USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0175 K(o=-0.018,f=-1.4) USER MOD Single : A 15 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.39) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0474) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= 0.36 (180deg=-0.111) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.724 F(o=-1.8,f=-0.72) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.221 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 36 ASN :FLIP amide:sc= -3.21! C(o=-4.8!,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000895) USER MOD Single : A 42 CYS SG : rot 170:sc= -0.479 USER MOD Single : A 43 MET CE :methyl -166:sc= -0.0268 (180deg=-0.458) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0252) USER MOD Single : A 46 THR OG1 : rot 105:sc= 0.201 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0239 (180deg=-0.243) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -119:sc= 0.267 USER MOD Single : A 62 GLN : amide:sc= 2.02 K(o=2,f=-7.3!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -29:sc= 1.25 USER MOD Single : A 68 SER OG : rot 180:sc= -0.269 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -82:sc= 1.08 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -164:sc=-0.00368 (180deg=-0.085) USER MOD Single : A 82 THR OG1 : rot 12:sc= 0.56 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.764 K(o=0.76,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.550 -4.800 -16.281 1.00 0.00 N ATOM 28 CA GLU A 3 -6.280 -5.423 -15.927 1.00 0.00 C ATOM 29 C GLU A 3 -5.645 -4.698 -14.735 1.00 0.00 C ATOM 30 O GLU A 3 -6.307 -3.953 -14.015 1.00 0.00 O ATOM 31 CB GLU A 3 -5.395 -5.505 -17.184 1.00 0.00 C ATOM 32 CG GLU A 3 -4.985 -4.140 -17.753 1.00 0.00 C ATOM 33 CD GLU A 3 -4.168 -4.303 -19.031 1.00 0.00 C ATOM 34 OE1 GLU A 3 -2.992 -4.705 -18.902 1.00 0.00 O ATOM 35 OE2 GLU A 3 -4.743 -4.039 -20.109 1.00 0.00 O ATOM 0 HA GLU A 3 -6.423 -6.448 -15.586 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.495 -6.072 -16.945 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.928 -6.062 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.875 -3.546 -17.960 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.402 -3.593 -17.012 1.00 0.00 H new ATOM 42 N TRP A 4 -4.354 -4.936 -14.512 1.00 0.00 N ATOM 43 CA TRP A 4 -3.605 -4.267 -13.465 1.00 0.00 C ATOM 44 C TRP A 4 -3.463 -2.785 -13.805 1.00 0.00 C ATOM 45 O TRP A 4 -3.645 -2.393 -14.958 1.00 0.00 O ATOM 46 CB TRP A 4 -2.226 -4.908 -13.332 1.00 0.00 C ATOM 47 CG TRP A 4 -2.182 -6.332 -12.870 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.787 -7.404 -13.437 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.443 -6.850 -11.730 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.429 -8.547 -12.750 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.587 -8.265 -11.693 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.663 -6.251 -10.723 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.957 -9.055 -10.718 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.021 -7.030 -9.747 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.163 -8.430 -9.742 1.00 0.00 C ATOM 0 H TRP A 4 -3.803 -5.600 -15.056 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.135 -4.366 -12.518 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.730 -4.850 -14.301 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.639 -4.308 -12.637 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.446 -7.370 -14.292 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.748 -9.485 -12.994 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.557 -5.176 -10.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.081 -10.128 -10.