USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 -32:sc= 1.98 USER MOD Set 1.2: A 57 SER OG : rot -57:sc= 0.947 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.01 (180deg=-0.439) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.42 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.29 (180deg=0.226!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.895 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= -0.593 K(o=-0.59,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.32 (180deg=0.667) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.869 K(o=-0.87,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00769 (180deg=-0.205) USER MOD Single : A 40 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.9!) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.00295 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= 0.483 (180deg=0.0169) 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 HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.839 -7.955 -5.088 1.00 9.67 N ATOM 2 CA MET A 1 10.931 -8.521 -3.717 1.00 10.38 C ATOM 3 C MET A 1 9.562 -8.595 -3.056 1.00 9.62 C ATOM 4 O MET A 1 8.631 -7.993 -3.527 1.00 9.62 O ATOM 5 CB MET A 1 12.169 -7.871 -3.030 1.00 13.77 C ATOM 6 CG MET A 1 11.940 -6.349 -2.737 1.00 16.29 C ATOM 7 SD MET A 1 10.953 -5.995 -1.214 1.00 17.17 S ATOM 8 CE MET A 1 10.940 -4.191 -1.414 1.00 16.11 C ATOM 0 H1 MET A 1 11.796 -7.823 -5.474 1.00 9.67 H new ATOM 0 H2 MET A 1 10.307 -8.608 -5.698 1.00 9.67 H new ATOM 0 H3 MET A 1 10.350 -7.038 -5.053 1.00 9.67 H new ATOM 0 HA MET A 1 11.167 -9.583 -3.650 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.382 -8.393 -2.097 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.044 -7.990 -3.669 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.910 -5.860 -2.646 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.436 -5.900 -3.593 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.134 -3.764 -0.816 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.894 -3.781 -1.082 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.784 -3.942 -2.464 1.00 16.11 H new ATOM 20 N GLN A 2 9.389 -9.298 -1.974 1.00 9.27 N ATOM 21 CA GLN A 2 8.167 -9.317 -1.206 1.00 9.07 C ATOM 22 C GLN A 2 8.061 -8.185 -0.186 1.00 8.72 C ATOM 23 O GLN A 2 8.983 -7.875 0.604 1.00 8.22 O ATOM 24 CB GLN A 2 8.243 -10.655 -0.397 1.00 14.46 C ATOM 25 CG GLN A 2 8.248 -11.893 -1.330 1.00 17.01 C ATOM 26 CD GLN A 2 8.611 -13.217 -0.696 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.929 -13.299 0.502 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.670 -14.263 -1.516 1.00 19.49 N ATOM 0 H GLN A 2 10.118 -9.896 -1.585 1.00 9.27 H new ATOM 0 HA GLN A 2 7.316 -9.213 -1.879 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.144 -10.658 0.216 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.394 -10.717 0.284 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.257 -11.988 -1.775 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.946 -11.703 -2.145 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.401 -14.160 -2.494 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.984 -15.168 -1.166 1.00 19.49 H new ATOM 37 N ILE A 3 6.853 -7.604 -0.097 1.00 5.87 N ATOM 38 CA ILE A 3 6.491 -6.763 1.034 1.00 5.07 C ATOM 39 C ILE A 3 5.048 -7.326 1.490 1.00 4.01 C ATOM 40 O ILE A 3 4.279 -7.852 0.677 1.00 4.61 O ATOM 41 CB ILE A 3 6.407 -5.252 0.847 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.358 -4.746 -0.141 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.860 -4.746 0.570 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.184 -3.232 -0.169 1.00 10.83 C ATOM 0 H ILE A 3 6.119 -7.707 -0.798 1.00 5.87 H new ATOM 0 HA ILE A 3 7.306 -6.838 1.753 1.00 5.07 H new ATOM 0 HB ILE A 3 6.017 -4.812 1.765 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.628 -5.085 -1.141 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.399 -5.203 0.103 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.848 -3.665 0.429 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.500 -4.995 1.417 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.247 -5.225 -0.330 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.419 -2.967 -0.899 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.880 -2.882 0.818 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.128 -2.762 -0.446 1.00 10.83 H new ATOM 56 N PHE A 4 4.697 -7.234 2.791 1.00 4.55 N ATOM 57 CA PHE A 4 3.481 -7.866 3.298 1.00 4.68 C ATOM 58 C PHE A 4 2.460 -6.876 3.699 1.00 5.30 C ATOM 59 O PHE A 4 2.654 -5.941 4.504 1.00 5.58 O ATOM 60 CB PHE A 4 3.756 -8.730 4.507 1.00 4.83 C ATOM 61 CG PHE A 4 4.871 -9.694 4.285 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.847 -10.616 3.198 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.754 -9.935 5.284 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.770 -11.614 3.050 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.668 -11.027 5.226 1.00 10.61 C ATOM 66 CZ PHE A 4 6.705 -11.861 4.110 1.00 8.90 C ATOM 0 H PHE A 4 5.238 -6.732 3.495 1.00 4.55 H new ATOM 0 HA PHE A 4 3.112 -8.472 2.471 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.997 -8.092 5.357 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.852 -9.280 4.768 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.065 -10.522 2.459 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.766 -9.284 6.145 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.795 -12.208 2.148 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.337 -11.210 6.054 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.417 -12.670 4.045 1.00 8.90 H new ATOM 76 N VAL A 5 1.283 -7.022 3.105 1.00 4.44 N ATOM 77 CA VAL A 5 0.199 -6.069 3.129 1.00 3.87 C ATOM 78 C VAL A 5 -0.964 -6.567 3.945 1.00 4.93 C ATOM 79 O VAL A 5 -1.686 -7.463 3.520 1.00 6.84 O ATOM 80 CB VAL A 5 -0.193 -5.725 1.732 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.568 -4.988 1.660 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.867 -4.787 1.265 1.00 9.13 C ATOM 0 H VAL A 5 1.054 -7.857 2.566 1.00 4.44 H new ATOM 0 HA VAL A 5 0.540 -5.158 3.622 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.290 -6.630 1.132 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.805 -4.761 0.621 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.346 -5.627 2.078 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.514 -4.061 2.231 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.657 -4.481 0.240 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.885 -3.908 1.909 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.836 -5.285 1.303 1.00 9.13 H new ATOM 92 N LYS A 6 -1.050 -6.035 5.173 1.00 6.04 N ATOM 93 CA LYS A 6 -2.080 -6.375 6.160 1.00 6.12 C ATOM 94 C LYS A 6 -3.335 -5.498 6.163 1.00 6.57 C ATOM 95 O LYS A 6 -3.275 -4.343 5.735 1.00 5.76 O ATOM 96 CB LYS A 6 -1.575 -6.404 7.633 1.00 7.45 C ATOM 97 CG LYS A 6 -0.520 -7.475 7.853 1.00 11.12 C ATOM 98 CD LYS A 6 0.033 -7.537 9.311 1.00 14.54 C ATOM 99 CE LYS A 6 -0.930 -8.037 10.336 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.214 -8.177 11.553 1.00 20.55 N ATOM 0 H LYS A 6 -0.387 -5.339 5.514 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.343 -7.374 5.811 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.162 -5.430 7.894 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.417 -6.582 8.301 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.944 -8.446 7.595 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.310 -7.298 7.169 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.915 -8.178 9.321 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.361 -6.539 9.601 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.760 -7.341 10.456 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.357 -8.992 10.029 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.855 -8.525 12.295 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.564 -8.854 11.422 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.174 -7.254 11.836 1.00 20.55 H new ATOM 114 N THR A 7 -4.471 -6.023 6.655 1.00 7.41 N ATOM 115 CA THR A 7 -5.718 -5.240 6.755 1.00 7.48 C ATOM 116 C THR A 7 -6.442 -5.601 8.003 1.00 8.75 C ATOM 117 O THR A 7 -6.338 -6.747 8.512 1.00 8.58 O ATOM 118 CB THR A 7 -6.622 -5.308 5.504 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.484 -4.153 5.560 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.389 -6.596 5.457 1.00 9.17 C ATOM 0 H THR A 7 -4.553 -6.983 6.989 1.00 7.41 H new ATOM 0 HA THR A 7 -5.427 -4.191 6.804 1.00 7.48 H new ATOM 0 HB THR A 7 -6.034 -5.292 4.586 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.939 -3.340 5.601 1.00 11.78 H new ATOM 0 HG21 THR A 7 -8.016 -6.614 4.565 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.692 -7.434 5.427 1.00 9.17 H new ATOM 0 HG23 THR A 7 -8.017 -6.678 6.344 1.00 9.17 H new ATOM 128 N LEU A 8 -7.287 -4.613 8.497 1.00 9.84 N ATOM 129 CA LEU A 8 -7.828 -4.697 9.816 1.00 14.15 C ATOM 130 C LEU A 8 -8.509 -6.029 10.190 1.00 17.37 C ATOM 131 O LEU A 8 -8.255 -6.583 11.240 1.00 17.01 O ATOM 132 CB LEU A 8 -8.923 -3.585 9.982 1.00 16.63 C ATOM 133 CG LEU A 8 -8.478 -2.152 9.640 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.627 -1.254 10.122 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.259 -1.878 10.538 1.00 18.59 C ATOM 0 H LEU A 8 -7.572 -3.786 7.972 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.963 -4.587 10.470 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.774 -3.842 9.351 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.276 -3.600 11.013 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.247 -1.994 8.586 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.386 -0.212 9.914 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.545 -1.526 9.600 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.767 -1.387 11.195 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.886 -0.871 10.349 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.551 -1.966 11.584 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.475 -2.602 10.318 1.00 18.59 H new ATOM 147 N THR A 9 -9.247 -6.614 9.251 1.00 18.33 N ATOM 148 CA THR A 9 -10.046 -7.825 9.391 1.00 19.24 C ATOM 149 C THR A 9 -9.314 -9.141 9.376 1.00 19.48 C ATOM 150 O THR A 9 -9.771 -10.166 9.925 1.00 23.14 O ATOM 151 CB THR A 9 -11.316 -7.814 8.466 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.941 -7.546 7.126 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.291 -6.733 8.850 1.00 19.70 C ATOM 0 H THR A 9 -9.306 -6.227 8.309 1.00 18.33 H new ATOM 0 HA THR A 9 -10.383 -7.771 10.426 1.00 19.24 H new ATOM 0 HB THR A 9 -11.779 -8.794 8.577 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.739 -7.543 6.557 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.152 -6.765 8.182 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.622 -6.890 9.877 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.806 -5.760 8.770 1.00 19.70 H new ATOM 161 N GLY A 10 -8.032 -9.286 8.989 1.00 19.43 N ATOM 162 CA GLY A 10 -7.331 -10.602 9.079 1.00 18.74 C ATOM 163 C GLY A 10 -6.402 -10.838 7.990 1.00 17.62 C ATOM 164 O GLY A 10 -5.317 -11.352 8.237 1.00 19.74 O ATOM 0 H GLY A 10 -7.460 -8.528 8.616 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.791 -10.653 10.024 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.073 -11.400 9.092 1.00 18.74 H new ATOM 168 N LYS A 11 -6.863 -10.560 6.738 1.00 13.56 N ATOM 169 CA LYS A 11 -6.165 -11.021 5.605 1.00 11.91 C ATOM 170 C LYS A 11 -4.812 -10.296 5.239 1.00 10.18 C ATOM 171 O LYS A 11 -4.819 -9.112 4.923 1.00 9.10 O ATOM 172 CB LYS A 11 -7.117 -11.075 4.385 1.00 13.43 C ATOM 173 CG LYS A 11 -6.451 -11.697 3.161 1.00 16.69 C ATOM 174 CD LYS A 11 -7.523 -11.715 2.025 1.00 17.92 C ATOM 175 CE LYS A 11 -7.082 -12.674 0.897 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.959 -12.623 -0.296 1.00 21.93 N ATOM 0 H LYS A 11 -7.707 -10.023 6.537 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.829 -12.018 5.891 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.005 -11.651 4.645 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.451 -10.066 4.142 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.578 -11.118 2.860 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.104 -12.706 3.381 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.485 -12.032 2.427 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.659 -10.710 1.626 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.062 -12.429 0.600 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.065 -13.693 1.283 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.410 -12.877 -1.142 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.745 -13.294 -0.178 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.339 -11.661 -0.407 1.00 21.93 H new ATOM 190 N THR A 12 -3.732 -11.029 5.373 1.00 9.63 N ATOM 191 CA THR A 12 -2.427 -10.552 4.988 1.00 9.85 C ATOM 192 C THR A 12 -2.200 -11.081 3.654 1.00 11.66 C ATOM 193 O THR A 12 -2.487 -12.239 3.404 1.00 12.33 O ATOM 194 CB THR A 12 -1.278 -11.033 5.787 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.569 -10.758 7.205 1.00 10.91 O ATOM 196 CG2 THR A 12 0.054 -10.367 5.430 1.00 9.63 C ATOM 0 H THR A 12 -3.735 -11.975 5.753 1.00 9.63 H new ATOM 0 HA THR A 12 -2.456 -9.469 5.106 1.00 9.85 H new ATOM 0 HB THR A 12 -1.161 -12.096 5.574 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.823 -11.069 7.758 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.845 -10.774 6.060 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.288 -10.560 4.383 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.022 -9.292 5.592 1.00 9.63 H new ATOM 204 N ILE A 13 -1.792 -10.275 2.686 1.00 10.42 N ATOM 205 CA ILE A 13 -1.439 -10.689 1.329 1.00 11.84 C ATOM 206 C ILE A 13 0.018 -10.288 1.083 1.00 10.55 C ATOM 207 O ILE A 13 0.475 -9.296 1.611 1.00 11.92 O ATOM 208 CB ILE A 13 -2.374 -10.052 0.279 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.198 -8.462 0.098 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.854 -10.454 0.553 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.108 -7.780 -0.919 1.00 16.46 C ATOM 0 H ILE A 13 -1.692 -9.270 2.827 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.557 -11.768 1.231 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.070 -10.462 -0.684 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.358 -7.990 1.067 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.164 -8.265 -0.185 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.500 -9.996 -0.196 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.952 -11.538 0.503 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.147 -10.109 1.544 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.889 -6.712 -0.945 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.937 -8.209 -1.906 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.149 -7.930 -0.634 1.00 16.46 H new ATOM 223 N THR A 14 0.803 -11.092 0.334 1.00 9.39 N ATOM 224 CA THR A 14 2.184 -10.866 -0.093 1.00 9.63 C ATOM 225 C THR A 14 2.182 -10.276 -1.483 1.00 11.20 C ATOM 226 O THR A 14 1.624 -10.852 -2.424 1.00 11.63 O ATOM 227 CB THR A 14 3.086 -12.084 -0.137 1.00 10.38 C ATOM 228 OG1 THR A 14 3.250 -12.525 1.191 1.00 16.30 O ATOM 229 CG2 THR A 14 4.547 -11.728 -0.573 1.00 11.66 C ATOM 0 H THR A 14 0.451 -11.985 -0.011 1.00 9.39 H new ATOM 0 HA THR A 14 2.592 -10.206 0.673 1.00 9.63 H new ATOM 0 HB THR A 14 2.634 -12.797 -0.826 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.982 -12.029 1.612 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.153 -12.634 -0.589 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.532 -11.284 -1.568 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.975 -11.018 0.134 1.00 11.66 H new ATOM 237 N LEU A 15 2.787 -9.048 -1.639 1.00 8.29 N ATOM 238 CA LEU A 15 2.995 -8.375 -2.928 1.00 9.03 C ATOM 239 C LEU A 15 4.358 -8.691 -3.490 1.00 8.59 C ATOM 240 O LEU A 15 5.235 -9.290 -2.869 1.00 7.79 O ATOM 241 CB LEU A 15 2.846 -6.870 -2.859 1.00 11.08 C ATOM 242 CG LEU A 15 1.496 -6.265 -2.311 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.598 -4.730 -2.492 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.304 -6.805 -3.159 1.00 15.27 C ATOM 0 H LEU A 15 3.141 -8.510 -0.848 1.00 8.29 H new ATOM 0 HA LEU A 15 2.210 -8.761 -3.579 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.656 -6.486 -2.238 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.000 -6.477 -3.864 1.00 11.08 H new ATOM 0 HG LEU A 15 1.333 -6.535 -1.268 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.685 -4.259 -2.127 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.451 -4.353 -1.928 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.729 -4.496 -3.548 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.630 -6.388 -2.781 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.437 -6.513 -4.201 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.270 -7.892 -3.088 1.00 15.27 H new ATOM 256 N GLU A 16 4.502 -8.354 -4.743 1.00 11.04 N ATOM 257 CA GLU A 16 5.789 -8.404 -5.479 1.00 11.50 C ATOM 258 C GLU A 16 6.010 -7.010 -5.890 1.00 10.13 C ATOM 259 O GLU A 16 5.202 -6.359 -6.503 1.00 9.83 O ATOM 260 CB GLU A 16 5.714 -9.297 -6.739 1.00 17.22 C ATOM 261 CG GLU A 16 6.938 -9.397 -7.662 1.00 23.33 C ATOM 262 CD GLU A 16 8.162 -9.758 -6.863 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.171 -10.874 -6.262 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.114 -8.947 -6.925 1.00 28.90 O ATOM 0 H GLU A 16 3.725 -8.026 -5.316 1.00 11.04 H new ATOM 0 HA GLU A 16 6.582 -8.823 -4.859 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.467 -10.307 -6.411 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.877 -8.944 -7.342 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.762 -10.149 -8.432 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.096 -8.448 -8.174 1.00 23.33 H new ATOM 271 N VAL A 17 7.169 -6.430 -5.463 1.00 8.99 N ATOM 272 CA VAL A 17 7.452 -5.028 -5.607 1.00 8.85 C ATOM 273 C VAL A 17 8.958 -4.713 -5.842 1.00 8.04 C ATOM 274 O VAL A 17 9.836 -5.388 -5.337 1.00 8.99 O ATOM 275 CB VAL A 17 7.090 -4.209 -4.390 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.559 -4.140 -4.160 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.692 -4.826 -3.132 1.00 10.54 C ATOM 0 H VAL A 17 7.918 -6.953 -5.010 1.00 8.99 H new ATOM 0 HA VAL A 17 6.843 -4.763 -6.472 1.00 8.85 H new ATOM 0 HB VAL A 17 7.482 -3.209 -4.576 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.351 -3.540 -3.274 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.081 -3.684 -5.027 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.167 -5.147 -4.017 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.421 -4.223 -2.265 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.309 -5.838 -3.004 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.777 -4.858 -3.226 1.00 10.54 H new ATOM 287 N GLU A 18 9.332 -3.702 -6.643 1.00 7.29 N ATOM 288 CA GLU A 18 10.604 -3.080 -6.724 1.00 7.08 C ATOM 289 C GLU A 18 10.589 -1.912 -5.695 1.00 6.45 C ATOM 290 O GLU A 18 9.527 -1.294 -5.676 1.00 5.28 O ATOM 291 CB GLU A 18 10.873 -2.438 -8.108 1.00 10.28 C ATOM 292 CG GLU A 18 10.881 -3.509 -9.224 1.00 12.65 C ATOM 293 CD GLU A 18 11.822 -4.661 -9.043 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.999 -4.502 -9.443 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.371 -5.709 -8.615 1.00 18.17 O ATOM 0 H GLU A 18 8.671 -3.284 -7.297 1.00 7.29 H new ATOM 0 HA GLU A 18 11.367 -3.836 -6.541 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.108 -1.691 -8.321 