LYS A 33 -4.665 -6.853 -7.181 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.301 -9.613 -7.556 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.342 -8.664 -6.117 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.528 -8.075 -4.969 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.137 -10.371 -4.295 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.196 -11.067 -5.599 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.915 -9.465 -3.352 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.232 -11.182 -3.204 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.183 -9.800 -4.983 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.905 -10.995 -3.732 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.680 -12.026 -5.920 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.051 -12.677 -5.158 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.232 -11.514 -6.382 1.00 30.06 H new ATOM 541 N GLU A 34 -7.076 -7.851 -5.375 1.00 10.11 N ATOM 542 CA GLU A 34 -8.174 -7.902 -4.453 1.00 10.07 C ATOM 543 C GLU A 34 -9.462 -7.223 -4.885 1.00 9.32 C ATOM 544 O GLU A 34 -10.435 -7.281 -4.176 1.00 11.61 O ATOM 545 CB GLU A 34 -7.767 -7.265 -3.062 1.00 14.77 C ATOM 546 CG GLU A 34 -6.680 -8.089 -2.303 1.00 18.75 C ATOM 547 CD GLU A 34 -7.303 -9.301 -1.621 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.769 -10.225 -2.339 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.277 -9.340 -0.371 1.00 25.19 O ATOM 0 H GLU A 34 -6.626 -6.938 -5.439 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.384 -8.970 -4.395 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.397 -6.253 -3.227 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.654 -7.181 -2.434 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.909 -8.415 -3.002 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.191 -7.459 -1.560 1.00 18.75 H new ATOM 556 N GLY A 35 -9.541 -6.576 -6.054 1.00 7.22 N ATOM 557 CA GLY A 35 -10.707 -5.861 -6.536 1.00 6.29 C ATOM 558 C GLY A 35 -11.110 -4.568 -5.823 1.00 6.93 C ATOM 559 O GLY A 35 -12.300 -4.298 -5.732 1.00 7.41 O ATOM 0 H GLY A 35 -8.759 -6.541 -6.708 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.541 -5.624 -7.587 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.556 -6.543 -6.494 1.00 6.29 H new ATOM 563 N ILE A 36 -10.096 -3.749 -5.404 1.00 5.86 N ATOM 564 CA ILE A 36 -10.353 -2.592 -4.566 1.00 6.07 C ATOM 565 C ILE A 36 -9.891 -1.417 -5.284 1.00 6.36 C ATOM 566 O ILE A 36 -8.682 -1.280 -5.563 1.00 6.18 O ATOM 567 CB ILE A 36 -9.624 -2.681 -3.182 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.056 -3.976 -2.477 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.130 -1.429 -2.459 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.285 -4.281 -1.206 1.00 9.49 C ATOM 0 H ILE A 36 -9.114 -3.888 -5.643 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.422 -2.542 -4.356 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.536 -2.713 -3.230 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.117 -3.909 -2.237 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.938 -4.810 -3.169 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.685 -1.378 -1.465 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.850 -0.542 -3.028 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.215 -1.475 -2.369 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.652 -5.211 -0.772 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.225 -4.383 -1.439 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.423 -3.468 -0.493 1.00 9.49 H new ATOM 582 N PRO A 37 -10.718 -0.571 -5.832 1.00 8.65 N ATOM 583 CA PRO A 37 -10.360 0.761 -6.270 1.00 9.18 C ATOM 584 C PRO A 37 -9.367 1.558 -5.450 1.00 9.85 C ATOM 585 O PRO A 37 -9.510 1.489 -4.220 1.00 8.51 O ATOM 586 CB PRO A 37 -11.652 1.493 -6.410 1.00 11.42 C ATOM 587 CG PRO A 37 -12.622 0.416 -6.762 1.00 9.27 C ATOM 588 CD PRO A 37 -12.174 -0.736 -5.780 1.00 8.33 C ATOM 0 HA PRO A 37 -9.796 0.642 -7.195 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.930 1.998 -5.485 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.600 2.256 -7.186 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.655 0.722 -6.593 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.544 0.118 -7.808 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.572 -0.603 -4.774 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.493 -1.721 -6.121 1.00 8.33 H new ATOM 596 N PRO A 38 -8.357 2.273 -5.869 1.00 8.71 N ATOM 597 CA PRO A 38 -7.393 3.052 -5.047 1.00 9.08 C ATOM 598 C PRO A 38 -8.012 4.065 -4.147 1.00 9.28 C ATOM 599 O PRO A 38 -7.541 4.376 -3.090 1.00 6.50 O ATOM 600 CB PRO A 38 -6.437 3.650 -6.070 1.00 10.31 C ATOM 601 CG PRO A 38 -6.237 2.451 -7.035 1.00 10.81 C ATOM 602 CD PRO A 38 -7.631 1.826 -7.115 1.00 12.00 C ATOM 0 HA PRO A 38 -6.886 2.413 -4.324 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.864 4.517 -6.574 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.500 3.974 -5.617 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.886 2.777 -8.014 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.501 1.744 -6.651 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.156 2.155 -8.012 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.569 0.739 -7.162 1.00 12.00 H new ATOM 610 N ASP A 39 -9.203 4.609 -4.484 1.00 11.20 N ATOM 611 CA ASP A 39 -9.907 5.635 -3.726 1.00 14.96 C ATOM 612 C ASP A 39 -10.560 5.021 -2.413 1.00 13.99 C ATOM 613 O ASP A 39 -10.845 5.727 -1.400 1.00 13.75 O ATOM 614 CB ASP A 39 -10.967 6.245 -4.580 1.00 24.16 C ATOM 615 CG ASP A 39 -10.252 