USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 22 THR OG1 : rot 180:sc= 0.00352 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.308 X(o=-0.3,f=0.017) USER MOD Set 2.1: A 7 THR OG1 : rot -179:sc= 1.48 USER MOD Set 2.2: A 9 THR OG1 : rot -59:sc= 0.901 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 156:sc= -0.241 (180deg=-1.23) USER MOD Set 3.2: A 12 THR OG1 : rot 126:sc= 0.693 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00585 (180deg=-0.195) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.0613 (180deg=-0.313) USER MOD Single : A 2 GLN : amide:sc= -1.93 K(o=-1.9,f=-0.43) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -94:sc= 1.32 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -6.51! (180deg=-6.79!) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 1.05 (180deg=-0.13) USER MOD Single : A 31 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.585 K(o=-0.58,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.48! C(o=-3.5!,f=-9.6!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0777) USER MOD Single : A 49 GLN : amide:sc= -3.88! C(o=-3.9!,f=-2.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.96! C(o=-2!,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= -0.0204 K(o=-0.02,f=-0.99) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -127:sc= 0.0011 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=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.258 -16.960 7.366 1.00 0.00 N ATOM 2 CA MET A 1 77.555 -16.838 6.057 1.00 0.00 C ATOM 3 C MET A 1 77.543 -15.378 5.622 1.00 0.00 C ATOM 4 O MET A 1 78.102 -14.513 6.298 1.00 0.00 O ATOM 5 CB MET A 1 76.121 -17.352 6.204 1.00 0.00 C ATOM 6 CG MET A 1 76.143 -18.854 6.487 1.00 0.00 C ATOM 7 SD MET A 1 75.198 -19.199 7.993 1.00 0.00 S ATOM 8 CE MET A 1 76.579 -19.797 8.999 1.00 0.00 C ATOM 0 H1 MET A 1 78.950 -17.735 7.317 1.00 0.00 H new ATOM 0 H2 MET A 1 78.750 -16.069 7.580 1.00 0.00 H new ATOM 0 H3 MET A 1 77.565 -17.161 8.115 1.00 0.00 H new ATOM 0 HA MET A 1 78.073 -17.430 5.303 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.616 -16.826 7.014 1.00 0.00 H new ATOM 0 HB3 MET A 1 75.556 -17.151 5.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.717 -19.400 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.171 -19.198 6.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 76.194 -20.251 9.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 77.145 -20.539 8.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.231 -18.962 9.256 1.00 0.00 H new ATOM 20 N GLN A 2 76.904 -15.110 4.489 1.00 0.00 N ATOM 21 CA GLN A 2 76.824 -13.749 3.968 1.00 0.00 C ATOM 22 C GLN A 2 75.863 -13.686 2.787 1.00 0.00 C ATOM 23 O GLN A 2 75.707 -14.661 2.055 1.00 0.00 O ATOM 24 CB GLN A 2 78.212 -13.274 3.530 1.00 0.00 C ATOM 25 CG GLN A 2 78.762 -14.207 2.447 1.00 0.00 C ATOM 26 CD GLN A 2 80.286 -14.195 2.477 1.00 0.00 C ATOM 27 OE1 GLN A 2 80.924 -15.165 2.070 1.00 0.00 O ATOM 28 NE2 GLN A 2 80.912 -13.147 2.942 1.00 0.00 N ATOM 0 H GLN A 2 76.436 -15.812 3.916 1.00 0.00 H new ATOM 0 HA GLN A 2 76.453 -13.097 4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 2 78.154 -12.254 3.149 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.887 -13.257 4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 2 78.394 -15.221 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 78.406 -13.890 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 2 80.381 -12.344 3.279 1.00 0.00 H new ATOM 0 HE22 GLN A 2 81.932 -13.132 2.968 1.00 0.00 H new ATOM 37 N ILE A 3 75.237 -12.527 2.597 1.00 0.00 N ATOM 38 CA ILE A 3 74.289 -12.344 1.501 1.00 0.00 C ATOM 39 C ILE A 3 74.905 -11.427 0.450 1.00 0.00 C ATOM 40 O ILE A 3 75.985 -10.874 0.665 1.00 0.00 O ATOM 41 CB ILE A 3 73.004 -11.694 2.020 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.355 -10.537 2.952 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.174 -12.722 2.784 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.148 -9.610 3.077 1.00 0.00 C ATOM 0 H ILE A 3 75.368 -11.704 3.185 1.00 0.00 H new ATOM 0 HA ILE A 3 74.058 -13.318 1.069 1.00 0.00 H new ATOM 0 HB ILE A 3 72.428 -11.321 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.639 -10.918 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.212 -9.988 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.261 -12.253 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.916 -13.547 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.751 -13.101 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.393 -8.782 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.885 -9.221 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.304 -10.165 3.485 1.00 0.00 H new ATOM 56 N PHE A 4 74.231 -11.280 -0.687 1.00 0.00 N ATOM 57 CA PHE A 4 74.743 -10.439 -1.767 1.00 0.00 C ATOM 58 C PHE A 4 73.801 -9.274 -2.062 1.00 0.00 C ATOM 59 O PHE A 4 72.589 -9.449 -2.147 1.00 0.00 O ATOM 60 CB PHE A 4 74.927 -11.285 -3.028 1.00 0.00 C ATOM 61 CG PHE A 4 75.942 -12.373 -2.760 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.509 -13.680 -2.506 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.310 -12.076 -2.763 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.444 -14.690 -2.254 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.245 -13.086 -2.510 1.00 0.00 C ATOM 66 CZ PHE A 4 77.812 -14.393 -2.256 1.00 0.00 C ATOM 0 H PHE A 4 73.336 -11.728 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 4 75.701 -10.025 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.975 -11.726 -3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.260 -10.657 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.453 -13.909 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.644 -11.068 -2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.110 -15.698 -2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.301 -12.857 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.534 -15.172 -2.062 1.00 0.00 H new ATOM 76 N VAL A 5 74.378 -8.084 -2.225 1.00 0.00 N ATOM 77 CA VAL A 5 73.595 -6.888 -2.524 1.00 0.00 C ATOM 78 C VAL A 5 74.112 -6.234 -3.801 1.00 0.00 C ATOM 79 O VAL A 5 75.249 -5.771 -3.848 1.00 0.00 O ATOM 80 CB VAL A 5 73.686 -5.897 -1.362 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.852 -4.653 -1.680 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.150 -6.556 -0.089 1.00 0.00 C ATOM 0 H VAL A 5 75.383 -7.924 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 5 72.553 -7.175 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 5 74.726 -5.607 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.918 -3.949 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.232 -4.183 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.811 -4.941 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.214 -5.851 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.110 -6.846 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.744 -7.441 0.140 1.00 0.00 H new ATOM 92 N LYS A 6 73.278 -6.204 -4.836 1.00 0.00 N ATOM 93 CA LYS A 6 73.681 -5.608 -6.109 1.00 0.00 C ATOM 94 C LYS A 6 73.060 -4.227 -6.289 1.00 0.00 C ATOM 95 O LYS A 6 71.866 -4.035 -6.057 1.00 0.00 O ATOM 96 CB LYS A 6 73.255 -6.513 -7.265 1.00 0.00 C ATOM 97 CG LYS A 6 74.383 -7.498 -7.584 1.00 0.00 C ATOM 98 CD LYS A 6 73.790 -8.763 -8.204 1.00 0.00 C ATOM 99 CE LYS A 6 74.909 -9.610 -8.810 1.00 0.00 C ATOM 100 NZ LYS A 6 75.802 -10.105 -7.724 1.00 0.00 N ATOM 0 H LYS A 6 72.330 -6.580 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 6 74.766 -5.502 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.348 -7.056 -7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.022 -5.913 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 6 75.096 -7.042 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.931 -7.747 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.256 -9.336 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.064 -8.498 -8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 6 74.486 -10.451 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 75.481 -9.018 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 76.289 -10.967 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 76.506 -9.375 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.235 -10.319 -6.879 1.00 0.00 H new ATOM 114 N THR A 7 73.883 -3.269 -6.708 1.00 0.00 N ATOM 115 CA THR A 7 73.413 -1.904 -6.925 1.00 0.00 C ATOM 116 C THR A 7 73.305 -1.611 -8.418 1.00 0.00 C ATOM 117 O THR A 7 73.619 -2.461 -9.252 1.00 0.00 O ATOM 118 CB THR A 7 74.381 -0.909 -6.279 1.00 0.00 C ATOM 119 OG1 THR A 7 75.359 -0.516 -7.232 1.00 0.00 O ATOM 120 CG2 THR A 7 75.068 -1.565 -5.081 1.00 0.00 C ATOM 0 H THR A 7 74.874 -3.412 -6.903 1.00 0.00 H new ATOM 0 HA THR A 7 72.428 -1.800 -6.470 1.00 0.00 H new ATOM 0 HB THR A 7 73.829 -0.032 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.988 0.110 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.757 -0.855 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.317 -1.865 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.621 -2.443 -5.415 1.00 0.00 H new ATOM 128 N LEU A 8 72.861 -0.402 -8.749 1.00 0.00 N ATOM 129 CA LEU A 8 72.719 -0.010 -10.147 1.00 0.00 C ATOM 130 C LEU A 8 74.083 0.055 -10.825 1.00 0.00 C ATOM 131 O LEU A 8 74.176 0.108 -12.052 1.00 0.00 O ATOM 132 CB LEU A 8 72.036 1.358 -10.239 1.00 0.00 C ATOM 133 CG LEU A 8 70.692 1.309 -9.512 