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.587 -6.551 -8.994 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.337 -9.022 -8.990 1.00 0.00 H new ATOM 66 N GLU A 5 -3.121 -1.957 -12.816 1.00 0.00 N ATOM 67 CA GLU A 5 -2.987 -0.525 -13.042 1.00 0.00 C ATOM 68 C GLU A 5 -2.043 0.103 -12.029 1.00 0.00 C ATOM 69 O GLU A 5 -1.704 -0.494 -11.009 1.00 0.00 O ATOM 70 CB GLU A 5 -4.379 0.123 -13.043 1.00 0.00 C ATOM 71 CG GLU A 5 -4.431 1.579 -13.530 1.00 0.00 C ATOM 72 CD GLU A 5 -5.872 1.999 -13.816 1.00 0.00 C ATOM 73 OE1 GLU A 5 -6.635 2.097 -12.830 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.183 2.194 -15.013 1.00 0.00 O ATOM 0 H GLU A 5 -2.934 -2.255 -11.859 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.537 -0.348 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.039 -0.476 -13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.780 0.083 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.998 2.236 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.829 1.688 -14.432 1.00 0.00 H new ATOM 81 N ILE A 6 -1.603 1.314 -12.348 1.00 0.00 N ATOM 82 CA ILE A 6 -0.687 2.094 -11.533 1.00 0.00 C ATOM 83 C ILE A 6 -1.386 2.448 -10.220 1.00 0.00 C ATOM 84 O ILE A 6 -2.555 2.831 -10.222 1.00 0.00 O ATOM 85 CB ILE A 6 -0.245 3.366 -12.284 1.00 0.00 C ATOM 86 CG1 ILE A 6 0.318 3.029 -13.680 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.796 4.147 -11.464 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.637 4.274 -14.514 1.00 0.00 C ATOM 0 H ILE A 6 -1.883 1.792 -13.205 1.00 0.00 H new ATOM 0 HA ILE A 6 0.210 1.512 -11.321 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.127 3.992 -12.419 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.224 2.433 -13.566 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.403 2.413 -14.218 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.095 5.041 -12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.363 4.436 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.670 3.518 -11.292 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.029 3.971 -15.485 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.272 4.859 -14.656 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.380 4.879 -13.995 1.00 0.00 H new ATOM 100 N ILE A 7 -0.662 2.378 -9.102 1.00 0.00 N ATOM 101 CA ILE A 7 -1.162 2.766 -7.786 1.00 0.00 C ATOM 102 C ILE A 7 -1.212 4.304 -7.661 1.00 0.00 C ATOM 103 O ILE A 7 -0.717 4.876 -6.694 1.00 0.00 O ATOM 104 CB ILE A 7 -0.282 2.058 -6.730 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.954 1.915 -5.359 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.099 2.711 -6.594 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.248 0.922 -4.432 1.00 0.00 C ATOM 0 H ILE A 7 0.302 2.045 -9.087 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.192 2.447 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.145 1.047 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.986 2.891 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.987 1.596 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.680 2.179 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.618 2.667 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.981 3.752 -6.293 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.778 0.872 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.239 -0.065 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.777 1.251 -4.259 1.00 0.00 H new ATOM 119 N ASP A 8 -1.798 4.997 -8.645 1.00 0.00 N ATOM 120 CA ASP A 8 -1.786 6.458 -8.740 1.00 0.00 C ATOM 121 C ASP A 8 -2.771 7.059 -7.733 1.00 0.00 C ATOM 122 O ASP A 8 -3.817 7.588 -8.099 1.00 0.00 O ATOM 123 CB ASP A 8 -2.098 6.888 -10.179 1.00 0.00 C ATOM 124 CG ASP A 8 -2.062 8.406 -10.348 1.00 0.00 C ATOM 125 OD1 ASP A 8 -1.225 9.042 -9.672 1.00 0.00 O ATOM 126 OD2 ASP A 8 -2.862 8.901 -11.171 1.00 0.00 O ATOM 0 H ASP A 8 -2.302 4.548 -9.410 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.794 6.835 -8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.377 6.431 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.083 6.516 -10.462 1.00 0.00 H new ATOM 131 N ILE A 9 -2.431 6.919 -6.454 1.00 0.00 N ATOM 132 CA ILE A 9 -3.268 7.170 -5.292 1.00 0.00 C ATOM 133 C ILE A 9 -2.412 7.841 -4.205 1.00 0.00 C ATOM 134 O ILE A 9 -1.196 7.948 -4.346 1.00 0.00 O ATOM 135 CB ILE A 9 -3.853 5.817 -4.820 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.597 5.027 -5.915 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.818 5.985 -3.644 1.00 0.00 C ATOM 138 CD1 ILE A 9 -5.902 5.696 -6.358 1.00 0.00 C ATOM 0 H ILE A 9 -1.498 6.605 