7.125 -5.615 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.219 7.811 -5.354 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.794 7.215 -6.737 1.00 34.22 O ATOM 0 H ASP A 39 -9.708 4.326 -5.324 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.191 6.400 -3.426 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.559 5.473 -5.072 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.655 6.838 -3.977 1.00 24.16 H new ATOM 622 N GLN A 40 -10.599 3.702 -2.355 1.00 11.60 N ATOM 623 CA GLN A 40 -10.937 2.987 -1.124 1.00 10.76 C ATOM 624 C GLN A 40 -9.724 2.402 -0.336 1.00 8.01 C ATOM 625 O GLN A 40 -9.835 1.629 0.583 1.00 8.96 O ATOM 626 CB GLN A 40 -11.898 1.781 -1.508 1.00 11.14 C ATOM 627 CG GLN A 40 -13.113 2.331 -2.171 1.00 14.85 C ATOM 628 CD GLN A 40 -14.037 1.300 -2.817 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.986 0.132 -2.475 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.945 1.735 -3.711 1.00 18.16 N ATOM 0 H GLN A 40 -10.400 3.094 -3.150 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.397 3.723 -0.465 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.386 1.087 -2.174 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.176 1.220 -0.616 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.685 2.893 -1.433 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.798 3.040 -2.937 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.965 2.719 -3.980 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.612 1.081 -4.120 1.00 18.16 H new ATOM 639 N GLN A 41 -8.485 2.774 -0.755 1.00 6.52 N ATOM 640 CA GLN A 41 -7.287 2.202 -0.192 1.00 3.87 C ATOM 641 C GLN A 41 -6.530 3.325 0.506 1.00 4.79 C ATOM 642 O GLN A 41 -6.344 4.409 0.000 1.00 6.34 O ATOM 643 CB GLN A 41 -6.343 1.574 -1.223 1.00 4.20 C ATOM 644 CG GLN A 41 -6.834 0.328 -1.953 1.00 3.20 C ATOM 645 CD GLN A 41 -5.777 -0.159 -2.946 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.578 -0.242 -2.618 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.175 -0.611 -4.118 1.00 7.13 N ATOM 0 H GLN A 41 -8.316 3.469 -1.482 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.599 1.401 0.478 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.107 2.332 -1.970 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.410 1.323 -0.718 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.056 -0.460 -1.233 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.762 0.549 -2.480 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.157 -0.542 -4.384 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.501 -1.030 -4.759 1.00 7.13 H new ATOM 656 N ARG A 42 -6.170 3.036 1.776 1.00 5.73 N ATOM 657 CA ARG A 42 -5.254 3.913 2.535 1.00 6.97 C ATOM 658 C ARG A 42 -4.172 2.967 3.012 1.00 7.15 C ATOM 659 O ARG A 42 -4.419 1.983 3.651 1.00 7.33 O ATOM 660 CB ARG A 42 -5.837 4.660 3.744 1.00 13.23 C ATOM 661 CG ARG A 42 -6.582 6.010 3.383 1.00 21.27 C ATOM 662 CD ARG A 42 -7.237 6.672 4.584 1.00 26.14 C ATOM 663 NE ARG A 42 -7.689 8.100 4.204 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.261 9.015 5.029 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.657 8.666 6.279 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.493 10.247 4.662 1.00 36.39 N ATOM 0 H ARG A 42 -6.494 2.216 2.289 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.938 4.726 1.881 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.535 4.001 4.260 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.030 4.880 4.443 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.868 6.704 2.938 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.342 5.807 2.628 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.093 6.084 4.914 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.536 6.711 5.418 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.543 8.384 3.235 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.526 7.709 6.607 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.086 9.361 6.891 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.242 10.555 3.723 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.925 10.901 5.315 1.00 36.39 H new ATOM 680 N LEU A 43 -2.904 3.305 2.654 1.00 4.65 N ATOM 681 CA LEU A 43 -1.797 2.511 3.030 1.00 3.51 C ATOM 682 C LEU A 43 -1.039 3.373 4.053 1.00 5.56 C ATOM 683 O LEU A 43 -0.890 4.562 3.849 1.00 4.19 O ATOM 684 CB LEU A 43 -0.916 2.019 1.879 1.00 3.74 C ATOM 685 CG LEU A 43 -1.373 0.810 1.094 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.662 0.714 -0.372 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.207 -0.517 1.866 1.00 6.41 C ATOM 0 H LEU A 43 -2.666 4.131 2.105 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.135 1.563 3.448 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.794 2.844 1.178 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.071 1.798 2.286 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.442 0.960 0.941 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.024 -0.171 -0.895 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.905 1.604 -0.953 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.419 0.645 -0.248 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.553 -1.344 1.246 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.156 -0.665 2.114 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.794 -0.480 2.783 1.00 6.41 H new ATOM 699 N ILE A 44 -0.650 2.770 5.187 1.00 4.58 N ATOM 700 CA ILE A 44 -0.106 3.441 6.343 1.00 5.55 C ATOM 701 C ILE A 44 1.123 2.693 6.754 1.00 5.46 C ATOM 702 O ILE A 44 1.103 1.437 6.828 1.00 6.04 O ATOM 703 CB ILE A 44 -1.141 3.428 7.500 