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.831 -1.918 -8.092 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.871 -3.907 -9.322 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.122 -3.017 -10.166 1.00 12.65 H new ATOM 302 N PRO A 19 11.531 -1.520 -4.915 1.00 7.24 N ATOM 303 CA PRO A 19 11.497 -0.424 -3.958 1.00 7.07 C ATOM 304 C PRO A 19 11.262 1.003 -4.639 1.00 6.65 C ATOM 305 O PRO A 19 10.991 1.976 -3.925 1.00 6.37 O ATOM 306 CB PRO A 19 12.851 -0.486 -3.211 1.00 7.61 C ATOM 307 CG PRO A 19 13.782 -1.139 -4.298 1.00 8.16 C ATOM 308 CD PRO A 19 12.809 -2.130 -5.001 1.00 7.49 C ATOM 0 HA PRO A 19 10.650 -0.536 -3.281 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.200 0.503 -2.913 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.792 -1.090 -2.305 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.182 -0.399 -4.991 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.634 -1.651 -3.851 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.097 -2.295 -6.039 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.815 -3.103 -4.510 1.00 7.49 H new ATOM 316 N SER A 20 11.373 1.087 -5.966 1.00 6.80 N ATOM 317 CA SER A 20 11.282 2.300 -6.745 1.00 6.28 C ATOM 318 C SER A 20 9.954 2.292 -7.427 1.00 8.45 C ATOM 319 O SER A 20 9.713 3.110 -8.312 1.00 7.26 O ATOM 320 CB SER A 20 12.384 2.287 -7.902 1.00 8.57 C ATOM 321 OG SER A 20 12.322 1.087 -8.702 1.00 11.13 O ATOM 0 H SER A 20 11.537 0.264 -6.545 1.00 6.80 H new ATOM 0 HA SER A 20 11.421 3.164 -6.095 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.244 3.157 -8.544 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.376 2.374 -7.458 1.00 8.57 H new ATOM 0 HG SER A 20 13.011 1.122 -9.398 1.00 11.13 H new ATOM 327 N ASP A 21 9.013 1.419 -7.019 1.00 7.50 N ATOM 328 CA ASP A 21 7.627 1.429 -7.433 1.00 7.70 C ATOM 329 C ASP A 21 6.856 2.479 -6.584 1.00 7.08 C ATOM 330 O ASP A 21 7.024 2.516 -5.409 1.00 8.11 O ATOM 331 CB ASP A 21 7.002 0.035 -7.247 1.00 11.00 C ATOM 332 CG ASP A 21 7.456 -0.862 -8.379 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.889 -0.365 -9.418 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.268 -2.131 -8.315 1.00 18.03 O ATOM 0 H ASP A 21 9.222 0.664 -6.366 1.00 7.50 H new ATOM 0 HA ASP A 21 7.565 1.692 -8.489 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.302 -0.387 -6.288 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.914 0.108 -7.237 1.00 11.00 H new ATOM 339 N THR A 22 6.113 3.375 -7.257 1.00 5.37 N ATOM 340 CA THR A 22 5.310 4.405 -6.596 1.00 6.01 C ATOM 341 C THR A 22 4.261 3.793 -5.770 1.00 8.01 C ATOM 342 O THR A 22 3.737 2.716 -6.056 1.00 8.11 O ATOM 343 CB THR A 22 4.774 5.592 -7.441 1.00 8.92 C ATOM 344 OG1 THR A 22 3.850 5.278 -8.377 1.00 10.22 O ATOM 345 CG2 THR A 22 5.912 6.338 -8.075 1.00 9.65 C ATOM 0 H THR A 22 6.056 3.401 -8.275 1.00 5.37 H new ATOM 0 HA THR A 22 6.044 4.916 -5.973 1.00 6.01 H new ATOM 0 HB THR A 22 4.246 6.221 -6.724 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.576 6.090 -8.852 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.520 7.167 -8.664 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.571 6.725 -7.298 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.472 5.665 -8.724 1.00 9.65 H new ATOM 353 N ILE A 23 3.822 4.509 -4.646 1.00 8.32 N ATOM 354 CA ILE A 23 2.647 4.192 -3.929 1.00 9.92 C ATOM 355 C ILE A 23 1.354 4.038 -4.747 1.00 10.01 C ATOM 356 O ILE A 23 0.504 3.209 -4.535 1.00 8.71 O ATOM 357 CB ILE A 23 2.417 4.985 -2.727 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.777 5.338 -1.961 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.532 4.291 -1.751 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.697 4.171 -1.501 1.00 12.30 C ATOM 0 H ILE A 23 4.325 5.312 -4.268 1.00 8.32 H new ATOM 0 HA ILE A 23 2.899 3.183 -3.604 1.00 9.92 H new ATOM 0 HB ILE A 23 1.939 5.897 -3.085 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.365 5.986 -2.611 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.518 5.923 -1.078 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.392 4.923 -0.874 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.565 4.093 -2.214 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.990 3.349 -1.450 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.575 4.576 -0.999 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.151 3.527 -0.812 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.011 3.591 -2.369 1.00 12.30 H new ATOM 372 N GLU A 24 1.206 4.903 -5.819 1.00 9.54 N ATOM 373 CA GLU A 24 -0.006 4.749 -6.708 1.00 11.81 C ATOM 374 C GLU A 24 0.023 3.392 -7.383 1.00 11.14 C ATOM 375 O GLU A 24 -0.970 2.674 -7.459 1.00 10.62 O ATOM 376 CB GLU A 24 0.014 5.803 -7.903 1.00 19.24 C ATOM 377 CG GLU A 24 -1.092 5.600 -8.946 1.00 27.76 C ATOM 378 CD GLU A 24 -1.043 6.677 -9.961 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.008 7.918 -9.691 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.980 6.319 -11.213 1.00 36.51 O ATOM 0 H GLU A 24 1.852 5.651 -6.071 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.880 4.887 -6.072 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.075 6.807 -7.487 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.981 5.750 -8.402 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.973 4.630 -9.429 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.066 5.595 -8.457 1.00 27.76 H new ATOM 387 N ASN A 25 1.251 2.908 -7.876 1.00 9.43 N ATOM 388 CA ASN A 25 1.541 1.683 -8.521 1.00 10.96 C ATOM 389 C ASN A 25 1.246 0.521 -7.519 1.00 9.68 C ATOM 390 O ASN A 25 0.748 -0.524 -7.871 1.00 9.33 O ATOM 391 CB ASN A 25 3.033 1.637 -9.053 1.00 16.78 C ATOM 392 CG ASN A 25 3.271 0.475 -9.956 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.720 -0.646 -9.562 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.996 0.601 -11.320 1.00 24.70 N ATOM 0 H ASN A 25 2.094 3.476 -7.786 1.00 9.43 H new ATOM 0 HA ASN A 25 0.908 1.575 -9.402 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.256 2.561 -9.586 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.718 1.584 -8.207 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.158 -0.187 -11.948 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.634 1.481 -11.688 1.00 24.70 H new ATOM 401 N VAL A 26 1.606 0.745 -6.238 1.00 6.52 N ATOM 402 CA VAL A 26 1.364 -0.256 -5.146 1.00 5.53 C ATOM 403 C VAL A 26 -0.137 -0.473 -4.882 1.00 4.42 C ATOM 404 O VAL A 26 -0.561 -1.597 -4.745 1.00 3.40 O ATOM 405 CB VAL A 26 2.232 -0.090 -3.889 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.801 -1.077 -2.731 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.735 -0.226 -4.236 1.00 8.12 C ATOM 0 H VAL A 26 2.063 1.601 -5.923 1.00 6.52 H new ATOM 0 HA VAL A 26 1.736 -1.203 -5.537 1.00 5.53 H new ATOM 0 HB VAL A 26 2.068 0.918 -3.508 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.443 -0.923 -1.864 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.765 -0.883 -2.455 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.898 -2.107 -3.076 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.330 -0.105 -3.331 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.922 -1.211 -4.664 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.013 0.542 -4.958 1.00 8.12 H new ATOM 417 N LYS A 27 -0.993 0.590 -4.767 1.00 2.64 N ATOM 418 CA LYS A 27 -2.469 0.354 -4.671 1.00 4.14 C ATOM 419 C LYS A 27 -3.010 -0.329 -5.923 1.00 5.58 C ATOM 420 O LYS A 27 -3.960 -1.139 -5.770 1.00 4.11 O ATOM 421 CB LYS A 27 -3.128 1.703 -4.384 1.00 3.97 C ATOM 422 CG LYS A 27 -2.940 2.319 -3.000 1.00 7.45 C ATOM 423 CD LYS A 27 -3.720 3.647 -2.874 1.00 9.02 C ATOM 424 CE LYS A 27 -2.977 4.854 -3.462 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.715 6.083 -3.071 1.00 15.47 N ATOM 0 H LYS A 27 -0.706 1.569 -4.740 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.701 -0.336 -3.859 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.758 2.417 -5.119 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.199 1.594 -4.557 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.281 1.619 -2.237 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.880 2.497 -2.818 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.682 3.543 -3.376 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.929 3.837 -1.821 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.953 4.890 -3.090 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.919 4.774 -4.547 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.095 6.911 -3.183 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.552 6.193 -3.678 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.015 6.007 -2.078 1.00 15.47 H new ATOM 439 N ALA A 28 -2.482 -0.076 -7.170 1.00 6.61 N ATOM 440 CA ALA A 28 -2.877 -0.902 -8.282 1.00 7.74 C ATOM 441 C ALA A 28 -2.506 -2.396 -8.235 1.00 9.17 C ATOM 442 O ALA A 28 -3.333 -3.171 -8.702 1.00 11.45 O ATOM 443 CB ALA A 28 -2.680 -0.293 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.816 0.665 -7.387 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.953 -0.906 -8.106 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.011 -1.002 -10.427 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.264 0.624 -9.749 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.625 -0.066 -9.819 1.00 7.68 H new ATOM 449 N LYS A 29 -1.395 -2.830 -7.618 1.00 8.96 N ATOM 450 CA LYS A 29 -1.156 -4.193 -7.321 1.00 7.90 C ATOM 451 C LYS A 29 -2.176 -4.817 -6.350 1.00 6.92 C ATOM 452 O LYS A 29 -2.660 -5.950 -6.514 1.00 6.87 O ATOM 453 CB LYS A 29 0.264 -4.233 -6.667 1.00 10.28 C ATOM 454 CG LYS A 29 1.404 -3.803 -7.574 1.00 14.94 C ATOM 455 CD LYS A 29 2.769 -3.835 -6.860 1.00 19.69 C ATOM 456 CE LYS A 29 3.973 -3.426 -7.703 1.00 22.63 C ATOM 457 NZ LYS A 29 4.214 -4.312 -8.848 1.00 24.98 N ATOM 0 H LYS A 29 -0.644 -2.208 -7.319 