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.096 7.840 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.970 5.251 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.943 4.912 -6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.816 4.025 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.203 5.009 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.292 6.438 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.647 6.627 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.377 5.091 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.573 5.787 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.686 6.687 -6.756 1.00 0.00 H new ATOM 150 N GLY A 10 -3.057 8.296 -3.124 1.00 0.00 N ATOM 151 CA GLY A 10 -2.445 8.934 -1.967 1.00 0.00 C ATOM 152 C GLY A 10 -2.987 8.283 -0.695 1.00 0.00 C ATOM 153 O GLY A 10 -2.355 7.367 -0.177 1.00 0.00 O ATOM 0 H GLY A 10 -4.070 8.222 -3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.361 8.831 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.664 10.002 -1.966 1.00 0.00 H new ATOM 157 N PRO A 11 -4.173 8.682 -0.204 1.00 0.00 N ATOM 158 CA PRO A 11 -4.707 8.220 1.072 1.00 0.00 C ATOM 159 C PRO A 11 -4.810 6.694 1.163 1.00 0.00 C ATOM 160 O PRO A 11 -4.447 6.113 2.183 1.00 0.00 O ATOM 161 CB PRO A 11 -6.064 8.914 1.240 1.00 0.00 C ATOM 162 CG PRO A 11 -6.442 9.347 -0.177 1.00 0.00 C ATOM 163 CD PRO A 11 -5.084 9.633 -0.819 1.00 0.00 C ATOM 0 HA PRO A 11 -4.031 8.481 1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.808 8.238 1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.993 9.769 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.983 8.564 -0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.081 10.230 -0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.122 9.501 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.768 10.660 -0.634 1.00 0.00 H new ATOM 171 N PHE A 12 -5.298 6.029 0.112 1.00 0.00 N ATOM 172 CA PHE A 12 -5.448 4.577 0.134 1.00 0.00 C ATOM 173 C PHE A 12 -4.076 3.904 0.247 1.00 0.00 C ATOM 174 O PHE A 12 -3.833 3.130 1.168 1.00 0.00 O ATOM 175 CB PHE A 12 -6.239 4.096 -1.092 1.00 0.00 C ATOM 176 CG PHE A 12 -7.175 2.930 -0.841 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.712 1.612 -0.995 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.537 3.162 -0.565 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.594 0.533 -0.815 1.00 0.00 C ATOM 180 CE2 PHE A 12 -9.430 2.082 -0.448 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.953 0.765 -0.562 1.00 0.00 C ATOM 0 H PHE A 12 -5.593 6.472 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.023 4.289 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.822 4.932 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.532 3.812 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.679 1.429 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.897 4.173 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.223 -0.480 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.480 2.264 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.633 -0.067 -0.455 1.00 0.00 H new ATOM 191 N THR A 13 -3.153 4.212 -0.673 1.00 0.00 N ATOM 192 CA THR A 13 -1.822 3.614 -0.642 1.00 0.00 C ATOM 193 C THR A 13 -1.123 3.953 0.677 1.00 0.00 C ATOM 194 O THR A 13 -0.428 3.111 1.242 1.00 0.00 O ATOM 195 CB THR A 13 -1.007 3.967 -1.899 1.00 0.00 C ATOM 196 OG1 THR A 13 0.183 3.209 -1.941 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.666 5.451 -2.044 1.00 0.00 C ATOM 0 H THR A 13 -3.306 4.867 -1.440 1.00 0.00 H new ATOM 0 HA THR A 13 -1.916 2.528 -0.672 1.00 0.00 H new ATOM 0 HB THR A 13 -1.657 3.720 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.691 3.442 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.091 5.605 -2.957 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.586 6.033 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.077 5.774 -1.186 1.00 0.00 H new ATOM 205 N GLN A 14 -1.336 5.165 1.197 1.00 0.00 N ATOM 206 CA GLN A 14 -0.866 5.524 2.520 1.00 0.00 C ATOM 207 C GLN A 14 -1.443 4.592 3.590 1.00 0.00 C ATOM 208 O GLN A 14 -0.698 4.084 4.423 1.00 0.00 O ATOM 209 CB GLN A 14 -1.227 6.981 2.777 