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.547 3.941 7.260 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.567 4.146 8.752 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.586 5.349 6.675 1.00 13.90 C ATOM 0 H ILE A 44 -0.715 1.760 5.313 1.00 4.58 H new ATOM 0 HA ILE A 44 0.131 4.479 6.110 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.285 2.355 7.629 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.064 3.260 6.584 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.095 3.932 8.202 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.306 4.127 9.553 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.338 3.635 9.081 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.330 5.180 8.502 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.622 5.654 6.529 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.098 6.042 7.361 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.066 5.360 5.717 1.00 13.90 H new ATOM 718 N PHE A 45 2.226 3.303 7.072 1.00 6.75 N ATOM 719 CA PHE A 45 3.452 2.639 7.464 1.00 4.70 C ATOM 720 C PHE A 45 4.195 3.716 8.175 1.00 6.34 C ATOM 721 O PHE A 45 4.052 4.874 7.869 1.00 5.45 O ATOM 722 CB PHE A 45 4.264 2.068 6.247 1.00 5.51 C ATOM 723 CG PHE A 45 5.665 1.533 6.690 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.777 0.252 7.290 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.817 2.293 6.547 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.964 -0.179 7.797 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.976 1.901 7.164 1.00 6.64 C ATOM 728 CZ PHE A 45 8.071 0.662 7.769 1.00 6.84 C ATOM 0 H PHE A 45 2.308 4.320 7.068 1.00 6.75 H new ATOM 0 HA PHE A 45 3.269 1.756 8.077 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.699 1.263 5.777 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.392 2.848 5.496 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.909 -0.389 7.345 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.800 3.193 5.950 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.046 -1.170 8.219 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.825 2.568 7.178 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.002 0.348 8.218 1.00 6.84 H new ATOM 738 N ALA A 46 4.993 3.422 9.270 1.00 6.53 N ATOM 739 CA ALA A 46 5.644 4.343 10.186 1.00 7.15 C ATOM 740 C ALA A 46 4.768 5.447 10.528 1.00 9.00 C ATOM 741 O ALA A 46 5.082 6.600 10.555 1.00 11.15 O ATOM 742 CB ALA A 46 7.021 4.835 9.638 1.00 8.99 C ATOM 0 H ALA A 46 5.189 2.453 9.521 1.00 6.53 H new ATOM 0 HA ALA A 46 5.854 3.797 11.106 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.473 5.521 10.354 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.680 3.980 9.489 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.872 5.348 8.688 1.00 8.99 H new ATOM 748 N GLY A 47 3.498 5.202 10.901 1.00 9.35 N ATOM 749 CA GLY A 47 2.530 6.185 11.342 1.00 11.68 C ATOM 750 C GLY A 47 2.106 7.208 10.282 1.00 11.14 C ATOM 751 O GLY A 47 1.491 8.208 10.669 1.00 13.93 O ATOM 0 H GLY A 47 3.113 4.257 10.897 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.641 5.662 11.695 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.944 6.721 12.196 1.00 11.68 H new ATOM 755 N LYS A 48 2.523 7.024 9.062 1.00 10.47 N ATOM 756 CA LYS A 48 2.353 8.017 7.988 1.00 8.82 C ATOM 757 C LYS A 48 1.486 7.421 6.926 1.00 7.68 C ATOM 758 O LYS A 48 1.708 6.306 6.465 1.00 6.47 O ATOM 759 CB LYS A 48 3.706 8.362 7.375 1.00 9.74 C ATOM 760 CG LYS A 48 4.636 9.012 8.361 1.00 14.14 C ATOM 761 CD LYS A 48 6.066 9.267 7.831 1.00 16.32 C ATOM 762 CE LYS A 48 6.868 8.034 7.673 1.00 20.04 C ATOM 763 NZ LYS A 48 8.284 8.462 7.564 1.00 23.92 N ATOM 0 H LYS A 48 3.000 6.175 8.760 1.00 10.47 H new ATOM 0 HA LYS A 48 1.902 8.921 8.397 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.168 7.454 6.989 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.557 9.030 6.526 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.205 9.963 8.674 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.699 8.383 9.249 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.003 9.775 6.869 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.583 9.941 8.514 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.729 7.369 8.525 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.560 7.482 6.785 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.892 7.626 7.451 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.396 9.085 6.739 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.559 8.975 8.426 1.00 23.92 H new ATOM 777 N GLN A 49 0.515 8.281 6.534 1.00 8.89 N ATOM 778 CA GLN A 49 -0.357 8.031 5.365 1.00 7.18 C ATOM 779 C GLN A 49 0.465 8.113 4.137 1.00 8.23 C ATOM 780 O GLN A 49 1.141 9.066 3.887 1.00 9.70 O ATOM 781 CB GLN A 49 -1.620 8.986 5.314 1.00 11.67 C ATOM 782 CG GLN A 49 -2.754 8.553 4.439 1.00 15.82 C ATOM 783 CD GLN A 49 -3.977 9.517 4.566 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.754 9.461 5.491 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.032 10.490 3.628 1.00 20.67 N ATOM 0 H GLN A 49 0.317 9.158 7.015 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.778 7.029 5.452 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.999 9.104 6.329 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.290 9.970 4.981 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.422 8.520 3.401 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.057 7.541 4.709 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.357 10.500 2.864 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.749 11.213 3.685 1.00 20.67 H