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.240 -4.775 -8.239 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.259 -3.591 -5.786 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.459 -5.248 -6.321 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.438 -4.457 -8.445 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.212 -2.794 -7.940 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.718 -3.178 -5.992 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.938 -4.845 -6.486 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.824 -2.409 -8.066 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.861 -3.412 -7.071 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.045 -3.978 -9.377 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.387 -5.280 -8.508 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.382 -4.308 -9.472 1.00 24.98 H new ATOM 471 N ILE A 30 -2.519 -4.081 -5.282 1.00 4.57 N ATOM 472 CA ILE A 30 -3.607 -4.546 -4.367 1.00 5.58 C ATOM 473 C ILE A 30 -4.896 -4.715 -5.096 1.00 7.26 C ATOM 474 O ILE A 30 -5.465 -5.758 -4.903 1.00 9.46 O ATOM 475 CB ILE A 30 -3.737 -3.720 -3.178 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.299 -3.505 -2.411 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.794 -4.265 -2.190 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.305 -2.715 -1.089 1.00 2.00 C ATOM 0 H ILE A 30 -2.087 -3.194 -5.025 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.315 -5.531 -4.003 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.082 -2.748 -3.532 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.874 -4.489 -2.212 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.623 -3.000 -3.101 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.850 -3.611 -1.320 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.767 -4.301 -2.681 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.511 -5.268 -1.871 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.290 -2.653 -0.698 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.687 -1.710 -1.267 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.942 -3.222 -0.365 1.00 2.00 H new ATOM 490 N GLN A 31 -5.249 -3.780 -6.002 1.00 7.06 N ATOM 491 CA GLN A 31 -6.471 -3.821 -6.884 1.00 8.67 C ATOM 492 C GLN A 31 -6.456 -4.987 -7.904 1.00 10.90 C ATOM 493 O GLN A 31 -7.467 -5.625 -8.224 1.00 9.63 O ATOM 494 CB GLN A 31 -6.445 -2.493 -7.665 1.00 9.12 C ATOM 495 CG GLN A 31 -7.669 -2.263 -8.519 1.00 10.76 C ATOM 496 CD GLN A 31 -7.538 -1.097 -9.494 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.386 -0.862 -9.880 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.706 -0.691 -10.049 1.00 14.76 N ATOM 0 H GLN A 31 -4.686 -2.944 -6.158 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.359 -3.966 -6.269 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.347 -1.669 -6.958 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.561 -2.474 -8.302 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.882 -3.172 -9.082 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.525 -2.084 -7.868 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.593 -0.959 -9.623 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.698 -0.117 -10.892 1.00 14.76 H new ATOM 507 N ASP A 32 -5.261 -5.256 -8.426 1.00 10.93 N ATOM 508 CA ASP A 32 -4.994 -6.374 -9.278 1.00 14.01 C ATOM 509 C ASP A 32 -5.271 -7.729 -8.569 1.00 14.04 C ATOM 510 O ASP A 32 -5.989 -8.586 -9.075 1.00 13.39 O ATOM 511 CB ASP A 32 -3.527 -6.335 -9.776 1.00 18.01 C ATOM 512 CG ASP A 32 -3.291 -7.194 -10.962 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.945 -7.038 -12.038 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.405 -8.130 -10.946 1.00 25.17 O ATOM 0 H ASP A 32 -4.440 -4.676 -8.253 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.671 -6.298 -10.128 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.260 -5.307 -10.021 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.867 -6.652 -8.968 1.00 18.01 H new ATOM 519 N LYS A 33 -4.800 -7.946 -7.348 1.00 14.22 N ATOM 520 CA LYS A 33 -5.090 -9.137 -6.568 1.00 14.00 C ATOM 521 C LYS A 33 -6.485 -9.194 -5.853 1.00 12.37 C ATOM 522 O LYS A 33 -7.246 -10.133 -6.021 1.00 12.17 O ATOM 523 CB LYS A 33 -3.996 -9.266 -5.439 1.00 18.62 C ATOM 524 CG LYS A 33 -3.955 -10.589 -4.764 1.00 24.00 C ATOM 525 CD LYS A 33 -2.992 -10.723 -3.532 1.00 27.61 C ATOM 526 CE LYS A 33 -1.553 -10.386 -3.890 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.074 -11.308 -4.964 1.00 30.06 N ATOM 0 H LYS A 33 -4.193 -7.284 -6.864 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.094 -9.945 -7.299 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.017 -9.065 -5.875 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.175 -8.496 -4.689 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.965 -10.834 -4.435 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.670 -11.339 -5.502 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.331 -10.062 -2.734 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.040 -11.741 -3.144 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.484 -9.352 -4.227 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.918 -10.477 -3.009 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.045 -11.204 -5.077 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.296 -12.290 -4.703 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.546 -11.072 -5.860 1.00 30.06 H new ATOM 541 N GLU A 34 -6.908 -8.189 -5.082 1.00 10.11 N ATOM 542 CA GLU A 34 -8.072 -8.207 -4.219 1.00 10.07 C ATOM 543 C GLU A 34 -9.215 -7.397 -4.727 1.00 9.32 C ATOM 544 O GLU A 34 -10.329 -7.304 -4.072 1.00 11.61 O ATOM 545 CB GLU A 34 -7.619 -7.607 -2.820 1.00 14.77 C ATOM 546 CG GLU A 34 -6.603 -8.450 -2.022 1.00 18.75 C ATOM 547 CD GLU A 34 -7.213 -9.884 -1.871 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.234 -10.134 -1.195 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.685 -10.788 -2.582 1.00 21.95 O ATOM 0 H GLU A 34 -6.415 -7.297 -5.048 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.426 -9.236 -4.158 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.188 -6.621 -2.992 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.506 -7.464 -2.204 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.645 -8.491 -2.541 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.417 -8.005 -1.044 1.00 18.75 H new ATOM 556 N GLY A 35 -9.085 -6.731 -5.894 1.00 7.22 N ATOM 557 CA GLY A 35 -10.257 -6.091 -6.542 1.00 6.29 C ATOM 558 C GLY A 35 -10.743 -4.824 -5.930 1.00 6.93 C ATOM 559 O GLY A 35 -11.732 -4.281 -6.345 1.00 7.41 O ATOM 0 H GLY A 35 -8.205 -6.622 -6.399 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.005 -5.892 -7.584 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.079 -6.807 -6.544 1.00 6.29 H new ATOM 563 N ILE A 36 -9.999 -4.296 -4.967 1.00 5.86 N ATOM 564 CA ILE A 36 -10.419 -3.090 -4.288 1.00 6.07 C ATOM 565 C ILE A 36 -10.045 -1.847 -5.113 1.00 6.36 C ATOM 566 O ILE A 36 -8.867 -1.725 -5.386 1.00 6.18 O ATOM 567 CB ILE A 36 -9.595 -3.063 -2.984 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.638 -4.435 -2.182 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.114 -1.919 -2.072 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.605 -4.415 -1.099 1.00 9.49 C ATOM 0 H ILE A 36 -9.112 -4.683 -4.645 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.497 -3.082 -4.126 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.556 -2.897 -3.270 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.628 -4.586 -1.752 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.454 -5.270 -2.859 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.534 -1.897 -1.150 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.009 -0.965 -2.589 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.164 -2.090 -1.836 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.635 -5.356 -0.550 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.617 -4.284 -1.541 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.809 -3.590 -0.417 1.00 9.49 H new ATOM 582 N PRO A 37 -10.844 -0.918 -5.593 1.00 8.65 N ATOM 583 CA PRO A 37 -10.397 0.293 -6.236 1.00 9.18 C ATOM 584 C PRO A 37 -9.453 1.217 -5.442 1.00 9.85 C ATOM 585 O PRO A 37 -9.650 1.252 -4.197 1.00 8.51 O ATOM 586 CB PRO A 37 -11.695 1.048 -6.702 1.00 11.42 C ATOM 587 CG PRO A 37 -12.819 0.019 -6.473 1.00 9.27 C ATOM 588 CD PRO A 37 -12.293 -1.020 -5.543 1.00 8.33 C ATOM 0 HA PRO A 37 -9.749 -0.005 -7.060 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.860 1.956 -6.122 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.631 1.345 -7.749 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.700 0.502 -6.050 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.125 -0.431 -7.417 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.659 -0.856 -4.530 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.623 -2.014 -5.844 1.00 8.33 H new ATOM 596 N PRO A 38 -8.422 1.904 -5.994 1.00 8.71 N ATOM 597 CA PRO A 38 -7.497 2.747 -5.220 1.00 9.08 C ATOM 598 C PRO A 38 -8.036 4.045 -4.663 1.00 9.28 C ATOM 599 O PRO A 38 -7.352 4.713 -3.924 1.00 6.50 O ATOM 600 CB PRO A 38 -6.330 3.065 -6.184 1.00 10.31 C ATOM 601 CG PRO A 38 -6.241 1.840 -7.111 1.00 10.81 C ATOM 602 CD PRO A 38 -7.742 1.539 -7.261 1.00 12.00 C ATOM 0 HA PRO A 38 -7.233 2.184 -4.325 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.522 3.976 -6.750 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.398 3.218 -5.640 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.760 2.067 -8.063 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.689 1.013 -6.664 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.161 2.105 -8.093 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.897 0.483 -7.484 1.00 12.00 H new ATOM 610 N ASP A 39 -9.289 4.377 -4.979 1.00 11.20 N ATOM 611 CA ASP A 39 -10.025 5.451 -4.321 1.00 14.96 C ATOM 612 C ASP A 39 -10.813 4.807 -3.123 1.00 13.99 C ATOM 613 O ASP A 39 -11.471 5.456 -2.364 1.00 13.75 O ATOM 614 CB ASP A 39 -10.989 6.099 -5.300 1.00 24.16 C ATOM 615 CG ASP A 39 -10.151 6.738 -6.378 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.499 7.773 -6.102 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.166 6.183 -7.434 1.00 34.22 O ATOM 0 H ASP A 39 -9.824 3.902 -5.706 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.346 6.225 -3.962 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.665 5.357 -5.725 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.607 6.844 -4.798 1.00 24.16 H new ATOM 622 N GLN A 40 -10.650 3.494 -2.931 1.00 11.60 N ATOM 623 CA GLN A 40 -11.358 2.872 -1.786 1.00 10.76 C ATOM 624 C GLN A 40 -10.210 2.321 -0.929 1.00 8.01 C ATOM 625 O GLN A 40 -10.473 1.649 0.060 1.00 8.96 O ATOM 626 CB GLN A 40 -12.386 1.707 -2.116 1.00 11.14 C ATOM 627 CG GLN A 40 -13.693 2.343 -2.740 1.00 14.85 C ATOM 628 CD GLN A 40 -14.696 1.233 -2.945 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.702 0.340 -2.113 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.506 1.243 -3.994 1.00 18.16 N ATOM 0 H GLN A 40 -10.079 2.871 -3.502 1.00 11.60 H new ATOM 0 HA GLN A 40 -12.000 3.619 -1.318 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.941 0.997 -2.814 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.631 1.152 -1.210 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -14.099 3.107 -2.077 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.465 2.831 -3.688 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.464 2.012 -4.663 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.171 0.482 -4.132 1.00 18.16 H new ATOM 639 N GLN A 41 -8.947 2.640 -1.249 1.00 6.52 N ATOM 640 CA GLN A 41 -7.758 2.207 -0.489 1.00 3.87 C ATOM 641 C GLN A 41 -7.108 3.394 0.167 1.00 4.79 C ATOM 642 O GLN A 41 -7.173 4.469 -0.328 1.00 6.34 O ATOM 643 CB GLN A 41 -6.675 1.455 -1.388 1.00 4.20 C ATOM 644 CG GLN A 41 -7.128 0.115 -2.022 1.00 3.20 C ATOM 645 CD GLN A 41 -5.994 -0.404 -2.855 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.916 -0.701 -2.317 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.187 -0.674 -4.148 1.00 7.13 N ATOM 0 H GLN A 41 -8.716 3.217 -2.058 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.113 1.496 0.257 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.368 2.127 -2.189 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.793 1.264 -0.776 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.393 -0.604 -1.247 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.016 0.264 -2.636 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.072 -0.431 -4.593 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.449 -1.123 -4.691 1.00 7.13 H new ATOM 656 N ARG A 42 -6.439 3.110 1.294 1.00 5.73 N ATOM 657 CA ARG A 42 -5.485 4.021 1.836 1.00 6.97 C ATOM 658 C ARG A 42 -4.371 3.201 2.398 1.00 7.15 C ATOM 659 O ARG A 42 -4.637 2.086 2.859 1.00 7.33 O ATOM 660 CB ARG A 42 -6.111 4.888 2.992 1.00 13.23 C ATOM 661 CG ARG A 42 -7.076 6.052 2.782 1.00 21.27 C ATOM 662 CD ARG A 42 -7.431 6.903 4.060 1.00 26.14 C ATOM 663 NE ARG A 42 -8.073 8.217 3.654 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.402 8.400 3.650 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.310 7.489 4.043 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.907 9.602 3.312 1.00 36.39 N ATOM 0 H ARG A 42 -6.558 2.250 1.830 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.143 4.702 1.056 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.625 4.187 3.649 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.269 5.293 3.554 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.649 6.720 2.034 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.003 5.657 2.365 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.109 6.342 4.702 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.528 7.095 4.640 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.471 8.991 3.373 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.004 6.575 4.377 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.305 7.712 4.007 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.280 10.366 3.061 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.916 9.748 3.307 1.00 36.39 H new ATOM 680 N LEU A 43 -3.119 3.673 2.417 1.00 4.65 N ATOM 681 CA LEU A 43 -2.004 2.867 2.885 1.00 3.51 C ATOM 682 C LEU A 43 -1.201 3.575 4.019 1.00 5.56 C ATOM 683 O LEU A 43 -1.063 4.816 4.006 1.00 4.19 O ATOM 684 CB LEU A 43 -1.042 2.583 1.697 1.00 3.74 C ATOM 685 CG LEU A 43 -1.550 1.541 0.669 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.523 1.343 -0.479 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.806 0.187 1.341 1.00 6.41 C ATOM 0 H LEU A 43 -2.860 4.611 2.112 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.415 1.941 3.287 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.849 3.520 1.175 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.088 2.239 2.097 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.483 1.925 0.257 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.905 0.607 -1.186 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.364 2.291 -0.993 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.422 0.992 -0.065 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.162 -0.527 0.598 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.880 -0.181 1.783 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.559 0.304 2.121 1.00 6.41 H new ATOM 699 N ILE A 44 -0.893 2.778 5.091 1.00 4.58 N ATOM 700 CA ILE A 44 -0.263 3.223 6.292 1.00 5.55 C ATOM 701 C ILE A 44 1.009 2.415 6.523 1.00 5.46 C ATOM 702 O ILE A 44 1.012 1.202 6.504 1.00 6.04 O ATOM 703 CB ILE A 44 -1.137 3.095 7.559 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.645 3.279 7.400 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.442 3.955 8.676 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.138 4.700 6.986 1.00 13.90 C ATOM 0 H ILE A 44 -1.101 1.779 5.102 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.065 4.284 6.142 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.166 2.047 7.857 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.998 2.566 6.655 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.121 3.015 8.344 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.025 3.896 9.595 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.562 3.572 8.858 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.381 4.993 8.351 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.225 4.699 6.907 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.829 5.426 7.738 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.704 4.969 6.023 1.00 13.90 H new ATOM 718 N PHE A 45 2.132 3.062 6.833 1.00 6.75 N ATOM 719 CA PHE A 45 3.382 2.425 7.237 1.00 4.70 C ATOM 720 C PHE A 45 4.036 3.348 8.235 1.00 6.34 C ATOM 721 O PHE A 45 4.230 4.515 8.077 1.00 5.45 O ATOM 722 CB PHE A 45 4.273 2.188 5.962 1.00 5.51 C ATOM 723 CG PHE A 45 5.587 1.473 6.287 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.614 2.275 6.817 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.729 0.103 6.035 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.878 1.668 7.063 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.938 -0.525 6.364 1.00 6.68 C ATOM 728 CZ PHE A 45 8.010 0.275 6.923 1.00 6.84 C ATOM 0 H PHE A 45 2.197 4.080 6.808 1.00 6.75 H new ATOM 0 HA PHE A 45 3.226 1.450 7.699 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.713 1.599 5.236 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.492 3.147 5.493 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.448 3.321 7.031 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.920 -0.461 5.594 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.726 2.270 7.354 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.069 -1.585 6.204 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.924 -0.206 7.237 1.00 6.84 H new ATOM 738 N ALA A 46 4.469 2.759 9.334 1.00 6.53 N ATOM 739 CA ALA A 46 5.134 3.369 10.515 1.00 7.15 C ATOM 740 C ALA A 46 4.465 4.588 11.008 1.00 9.00 C ATOM 741 O ALA A 46 5.117 5.543 11.535 1.00 11.15 O ATOM 742 CB ALA A 46 6.607 3.715 10.173 1.00 8.99 C ATOM 0 H ALA A 46 4.364 1.751 9.453 1.00 6.53 H new ATOM 0 HA ALA A 46 5.077 2.624 11.309 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.087 4.162 11.044 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.138 2.806 9.892 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.632 4.421 9.343 1.00 8.99 H new ATOM 748 N GLY A 47 3.127 4.632 10.968 1.00 9.35 N ATOM 749 CA GLY A 47 2.202 5.656 11.306 1.00 11.68 C ATOM 750 C GLY A 47 2.062 6.710 10.273 1.00 11.14 C ATOM 751 O GLY A 47 1.437 7.782 10.487 1.00 13.93 O ATOM 0 H GLY A 47 2.620 3.808 10.644 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.226 5.205 11.484 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.515 6.119 12.242 1.00 11.68 H new ATOM 755 N LYS A 48 2.812 6.615 9.190 1.00 10.47 N ATOM 756 CA LYS A 48 2.701 7.516 8.095 1.00 8.82 C ATOM 757 C LYS A 48 1.590 6.978 7.195 1.00 7.68 C ATOM 758 O LYS A 48 1.616 5.803 6.831 1.00 6.47 O ATOM 759 CB LYS A 48 3.981 7.790 7.231 1.00 9.74 C ATOM 760 CG LYS A 48 5.136 8.288 8.108 1.00 14.14 C ATOM 761 CD LYS A 48 6.494 8.283 7.395 1.00 16.32 C ATOM 762 CE LYS A 48 7.658 8.983 8.161 1.00 20.04 C ATOM 763 NZ LYS A 48 8.941 8.794 7.509 1.00 23.92 N ATOM 0 H LYS A 48 3.521 5.893 9.060 1.00 10.47 H new ATOM 0 HA LYS A 48 2.500 8.491 8.540 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.278 6.877 6.715 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.755 8.531 6.464 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.915 9.301 8.444 