1.00 0.00 C ATOM 210 CG GLN A 14 -0.225 7.930 2.109 1.00 0.00 C ATOM 211 CD GLN A 14 -0.721 9.371 2.147 1.00 0.00 C ATOM 212 OE1 GLN A 14 -1.158 9.916 1.138 1.00 0.00 O ATOM 213 NE2 GLN A 14 -0.665 10.002 3.316 1.00 0.00 N ATOM 0 H GLN A 14 -1.834 5.911 0.712 1.00 0.00 H new ATOM 0 HA GLN A 14 0.217 5.408 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.229 7.182 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.249 7.169 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.738 7.861 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.065 7.625 1.075 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.296 9.522 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.991 10.966 3.391 1.00 0.00 H new ATOM 222 N ASN A 15 -2.756 4.355 3.577 1.00 0.00 N ATOM 223 CA ASN A 15 -3.411 3.421 4.494 1.00 0.00 C ATOM 224 C ASN A 15 -2.710 2.061 4.499 1.00 0.00 C ATOM 225 O ASN A 15 -2.297 1.581 5.547 1.00 0.00 O ATOM 226 CB ASN A 15 -4.893 3.250 4.145 1.00 0.00 C ATOM 227 CG ASN A 15 -5.625 2.511 5.260 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.521 1.296 5.380 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.365 3.238 6.093 1.00 0.00 N ATOM 0 H ASN A 15 -3.398 4.808 2.927 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.339 3.847 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.350 4.227 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.991 2.698 3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.866 2.785 6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.432 4.248 5.967 1.00 0.00 H new ATOM 236 N LEU A 16 -2.555 1.455 3.320 1.00 0.00 N ATOM 237 CA LEU A 16 -1.802 0.217 3.118 1.00 0.00 C ATOM 238 C LEU A 16 -0.392 0.327 3.694 1.00 0.00 C ATOM 239 O LEU A 16 0.060 -0.576 4.396 1.00 0.00 O ATOM 240 CB LEU A 16 -1.684 -0.128 1.625 1.00 0.00 C ATOM 241 CG LEU A 16 -2.939 -0.759 1.011 1.00 0.00 C ATOM 242 CD1 LEU A 16 -3.972 0.254 0.542 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.544 -1.597 -0.205 1.00 0.00 C ATOM 0 H LEU A 16 -2.960 1.821 2.458 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.352 -0.569 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.445 0.781 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.847 -0.812 1.490 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.388 -1.356 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.830 -0.270 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.297 0.860 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.531 0.898 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.436 -2.046 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.059 -0.959 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.855 -2.384 0.103 1.00 0.00 H new ATOM 255 N ALA A 17 0.319 1.404 3.362 1.00 0.00 N ATOM 256 CA ALA A 17 1.681 1.613 3.817 1.00 0.00 C ATOM 257 C ALA A 17 1.737 1.578 5.346 1.00 0.00 C ATOM 258 O ALA A 17 2.563 0.872 5.923 1.00 0.00 O ATOM 259 CB ALA A 17 2.197 2.932 3.248 1.00 0.00 C ATOM 0 H ALA A 17 -0.039 2.153 2.769 1.00 0.00 H new ATOM 0 HA ALA A 17 2.328 0.813 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.220 3.098 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.175 2.892 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.564 3.750 3.594 1.00 0.00 H new ATOM 265 N LYS A 18 0.826 2.310 5.994 1.00 0.00 N ATOM 266 CA LYS A 18 0.609 2.230 7.426 1.00 0.00 C ATOM 267 C LYS A 18 0.379 0.773 7.823 1.00 0.00 C ATOM 268 O LYS A 18 1.148 0.238 8.611 1.00 0.00 O ATOM 269 CB LYS A 18 -0.574 3.126 7.844 1.00 0.00 C ATOM 270 CG LYS A 18 -0.145 4.332 8.686 1.00 0.00 C ATOM 271 CD LYS A 18 0.358 3.881 10.065 1.00 0.00 C ATOM 272 CE LYS A 18 0.574 5.070 11.009 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.704 5.651 11.463 1.00 0.00 N ATOM 0 H LYS A 18 0.216 2.980 5.526 1.00 0.00 H new ATOM 0 HA LYS A 18 1.492 2.595 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.089 3.479 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.290 2.531 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.641 4.882 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.986 5.015 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.362 3.192 