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.640 2.417 -8.458 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.560 1.513 -10.523 1.00 0.00 C ATOM 0 H LEU A 8 72.596 0.317 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 8 72.108 -0.756 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.673 2.124 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.886 1.632 -11.283 1.00 0.00 H new ATOM 0 HG LEU A 8 70.577 0.341 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.682 2.382 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.447 2.273 -7.739 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.755 3.386 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.601 1.478 -10.007 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.676 2.482 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.596 0.724 -11.274 1.00 0.00 H new ATOM 147 N THR A 9 75.141 0.048 -10.019 1.00 0.00 N ATOM 148 CA THR A 9 76.497 0.104 -10.553 1.00 0.00 C ATOM 149 C THR A 9 77.000 -1.298 -10.883 1.00 0.00 C ATOM 150 O THR A 9 78.139 -1.473 -11.316 1.00 0.00 O ATOM 151 CB THR A 9 77.433 0.758 -9.535 1.00 0.00 C ATOM 152 OG1 THR A 9 77.786 -0.193 -8.539 1.00 0.00 O ATOM 153 CG2 THR A 9 76.729 1.947 -8.880 1.00 0.00 C ATOM 0 H THR A 9 75.086 0.004 -9.001 1.00 0.00 H new ATOM 0 HA THR A 9 76.484 0.698 -11.467 1.00 0.00 H new ATOM 0 HB THR A 9 78.333 1.106 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.975 -0.520 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.398 2.411 -8.155 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.459 2.676 -9.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.828 1.602 -8.373 1.00 0.00 H new ATOM 161 N GLY A 10 76.144 -2.292 -10.676 1.00 0.00 N ATOM 162 CA GLY A 10 76.512 -3.675 -10.954 1.00 0.00 C ATOM 163 C GLY A 10 77.441 -4.219 -9.876 1.00 0.00 C ATOM 164 O GLY A 10 77.826 -5.388 -9.904 1.00 0.00 O ATOM 0 H GLY A 10 75.197 -2.168 -10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.614 -4.290 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.001 -3.737 -11.926 1.00 0.00 H new ATOM 168 N LYS A 11 77.802 -3.362 -8.925 1.00 0.00 N ATOM 169 CA LYS A 11 78.688 -3.769 -7.840 1.00 0.00 C ATOM 170 C LYS A 11 77.935 -4.625 -6.827 1.00 0.00 C ATOM 171 O LYS A 11 76.884 -4.226 -6.322 1.00 0.00 O ATOM 172 CB LYS A 11 79.260 -2.532 -7.143 1.00 0.00 C ATOM 173 CG LYS A 11 80.461 -2.940 -6.289 1.00 0.00 C ATOM 174 CD LYS A 11 81.048 -1.701 -5.608 1.00 0.00 C ATOM 175 CE LYS A 11 82.115 -2.130 -4.600 1.00 0.00 C ATOM 176 NZ LYS A 11 83.365 -1.352 -4.839 1.00 0.00 N ATOM 0 H LYS A 11 77.497 -2.389 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 11 79.503 -4.358 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.561 -1.791 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.497 -2.067 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.156 -3.670 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.217 -3.419 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.483 -1.035 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.260 -1.142 -5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.759 -1.963 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.314 -3.197 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.091 -1.643 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.707 -1.533 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.169 -0.337 -4.726 1.00 0.00 H new ATOM 190 N THR A 12 78.477 -5.803 -6.535 1.00 0.00 N ATOM 191 CA THR A 12 77.846 -6.708 -5.581 1.00 0.00 C ATOM 192 C THR A 12 78.549 -6.638 -4.228 1.00 0.00 C ATOM 193 O THR A 12 79.709 -7.025 -4.103 1.00 0.00 O ATOM 194 CB THR A 12 77.898 -8.143 -6.109 1.00 0.00 C ATOM 195 OG1 THR A 12 77.265 -8.202 -7.380 1.00 0.00 O ATOM 196 CG2 THR A 12 77.178 -9.075 -5.134 1.00 0.00 C ATOM 0 H THR A 12 79.345 -6.151 -6.942 1.00 0.00 H new ATOM 0 HA THR A 12 76.807 -6.404 -5.455 1.00 0.00 H new ATOM 0 HB THR A 12 78.937 -8.457 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.878 -8.600 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.216 -10.097 -5.512 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.666 -9.030 -4.160 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.138 -8.764 -5.034 1.00 0.00 H new ATOM 204 N ILE A 13 77.838 -6.145 -3.215 1.00 0.00 N ATOM 205 CA ILE A 13 78.413 -6.038 -1.878 1.00 0.00 C ATOM 206 C ILE A 13 78.033 -7.247 -1.030 1.00 0.00 C ATOM 207 O ILE A 13 76.853 -7.556 -0.866 1.00 0.00 O ATOM 208 CB ILE A 13 77.921 -4.767 -1.181 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.345 -3.794 -2.214 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.088 -4.100 -0.450 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.069 -2.445 -1.547 1.00 0.00 C ATOM 0 H ILE A 13 76.875 -5.818 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 13 79.497 -5.998 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 13 77.143 -5.032 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 13 78.045 -3.667 -3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.425 -4.198 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.737 -3.195 0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.493 -4.787 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.867 -3.842 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.659 -1.753 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.353 -2.580 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.998 -2.040 -1.146 1.00 0.00 H new ATOM 223 N THR A 14 79.040 -7.921 -0.485 1.00 0.00 N ATOM 224 CA THR A 14 78.798 -9.087 0.358 1.00 0.00 C ATOM 225 C THR A 14 78.941 -8.701 1.826 1.00 0.00 C ATOM 226 O THR A 14 79.934 -8.089 2.220 1.00 0.00 O ATOM 227 CB THR A 14 79.795 -10.197 0.018 1.00 0.00 C ATOM 228 OG1 THR A 14 79.678 -10.533 -1.357 1.00 0.00 O ATOM 229 CG2 THR A 14 79.497 -11.429 0.873 1.00 0.00 C ATOM 0 H THR A 14 80.024 -7.683 -0.610 1.00 0.00 H new ATOM 0 HA THR A 14 77.786 -9.450 0.177 1.00 0.00 H new ATOM 0 HB THR A 14 80.808 -9.851 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.057 -11.285 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.207 -12.220 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.587 -11.170 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.484 -11.776 0.670 1.00 0.00 H new ATOM 237 N LEU A 15 77.942 -9.049 2.632 1.00 0.00 N ATOM 238 CA LEU A 15 77.976 -8.710 4.053 1.00 0.00 C ATOM 239 C LEU A 15 77.429 -9.853 4.903 1.00 0.00 C ATOM 240 O LEU A 15 76.681 -10.702 4.418 1.00 0.00 O ATOM 241 CB LEU A 15 77.129 -7.455 4.334 1.00 0.00 C ATOM 242 CG LEU A 15 77.058 -6.538 3.104 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.030 -5.436 3.361 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.427 -5.900 2.854 1.00 0.00 C ATOM 0 H LEU A 15 77.110 -9.558 2.333 1.00 0.00 H new ATOM 0 HA LEU A 15 79.018 -8.524 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.122 -7.752 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.556 -6.907 5.174 1.00 0.00 H new ATOM 0 HG LEU A 15 76.768 -7.123 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.974 -4.781 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.053 -5.885 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.329 -4.856 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.372 -5.250 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.719 -5.313 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.166 -6.682 2.679 1.00 0.00 H new ATOM 256 N GLU A 16 77.787 -9.844 6.184 1.00 0.00 N ATOM 257 CA GLU A 16 77.306 -10.858 7.114 1.00 0.00 C ATOM 258 C GLU A 16 76.084 -10.314 7.840 1.00 0.00 C ATOM 259 O GLU A 16 76.132 -9.214 8.396 1.00 0.00 O ATOM 260 CB GLU A 16 78.399 -11.211 8.126 1.00 0.00 C ATOM 261 CG GLU A 16 79.725 -11.422 7.394 1.00 0.00 C ATOM 262 CD GLU A 16 80.524 -12.529 8.070 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.587 -12.528 9.288 1.00 0.00 O ATOM 264 OE2 GLU A 16 81.061 -13.364 7.360 1.00 0.00 O ATOM 0 H GLU A 16 78.406 -9.148 6.599 1.00 0.00 H new ATOM 0 HA GLU A 16 77.041 -11.761 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.500 -10.412 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.126 -12.114 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.537 -11.682 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.300 -10.496 7.393 1.00 0.00 H new ATOM 271 N VAL A 17 74.982 -11.057 7.809 1.00 0.00 N ATOM 272 CA VAL A 17 73.758 -10.588 8.446 1.00 0.00 C ATOM 273 C VAL A 17 73.024 -11.701 9.195 1.00 0.00 C ATOM 274 O VAL A 17 73.043 -12.864 8.791 1.00 0.00 O ATOM 275 CB VAL A 17 72.827 -10.010 7.380 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.574 -8.979 6.538 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.326 -11.140 6.476 1.00 0.00 C ATOM 0 H VAL A 17 74.911 -11.969 7.358 1.00 0.00 H new ATOM 0 HA VAL A 17 74.040 -9.828 9.175 1.00 0.00 H new ATOM 0 HB VAL A 17 71.981 -9.527 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.903 -8.572 5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.928 -8.172 7.180 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.425 -9.455 6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.662 -10.730 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.175 -11.624 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.784 -11.872 7.075 1.00 0.00 H new ATOM 287 N GLU A 18 72.357 -11.309 10.279 1.00 0.00 N ATOM 288 CA GLU A 18 71.581 -12.240 11.093 1.00 0.00 C