new ATOM 794 N LEU A 50 0.457 7.081 3.281 1.00 6.51 N ATOM 795 CA LEU A 50 1.371 7.032 2.146 1.00 7.41 C ATOM 796 C LEU A 50 0.683 7.730 0.887 1.00 8.27 C ATOM 797 O LEU A 50 -0.418 7.401 0.499 1.00 8.34 O ATOM 798 CB LEU A 50 1.721 5.549 1.834 1.00 7.13 C ATOM 799 CG LEU A 50 2.312 4.756 3.045 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.688 3.359 2.531 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.542 5.441 3.786 1.00 9.11 C ATOM 0 H LEU A 50 -0.169 6.279 3.357 1.00 6.51 H new ATOM 0 HA LEU A 50 2.292 7.566 2.380 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.821 5.041 1.487 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.438 5.523 1.013 1.00 7.13 H new ATOM 0 HG LEU A 50 1.544 4.723 3.818 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.106 2.771 3.348 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.798 2.862 2.144 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.427 3.451 1.735 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.871 4.806 4.608 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.362 5.576 3.081 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.236 6.411 4.177 1.00 9.11 H new ATOM 813 N GLU A 51 1.355 8.691 0.348 1.00 9.43 N ATOM 814 CA GLU A 51 0.840 9.563 -0.627 1.00 11.90 C ATOM 815 C GLU A 51 1.198 9.002 -1.990 1.00 11.49 C ATOM 816 O GLU A 51 2.298 8.451 -2.260 1.00 9.88 O ATOM 817 CB GLU A 51 1.518 10.912 -0.606 1.00 16.56 C ATOM 818 CG GLU A 51 1.193 11.785 0.640 1.00 26.06 C ATOM 819 CD GLU A 51 2.013 13.050 0.602 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.238 12.958 0.810 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.453 14.136 0.285 1.00 32.13 O ATOM 0 H GLU A 51 2.324 8.891 0.594 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.228 9.661 -0.433 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.596 10.762 -0.656 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.231 11.462 -1.502 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.131 12.029 0.658 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.408 11.228 1.552 1.00 26.06 H new ATOM 828 N ASP A 52 0.209 9.060 -2.931 1.00 12.71 N ATOM 829 CA ASP A 52 0.131 8.247 -4.132 1.00 16.56 C ATOM 830 C ASP A 52 1.331 8.267 -5.106 1.00 15.83 C ATOM 831 O ASP A 52 1.775 7.243 -5.545 1.00 17.21 O ATOM 832 CB ASP A 52 -1.156 8.567 -4.926 1.00 21.05 C ATOM 833 CG ASP A 52 -2.476 8.296 -4.133 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.482 7.638 -3.054 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.532 8.850 -4.550 1.00 28.37 O ATOM 0 H ASP A 52 -0.575 9.707 -2.848 1.00 12.71 H new ATOM 0 HA ASP A 52 0.134 7.237 -3.722 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.134 9.614 -5.227 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.164 7.972 -5.840 1.00 21.05 H new ATOM 840 N GLY A 53 1.909 9.428 -5.387 1.00 15.00 N ATOM 841 CA GLY A 53 3.064 9.622 -6.265 1.00 11.77 C ATOM 842 C GLY A 53 4.412 9.354 -5.709 1.00 11.10 C ATOM 843 O GLY A 53 5.345 9.185 -6.479 1.00 11.25 O ATOM 0 H GLY A 53 1.571 10.305 -4.991 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.930 8.985 -7.139 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.047 10.653 -6.617 1.00 11.77 H new ATOM 847 N ARG A 54 4.470 9.171 -4.407 1.00 8.53 N ATOM 848 CA ARG A 54 5.713 8.851 -3.727 1.00 9.05 C ATOM 849 C ARG A 54 6.182 7.415 -3.889 1.00 8.96 C ATOM 850 O ARG A 54 5.438 6.509 -4.182 1.00 11.60 O ATOM 851 CB ARG A 54 5.665 9.099 -2.160 1.00 7.97 C ATOM 852 CG ARG A 54 4.809 10.405 -1.755 1.00 9.62 C ATOM 853 CD ARG A 54 5.555 11.726 -1.904 1.00 12.20 C ATOM 854 NE ARG A 54 4.737 12.841 -1.356 1.00 18.23 N ATOM 855 CZ ARG A 54 4.907 14.148 -1.607 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.655 14.601 -2.614 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.198 14.962 -0.813 1.00 23.38 N ATOM 0 H ARG A 54 3.661 9.239 -3.789 1.00 8.53 H new ATOM 0 HA ARG A 54 6.405 9.533 -4.221 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.235 8.224 -1.672 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.682 9.207 -1.783 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.910 10.439 -2.371 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.482 10.302 -0.720 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.510 11.674 -1.381 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.777 11.910 -2.955 1.00 12.20 H new ATOM 0 HE ARG A 54 3.973 12.588 -0.729 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.128 13.943 -3.234 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.754 15.605 -2.764 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.593 14.570 -0.091 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.264 15.973 -0.930 1.00 23.38 H new ATOM 871 N THR A 55 7.457 7.119 -3.674 1.00 9.05 N ATOM 872 CA THR A 55 8.015 5.782 -3.833 1.00 9.03 C ATOM 873 C THR A 55 8.108 5.112 -2.510 1.00 8.15 C ATOM 874 O THR A 55 8.093 5.751 -1.444 1.00 5.91 O ATOM 875 CB THR A 55 9.286 5.676 -4.554 1.00 11.15 C ATOM 876 OG1 THR A 55 10.301 6.433 -3.860 1.00 11.95 O ATOM 877 CG2 THR A 55 9.092 6.178 -5.979 1.00 11.71 C ATOM 0 H THR A 55 8.144 7.813 -3.379 1.00 9.05 H new ATOM 0 HA THR A 55 7.308 5.273 -4.488 1.00 9.03 H new ATOM 0 HB THR A 55 9.613 4.637 -4.596 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.089 5.868 -3.716 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.034 6.103 -6.523 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.335 5.573 -6.478 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.768 7.219 -5.957 1.00 11.71 H new ATOM 885 N LEU A 56 8.224 3.767 -2.537 