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.294 3.334 9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.153 4.746 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.161 5.835 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.521 6.348 12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.177 6.118 10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.316 4.896 11.834 1.00 0.00 H new ATOM 287 N PHE A 19 -0.660 0.140 7.273 1.00 0.00 N ATOM 288 CA PHE A 19 -1.088 -1.223 7.565 1.00 0.00 C ATOM 289 C PHE A 19 0.111 -2.175 7.587 1.00 0.00 C ATOM 290 O PHE A 19 0.240 -2.968 8.515 1.00 0.00 O ATOM 291 CB PHE A 19 -2.156 -1.644 6.543 1.00 0.00 C ATOM 292 CG PHE A 19 -3.052 -2.831 6.875 1.00 0.00 C ATOM 293 CD1 PHE A 19 -2.663 -4.125 6.480 1.00 0.00 C ATOM 294 CD2 PHE A 19 -4.404 -2.605 7.202 1.00 0.00 C ATOM 295 CE1 PHE A 19 -3.644 -5.071 6.120 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.374 -3.579 6.895 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.004 -4.723 6.167 1.00 0.00 C ATOM 0 H PHE A 19 -1.254 0.591 6.577 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.534 -1.269 8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.800 -0.783 6.362 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.648 -1.865 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.617 -4.392 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.696 -1.686 7.688 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.350 -6.062 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.396 -3.448 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.746 -5.319 5.657 1.00 0.00 H new ATOM 307 N ALA A 20 1.017 -2.081 6.607 1.00 0.00 N ATOM 308 CA ALA A 20 2.224 -2.910 6.607 1.00 0.00 C ATOM 309 C ALA A 20 2.951 -2.889 7.950 1.00 0.00 C ATOM 310 O ALA A 20 3.342 -3.938 8.454 1.00 0.00 O ATOM 311 CB ALA A 20 3.219 -2.513 5.516 1.00 0.00 C ATOM 0 H ALA A 20 0.938 -1.446 5.813 1.00 0.00 H new ATOM 0 HA ALA A 20 1.861 -3.918 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.093 -3.163 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.747 -2.615 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.528 -1.478 5.664 1.00 0.00 H new ATOM 317 N VAL A 21 3.158 -1.686 8.492 1.00 0.00 N ATOM 318 CA VAL A 21 3.835 -1.483 9.759 1.00 0.00 C ATOM 319 C VAL A 21 2.813 -1.688 10.872 1.00 0.00 C ATOM 320 O VAL A 21 2.890 -2.657 11.617 1.00 0.00 O ATOM 321 CB VAL A 21 4.468 -0.075 9.797 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.127 0.207 11.155 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.543 0.070 8.714 1.00 0.00 C ATOM 0 H VAL A 21 2.853 -0.819 8.051 1.00 0.00 H new ATOM 0 HA VAL A 21 4.648 -2.196 9.892 1.00 0.00 H new ATOM 0 HB VAL A 21 3.660 0.636 9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.563 1.206 11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.377 0.144 11.943 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.910 -0.529 11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.974 1.070 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.326 -0.671 8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.094 -0.086 7.733 1.00 0.00 H new ATOM 333 N ASP A 22 1.861 -0.761 10.976 1.00 0.00 N ATOM 334 CA ASP A 22 0.855 -0.683 12.016 1.00 0.00 C ATOM 335 C ASP A 22 0.130 -2.006 12.212 1.00 0.00 C ATOM 336 O ASP A 22 0.051 -2.477 13.342 1.00 0.00 O ATOM 337 CB ASP A 22 -0.138 0.438 11.693 1.00 0.00 C ATOM 338 CG ASP A 22 -1.267 0.496 12.716 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.046 1.136 13.766 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.328 -0.096 12.427 1.00 0.00 O ATOM 0 H ASP A 22 1.773 -0.006 10.296 1.00 0.00 H new ATOM 0 HA ASP A 22 1.361 -0.458 12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.385 1.394 11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.555 0.281 10.698 1.00 0.00 H new ATOM 345 N GLU A 23 -0.422 -2.606 11.150 1.00 0.00 N ATOM 346 CA GLU A 23 -1.216 -3.805 11.348 1.00 0.00 C ATOM 347 C GLU A 23 -0.345 -4.935 11.899 1.00 0.00 C ATOM 348 O GLU A 23 -0.732 -5.581 12.875 1.00 0.00 O ATOM 349 CB GLU A 23 -1.941 -4.187 10.054 1.00 0.00 C ATOM 350 CG GLU A 23 -3.408 -4.518 10.321 1.00 0.00 C ATOM 351 CD GLU A 23 -3.598 -5.669 11.304 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.922 -6.702 11.113 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.417 -5.487 12.232 1.00 0.00 O ATOM 0 H GLU A 23 -0.334 -2.290 10.184 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.988 -3.610 12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.875 -3.366 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.449 -5.046 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.908 -3.631 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.894 -4.771 9.378 1.00 0.00 H new ATOM 360 N GLU A 24 0.847 -5.142 11.317 1.00 0.00 N ATOM 361 CA GLU A 24 1.798 -6.083 11.896 1.00 0.00 C ATOM 362 C GLU A 24 2.008 -5.734 13.363 1.00 0.00 C ATOM 363 O GLU A 24 1.870 -6.598 14.219 1.00 0.00 O ATOM 364 CB GLU A 24 3.137 -6.143 11.136 1.00 0.00 C ATOM 365 CG GLU A 24 4.112 -7.074 11.874 1.00 0.00 C ATOM 366 CD GLU A 24 4.870 -6.403 13.025 1.00 0.00 C ATOM 367 OE1 GLU A 24 5.418 -5.303 12.789 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.856 -6.985 14.129 1.00 0.00 O ATOM 0 H GLU A 24 1.164 -4.679 10.465 1.00 0.00 H new ATOM 0 HA GLU A 24 1.374 -7.083 11.808 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.974 -6.503 10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.565 -5.144 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.557 -7.926 12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.834 -7.467 11.158 1.00 0.00 H new ATOM 375 N ASN A 25 2.349 -4.479 13.647 1.00 0.00 N ATOM 376 CA ASN A 25 2.663 -4.020 14.990 1.00 0.00 C ATOM 377 C ASN A 25 1.553 -4.396 15.959 1.00 0.00 C ATOM 378 O ASN A 25 1.822 -4.848 17.070 1.00 0.00 O ATOM 379 CB ASN A 25 2.860 -2.498 14.999 1.00 0.00 C ATOM 380 CG ASN A 25 3.929 -2.087 16.001 1.00 0.00 C ATOM 381 OD1 ASN A 25 3.641 -1.467 17.019 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.185 -2.413 15.704 1.00 0.00 N ATOM 0 H ASN A 25 2.415 -3.747 12.940 1.00 0.00 H new ATOM 0 HA ASN A 25 3.587 -4.504 15.307 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.143 -2.159 14.002 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.918 -2.008 15.247 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.943 -2.146 16.332 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.389 -2.929 14.848 1.00 0.00 H new ATOM 389 N LYS A 26 0.305 -4.186 15.536 1.00 0.00 N ATOM 390 CA LYS A 26 -0.832 -4.378 16.420 1.00 0.00 C ATOM 391 C LYS A 26 -1.146 -5.871 16.612 1.00 0.00 C ATOM 392 O LYS A 26 -1.492 -6.282 17.718 1.00 0.00 O ATOM 393 CB LYS A 26 -1.998 -3.466 15.987 1.00 0.00 C ATOM 394 CG LYS A 26 -3.201 -4.118 15.292 1.00 0.00 C ATOM 395 CD LYS A 26 -4.069 -4.882 16.306 1.00 0.00 C ATOM 396 CE LYS A 26 -5.562 -4.818 15.961 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.866 -5.523 14.703 1.00 0.00 N ATOM 0 H LYS A 26 0.063 -3.885 14.592 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.597 -4.050 17.433 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.364 -2.948 16.874 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.597 -2.706 15.317 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.800 -3.353 14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.853 -4.801 14.517 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.751 -5.924 16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.911 -4.467 17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.141 -5.258 16.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.871 -3.776 15.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.603 -5.004 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.006 -5.579 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.203 -6.483 14.916 1.00 0.00 H new ATOM 411 N ILE A 27 -1.046 -6.686 15.553 1.00 0.00 N ATOM 412 CA ILE A 27 -1.408 -8.107 15.601 1.00 0.00 C ATOM 413 C ILE A 27 -0.246 -9.003 16.060 1.00 0.00 C ATOM 414 O ILE A 27 -0.438 -9.889 16.890 1.00 0.00 O ATOM 415 CB ILE A 27 -1.997 -8.534 14.239 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.463 -8.087 14.083 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.904 -10.042 13.998 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.471 -8.792 15.007 1.00 0.00 C ATOM 0 H ILE A 27 -0.712 -6.378 14.640 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.176 -8.242 16.363 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.385 -8.031 13.490 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.519 -7.014 14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.767 -8.252 13.049 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.334 -10.282 13.025 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.859 -10.350 14.