ATOM 289 C GLU A 18 70.088 -11.935 10.936 1.00 0.00 C ATOM 290 O GLU A 18 69.715 -10.803 10.660 1.00 0.00 O ATOM 291 CB GLU A 18 71.964 -12.094 12.564 1.00 0.00 C ATOM 292 CG GLU A 18 73.134 -13.023 12.891 1.00 0.00 C ATOM 293 CD GLU A 18 74.315 -12.733 11.971 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.537 -11.573 11.666 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.990 -13.678 11.595 1.00 0.00 O ATOM 0 H GLU A 18 72.339 -10.346 10.615 1.00 0.00 H new ATOM 0 HA GLU A 18 71.791 -13.257 10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.238 -11.061 12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.110 -12.334 13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.433 -12.890 13.931 1.00 0.00 H new ATOM 0 HG3 GLU A 18 72.824 -14.062 12.779 1.00 0.00 H new ATOM 302 N PRO A 19 69.229 -12.901 11.103 1.00 0.00 N ATOM 303 CA PRO A 19 67.762 -12.697 10.962 1.00 0.00 C ATOM 304 C PRO A 19 67.272 -11.340 11.485 1.00 0.00 C ATOM 305 O PRO A 19 66.380 -10.746 10.893 1.00 0.00 O ATOM 306 CB PRO A 19 67.174 -13.842 11.785 1.00 0.00 C ATOM 307 CG PRO A 19 68.184 -14.943 11.719 1.00 0.00 C ATOM 308 CD PRO A 19 69.549 -14.297 11.450 1.00 0.00 C ATOM 0 HA PRO A 19 67.459 -12.695 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.997 -13.534 12.815 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.215 -14.165 11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.202 -15.504 12.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.931 -15.649 10.928 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.194 -14.351 12.327 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.073 -14.799 10.637 1.00 0.00 H new ATOM 316 N SER A 20 67.832 -10.854 12.596 1.00 0.00 N ATOM 317 CA SER A 20 67.381 -9.571 13.161 1.00 0.00 C ATOM 318 C SER A 20 67.977 -8.382 12.402 1.00 0.00 C ATOM 319 O SER A 20 67.883 -7.231 12.829 1.00 0.00 O ATOM 320 CB SER A 20 67.760 -9.483 14.639 1.00 0.00 C ATOM 321 OG SER A 20 69.144 -9.768 14.786 1.00 0.00 O ATOM 0 H SER A 20 68.581 -11.313 13.115 1.00 0.00 H new ATOM 0 HA SER A 20 66.297 -9.528 13.060 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.539 -8.488 15.024 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.168 -10.189 15.221 1.00 0.00 H new ATOM 0 HG SER A 20 69.391 -9.711 15.733 1.00 0.00 H new ATOM 327 N ASP A 21 68.547 -8.695 11.262 1.00 0.00 N ATOM 328 CA ASP A 21 69.142 -7.720 10.351 1.00 0.00 C ATOM 329 C ASP A 21 68.065 -7.073 9.525 1.00 0.00 C ATOM 330 O ASP A 21 68.115 -7.084 8.295 1.00 0.00 O ATOM 331 CB ASP A 21 70.181 -8.326 9.445 1.00 0.00 C ATOM 332 CG ASP A 21 71.461 -8.584 10.228 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.383 -9.255 11.244 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.499 -8.100 9.809 1.00 0.00 O ATOM 0 H ASP A 21 68.616 -9.655 10.926 1.00 0.00 H new ATOM 0 HA ASP A 21 69.647 -6.975 10.966 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.808 -9.259 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.384 -7.656 8.610 1.00 0.00 H new ATOM 339 N THR A 22 67.032 -6.635 10.198 1.00 0.00 N ATOM 340 CA THR A 22 65.863 -6.125 9.508 1.00 0.00 C ATOM 341 C THR A 22 66.203 -4.888 8.705 1.00 0.00 C ATOM 342 O THR A 22 67.071 -4.106 9.067 1.00 0.00 O ATOM 343 CB THR A 22 64.825 -5.695 10.546 1.00 0.00 C ATOM 344 OG1 THR A 22 64.923 -4.291 10.743 1.00 0.00 O ATOM 345 CG2 THR A 22 65.098 -6.408 11.865 1.00 0.00 C ATOM 0 H THR A 22 66.971 -6.619 11.216 1.00 0.00 H new ATOM 0 HA THR A 22 65.492 -6.912 8.851 1.00 0.00 H new ATOM 0 HB THR A 22 63.826 -5.953 10.195 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.260 -4.007 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.358 -6.101 12.604 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.036 -7.486 11.715 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.095 -6.147 12.220 1.00 0.00 H new ATOM 353 N ILE A 23 65.511 -4.780 7.573 1.00 0.00 N ATOM 354 CA ILE A 23 65.698 -3.694 6.619 1.00 0.00 C ATOM 355 C ILE A 23 66.248 -2.439 7.291 1.00 0.00 C ATOM 356 O ILE A 23 67.139 -1.780 6.758 1.00 0.00 O ATOM 357 CB ILE A 23 64.359 -3.387 5.957 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.543 -4.682 5.787 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.572 -2.733 4.592 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.378 -5.772 5.091 1.00 0.00 C ATOM 0 H ILE A 23 64.798 -5.452 7.291 1.00 0.00 H new ATOM 0 HA ILE A 23 66.428 -4.009 5.873 1.00 0.00 H new ATOM 0 HB ILE A 23 63.811 -2.696 6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.213 -5.039 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.646 -4.477 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.605 -2.521 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.126 -1.802 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.137 -3.408 3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.779 -6.676 4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.686 -5.421 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.261 -5.992 5.690 1.00 0.00 H new ATOM 372 N GLU A 24 65.718 -2.119 8.464 1.00 0.00 N ATOM 373 CA GLU A 24 66.175 -0.944 9.196 1.00 0.00 C ATOM 374 C GLU A 24 67.645 -1.108 9.586 1.00 0.00 C ATOM 375 O GLU A 24 68.466 -0.223 9.345 1.00 0.00 O ATOM 376 CB GLU A 24 65.316 -0.748 10.444 1.00 0.00 C ATOM 377 CG GLU A 24 65.869 0.413 11.270 1.00 0.00 C ATOM 378 CD GLU A 24 66.641 -0.121 12.470 1.00 0.00 C ATOM 379 OE1 GLU A 24 67.800 -0.467 12.298 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.065 -0.181 13.543 1.00 0.00 O ATOM 0 H GLU A 24 64.979 -2.650 8.926 1.00 0.00 H new ATOM 0 HA GLU A 24 66.080 -0.065 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.284 -0.545 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.309 -1.661 11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.522 1.030 10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.052 1.051 11.607 1.00 0.00 H new ATOM 387 N ASN A 25 67.969 -2.258 10.172 1.00 0.00 N ATOM 388 CA ASN A 25 69.340 -2.554 10.578 1.00 0.00 C ATOM 389 C ASN A 25 70.221 -2.789 9.354 1.00 0.00 C ATOM 390 O ASN A 25 71.348 -2.301 9.283 1.00 0.00 O ATOM 391 CB ASN A 25 69.363 -3.805 11.462 1.00 0.00 C ATOM 392 CG ASN A 25 68.673 -3.509 12.789 1.00 0.00 C ATOM 393 OD1 ASN A 25 69.341 -3.284 13.800 1.00 0.00 O ATOM 394 ND2 ASN A 25 67.369 -3.472 12.844 1.00 0.00 N ATOM 0 H ASN A 25 67.300 -3.000 10.376 1.00 0.00 H new ATOM 0 HA ASN A 25 69.725 -1.701 11.137 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.861 -4.629 10.956 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.392 -4.119 11.638 1.00 0.00 H new ATOM 0 HD21 ASN A 25 66.902 -3.257 13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 66.818 -3.658 12.006 1.00 0.00 H new ATOM 401 N ALA A 26 69.697 -3.547 8.394 1.00 0.00 N ATOM 402 CA ALA A 26 70.442 -3.852 7.178 1.00 0.00 C ATOM 403 C ALA A 26 70.835 -2.573 6.447 1.00 0.00 C ATOM 404 O ALA A 26 71.954 -2.454 5.946 1.00 0.00 O ATOM 405 CB ALA A 26 69.595 -4.730 6.254 1.00 0.00 C ATOM 0 H ALA A 26 68.765 -3.959 8.435 1.00 0.00 H new ATOM 0 HA ALA A 26 71.350 -4.386 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.158 -4.954 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.345 -5.660 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.678 -4.203 5.991 1.00 0.00 H new ATOM 411 N LYS A 27 69.911 -1.620 6.385 1.00 0.00 N ATOM 412 CA LYS A 27 70.180 -0.357 5.709 1.00 0.00 C ATOM 413 C LYS A 27 71.352 0.361 6.371 1.00 0.00 C ATOM 414 O LYS A 27 72.128 1.048 5.705 1.00 0.00 O ATOM 415 CB LYS A 27 68.938 0.543 5.762 1.00 0.00 C ATOM 416 CG LYS A 27 68.058 0.310 4.529 1.00 0.00 C ATOM 417 CD LYS A 27 66.897 1.307 4.541 1.00 0.00 C ATOM 418 CE LYS A 27 65.568 0.553 4.478 1.00 0.00 C ATOM 419 NZ LYS A 27 65.370 -0.210 5.742 1.00 0.00 N ATOM 0 H LYS A 27 68.978 -1.697 6.790 1.00 0.00 H new ATOM 0 HA LYS A 27 70.431 -0.569 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.369 0.335 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.241 1.589 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.647 0.431 3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.676 -0.711 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.938 1.916 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.981 1.987 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.746 1.254 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.563 -0.127 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.417 -0.626 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.080 -0.968 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.475 0.431 6.554 1.00 0.00 H new ATOM 433 N ALA A 28 71.472 0.202 7.684 1.00 0.00 N ATOM 434 CA ALA A 28 72.551 0.842 8.427 1.00 0.00 C ATOM 435 C ALA A 28 73.903 0.248 8.041 1.00 0.00 C ATOM 436 O ALA A 28 74.887 0.970 7.890 1.00 0.00 O ATOM 437 CB ALA A 28 72.325 0.663 9.931 1.00 0.00 C ATOM 0 H ALA A 28 70.840 -0.361 8.253 1.00 0.00 H new ATOM 0 HA ALA A 28 72.553 1.904 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.135 1.143 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.375 1.118 10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.304 -0.400 10.172 1.00 0.00 H new ATOM 443 N LYS A 29 73.943 -1.071 7.886 1.00 0.00 N ATOM 444 CA LYS A 29 75.182 -1.750 7.521 1.00 0.00 C ATOM 445 C LYS A 29 75.691 -1.253 6.171 1.00 0.00 C ATOM 446 O LYS A 29 76.886 -1.012 5.998 1.00 0.00 O ATOM 447 CB LYS A 29 74.950 -3.262 7.449 