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.200 7.663 8.999 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.780 7.249 7.202 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.377 8.767 6.426 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.447 10.050 8.241 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.708 8.591 9.177 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.682 9.277 8.055 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.157 7.778 7.456 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.904 9.191 6.549 1.00 23.92 H new ATOM 777 N GLN A 49 0.576 7.796 6.845 1.00 8.89 N ATOM 778 CA GLN A 49 -0.338 7.589 5.762 1.00 7.18 C ATOM 779 C GLN A 49 0.312 8.045 4.446 1.00 8.23 C ATOM 780 O GLN A 49 0.871 9.141 4.321 1.00 9.70 O ATOM 781 CB GLN A 49 -1.657 8.407 6.100 1.00 11.67 C ATOM 782 CG GLN A 49 -2.620 8.342 4.878 1.00 15.82 C ATOM 783 CD GLN A 49 -3.836 9.201 5.219 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.295 9.326 6.356 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.428 9.840 4.199 1.00 20.67 N ATOM 0 H GLN A 49 0.384 8.659 7.354 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.592 6.536 5.638 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.141 7.992 6.984 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.409 9.443 6.329 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.127 8.712 3.979 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.919 7.313 4.677 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.058 9.744 3.253 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.249 10.421 4.369 1.00 20.67 H new ATOM 794 N LEU A 50 0.337 7.145 3.480 1.00 6.51 N ATOM 795 CA LEU A 50 1.253 7.387 2.362 1.00 7.41 C ATOM 796 C LEU A 50 0.699 8.154 1.197 1.00 8.27 C ATOM 797 O LEU A 50 -0.512 8.285 1.000 1.00 8.34 O ATOM 798 CB LEU A 50 1.807 6.010 1.795 1.00 7.13 C ATOM 799 CG LEU A 50 2.394 5.083 2.851 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.934 3.816 2.272 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.486 5.694 3.762 1.00 9.11 C ATOM 0 H LEU A 50 -0.222 6.293 3.435 1.00 6.51 H new ATOM 0 HA LEU A 50 2.028 8.012 2.806 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.997 5.490 1.283 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.573 6.221 1.048 1.00 7.13 H new ATOM 0 HG LEU A 50 1.525 4.885 3.479 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.339 3.195 3.071 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.134 3.278 1.764 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.724 4.050 1.558 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.829 4.943 4.473 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.326 6.025 3.151 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.073 6.545 4.304 1.00 9.11 H new ATOM 813 N GLU A 51 1.586 8.712 0.321 1.00 9.43 N ATOM 814 CA GLU A 51 1.235 9.514 -0.827 1.00 11.90 C ATOM 815 C GLU A 51 1.524 8.799 -2.123 1.00 11.49 C ATOM 816 O GLU A 51 2.588 8.218 -2.218 1.00 9.88 O ATOM 817 CB GLU A 51 2.028 10.832 -0.804 1.00 16.56 C ATOM 818 CG GLU A 51 1.500 11.807 0.291 1.00 26.06 C ATOM 819 CD GLU A 51 2.180 13.142 0.194 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.852 13.926 -0.735 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.026 13.474 1.024 1.00 32.13 O ATOM 0 H GLU A 51 2.594 8.594 0.424 1.00 9.43 H new ATOM 0 HA GLU A 51 0.164 9.709 -0.772 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.082 10.619 -0.623 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.963 11.312 -1.780 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.423 11.934 0.181 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.671 11.378 1.278 1.00 26.06 H new ATOM 828 N ASP A 52 0.639 8.932 -3.140 1.00 12.71 N ATOM 829 CA ASP A 52 0.652 8.316 -4.468 1.00 16.56 C ATOM 830 C ASP A 52 1.943 8.577 -5.293 1.00 15.83 C ATOM 831 O ASP A 52 2.530 7.664 -5.830 1.00 17.21 O ATOM 832 CB ASP A 52 -0.542 8.806 -5.293 1.00 21.05 C ATOM 833 CG ASP A 52 -1.838 8.163 -4.870 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.119 8.187 -3.656 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.702 7.731 -5.671 1.00 28.37 O ATOM 0 H ASP A 52 -0.177 9.534 -3.029 1.00 12.71 H new ATOM 0 HA ASP A 52 0.602 7.244 -4.277 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.628 9.888 -5.195 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.362 8.595 -6.347 1.00 21.05 H new ATOM 840 N GLY A 53 2.513 9.765 -5.287 1.00 15.00 N ATOM 841 CA GLY A 53 3.729 10.030 -6.105 1.00 11.77 C ATOM 842 C GLY A 53 4.998 9.615 -5.437 1.00 11.10 C ATOM 843 O GLY A 53 6.094 9.624 -6.047 1.00 11.25 O ATOM 0 H GLY A 53 2.180 10.562 -4.744 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.639 9.504 -7.056 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.779 11.095 -6.333 1.00 11.77 H new ATOM 847 N ARG A 54 4.927 9.111 -4.137 1.00 8.53 N ATOM 848 CA ARG A 54 6.172 8.637 -3.444 1.00 9.05 C ATOM 849 C ARG A 54 6.453 7.218 -3.908 1.00 8.96 C ATOM 850 O ARG A 54 5.579 6.683 -4.541 1.00 11.60 O ATOM 851 CB ARG A 54 6.065 8.776 -1.913 1.00 7.97 C ATOM 852 CG ARG A 54 6.009 10.156 -1.344 1.00 9.62 C ATOM 853 CD ARG A 54 7.357 10.953 -1.502 1.00 12.20 C ATOM 854 NE ARG A 54 7.113 12.369 -1.078 1.00 18.23 N ATOM 855 CZ ARG A 54 8.100 13.245 -0.770 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.365 12.977 -1.143 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.896 14.449 -0.266 1.00 23.38 N ATOM 0 H ARG A 54 4.070 9.032 -3.590 1.00 8.53 H new ATOM 0 HA ARG A 54 7.021 9.265 -3.714 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.171 8.243 -1.589 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.919 8.264 -1.469 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.208 10.710 -1.833 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.754 10.095 -0.286 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.139 10.502 -0.891 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.700 10.919 -2.536 1.00 12.20 H new ATOM 0 HE ARG A 54 6.148 12.693 -1.018 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.575 12.120 -1.654 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.113 13.631 -0.915 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.946 14.772 -0.085 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.689 15.056 -0.058 1.00 23.38 H new ATOM 871 N THR A 55 7.678 6.691 -3.696 1.00 9.05 N ATOM 872 CA THR A 55 8.016 5.311 -3.918 1.00 9.03 C ATOM 873 C THR A 55 8.142 4.712 -2.582 1.00 8.15 C ATOM 874 O THR A 55 8.195 5.377 -1.543 1.00 5.91 O ATOM 875 CB THR A 55 9.312 5.061 -4.718 1.00 11.15 C ATOM 876 OG1 THR A 55 10.503 5.387 -3.999 1.00 11.95 O ATOM 877 CG2 THR A 55 9.238 5.895 -6.009 1.00 11.71 C ATOM 0 H THR A 55 8.463 7.246 -3.357 1.00 9.05 H new ATOM 0 HA THR A 55 7.234 4.869 -4.536 1.00 9.03 H new ATOM 0 HB THR A 55 9.374 3.993 -4.927 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.323 6.133 -3.390 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.143 5.738 -6.596 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.370 5.587 -6.592 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.149 6.951 -5.755 1.00 11.71 H new ATOM 885 N LEU A 56 8.179 3.351 -2.603 1.00 6.91 N ATOM 886 CA LEU A 56 8.527 2.623 -1.340 1.00 8.29 C ATOM 887 C LEU A 56 9.800 3.047 -0.642 1.00 8.05 C ATOM 888 O LEU A 56 9.774 3.077 0.605 1.00 10.17 O ATOM 889 CB LEU A 56 8.566 1.130 -1.703 1.00 6.60 C ATOM 890 CG LEU A 56 7.292 0.497 -2.229 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.513 -0.970 -2.740 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.161 0.456 -1.180 1.00 8.64 C ATOM 0 H LEU A 56 7.988 2.765 -3.416 1.00 6.91 H new ATOM 0 HA LEU A 56 7.766 2.869 -0.600 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.345 0.988 -2.452 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.873 0.577 -0.815 1.00 6.60 H new ATOM 0 HG LEU A 56 6.999 1.141 -3.058 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.569 -1.374 -3.105 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.244 -0.967 -3.549 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.880 -1.589 -1.921 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.277 -0.008 -1.617 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.486 -0.124 -0.317 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.920 1.471 -0.865 1.00 8.64 H new ATOM 904 N SER A 57 10.887 3.347 -1.397 1.00 8.92 N ATOM 905 CA SER A 57 12.173 3.714 -0.910 1.00 9.00 C ATOM 906 C SER A 57 12.172 4.967 -0.015 1.00 9.44 C ATOM 907 O SER A 57 12.838 5.066 1.007 1.00 10.91 O ATOM 908 CB SER A 57 13.209 3.862 -2.053 1.00 10.32 C ATOM 909 OG SER A 57 13.072 5.063 -2.838 1.00 13.59 O ATOM 0 H SER A 57 10.851 3.328 -2.416 1.00 8.92 H new ATOM 0 HA SER A 57 12.474 2.882 -0.273 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.210 3.838 -1.623 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.125 3.000 -2.715 1.00 10.32 H new ATOM 0 HG SER A 57 12.171 5.102 -3.221 1.00 13.59 H new ATOM 915 N ASP A 58 11.375 5.989 -0.390 1.00 9.11 N ATOM 916 CA ASP A 58 11.244 7.259 0.257 1.00 7.91 C ATOM 917 C ASP A 58 10.716 7.078 1.676 1.00 9.12 C ATOM 918 O ASP A 58 10.994 7.888 2.555 1.00 8.61 O ATOM 919 CB ASP A 58 10.257 8.220 -0.597 1.00 8.41 C ATOM 920 CG ASP A 58 10.758 8.379 -2.001 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.606 9.260 -2.282 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.198 7.643 -2.877 1.00 11.70 O ATOM 0 H ASP A 58 10.776 5.918 -1.212 1.00 9.11 H new ATOM 0 HA ASP A 58 12.226 7.729 0.312 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.252 7.798 -0.610 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.187 9.196 -0.118 1.00 8.41 H new ATOM 927 N TYR A 59 9.954 6.031 2.017 1.00 7.97 N ATOM 928 CA TYR A 59 9.464 5.750 3.385 1.00 8.45 C ATOM 929 C TYR A 