1.00 6.91 N ATOM 886 CA LEU A 56 8.509 2.924 -1.343 1.00 8.29 C ATOM 887 C LEU A 56 9.835 3.280 -0.760 1.00 8.05 C ATOM 888 O LEU A 56 9.925 3.397 0.468 1.00 10.17 O ATOM 889 CB LEU A 56 8.489 1.406 -1.659 1.00 6.60 C ATOM 890 CG LEU A 56 7.053 0.853 -2.151 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.097 -0.601 -2.598 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.021 1.007 -1.062 1.00 8.64 C ATOM 0 H LEU A 56 8.122 3.225 -3.395 1.00 6.91 H new ATOM 0 HA LEU A 56 7.712 3.127 -0.627 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.230 1.197 -2.430 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.792 0.856 -0.768 1.00 6.60 H new ATOM 0 HG LEU A 56 6.777 1.456 -3.016 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.103 -0.914 -2.917 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.794 -0.705 -3.429 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.426 -1.227 -1.768 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.061 0.629 -1.414 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.333 0.443 -0.183 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.922 2.061 -0.801 1.00 8.64 H new ATOM 904 N SER A 57 10.849 3.568 -1.620 1.00 8.92 N ATOM 905 CA SER A 57 12.148 4.069 -1.153 1.00 9.00 C ATOM 906 C SER A 57 12.103 5.373 -0.344 1.00 9.44 C ATOM 907 O SER A 57 12.769 5.399 0.687 1.00 10.91 O ATOM 908 CB SER A 57 13.244 4.091 -2.266 1.00 10.32 C ATOM 909 OG SER A 57 12.816 4.987 -3.284 1.00 13.59 O ATOM 0 H SER A 57 10.782 3.459 -2.632 1.00 8.92 H new ATOM 0 HA SER A 57 12.454 3.316 -0.427 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.200 4.412 -1.853 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.392 3.092 -2.675 1.00 10.32 H new ATOM 0 HG SER A 57 13.489 5.020 -3.995 1.00 13.59 H new ATOM 915 N ASP A 58 11.305 6.408 -0.792 1.00 9.11 N ATOM 916 CA ASP A 58 11.134 7.642 -0.090 1.00 7.91 C ATOM 917 C ASP A 58 10.689 7.438 1.383 1.00 9.12 C ATOM 918 O ASP A 58 11.074 8.223 2.239 1.00 8.61 O ATOM 919 CB ASP A 58 10.099 8.654 -0.772 1.00 8.41 C ATOM 920 CG ASP A 58 10.647 9.211 -2.019 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.835 9.582 -2.079 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.871 9.398 -3.010 1.00 10.05 O ATOM 0 H ASP A 58 10.778 6.362 -1.664 1.00 9.11 H new ATOM 0 HA ASP A 58 12.129 8.085 -0.129 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.163 8.136 -0.982 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.867 9.463 -0.080 1.00 8.41 H new ATOM 927 N TYR A 59 9.871 6.365 1.627 1.00 7.97 N ATOM 928 CA TYR A 59 9.333 6.111 2.904 1.00 8.45 C ATOM 929 C TYR A 59 10.229 5.084 3.722 1.00 10.98 C ATOM 930 O TYR A 59 9.877 4.681 4.840 1.00 12.95 O ATOM 931 CB TYR A 59 7.909 5.469 2.736 1.00 7.94 C ATOM 932 CG TYR A 59 6.835 6.584 2.585 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.723 7.638 3.522 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.022 6.584 1.433 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.666 8.565 3.438 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.000 7.569 1.333 1.00 6.52 C ATOM 937 CZ TYR A 59 4.803 8.555 2.321 1.00 6.76 C ATOM 938 OH TYR A 59 3.806 9.468 2.185 1.00 7.63 O ATOM 0 H TYR A 59 9.598 5.687 0.916 1.00 7.97 H new ATOM 0 HA TYR A 59 9.291 7.057 3.444 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.895 4.819 1.861 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.678 4.845 3.600 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.456 7.733 4.310 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.171 5.857 0.649 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.516 9.284 4.229 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.352 7.561 0.469 1.00 6.52 H new ATOM 0 HH TYR A 59 3.943 9.982 1.362 1.00 7.63 H new ATOM 948 N ASN A 60 11.382 4.690 3.190 1.00 12.38 N ATOM 949 CA ASN A 60 12.277 3.767 3.825 1.00 13.94 C ATOM 950 C ASN A 60 11.648 2.424 4.044 1.00 14.16 C ATOM 951 O ASN A 60 11.793 1.828 5.118 1.00 14.26 O ATOM 952 CB ASN A 60 13.052 4.370 5.059 1.00 19.23 C ATOM 953 CG ASN A 60 14.213 3.516 5.508 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.361 3.092 6.660 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.243 3.323 4.667 1.00 24.09 N ATOM 0 H ASN A 60 11.715 5.019 2.284 1.00 12.38 H new ATOM 0 HA ASN A 60 13.083 3.577 3.116 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.419 5.363 4.799 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.358 4.494 5.890 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.086 2.849 4.993 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.182 3.650 3.703 1.00 24.09 H new ATOM 962 N ILE A 61 10.813 1.944 3.060 1.00 11.08 N ATOM 963 CA ILE A 61 10.205 0.629 3.123 1.00 11.78 C ATOM 964 C ILE A 61 11.213 -0.392 2.610 1.00 13.74 C ATOM 965 O ILE A 61 11.769 -0.162 1.517 1.00 14.60 O ATOM 966 CB ILE A 61 8.861 0.485 2.382 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.803 1.270 3.176 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.435 -1.044 2.139 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.560 1.725 2.368 1.00 11.42 C ATOM 0 H ILE A 61 10.565 2.475 2.225 1.00 11.08 H new ATOM 0 HA ILE A 61 9.951 0.455 4.169 1.00 11.78 H new ATOM 0 HB ILE A 61 8.957 0.899 1.378 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.467 0.652 4.008 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.278 2.152 3.606 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.481 -1.077 1.613 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.197 -1.543 1.540 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.338 -1.552 3.099 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.879 2.269 3.023 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.875 2.375 1.552 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.051 0.851 1.961 1.00 11.42 H new ATOM 981 N GLN A 62 11.439 -1.454 3.318 1.00 13.97 N ATOM 982 CA GLN A 62 12.410 -2.453 2.917 1.00 15.52 C ATOM 983 C GLN A 62 11.646 -3.758 2.658 1.00 13.94 C ATOM 984 O GLN A 62 10.437 -3.873 2.838 1.00 12.15 O ATOM 985 CB GLN A 62 13.520 -2.621 3.991 1.00 19.53 C ATOM 986 CG GLN A 62 14.626 -1.543 3.921 1.00 26.38 C ATOM 987 CD GLN A 62 15.693 -1.669 5.053 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.844 -2.120 4.847 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.337 -1.075 6.197 1.00 32.71 N ATOM 0 H GLN A 62 10.960 -1.664 4.194 1.00 13.97 H new ATOM 0 HA GLN A 62 12.926 -2.146 2.007 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.062 -2.595 4.980 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.977 -3.604 3.877 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.125 -1.608 2.954 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.165 -0.557 3.976 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.387 -0.724 6.315 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.016 -0.973 6.951 1.00 32.71 H new ATOM 998 N LYS A 63 12.322 -4.798 2.248 1.00 11.73 N ATOM 999 CA LYS A 63 11.831 -6.154 2.079 1.00 11.97 C ATOM 1000 C LYS A 63 11.246 -6.846 3.271 1.00 10.41 C ATOM 1001 O LYS A 63 11.637 -6.628 4.383 1.00 9.59 O ATOM 1002 CB LYS A 63 12.987 -7.020 1.467 1.00 13.73 C ATOM 1003 CG LYS A 63 14.324 -7.117 2.260 1.00 16.98 C ATOM 1004 CD LYS A 63 15.593 -7.745 1.527 1.00 20.19 C ATOM 1005 CE LYS A 63 15.599 -9.253 1.303 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.781 -9.901 2.554 1.00 25.97 N ATOM 0 H LYS A 63 13.309 -4.720 2.002 1.00 11.73 H new ATOM 0 HA LYS A 63 10.968 -6.053 1.421 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.608 -8.032 1.326 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.213 -6.624 0.477 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.592 -6.112 2.585 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.135 -7.703 3.159 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.695 -7.260 0.556 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.479 -7.487 2.107 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.662 -9.570 0.846 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.398 -9.529 0.615 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.308 -10.787 2.413 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.316 -9.278 3.193 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.853 -10.113 2.973 1.00 25.97 H new ATOM 1020 N GLU A 64 10.274 -7.700 3.046 1.00 10.04 N ATOM 1021 CA GLU A 64 9.582 -8.569 4.021 1.00 10.94 C ATOM 1022 C GLU A 64 8.937 -7.790 5.175 1.00 9.74 C ATOM 1023 O GLU A 64 8.537 -8.323 6.237 1.00 9.42 O ATOM 1024 CB GLU A 64 10.628 -9.691 4.521 1.00 18.31 C ATOM 1025 CG GLU A 64 11.300 -10.482 3.398 1.00 24.16 C ATOM 1026 CD GLU A 64 12.478 -11.373 3.842 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.196 -12.482 4.305 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.679 -11.075 3.556 1.00 31.72 O ATOM 0 H GLU A 64 9.903 -7.829 2.105 1.00 10.04 H new ATOM 0 HA GLU A 64 8.737 -9.055 3.533 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.400 -9.208 5.119 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.107 -10.388 5.177 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.550 -11.110 2.918 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.658 -9.781 2.644 1.00 24.16 H new ATOM 1035 N SER A 65 8.769 -6.479 4.932 1.00 6.85 N ATOM 1036 CA SER A 65 8.094 -5.534 5.825 1.00 6.90 C ATOM 1037 C SER A 65 6.602 -5.381 5.659 1.00 4.72 C ATOM 1038 O SER A 65 5.965 -5.516 4.606 1.00 3.91 O ATOM 1039 CB SER A 65 8.762 -4.200 5.555 1.00 7.28 C ATOM 1040 OG SER A 65 8.490 -3.194 6.536 1.00 10.56 O ATOM 0 H SER A 65 9.112 -6.038 4.079 1.00 6.85 H new ATOM 0 HA SER A 65 8.193 -5.915 6.842 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.840 -4.352 5.497 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.439 -3.836 4.580 1.00 7.28 H new ATOM 0 HG SER A 65 8.955 -2.366 6.294 1.00 10.56 H new ATOM 1046 N THR A 66 5.921 -5.135 6.811 1.00 4.48 N ATOM 1047 CA THR A 66 4.467 -5.003 6.921 1.00 3.80 C ATOM 1048 C THR A 66 3.869 -3.605 6.819 1.00 4.60 C ATOM 1049 O THR A 66 4.132 -2.754 7.645 1.00 5.33 O ATOM 1050 CB THR A 66 3.872 -5.678 8.113 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.374 -6.995 8.257 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.353 -5.748 7.946 1.00 3.40 C ATOM 0 H THR A 66 6.395 -5.022 7.707 1.00 4.48 H new ATOM 0 HA THR A 66 4.185 -5.526 6.007 1.00 3.80 H new ATOM 0 HB THR A 66 4.136 -5.102 9.000 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.970 -7.415 9.045 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.914 -6.240 8.814 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.950 -4.739 7.858 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.112 -6.315 7.047 1.00 3.40 H new ATOM 1060 N LEU A 67 3.057 -3.419 5.737 1.00 4.17 N ATOM 1061 CA LEU A 67 2.370 -2.161 5.540 1.00 3.85 C ATOM 1062 C LEU A 67 0.899 -2.377 5.878 1.00 3.80 C ATOM 1063 O LEU A 67 0.347 -3.448 5.723 1.00 5.54 O ATOM 1064 CB LEU A 67 2.436 -1.776 4.060 1.00 7.18 C ATOM 1065 CG LEU A 67 3.792 -1.758 3.426 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.704 -0.947 2.081 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.910 -1.104 4.193 1.00 11.66 C ATOM 0 H LEU