1.00 0.00 C ATOM 448 CG LYS A 29 75.293 -3.905 8.795 1.00 0.00 C ATOM 449 CD LYS A 29 75.057 -5.415 8.710 1.00 0.00 C ATOM 450 CE LYS A 29 74.828 -5.981 10.113 1.00 0.00 C ATOM 451 NZ LYS A 29 75.408 -7.351 10.197 1.00 0.00 N ATOM 0 H LYS A 29 73.139 -1.687 8.006 1.00 0.00 H new ATOM 0 HA LYS A 29 75.929 -1.530 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.911 -3.468 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.565 -3.696 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.332 -3.702 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.678 -3.473 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.193 -5.623 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.915 -5.901 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.290 -5.333 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.761 -6.012 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.763 -7.969 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.540 -7.732 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.327 -7.310 10.682 1.00 0.00 H new ATOM 465 N ILE A 30 74.779 -1.104 5.217 1.00 0.00 N ATOM 466 CA ILE A 30 75.150 -0.641 3.886 1.00 0.00 C ATOM 467 C ILE A 30 75.567 0.825 3.921 1.00 0.00 C ATOM 468 O ILE A 30 76.492 1.235 3.220 1.00 0.00 O ATOM 469 CB ILE A 30 73.977 -0.820 2.927 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.914 -2.283 2.488 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.176 0.075 1.700 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.587 -2.543 1.779 1.00 0.00 C ATOM 0 H ILE A 30 73.785 -1.296 5.339 1.00 0.00 H new ATOM 0 HA ILE A 30 75.996 -1.235 3.539 1.00 0.00 H new ATOM 0 HB ILE A 30 73.048 -0.543 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.746 -2.510 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.011 -2.938 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.337 -0.054 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.231 1.117 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 75.102 -0.200 1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.540 -3.586 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.763 -2.332 2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.509 -1.897 0.904 1.00 0.00 H new ATOM 484 N GLN A 31 74.879 1.612 4.744 1.00 0.00 N ATOM 485 CA GLN A 31 75.191 3.032 4.859 1.00 0.00 C ATOM 486 C GLN A 31 76.646 3.229 5.276 1.00 0.00 C ATOM 487 O GLN A 31 77.339 4.097 4.748 1.00 0.00 O ATOM 488 CB GLN A 31 74.267 3.692 5.887 1.00 0.00 C ATOM 489 CG GLN A 31 74.785 5.094 6.212 1.00 0.00 C ATOM 490 CD GLN A 31 75.707 5.042 7.426 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.929 5.077 7.280 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.193 4.962 8.622 1.00 0.00 N ATOM 0 H GLN A 31 74.110 1.294 5.335 1.00 0.00 H new ATOM 0 HA GLN A 31 75.038 3.497 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.252 3.750 5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.225 3.089 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.322 5.500 5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.948 5.763 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.180 4.933 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.804 4.928 9.438 1.00 0.00 H new ATOM 501 N ASP A 32 77.101 2.418 6.221 1.00 0.00 N ATOM 502 CA ASP A 32 78.476 2.515 6.699 1.00 0.00 C ATOM 503 C ASP A 32 79.462 2.080 5.617 1.00 0.00 C ATOM 504 O ASP A 32 80.659 2.353 5.711 1.00 0.00 O ATOM 505 CB ASP A 32 78.660 1.634 7.937 1.00 0.00 C ATOM 506 CG ASP A 32 77.915 2.238 9.122 1.00 0.00 C ATOM 507 OD1 ASP A 32 76.707 2.084 9.178 1.00 0.00 O ATOM 508 OD2 ASP A 32 78.565 2.841 9.961 1.00 0.00 O ATOM 0 H ASP A 32 76.544 1.691 6.670 1.00 0.00 H new ATOM 0 HA ASP A 32 78.674 3.556 6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.288 0.629 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.720 1.540 8.173 1.00 0.00 H new ATOM 513 N LYS A 33 78.958 1.388 4.601 1.00 0.00 N ATOM 514 CA LYS A 33 79.812 0.907 3.520 1.00 0.00 C ATOM 515 C LYS A 33 79.838 1.879 2.341 1.00 0.00 C ATOM 516 O LYS A 33 80.896 2.127 1.760 1.00 0.00 O ATOM 517 CB LYS A 33 79.316 -0.456 3.035 1.00 0.00 C ATOM 518 CG LYS A 33 79.626 -1.522 4.087 1.00 0.00 C ATOM 519 CD LYS A 33 80.790 -2.390 3.606 1.00 0.00 C ATOM 520 CE LYS A 33 81.121 -3.438 4.670 1.00 0.00 C ATOM 521 NZ LYS A 33 82.344 -3.023 5.411 1.00 0.00 N ATOM 0 H LYS A 33 77.971 1.149 4.503 1.00 0.00 H new ATOM 0 HA LYS A 33 80.825 0.823 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.243 -0.418 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.795 -0.713 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.879 -1.049 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.746 -2.140 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.529 -2.879 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.663 -1.768 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.284 -3.548 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.278 -4.410 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.570 -3.735 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.140 -2.939 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.177 -2.104 5.869 1.00 0.00 H new ATOM 535 N GLU A 34 78.673 2.411 1.978 1.00 0.00 N ATOM 536 CA GLU A 34 78.586 3.335 0.847 1.00 0.00 C ATOM 537 C GLU A 34 78.384 4.778 1.308 1.00 0.00 C ATOM 538 O GLU A 34 78.530 5.710 0.520 1.00 0.00 O ATOM 539 CB GLU A 34 77.427 2.924 -0.065 1.00 0.00 C ATOM 540 CG GLU A 34 77.644 1.490 -0.548 1.00 0.00 C ATOM 541 CD GLU A 34 78.778 1.449 -1.568 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.406 0.409 -1.685 1.00 0.00 O ATOM 543 OE2 GLU A 34 79.001 2.457 -2.217 1.00 0.00 O ATOM 0 H GLU A 34 77.785 2.222 2.443 1.00 0.00 H new ATOM 0 HA GLU A 34 79.529 3.285 0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.482 2.999 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.363 3.601 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 77.881 0.845 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.727 1.106 -0.995 1.00 0.00 H new ATOM 550 N GLY A 35 78.047 4.958 2.581 1.00 0.00 N ATOM 551 CA GLY A 35 77.831 6.301 3.111 1.00 0.00 C ATOM 552 C GLY A 35 76.436 6.804 2.756 1.00 0.00 C ATOM 553 O GLY A 35 76.076 7.939 3.065 1.00 0.00 O ATOM 0 H GLY A 35 77.919 4.204 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.956 6.294 4.194 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.581 6.981 2.708 1.00 0.00 H new ATOM 557 N ILE A 36 75.655 5.947 2.104 1.00 0.00 N ATOM 558 CA ILE A 36 74.297 6.306 1.710 1.00 0.00 C ATOM 559 C ILE A 36 73.363 6.232 2.930 1.00 0.00 C ATOM 560 O ILE A 36 73.156 5.148 3.475 1.00 0.00 O ATOM 561 CB ILE A 36 73.815 5.333 0.621 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.822 5.325 -0.532 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.443 5.761 0.083 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.448 4.226 -1.529 1.00 0.00 C ATOM 0 H ILE A 36 75.938 5.004 1.839 1.00 0.00 H new ATOM 0 HA ILE A 36 74.286 7.324 1.320 1.00 0.00 H new ATOM 0 HB ILE A 36 73.730 4.337 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.829 6.295 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.828 5.156 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.119 5.060 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.718 5.766 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.516 6.761 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.165 4.220 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.463 3.259 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.449 4.415 -1.921 1.00 0.00 H new ATOM 576 N PRO A 37 72.793 7.336 3.381 1.00 0.00 N ATOM 577 CA PRO A 37 71.882 7.323 4.562 1.00 0.00 C ATOM 578 C PRO A 37 70.880 6.165 4.495 1.00 0.00 C ATOM 579 O PRO A 37 70.543 5.699 3.406 1.00 0.00 O ATOM 580 CB PRO A 37 71.164 8.670 4.481 1.00 0.00 C ATOM 581 CG PRO A 37 72.110 9.577 3.770 1.00 0.00 C ATOM 582 CD PRO A 37 72.946 8.701 2.835 1.00 0.00 C ATOM 0 HA PRO A 37 72.422 7.181 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.222 8.582 3.940 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.927 9.050 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.568 10.336 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.748 10.103 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.588 8.761 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.991 9.012 2.827 1.00 0.00 H new ATOM 590 N PRO A 38 70.395 5.691 5.620 1.00 0.00 N ATOM 591 CA PRO A 38 69.416 4.566 5.653 1.00 0.00 C ATOM 592 C PRO A 38 68.017 4.994 5.210 1.00 0.00 C ATOM 593 O PRO A 38 67.223 4.172 4.753 1.00 0.00 O ATOM 594 CB PRO A 38 69.409 4.136 7.120 1.00 0.00 C ATOM 595 CG PRO A 38 69.801 5.353 7.888 1.00 0.00 C ATOM 596 CD PRO A 38 70.721 6.166 6.979 1.00 0.00 C ATOM 0 HA PRO A 38 69.696 3.767 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.423 3.781 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.109 3.319 7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.922 5.934 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.311 5.080 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.539 7.236 7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.771 5.997 7.220 1.00 0.00 H new ATOM 604 N ASP A 39 67.720 6.280 5.358 1.00 0.00 N ATOM 605 CA ASP A 39 66.410 6.801 4.980 1.00 0.00 C ATOM 606 C ASP A 39 66.296 6.963 3.466 1.00 0.00 C ATOM 607 O ASP A 39 65.193 