59 10.293 4.770 4.137 1.00 10.98 C ATOM 930 O TYR A 59 10.061 4.514 5.335 1.00 12.95 O ATOM 931 CB TYR A 59 8.015 5.158 3.283 1.00 7.94 C ATOM 932 CG TYR A 59 7.102 6.278 2.865 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.785 7.354 3.754 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.484 6.297 1.574 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.869 8.348 3.446 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.652 7.368 1.264 1.00 6.52 C ATOM 937 CZ TYR A 59 5.347 8.362 2.171 1.00 6.76 C ATOM 938 OH TYR A 59 4.409 9.322 1.756 1.00 7.63 O ATOM 0 H TYR A 59 9.650 5.335 1.337 1.00 7.97 H new ATOM 0 HA TYR A 59 9.504 6.696 3.926 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.982 4.345 2.558 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.701 4.744 4.241 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.284 7.393 4.711 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.658 5.504 0.862 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.575 9.085 4.179 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.227 7.424 0.273 1.00 6.52 H new ATOM 0 HH TYR A 59 4.845 10.197 1.688 1.00 7.63 H new ATOM 948 N ASN A 60 11.338 4.210 3.492 1.00 12.38 N ATOM 949 CA ASN A 60 12.136 3.098 3.942 1.00 13.94 C ATOM 950 C ASN A 60 11.370 1.803 4.145 1.00 14.16 C ATOM 951 O ASN A 60 11.515 1.061 5.091 1.00 14.26 O ATOM 952 CB ASN A 60 13.064 3.386 5.151 1.00 19.23 C ATOM 953 CG ASN A 60 13.909 4.603 4.955 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.647 5.677 5.499 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.995 4.534 4.131 1.00 24.09 N ATOM 0 H ASN A 60 11.650 4.561 2.586 1.00 12.38 H new ATOM 0 HA ASN A 60 12.792 2.949 3.085 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.457 3.511 6.048 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.710 2.524 5.321 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.571 5.361 3.976 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.231 3.655 3.670 1.00 24.09 H new ATOM 962 N ILE A 61 10.495 1.408 3.193 1.00 11.08 N ATOM 963 CA ILE A 61 9.837 0.123 2.971 1.00 11.78 C ATOM 964 C ILE A 61 10.813 -0.796 2.138 1.00 13.74 C ATOM 965 O ILE A 61 11.359 -0.528 1.084 1.00 14.60 O ATOM 966 CB ILE A 61 8.508 0.195 2.346 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.601 1.213 3.068 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.799 -1.181 2.214 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.428 1.759 2.220 1.00 11.42 C ATOM 0 H ILE A 61 10.205 2.075 2.478 1.00 11.08 H new ATOM 0 HA ILE A 61 9.634 -0.302 3.954 1.00 11.78 H new ATOM 0 HB ILE A 61 8.685 0.541 1.328 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.194 0.744 3.964 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.213 2.053 3.398 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.825 -1.045 1.744 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.407 -1.847 1.602 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.666 -1.618 3.204 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.849 2.466 2.813 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.821 2.262 1.337 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.787 0.933 1.912 1.00 11.42 H new ATOM 981 N GLN A 62 11.056 -1.925 2.758 1.00 13.97 N ATOM 982 CA GLN A 62 12.037 -2.881 2.305 1.00 15.52 C ATOM 983 C GLN A 62 11.603 -4.308 2.599 1.00 13.94 C ATOM 984 O GLN A 62 10.511 -4.480 3.190 1.00 12.15 O ATOM 985 CB GLN A 62 13.447 -2.504 2.902 1.00 19.53 C ATOM 986 CG GLN A 62 13.606 -2.651 4.457 1.00 26.38 C ATOM 987 CD GLN A 62 14.973 -2.256 4.967 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.877 -2.103 4.125 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.126 -2.099 6.277 1.00 32.71 N ATOM 0 H GLN A 62 10.569 -2.210 3.607 1.00 13.97 H new ATOM 0 HA GLN A 62 12.124 -2.836 1.219 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.200 -3.128 2.421 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.668 -1.471 2.632 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.852 -2.037 4.950 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.408 -3.685 4.738 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.334 -2.243 6.904 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.035 -1.834 6.656 1.00 32.71 H new ATOM 998 N LYS A 63 12.392 -5.251 2.088 1.00 11.73 N ATOM 999 CA LYS A 63 12.127 -6.714 2.109 1.00 11.97 C ATOM 1000 C LYS A 63 11.401 -7.305 3.272 1.00 10.41 C ATOM 1001 O LYS A 63 11.886 -7.244 4.385 1.00 9.59 O ATOM 1002 CB LYS A 63 13.438 -7.488 1.836 1.00 13.73 C ATOM 1003 CG LYS A 63 13.332 -8.974 1.390 1.00 16.98 C ATOM 1004 CD LYS A 63 14.717 -9.525 0.943 1.00 20.19 C ATOM 1005 CE LYS A 63 14.757 -10.990 0.801 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.107 -11.756 1.994 1.00 25.97 N ATOM 0 H LYS A 63 13.272 -5.022 1.626 1.00 11.73 H new ATOM 0 HA LYS A 63 11.395 -6.833 1.310 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.990 -6.948 1.067 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.040 -7.455 2.744 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.945 -9.577 2.212 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.620 -9.061 0.569 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.988 -9.070 -0.009 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.471 -9.219 1.669 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.779 -11.325 0.457 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.473 -11.236 0.017 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.732 -12.544 1.730 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.597 -11.138 2.672 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.242 -12.132 2.432 1.00 25.97 H new ATOM 1020 N GLU A 64 10.212 -7.829 2.971 1.00 10.04 N ATOM 1021 CA GLU A 64 9.399 -8.731 3.807 1.00 10.94 C ATOM 1022 C GLU A 64 8.809 -8.000 5.028 1.00 9.74 C ATOM 1023 O GLU A 64 8.383 -8.527 6.027 1.00 9.42 O ATOM 1024 CB GLU A 64 10.209 -9.926 4.352 1.00 18.31 C ATOM 1025 CG GLU A 64 10.660 -10.977 3.307 1.00 24.16 C ATOM 1026 CD GLU A 64 11.769 -11.934 3.769 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.031 -12.167 4.980 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.293 -12.521 2.792 1.00 32.61 O ATOM 0 H GLU A 64 9.757 -7.625 2.081 1.00 10.04 H new ATOM 0 HA GLU A 64 8.608 -9.087 3.147 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.096 -9.539 4.854 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.609 -10.431 5.109 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.792 -11.568 3.014 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.004 -10.453 2.415 1.00 24.16 H new ATOM 1035 N SER A 65 8.845 -6.615 4.870 1.00 6.85 N ATOM 1036 CA SER A 65 8.353 -5.629 5.835 1.00 6.90 C ATOM 1037 C SER A 65 6.873 -5.376 5.741 1.00 4.72 C ATOM 1038 O SER A 65 6.223 -5.640 4.726 1.00 3.91 O ATOM 1039 CB SER A 65 9.173 -4.293 5.786 1.00 7.28 C ATOM 1040 OG SER A 65 8.884 -3.490 6.899 1.00 10.56 O ATOM 0 H SER A 65 9.234 -6.180 4.034 1.00 6.85 H new ATOM 0 HA SER A 65 8.516 -6.080 6.814 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.240 -4.516 5.760 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.939 -3.751 4.870 1.00 7.28 H new ATOM 0 HG SER A 65 9.407 -2.663 6.850 1.00 10.56 H new ATOM 1046 N THR A 66 6.216 -4.930 6.889 1.00 4.48 N ATOM 1047 CA THR A 66 4.712 -4.870 7.010 1.00 3.80 C ATOM 1048 C THR A 66 4.188 -3.489 6.690 1.00 4.60 C ATOM 1049 O THR A 66 4.487 -2.561 7.383 1.00 5.33 O ATOM 1050 CB THR A 66 4.251 -5.345 8.392 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.759 -6.662 8.618 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.706 -5.353 8.482 1.00 3.40 C ATOM 0 H THR A 66 6.707 -4.614 7.725 1.00 4.48 H new ATOM 0 HA THR A 66 4.290 -5.552 6.272 1.00 3.80 H new ATOM 0 HB THR A 66 4.630 -4.662 9.152 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.472 -6.976 9.501 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.401 -5.694 9.471 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.326 -4.345 8.312 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.301 -6.026 7.726 1.00 3.40 H new ATOM 1060 N LEU A 67 3.321 -3.394 5.622 1.00 4.17 N ATOM 1061 CA LEU A 67 2.613 -2.252 5.134 1.00 3.85 C ATOM 1062 C LEU A 67 1.152 -2.558 5.466 1.00 3.80 C ATOM 1063 O LEU A 67 0.661 -3.629 5.376 1.00 5.54 O ATOM 1064 CB LEU A 67 2.789 -2.221 3.552 1.00 7.18 C ATOM 1065 CG LEU A 67 2.195 -1.061 2.779 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.728 0.303 3.188 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.363 -1.289 1.247 1.00 11.66 C ATOM 0 H LEU A 67 3.112 -4.218 5.059 1.00 4.17 H new ATOM 0 HA LEU A 67 2.951 -1.305 5.555 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.857 -2.250 3.337 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.359 -3.140 3.153 1.00 7.18 H new ATOM 0 HG LEU A 67 1.135 -1.043 3.033 1.00 9.67 H new ATOM 0 HD11 LEU A 67 2.251 1.076 2.586 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.510 0.478 4.242 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.806 0.335 3.030 1.00 8.12 H new ATOM 0 HD21 LEU A 67 1.932 -0.448 0.704 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.423 -1.372 1.005 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.852 -2.207 0.958 1.00 11.66 H new ATOM 1079 N HIS A 68 0.404 -1.517 5.811 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.865 -1.652 6.394 1.00 4.17 C ATOM 1081 C HIS A 68 -1.885 -0.965 5.503 1.00 5.32 C ATOM 1082 O HIS A 68 -1.581 0.091 4.953 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.046 -1.069 7.814 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.354 -1.901 8.833 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.964 -2.884 9.564 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.904 -1.819 9.383 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.128 -3.333 10.505 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.009 -2.795 10.423 1.00 16.30 N ATOM 0 H HIS A 68 0.696 -0.549 5.678 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.000 -2.729 6.491 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.654 -0.052 7.845 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.108 -1.008 8.052 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.681 -1.133 9.080 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.395 -4.070 11.248 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.834 -3.011 10.983 1.00 16.30 H new ATOM 1096 N LEU A 69 -2.999 -1.642 5.350 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.009 -1.318 4.358 1.00 3.97 C ATOM 1098 C LEU A 69 -5.350 -1.092 5.070 1.00 5.07 C ATOM 1099 O LEU A 69 -5.892 -1.976 5.711 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.075 -2.494 3.280 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.255 -2.607 2.429 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.362 -1.505 1.413 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.286 -3.929 1.662 1.00 9.96 C ATOM 0 H LEU A 69 -3.238 -2.452 5.922 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.761 -0.400 3.825 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.207 -2.392 2.628 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.963 -3.437 3.815 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.093 -2.544 3.124 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.261 -1.649 0.813 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.416 -0.543 1.924 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.486 -1.522 0.764 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.182 -3.969 1.042 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.402 -4.003 1.028 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.296 -4.759 2.368 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.017 0.068 4.915 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.329 0.355 5.443 1.00 6.26 C ATOM 1117 C VAL A 70 -8.148 0.812 4.242 1.00 9.22 C ATOM 1118 O VAL A 70 -7.623 1.006 3.098 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.430 1.348 6.592 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.541 0.856 7.750 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.913 2.745 6.146 1.00 8.54 C ATOM 0 H VAL A 70 -5.624 0.852 4.394 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.696 -0.552 5.923 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.472 1.426 6.902 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.604 1.559 8.581 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.882 -0.126 8.079 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.507 0.786 7.411 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.991 3.445 6.978 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.871 2.665 5.836 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.514 3.106 5.311 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.491 0.899 4.438 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.377 1.166 3.333 1.00 16.06 C ATOM 1133 C LEU A 71 -11.072 2.531 3.528 1.00 18.09 C ATOM 1134 O LEU A 71 -11.420 2.973 4.564 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.352 0.022 2.930 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.718 -1.359 2.954 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.623 -2.488 2.480 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.416 -1.457 2.139 1.00 19.57 C ATOM 0 H LEU A 71 -9.952 0.787 5.341 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.736 1.216 2.453 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.207 0.031 3.606 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.735 0.219 1.929 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.513 -1.487 4.017 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.083 -3.434 2.533 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.506 -2.538 3.117 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.928 -2.302 1.450 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.022 -2.471 2.203 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.620 -1.212 1.097 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.683 -0.757 2.539 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.420 3.118 2.346 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.883 4.460 2.100 1.00 25.83 C ATOM 1152 C ARG A 72 -13.302 4.387 1.618 1.00 27.74 C ATOM 1153 O ARG A 72 -13.637 3.419 0.976 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.925 5.265 1.219 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.285 6.677 0.786 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.076 7.334 0.206 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.482 8.756 -0.136 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.071 9.398 -1.229 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.997 9.116 -1.890 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.853 10.375 -1.743 1.00 35.02 N ATOM 0 H ARG A 72 -11.368 2.587 1.477 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.885 5.038 3.024 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.973 5.322 1.746 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.754 4.683 0.313 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.088 6.651 0.050 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.652 7.250 1.638 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.251 7.327 0.918 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.735 6.803 -0.683 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.104 9.247 0.506 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.395 8.352 -1.583 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.752 9.657 -2.719 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.739 10.608 -1.294 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.557 10.879 -2.579 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.077 5.414 1.999 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.497 5.504 1.668 1.00 30.76 C ATOM 1176 C LEU A 73 -15.622 6.626 0.624 1.00 32.18 C ATOM 1177 O LEU A 73 -14.704 7.347 0.268 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.433 5.822 2.876 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.121 4.927 4.089 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.558 5.654 5.347 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.827 3.600 3.862 1.00 29.11 C ATOM 0 H LEU A 73 -13.731 6.203 2.545 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.823 4.528 1.308 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.321 6.869 3.158 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.472 5.682 2.578 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.058 4.718 4.209 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.345 5.034 6.218 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.016 6.596 5.430 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.628 5.855 5.298 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.630 2.935 4.703 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.900 3.769 3.776 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.457 3.144 2.944 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.798 6.767 0.019 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.013 7.688 -1.037 1.00 35.33 C ATOM 1195 C ARG A 74 -16.841 9.127 -0.587 1.00 36.22 C ATOM 1196 O ARG A 74 -16.122 9.868 -1.256 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.443 7.649 -1.584 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.828 8.609 -2.695 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.210 8.481 -4.086 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.953 9.238 -3.955 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.160 9.457 -5.011 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.356 8.845 -6.192 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.195 10.326 -4.948 1.00 41.93 N ATOM 0 H ARG A 74 -17.626 6.226 0.269 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.280 7.389 -1.787 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.632 6.637 -1.942 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.121 7.823 -0.748 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.909 8.541 -2.817 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.610 9.616 -2.339 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.029 7.440 -4.354 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.857 8.901 -4.856 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.682 9.602 -3.042 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.129 8.190 -6.305 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.731 9.036 -6.975 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.036 10.850 -4.087 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.597 10.484 -5.759 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.479 9.577 0.526 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.341 10.853 1.161 1.00 36.07 C ATOM 1219 C GLY A 75 -16.253 10.868 2.186 1.00 36.16 C ATOM 1220 O GLY A 75 -15.824 11.924 2.695 1.00 36.26 O ATOM 0 H GLY A 75 -18.150 8.986 1.018 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.134 11.611 0.405 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.285 11.124 1.634 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.734 9.685 2.529 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.815 9.358 3.670 1.00 36.19 C ATOM 1226 C GLY A 76 -13.428 8.766 3.311 1.00 36.20 C ATOM 1227 O GLY A 76 -12.550 9.596 2.839 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.161 7.575 3.548 1.00 0.00 O ATOM 0 H GLY A 76 -15.951 8.851 1.984 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.655 10.269 4.247 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.326 8.651 4.324 1.00 36.19 H new TER 1232 GLY A 76