A 67 2.882 -4.122 5.019 1.00 4.17 H new ATOM 0 HA LEU A 67 2.825 -1.388 6.160 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.809 -2.470 3.500 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.995 -0.786 3.947 1.00 7.18 H new ATOM 0 HG LEU A 67 4.039 -2.816 3.338 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.684 -0.924 1.605 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.988 -1.426 1.413 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.379 0.072 2.291 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.832 -1.165 3.615 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.664 -0.058 4.374 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.045 -1.615 5.146 1.00 11.66 H new ATOM 1079 N HIS A 68 0.226 -1.348 6.397 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.096 -1.569 6.916 1.00 4.17 C ATOM 1081 C HIS A 68 -2.054 -0.975 5.912 1.00 5.32 C ATOM 1082 O HIS A 68 -1.955 0.166 5.497 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.176 -0.868 8.292 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.101 -1.193 9.288 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.191 -0.596 9.232 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.033 -2.169 10.240 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.993 -1.303 10.103 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.248 -2.239 10.760 1.00 16.30 N ATOM 0 H HIS A 68 0.572 -0.391 6.462 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.341 -2.621 7.059 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.167 0.209 8.124 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.139 -1.113 8.741 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.469 0.200 8.659 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.859 -2.796 10.543 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.051 -1.140 10.244 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.118 -1.711 5.556 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.049 -1.297 4.530 1.00 3.97 C ATOM 1098 C LEU A 69 -5.377 -1.067 5.267 1.00 5.07 C ATOM 1099 O LEU A 69 -5.962 -1.958 5.840 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.152 -2.408 3.494 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.237 -2.243 2.372 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.013 -0.930 1.622 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.216 -3.367 1.353 1.00 9.96 C ATOM 0 H LEU A 69 -3.345 -2.610 5.981 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.748 -0.394 3.999 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.180 -2.511 3.012 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.348 -3.343 4.019 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.202 -2.258 2.879 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.769 -0.821 0.845 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.087 -0.095 2.319 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.023 -0.936 1.167 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.989 -3.194 0.605 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.241 -3.399 0.867 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.402 -4.317 1.855 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.854 0.175 5.248 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.149 0.617 5.790 1.00 6.26 C ATOM 1117 C VAL A 70 -8.048 0.748 4.518 1.00 9.22 C ATOM 1118 O VAL A 70 -7.567 1.170 3.474 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.084 2.018 6.455 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.434 2.438 6.979 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.070 2.141 7.642 1.00 8.54 C ATOM 0 H VAL A 70 -5.326 0.944 4.835 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.500 -0.078 6.553 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.739 2.667 5.650 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.355 3.423 7.439 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.148 2.478 6.156 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.776 1.717 7.722 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.097 3.155 8.040 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.342 1.435 8.427 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.064 1.918 7.286 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.272 0.247 4.632 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.086 0.172 3.448 1.00 16.06 C ATOM 1133 C LEU A 71 -11.397 0.873 3.712 1.00 18.09 C ATOM 1134 O LEU A 71 -11.859 0.990 4.832 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.426 -1.292 2.974 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.206 -2.166 2.564 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.676 -3.542 2.173 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.391 -1.617 1.362 1.00 19.57 C ATOM 0 H LEU A 71 -9.699 -0.096 5.493 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.499 0.640 2.658 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.961 -1.800 3.777 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.108 -1.231 2.126 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.557 -2.168 3.439 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.819 -4.151 1.886 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.185 -4.006 3.018 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.365 -3.466 1.332 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.561 -2.290 1.147 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.037 -1.546 0.487 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.002 -0.629 1.607 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.917 1.437 