6.986 2.919 1.00 0.00 O ATOM 608 CB ASP A 39 66.173 8.155 5.653 1.00 0.00 C ATOM 609 CG ASP A 39 64.705 8.548 5.533 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.319 8.999 4.467 1.00 0.00 O ATOM 611 OD2 ASP A 39 63.990 8.394 6.507 1.00 0.00 O ATOM 0 H ASP A 39 68.363 6.977 5.734 1.00 0.00 H new ATOM 0 HA ASP A 39 65.656 6.086 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.459 8.103 6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.801 8.916 5.189 1.00 0.00 H new ATOM 616 N GLN A 40 67.437 7.079 2.793 1.00 0.00 N ATOM 617 CA GLN A 40 67.444 7.245 1.342 1.00 0.00 C ATOM 618 C GLN A 40 67.809 5.940 0.642 1.00 0.00 C ATOM 619 O GLN A 40 68.046 5.920 -0.566 1.00 0.00 O ATOM 620 CB GLN A 40 68.442 8.336 0.947 1.00 0.00 C ATOM 621 CG GLN A 40 67.680 9.603 0.553 1.00 0.00 C ATOM 622 CD GLN A 40 68.645 10.776 0.428 1.00 0.00 C ATOM 623 OE1 GLN A 40 68.234 11.932 0.540 1.00 0.00 O ATOM 624 NE2 GLN A 40 69.910 10.550 0.201 1.00 0.00 N ATOM 0 H GLN A 40 68.361 7.061 3.224 1.00 0.00 H new ATOM 0 HA GLN A 40 66.441 7.535 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.115 8.547 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.059 7.996 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.162 9.446 -0.393 1.00 0.00 H new ATOM 0 HG3 GLN A 40 66.919 9.826 1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.248 9.592 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.560 11.331 0.116 1.00 0.00 H new ATOM 633 N GLN A 41 67.853 4.850 1.404 1.00 0.00 N ATOM 634 CA GLN A 41 68.191 3.550 0.835 1.00 0.00 C ATOM 635 C GLN A 41 66.935 2.718 0.602 1.00 0.00 C ATOM 636 O GLN A 41 66.010 2.732 1.414 1.00 0.00 O ATOM 637 CB GLN A 41 69.133 2.796 1.775 1.00 0.00 C ATOM 638 CG GLN A 41 70.575 3.230 1.506 1.00 0.00 C ATOM 639 CD GLN A 41 71.495 2.657 2.577 1.00 0.00 C ATOM 640 OE1 GLN A 41 72.681 2.988 2.626 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.014 1.810 3.444 1.00 0.00 N ATOM 0 H GLN A 41 67.661 4.841 2.406 1.00 0.00 H new ATOM 0 HA GLN A 41 68.685 3.716 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.868 2.999 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.031 1.721 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.890 2.886 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.642 4.318 1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.032 1.538 3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.620 1.419 4.166 1.00 0.00 H new ATOM 650 N ARG A 42 66.913 1.994 -0.513 1.00 0.00 N ATOM 651 CA ARG A 42 65.769 1.153 -0.852 1.00 0.00 C ATOM 652 C ARG A 42 66.235 -0.241 -1.256 1.00 0.00 C ATOM 653 O ARG A 42 67.005 -0.395 -2.206 1.00 0.00 O ATOM 654 CB ARG A 42 64.982 1.783 -2.001 1.00 0.00 C ATOM 655 CG ARG A 42 63.530 1.301 -1.953 1.00 0.00 C ATOM 656 CD ARG A 42 62.741 1.951 -3.089 1.00 0.00 C ATOM 657 NE ARG A 42 61.810 0.991 -3.672 1.00 0.00 N ATOM 658 CZ ARG A 42 61.077 1.305 -4.735 1.00 0.00 C ATOM 659 NH1 ARG A 42 60.258 0.427 -5.245 1.00 0.00 N ATOM 660 NH2 ARG A 42 61.177 2.491 -5.269 1.00 0.00 N ATOM 0 H ARG A 42 67.671 1.972 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 42 65.127 1.071 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.018 2.870 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.434 1.514 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.493 0.215 -2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.082 1.556 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.194 2.816 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.426 2.315 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 42 61.720 0.064 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.180 -0.501 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.695 0.668 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.818 3.177 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.614 2.732 -6.085 1.00 0.00 H new ATOM 674 N LEU A 43 65.769 -1.252 -0.530 1.00 0.00 N ATOM 675 CA LEU A 43 66.148 -2.631 -0.821 1.00 0.00 C ATOM 676 C LEU A 43 65.006 -3.374 -1.507 1.00 0.00 C ATOM 677 O LEU A 43 63.906 -3.476 -0.965 1.00 0.00 O ATOM 678 CB LEU A 43 66.522 -3.352 0.474 1.00 0.00 C ATOM 679 CG LEU A 43 67.913 -2.902 0.925 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.998 -2.952 2.453 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.970 -3.831 0.327 1.00 0.00 C ATOM 0 H LEU A 43 65.132 -1.144 0.259 1.00 0.00 H new ATOM 0 HA LEU A 43 67.007 -2.615 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.788 -3.133 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.510 -4.431 0.319 1.00 0.00 H new ATOM 0 HG LEU A 43 68.090 -1.882 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.989 -2.631 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.246 -2.289 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.819 -3.972 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.961 -3.510 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.791 -4.851 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.912 -3.795 -0.761 1.00 0.00 H new ATOM 693 N ILE A 44 65.281 -3.894 -2.701 1.00 0.00 N ATOM 694 CA ILE A 44 64.277 -4.634 -3.461 1.00 0.00 C ATOM 695 C ILE A 44 64.685 -6.099 -3.584 1.00 0.00 C ATOM 696 O ILE A 44 65.857 -6.410 -3.795 1.00 0.00 O ATOM 697 CB ILE A 44 64.120 -4.021 -4.858 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.134 -2.850 -4.796 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.586 -5.075 -5.831 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.654 -1.785 -3.829 1.00 0.00 C ATOM 0 H ILE A 44 66.188 -3.817 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 44 63.324 -4.574 -2.935 1.00 0.00 H new ATOM 0 HB ILE A 44 65.092 -3.667 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.003 -2.420 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.156 -3.203 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.477 -4.634 -6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.284 -5.911 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.616 -5.432 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.949 -0.955 -3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.762 -2.218 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.622 -1.422 -4.174 1.00 0.00 H new ATOM 712 N PHE A 45 63.712 -6.994 -3.452 1.00 0.00 N ATOM 713 CA PHE A 45 63.984 -8.423 -3.550 1.00 0.00 C ATOM 714 C PHE A 45 62.792 -9.155 -4.158 1.00 0.00 C ATOM 715 O PHE A 45 61.646 -8.928 -3.770 1.00 0.00 O ATOM 716 CB PHE A 45 64.282 -8.994 -2.163 1.00 0.00 C ATOM 717 CG PHE A 45 64.474 -10.488 -2.263 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.636 -11.007 -2.846 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.490 -11.356 -1.773 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.815 -12.392 -2.940 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.668 -12.741 -1.867 1.00 0.00 C ATOM 722 CZ PHE A 45 64.831 -13.260 -2.449 1.00 0.00 C ATOM 0 H PHE A 45 62.735 -6.758 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 45 64.851 -8.565 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.178 -8.529 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.463 -8.767 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.395 -10.338 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.594 -10.956 -1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.711 -12.791 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 45 62.908 -13.410 -1.491 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.969 -14.329 -2.519 1.00 0.00 H new ATOM 732 N ALA A 46 63.069 -10.035 -5.116 1.00 0.00 N ATOM 733 CA ALA A 46 62.012 -10.794 -5.772 1.00 0.00 C ATOM 734 C ALA A 46 61.035 -9.853 -6.472 1.00 0.00 C ATOM 735 O ALA A 46 59.847 -10.150 -6.587 1.00 0.00 O ATOM 736 CB ALA A 46 61.261 -11.639 -4.743 1.00 0.00 C ATOM 0 H ALA A 46 64.010 -10.238 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 46 62.466 -11.448 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.473 -12.203 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.954 -12.330 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.820 -10.987 -3.989 1.00 0.00 H new ATOM 742 N GLY A 47 61.546 -8.717 -6.936 1.00 0.00 N ATOM 743 CA GLY A 47 60.710 -7.739 -7.622 1.00 0.00 C ATOM 744 C GLY A 47 59.779 -7.037 -6.641 1.00 0.00 C ATOM 745 O GLY A 47 59.005 -6.159 -7.022 1.00 0.00 O ATOM 0 H GLY A 47 62.527 -8.452 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.340 -7.003 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 60.123 -8.235 -8.395 1.00 0.00 H new ATOM 749 N LYS A 48 59.860 -7.432 -5.373 1.00 0.00 N ATOM 750 CA LYS A 48 59.021 -6.837 -4.340 1.00 0.00 C ATOM 751 C LYS A 48 59.837 -5.878 -3.478 1.00 0.00 C ATOM 752 O LYS A 48 61.019 -6.111 -3.221 1.00 0.00 O ATOM 753 CB LYS A 48 58.422 -7.942 -3.465 1.00 0.00 C ATOM 754 CG LYS A 48 58.032 -7.365 -2.103 1.00 0.00 C ATOM 755 CD LYS A 48 57.018 -8.291 -1.428 1.00 0.00 C ATOM 756 CE LYS A 48 57.589 -9.708 -1.349 1.00 0.00 C ATOM 757 NZ LYS A 48 56.771 -10.522 -0.409 1.00 0.00 N ATOM 0 H LYS A 48 60.495 -8.157 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 48 58.217 -6.277 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.547 -8.372 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 48 59.144 -8.749 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.916 -7.257 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.606 -6.370 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.786 -7.925 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 48 56.084 -8.295 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 48 57.590 -10.167 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 48 58.625 -9.676 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.267 -11.411 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 56.623 -9.990 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 55.851 -10.734 -0.844 1.00 0.00 H new ATOM 771 N GLN A 49 59.200 -4.799 -3.034 1.00 0.00 N ATOM 772 CA GLN A 49 59.876 -3.809 -2.202 1.00 0.00 C ATOM 773 C GLN A 49 59.841 -4.230 -0.735 1.00 0.00 C ATOM 774 O GLN A 49 58.840 -4.757 -0.255 1.00 0.00 O ATOM 775 CB GLN A 49 59.196 -2.449 -2.361 1.00 0.00 C ATOM 776 CG GLN A 49 60.073 -1.357 -1.744 1.00 0.00 C ATOM 777 CD GLN A 49 59.353 -0.015 -1.816 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.137 0.026 -2.006 1.00 0.00 O ATOM 779 NE2 GLN A 49 60.032 1.090 -1.676 1.00 0.00 N ATOM 0 H GLN A 49 58.222 -4.588 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 49 60.915 -3.737 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.026 -2.238 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.220 -2.461 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.300 -1.603 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.024 -1.299 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 49 61.039 1.053 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.556 1.991 -1.724 1.00 0.00 H new ATOM 788 N LEU A 50 60.943 -3.993 -0.029 1.00 0.00 N ATOM 789 CA LEU A 50 61.025 -4.351 1.383 1.00 0.00 C ATOM 790 C LEU A 50 60.664 -3.156 2.262 1.00 0.00 C ATOM 791 O LEU A 50 61.231 -2.073 2.120 1.00 0.00 O ATOM 792 CB LEU A 50 62.441 -4.829 1.723 1.00 0.00 C ATOM 793 CG LEU A 50 62.877 -5.903 0.725 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.280 -6.399 1.087 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.897 -7.077 0.777 1.00 0.00 C ATOM 0 H LEU A 50 61.785 -3.558 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 50 60.315 -5.156 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.135 -3.989 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.466 -5.229 2.737 1.00 0.00 H new ATOM 0 HG LEU A 50 62.887 -5.480 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.590 -7.164 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.981 -5.565 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 50 64.269 -6.821 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.208 -7.842 0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.887 -7.498 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.897 -6.728 0.520 1.00 0.00 H new ATOM 807 N GLU A 51 59.714 -3.362 3.171 1.00 0.00 N ATOM 808 CA GLU A 51 59.281 -2.295 4.069 1.00 0.00 C ATOM 809 C GLU A 51 60.110 -2.303 5.349 1.00 0.00 C ATOM 810 O GLU A 51 60.615 -3.345 5.767 1.00 0.00 O ATOM 811 CB GLU A 51 57.802 -2.473 4.416 1.00 0.00 C ATOM 812 CG GLU A 51 56.960 -2.337 3.146 1.00 0.00 C ATOM 813 CD GLU A 51 55.478 -2.384 3.493 1.00 0.00 C ATOM 814 OE1 GLU A 51 54.719 -2.904 2.693 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.121 -1.898 4.554 1.00 0.00 O ATOM 0 H GLU A 51 59.232 -4.251 3.305 1.00 0.00 H new ATOM 0 HA GLU A 51 59.423 -1.340 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.639 -3.450 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.497 -1.726 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.194 -1.398 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.204 -3.140 2.451 1.00 0.00 H new ATOM 822 N ASP A 52 60.245 -1.134 5.965 1.00 0.00 N ATOM 823 CA ASP A 52 61.015 -1.017 7.193 1.00 0.00 C ATOM 824 C ASP A 52 60.208 -1.536 8.380 1.00 0.00 C ATOM 825 O ASP A 52 59.168 -0.976 8.728 1.00 0.00 O ATOM 826 CB ASP A 52 61.399 0.443 7.430 1.00 0.00 C ATOM 827 CG ASP A 52 60.744 1.334 6.379 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.058 1.169 5.212 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.934 2.164 6.757 1.00 0.00 O ATOM 0 H ASP A 52 59.834 -0.261 5.635 1.00 0.00 H new ATOM 0 HA ASP A 52 61.920 -1.617 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.085 0.752 8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.483 0.554 7.388 1.00 0.00 H new ATOM 834 N GLY A 53 60.694 -2.608 8.998 1.00 0.00 N ATOM 835 CA GLY A 53 60.008 -3.194 10.146 1.00 0.00 C ATOM 836 C GLY A 53 60.059 -4.717 10.094 1.00 0.00 C ATOM 837 O GLY A 53 60.148 -5.379 11.127 1.00 0.00 O ATOM 0 H GLY A 53 61.553 -3.086 8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.470 -2.842 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.970 -2.862 10.162 1.00 0.00 H new ATOM 841 N ARG A 54 60.005 -5.266 8.885 1.00 0.00 N ATOM 842 CA ARG A 54 60.052 -6.714 8.713 1.00 0.00 C ATOM 843 C ARG A 54 61.494 -7.191 8.763 1.00 0.00 C ATOM 844 O ARG A 54 62.407 -6.446 8.417 1.00 0.00 O ATOM 845 CB ARG A 54 59.433 -7.109 7.370 1.00 0.00 C ATOM 846 CG ARG A 54 58.316 -6.127 7.011 1.00 0.00 C ATOM 847 CD ARG A 54 57.310 -6.059 8.161 1.00 0.00 C ATOM 848 NE ARG A 54 55.980 -5.749 7.651 1.00 0.00 N ATOM 849 CZ ARG A 54 55.025 -5.292 8.453 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.847 -5.007 7.968 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.263 -5.128 9.725 1.00 0.00 N ATOM 0 H ARG A 54 59.929 -4.736 8.017 1.00 0.00 H new ATOM 0 HA ARG A 54 59.484 -7.180 9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.196 -7.107 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.036 -8.123 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.733 -5.138 6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.817 -6.445 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.290 -7.010 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.618 -5.299 8.879 1.00 0.00 H new ATOM 0 HE ARG A 54 55.779 -5.886 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.660 -5.135 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.113 -4.656 8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.183 -5.351 10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.529 -4.777 10.340 1.00 0.00 H new ATOM 865 N THR A 55 61.701 -8.429 9.204 1.00 0.00 N ATOM 866 CA THR A 55 63.050 -8.965 9.301 1.00 0.00 C ATOM 867 C THR A 55 63.370 -9.908 8.157 1.00 0.00 C ATOM 868 O THR A 55 62.479 -10.351 7.430 1.00 0.00 O ATOM 869 CB THR A 55 63.242 -9.664 10.642 1.00 0.00 C ATOM 870 OG1 THR A 55 62.423 -10.822 10.705 1.00 0.00 O ATOM 871 CG2 THR A 55 62.863 -8.692 11.750 1.00 0.00 C ATOM 0 H THR A 55 60.962 -9.069 9.495 1.00 0.00 H new ATOM 0 HA THR A 55 63.744 -8.128 9.232 1.00 0.00 H new ATOM 0 HB THR A 55 64.281 -9.971 10.759 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.552 -11.267 11.568 1.00 0.00 H new ATOM 0 HG21 THR A 55 62.994 -9.175 12.718 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.502 -7.810 11.695 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.821 -8.393 11.632 1.00 0.00 H new ATOM 879 N LEU A 56 64.658 -10.200 7.991 1.00 0.00 N ATOM 880 CA LEU A 56 65.089 -11.077 6.918 1.00 0.00 C ATOM 881 C LEU A 56 64.365 -12.414 7.026 1.00 0.00 C ATOM 882 O LEU A 56 64.053 -13.047 6.018 1.00 0.00 O ATOM 883 CB LEU A 56 66.605 -11.328 6.992 1.00 0.00 C ATOM 884 CG LEU A 56 67.399 -10.061 6.636 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.894 -10.370 6.724 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.077 -9.616 5.209 1.00 0.00 C ATOM 0 H LEU A 56 65.410 -9.844 8.581 1.00 0.00 H new ATOM 0 HA LEU A 56 64.853 -10.595 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.873 -11.657 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.876 -12.133 6.309 1.00 0.00 H new ATOM 0 HG LEU A 56 67.128 -9.267 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.466 -9.477 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.141 -10.686 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.142 -11.168 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.646 -8.718 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.343 -10.410 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.011 -9.403 5.126 1.00 0.00 H new ATOM 898 N SER A 57 64.106 -12.839 8.259 1.00 0.00 N ATOM 899 CA SER A 57 63.422 -14.107 8.492 1.00 0.00 C ATOM 900 C SER A 57 61.962 -14.031 8.050 1.00 0.00 C ATOM 901 O SER A 57 61.418 -14.994 7.509 1.00 0.00 O ATOM 902 CB SER A 57 63.485 -14.469 9.976 1.00 0.00 C ATOM 903 OG SER A 57 62.287 -15.135 10.348 1.00 0.00 O ATOM 0 H SER A 57 64.357 -12.329 9.106 1.00 0.00 H new ATOM 0 HA SER A 57 63.925 -14.875 7.