2.618 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.147 2.185 2.724 1.00 25.83 C ATOM 1152 C ARG A 72 -14.216 1.565 1.799 1.00 27.74 C ATOM 1153 O ARG A 72 -14.868 2.351 1.130 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.888 3.700 2.422 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.541 4.310 2.963 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.295 5.821 2.895 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.190 6.414 3.946 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.098 7.675 4.333 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.399 8.575 3.644 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.667 8.063 5.469 1.00 35.02 N ATOM 0 H ARG A 72 -11.513 1.387 1.683 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.530 2.129 3.743 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.915 3.841 1.341 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.714 4.276 2.839 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.450 4.015 4.008 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.727 3.826 2.423 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.249 6.059 3.089 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.534 6.215 1.907 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.897 5.820 4.379 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.914 8.299 2.790 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.348 9.540 3.970 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.174 7.388 6.042 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.597 9.035 5.768 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.339 0.210 1.752 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.226 -0.530 0.897 1.00 30.76 C ATOM 1176 C LEU A 73 -16.702 -0.206 1.020 1.00 32.18 C ATOM 1177 O LEU A 73 -17.234 -0.085 2.146 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.081 -2.024 1.159 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.596 -2.518 1.013 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.376 -3.831 1.725 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -12.982 -2.477 -0.373 1.00 29.11 C ATOM 0 H LEU A 73 -13.781 -0.399 2.351 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.917 -0.232 -0.105 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.439 -2.250 2.163 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.714 -2.575 0.463 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.020 -1.746 1.524 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -12.338 -4.142 1.603 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -13.596 -3.711 2.786 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.034 -4.589 1.301 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -11.957 -2.845 -0.328 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -13.564 -3.105 -1.047 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.983 -1.451 -0.741 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.409 -0.271 -0.152 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.827 0.039 -0.153 1.00 35.33 C ATOM 1195 C ARG A 74 -19.671 -1.095 0.476 1.00 36.22 C ATOM 1196 O ARG A 74 -20.587 -0.819 1.207 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.300 0.221 -1.662 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.452 1.013 -2.646 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.950 2.354 -2.177 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.084 3.225 -1.735 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.784 4.021 -2.520 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.788 3.929 -3.829 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -20.563 4.969 -2.004 1.00 41.93 N ATOM 0 H ARG A 74 -17.017 -0.527 -1.058 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.973 0.945 0.436 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.431 -0.777 -2.081 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.284 0.688 -1.637 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.591 0.404 -2.921 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.037 1.166 -3.553 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.250 2.217 -1.353 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.403 2.844 -2.982 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.336 3.201 -0.747 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -19.229 3.212 -4.292 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -20.350 4.574 -4.384 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -20.623 5.085 -0.992 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -21.100 5.579 -2.620 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.307 -2.376 0.253 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.938 -3.527 0.786 1.00 36.07 C ATOM 1219 C GLY A 75 -19.113 -3.939 1.980 1.00 36.16 C ATOM 1220 O GLY A 75 -19.222 -3.390 3.098 1.00 36.26 O ATOM 0 H GLY A 75 -18.514 -2.611 -0.344 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.965 -3.309 1.078 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.980 -4.327 0.046 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.206 -4.901 1.858 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.203 -5.203 2.874 1.00 36.19 C ATOM 1226 C GLY A 76 -16.325 -6.360 2.422 1.00 36.20 C ATOM 1227 O GLY A 76 -15.440 -6.840 3.179 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.461 -6.792 1.259 1.00 0.00 O ATOM 0 H GLY A 76 -18.145 -5.503 1.037 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.588 -4.323 3.061 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.693 -5.455 3.815 1.00 36.19 H new TER 1232 GLY A 76