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.346 -15.109 10.170 1.00 0.00 H new ATOM 0 HB3 SER A 57 63.616 -13.569 10.576 1.00 0.00 H new ATOM 0 HG SER A 57 62.325 -15.370 11.299 1.00 0.00 H new ATOM 909 N ASP A 58 61.330 -12.886 8.289 1.00 0.00 N ATOM 910 CA ASP A 58 59.931 -12.703 7.916 1.00 0.00 C ATOM 911 C ASP A 58 59.763 -12.707 6.400 1.00 0.00 C ATOM 912 O ASP A 58 58.746 -13.166 5.881 1.00 0.00 O ATOM 913 CB ASP A 58 59.408 -11.382 8.480 1.00 0.00 C ATOM 914 CG ASP A 58 59.385 -11.442 10.003 1.00 0.00 C ATOM 915 OD1 ASP A 58 58.548 -10.776 10.591 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.201 -12.159 10.560 1.00 0.00 O ATOM 0 H ASP A 58 61.760 -12.076 8.736 1.00 0.00 H new ATOM 0 HA ASP A 58 59.360 -13.533 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.041 -10.559 8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.406 -11.185 8.100 1.00 0.00 H new ATOM 921 N TYR A 59 60.765 -12.195 5.694 1.00 0.00 N ATOM 922 CA TYR A 59 60.710 -12.146 4.239 1.00 0.00 C ATOM 923 C TYR A 59 61.226 -13.452 3.647 1.00 0.00 C ATOM 924 O TYR A 59 61.260 -13.626 2.429 1.00 0.00 O ATOM 925 CB TYR A 59 61.547 -10.978 3.719 1.00 0.00 C ATOM 926 CG TYR A 59 60.639 -9.819 3.377 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.718 -9.940 2.330 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.719 -8.625 4.104 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.876 -8.868 2.011 1.00 0.00 C ATOM 930 CE2 TYR A 59 59.877 -7.553 3.784 1.00 0.00 C ATOM 931 CZ TYR A 59 58.955 -7.675 2.738 1.00 0.00 C ATOM 932 OH TYR A 59 58.126 -6.618 2.423 1.00 0.00 O ATOM 0 H TYR A 59 61.618 -11.811 6.102 1.00 0.00 H new ATOM 0 HA TYR A 59 59.673 -12.004 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.274 -10.674 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.110 -11.285 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.657 -10.860 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.430 -8.531 4.911 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.165 -8.962 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 59 59.939 -6.632 4.344 1.00 0.00 H new ATOM 0 HH TYR A 59 58.135 -5.966 3.155 1.00 0.00 H new ATOM 942 N ASN A 60 61.623 -14.368 4.522 1.00 0.00 N ATOM 943 CA ASN A 60 62.134 -15.660 4.086 1.00 0.00 C ATOM 944 C ASN A 60 63.423 -15.488 3.290 1.00 0.00 C ATOM 945 O ASN A 60 63.773 -16.337 2.469 1.00 0.00 O ATOM 946 CB ASN A 60 61.088 -16.368 3.224 1.00 0.00 C ATOM 947 CG ASN A 60 59.692 -16.095 3.774 1.00 0.00 C ATOM 948 OD1 ASN A 60 59.115 -15.041 3.507 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.116 -16.982 4.538 1.00 0.00 N ATOM 0 H ASN A 60 61.601 -14.240 5.534 1.00 0.00 H new ATOM 0 HA ASN A 60 62.347 -16.263 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.157 -16.020 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.280 -17.441 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.186 -16.803 4.915 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.596 -17.855 4.758 1.00 0.00 H new ATOM 956 N ILE A 61 64.126 -14.388 3.539 1.00 0.00 N ATOM 957 CA ILE A 61 65.376 -14.123 2.838 1.00 0.00 C ATOM 958 C ILE A 61 66.454 -15.098 3.294 1.00 0.00 C ATOM 959 O ILE A 61 66.536 -15.441 4.473 1.00 0.00 O ATOM 960 CB ILE A 61 65.820 -12.678 3.088 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.072 -11.768 2.102 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.332 -12.554 2.858 1.00 0.00 C ATOM 963 CD1 ILE A 61 64.989 -10.333 2.635 1.00 0.00 C ATOM 0 H ILE A 61 63.855 -13.673 4.214 1.00 0.00 H new ATOM 0 HA ILE A 61 65.218 -14.260 1.768 1.00 0.00 H new ATOM 0 HB ILE A 61 65.596 -12.388 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.581 -11.773 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.067 -12.156 1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.644 -11.525 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.860 -13.217 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.568 -12.831 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.455 -9.709 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.458 -10.329 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.995 -9.940 2.779 1.00 0.00 H new ATOM 975 N GLN A 62 67.273 -15.550 2.350 1.00 0.00 N ATOM 976 CA GLN A 62 68.331 -16.499 2.666 1.00 0.00 C ATOM 977 C GLN A 62 69.622 -15.769 3.017 1.00 0.00 C ATOM 978 O GLN A 62 69.836 -14.630 2.605 1.00 0.00 O ATOM 979 CB GLN A 62 68.574 -17.428 1.475 1.00 0.00 C ATOM 980 CG GLN A 62 67.695 -18.673 1.611 1.00 0.00 C ATOM 981 CD GLN A 62 67.462 -19.298 0.240 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.184 -19.002 -0.711 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.485 -20.151 0.082 1.00 0.00 N ATOM 0 H GLN A 62 67.225 -15.277 1.369 1.00 0.00 H new ATOM 0 HA GLN A 62 68.017 -17.088 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.347 -16.909 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.625 -17.715 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 62 68.173 -19.395 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.741 -18.407 2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 62 65.888 -20.395 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.319 -20.573 -0.832 1.00 0.00 H new ATOM 992 N LYS A 63 70.474 -16.437 3.785 1.00 0.00 N ATOM 993 CA LYS A 63 71.742 -15.853 4.198 1.00 0.00 C ATOM 994 C LYS A 63 72.697 -15.742 3.024 1.00 0.00 C ATOM 995 O LYS A 63 73.805 -15.244 3.169 1.00 0.00 O ATOM 996 CB LYS A 63 72.382 -16.716 5.283 1.00 0.00 C ATOM 997 CG LYS A 63 72.435 -18.171 4.814 1.00 0.00 C ATOM 998 CD LYS A 63 71.401 -18.995 5.583 1.00 0.00 C ATOM 999 CE LYS A 63 71.883 -19.215 7.018 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.762 -18.952 7.965 1.00 0.00 N ATOM 0 H LYS A 63 70.310 -17.381 4.133 1.00 0.00 H new ATOM 0 HA LYS A 63 71.543 -14.854 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.388 -16.357 5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.809 -16.641 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.236 -18.226 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.433 -18.579 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.440 -18.480 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.246 -19.955 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.243 -20.237 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.721 -18.553 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 71.089 -19.102 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.438 -17.970 7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 69.975 -19.601 7.761 1.00 0.00 H new ATOM 1014 N GLU A 64 72.254 -16.215 1.870 1.00 0.00 N ATOM 1015 CA GLU A 64 73.057 -16.175 0.663 1.00 0.00 C ATOM 1016 C GLU A 64 72.286 -15.506 -0.474 1.00 0.00 C ATOM 1017 O GLU A 64 72.825 -15.289 -1.558 1.00 0.00 O ATOM 1018 CB GLU A 64 73.460 -17.593 0.264 1.00 0.00 C ATOM 1019 CG GLU A 64 74.892 -17.859 0.733 1.00 0.00 C ATOM 1020 CD GLU A 64 75.244 -19.331 0.540 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.846 -20.128 1.373 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.919 -19.636 -0.429 1.00 0.00 O ATOM 0 H GLU A 64 71.333 -16.635 1.746 1.00 0.00 H new ATOM 0 HA GLU A 64 73.955 -15.589 0.859 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.778 -18.317 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.390 -17.713 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.588 -17.235 0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 64 74.995 -17.588 1.784 1.00 0.00 H new ATOM 1029 N SER A 65 71.016 -15.206 -0.221 1.00 0.00 N ATOM 1030 CA SER A 65 70.162 -14.586 -1.230 1.00 0.00 C ATOM 1031 C SER A 65 70.795 -13.318 -1.797 1.00 0.00 C ATOM 1032 O SER A 65 71.665 -12.709 -1.174 1.00 0.00 O ATOM 1033 CB SER A 65 68.804 -14.244 -0.621 1.00 0.00 C ATOM 1034 OG SER A 65 67.807 -15.082 -1.196 1.00 0.00 O ATOM 0 H SER A 65 70.555 -15.381 0.672 1.00 0.00 H new ATOM 0 HA SER A 65 70.037 -15.300 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.832 -14.382 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.564 -13.196 -0.803 1.00 0.00 H new ATOM 0 HG SER A 65 67.077 -14.529 -1.545 1.00 0.00 H new ATOM 1040 N THR A 66 70.338 -12.926 -2.984 1.00 0.00 N ATOM 1041 CA THR A 66 70.844 -11.725 -3.642 1.00 0.00 C ATOM 1042 C THR A 66 69.777 -10.634 -3.633 1.00 0.00 C ATOM 1043 O THR A 66 68.684 -10.821 -4.168 1.00 0.00 O ATOM 1044 CB THR A 66 71.236 -12.047 -5.087 1.00 0.00 C ATOM 1045 OG1 THR A 66 72.108 -13.167 -5.102 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.939 -10.840 -5.708 1.00 0.00 C ATOM 0 H THR A 66 69.618 -13.423 -3.509 1.00 0.00 H new ATOM 0 HA THR A 66 71.722 -11.372 -3.101 1.00 0.00 H new ATOM 0 HB THR A 66 70.340 -12.278 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.358 -13.375 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.217 -11.070 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.267 -9.982 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.835 -10.605 -5.133 1.00 0.00 H new ATOM 1054 N LEU A 67 70.094 -9.497 -3.017 1.00 0.00 N ATOM 1055 CA LEU A 67 69.144 -8.390 -2.940 1.00 0.00 C ATOM 1056 C LEU A 67 69.515 -7.283 -3.917 1.00 0.00 C ATOM 1057 O LEU A 67 70.665 -7.174 -4.345 1.00 0.00 O ATOM 1058 CB LEU A 67 69.117 -7.815 -1.522 1.00 0.00 C ATOM 1059 CG LEU A 67 68.981 -8.948 -0.505 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.264 -9.049 0.319 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.805 -8.659 0.428 1.00 0.00 C ATOM 0 H LEU A 67 70.992 -9.319 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 67 68.159 -8.778 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.030 -7.251 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.285 -7.119 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 67 68.808 -9.887 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 67 70.168 -9.857 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 67 71.106 -9.254 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.435 -8.109 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.709 -9.467 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.979 -7.720 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.888 -8.584 -0.156 1.00 0.00 H new ATOM 1073 N HIS A 68 68.531 -6.456 -4.258 1.00 0.00 N ATOM 1074 CA HIS A 68 68.752 -5.345 -5.176 1.00 0.00 C ATOM 1075 C HIS A 68 68.746 -4.025 -4.413 1.00 0.00 C ATOM 1076 O HIS A 68 67.771 -3.688 -3.740 1.00 0.00 O ATOM 1077 CB HIS A 68 67.662 -5.328 -6.248 1.00 0.00 C ATOM 1078 CG HIS A 68 67.883 -6.472 -7.198 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.446 -7.758 -6.921 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.499 -6.540 -8.424 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.803 -8.539 -7.957 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.447 -7.846 -8.901 1.00 0.00 N ATOM 0 H HIS A 68 67.574 -6.535 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 68 69.723 -5.473 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.679 -5.409 -5.785 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.682 -4.382 -6.789 1.00 0.00 H new ATOM 0 HD2 HIS A 68 68.954 -5.707 -8.939 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.595 -9.597 -8.018 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.820 -8.199 -9.782 1.00 0.00 H new ATOM 1090 N LEU A 69 69.845 -3.286 -4.512 1.00 0.00 N ATOM 1091 CA LEU A 69 69.962 -2.009 -3.819 1.00 0.00 C ATOM 1092 C LEU A 69 69.640 -0.854 -4.764 1.00 0.00 C ATOM 1093 O LEU A 69 70.371 -0.601 -5.720 1.00 0.00 O ATOM 1094 CB LEU A 69 71.384 -1.859 -3.263 1.00 0.00 C ATOM 1095 CG LEU A 69 71.613 -0.434 -2.746 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.484 -0.042 -1.790 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.950 -0.373 -2.001 1.00 0.00 C ATOM 0 H LEU A 69 70.663 -3.547 -5.062 1.00 0.00 H new ATOM 0 HA LEU A 69 69.247 -1.985 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.542 -2.574 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.111 -2.091 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 69 71.628 0.256 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.651 0.971 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.530 -0.086 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.465 -0.732 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 69 73.115 0.639 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.930 -1.067 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.757 -0.648 -2.679 1.00 0.00 H new ATOM 1109 N VAL A 70 68.543 -0.158 -4.480 1.00 0.00 N ATOM 1110 CA VAL A 70 68.123 0.975 -5.300 1.00 0.00 C ATOM 1111 C VAL A 70 68.104 2.254 -4.469 1.00 0.00 C ATOM 1112 O VAL A 70 67.787 2.227 -3.280 1.00 0.00 O ATOM 1113 CB VAL A 70 66.728 0.717 -5.875 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.571 1.476 -7.193 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.549 -0.782 -6.128 1.00 0.00 C ATOM 0 H VAL A 70 67.930 -0.358 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 70 68.834 1.093 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 70 65.975 1.059 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.578 1.292 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.699 2.544 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.325 1.134 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.556 -0.966 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.303 -1.124 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.661 -1.325 -5.190 1.00 0.00 H new ATOM 1125 N LEU A 71 68.449 3.371 -5.100 1.00 0.00 N ATOM 1126 CA LEU A 71 68.473 4.651 -4.405 1.00 0.00 C ATOM 1127 C LEU A 71 67.208 5.452 -4.703 1.00 0.00 C ATOM 1128 O LEU A 71 66.752 5.511 -5.845 1.00 0.00 O ATOM 1129 CB LEU A 71 69.700 5.455 -4.840 1.00 0.00 C ATOM 1130 CG LEU A 71 70.726 5.469 -3.707 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.038 6.072 -4.213 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.197 6.311 -2.541 1.00 0.00 C ATOM 0 H LEU A 71 68.714 3.416 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 71 68.521 4.459 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 71 70.138 5.015 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.409 6.474 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 71 70.900 4.448 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.769 6.082 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.419 5.473 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.862 7.092 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 71 70.931 6.319 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.020 7.332 -2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.263 5.882 -2.177 1.00 0.00 H new ATOM 1144 N ARG A 72 66.650 6.067 -3.665 1.00 0.00 N ATOM 1145 CA ARG A 72 65.440 6.863 -3.821 1.00 0.00 C ATOM 1146 C ARG A 72 65.791 8.317 -4.120 1.00 0.00 C ATOM 1147 O ARG A 72 66.531 8.953 -3.369 1.00 0.00 O ATOM 1148 CB ARG A 72 64.603 6.792 -2.544 1.00 0.00 C ATOM 1149 CG ARG A 72 63.131 6.588 -2.908 1.00 0.00 C ATOM 1150 CD ARG A 72 62.259 6.908 -1.696 1.00 0.00 C ATOM 1151 NE ARG A 72 60.959 6.258 -1.824 1.00 0.00 N ATOM 1152 CZ ARG A 72 60.772 5.005 -1.422 1.00 0.00 C ATOM 1153 NH1 ARG A 72 59.600 4.446 -1.554 1.00 0.00 N ATOM 1154 NH2 ARG A 72 61.759 4.334 -0.895 1.00 0.00 N ATOM 0 H ARG A 72 67.014 6.029 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 72 64.866 6.460 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 72 64.950 5.972 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.722 7.709 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 72 62.860 7.231 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 72 62.964 5.560 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.753 6.572 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 72 62.127 7.986 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 72 60.179 6.775 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.828 4.971 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 72 59.456 3.484 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 72 62.675 4.771 -0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 72 61.615 3.372 -0.587 1.00 0.00 H new ATOM 1168 N LEU A 73 65.255 8.837 -5.219 1.00 0.00 N ATOM 1169 CA LEU A 73 65.521 10.218 -5.604 1.00 0.00 C ATOM 1170 C LEU A 73 64.645 10.624 -6.785 1.00 0.00 C ATOM 1171 O LEU A 73 64.855 10.171 -7.910 1.00 0.00 O ATOM 1172 CB LEU A 73 66.994 10.381 -5.978 1.00 0.00 C ATOM 1173 CG LEU A 73 67.614 11.500 -5.140 1.00 0.00 C ATOM 1174 CD1 LEU A 73 69.097 11.636 -5.489 1.00 0.00 C ATOM 1175 CD2 LEU A 73 66.899 12.818 -5.441 1.00 0.00 C ATOM 0 H LEU A 73 64.639 8.329 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 73 65.289 10.863 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.529 9.446 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.087 10.613 -7.039 1.00 0.00 H new ATOM 0 HG LEU A 73 67.509 11.262 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.540 12.433 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.608 10.697 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.201 11.874 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 73 67.340 13.616 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 73 67.005 13.056 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.842 12.723 -5.194 1.00 0.00 H new ATOM 1187 N ARG A 74 63.664 11.481 -6.520 1.00 0.00 N ATOM 1188 CA ARG A 74 62.762 11.944 -7.568 1.00 0.00 C ATOM 1189 C ARG A 74 63.132 13.356 -8.007 1.00 0.00 C ATOM 1190 O ARG A 74 63.227 14.267 -7.185 1.00 0.00 O ATOM 1191 CB ARG A 74 61.319 11.927 -7.060 1.00 0.00 C ATOM 1192 CG ARG A 74 61.068 10.637 -6.276 1.00 0.00 C ATOM 1193 CD ARG A 74 59.563 10.373 -6.196 1.00 0.00 C ATOM 1194 NE ARG A 74 58.841 11.626 -6.007 1.00 0.00 N ATOM 1195 CZ ARG A 74 57.585 11.634 -5.572 1.00 0.00 C ATOM 1196 NH1 ARG A 74 56.959 12.768 -5.410 1.00 0.00 N ATOM 1197 NH2 ARG A 74 56.978 10.511 -5.307 1.00 0.00 N ATOM 0 H ARG A 74 63.474 11.867 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 74 62.854 11.274 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.136 12.793 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.626 11.996 -7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.569 9.800 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.487 10.721 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.223 9.883 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.349 9.694 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 74 59.307 12.510 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.434 13.647 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 74 55.995 12.775 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 74 57.467 9.625 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 74 56.014 10.519 -4.973 1.00 0.00 H new ATOM 1211 N GLY A 75 63.341 13.531 -9.307 1.00 0.00 N ATOM 1212 CA GLY A 75 63.700 14.839 -9.844 1.00 0.00 C ATOM 1213 C GLY A 75 64.519 14.697 -11.123 1.00 0.00 C ATOM 1214 O GLY A 75 65.628 14.162 -11.105 1.00 0.00 O ATOM 0 H GLY A 75 63.269 12.790 -10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.796 15.413 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 75 64.271 15.397 -9.102 1.00 0.00 H new ATOM 1218 N GLY A 76 63.965 15.178 -12.230 1.00 0.00 N ATOM 1219 CA GLY A 76 64.654 15.100 -13.513 1.00 0.00 C ATOM 1220 C GLY A 76 63.989 16.006 -14.544 1.00 0.00 C ATOM 1221 O GLY A 76 64.458 17.120 -14.715 1.00 0.00 O ATOM 1222 OXT GLY A 76 63.021 15.573 -15.148 1.00 0.00 O ATOM 0 H GLY A 76 63.048 15.623 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.697 15.389 -13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.649 14.070 -13.871 1.00 0.00 H new TER 1226 GLY A 76