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.454 -10.570 14.778 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.472 -8.404 14.817 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.454 -9.864 14.813 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.202 -8.607 16.047 1.00 0.00 H new ATOM 430 N GLY A 28 0.946 -8.808 15.496 1.00 0.00 N ATOM 431 CA GLY A 28 2.172 -9.500 15.875 1.00 0.00 C ATOM 432 C GLY A 28 2.103 -11.010 15.635 1.00 0.00 C ATOM 433 O GLY A 28 2.405 -11.798 16.527 1.00 0.00 O ATOM 0 H GLY A 28 1.086 -8.141 14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.007 -9.085 15.310 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.377 -9.314 16.929 1.00 0.00 H new ATOM 437 N GLN A 29 1.720 -11.430 14.424 1.00 0.00 N ATOM 438 CA GLN A 29 1.710 -12.841 14.033 1.00 0.00 C ATOM 439 C GLN A 29 3.039 -13.275 13.415 1.00 0.00 C ATOM 440 O GLN A 29 3.605 -14.288 13.814 1.00 0.00 O ATOM 441 CB GLN A 29 0.532 -13.133 13.089 1.00 0.00 C ATOM 442 CG GLN A 29 -0.578 -13.950 13.777 1.00 0.00 C ATOM 443 CD GLN A 29 -1.408 -13.168 14.796 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.790 -12.616 15.840 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 -2.619 -13.057 14.639 1.00 0.00 N flip ATOM 0 H GLN A 29 1.408 -10.798 13.687 1.00 0.00 H new ATOM 0 HA GLN A 29 1.577 -13.432 14.939 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.117 -12.192 12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.894 -13.678 12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.246 -14.346 13.012 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.124 -14.805 14.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.070 -13.488 13.832 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.175 -12.534 15.315 1.00 0.00 H new ATOM 454 N TYR A 30 3.492 -12.545 12.393 1.00 0.00 N ATOM 455 CA TYR A 30 4.622 -12.953 11.566 1.00 0.00 C ATOM 456 C TYR A 30 5.915 -12.521 12.250 1.00 0.00 C ATOM 457 O TYR A 30 6.620 -13.350 12.818 1.00 0.00 O ATOM 458 CB TYR A 30 4.477 -12.479 10.102 1.00 0.00 C ATOM 459 CG TYR A 30 3.607 -11.258 9.838 1.00 0.00 C ATOM 460 CD1 TYR A 30 2.211 -11.343 10.013 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.161 -10.089 9.283 1.00 0.00 C ATOM 462 CE1 TYR A 30 1.407 -10.204 9.846 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.337 -8.986 9.007 1.00 0.00 C ATOM 464 CZ TYR A 30 1.974 -9.024 9.341 1.00 0.00 C ATOM 465 OH TYR A 30 1.207 -7.911 9.185 1.00 0.00 O ATOM 0 H TYR A 30 3.082 -11.652 12.118 1.00 0.00 H new ATOM 0 HA TYR A 30 4.648 -14.039 11.481 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.475 -12.270 9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.077 -13.308 9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.758 -12.287 10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.219 -10.041 9.070 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.359 -10.236 10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.753 -8.107 8.537 1.00 0.00 H new ATOM 0 HH TYR A 30 1.449 -7.461 8.349 1.00 0.00 H new ATOM 475 N GLY A 31 6.226 -11.224 12.225 1.00 0.00 N ATOM 476 CA GLY A 31 7.320 -10.701 13.035 1.00 0.00 C ATOM 477 C GLY A 31 7.709 -9.324 12.541 1.00 0.00 C ATOM 478 O GLY A 31 7.354 -8.320 13.146 1.00 0.00 O ATOM 0 H GLY A 31 5.741 -10.527 11.660 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.019 -10.651 14.081 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.177 -11.372 12.982 1.00 0.00 H new ATOM 482 N ARG A 32 8.378 -9.313 11.388 1.00 0.00 N ATOM 483 CA ARG A 32 8.661 -8.122 10.603 1.00 0.00 C ATOM 484 C ARG A 32 9.784 -7.262 11.201 1.00 0.00 C ATOM 485 O ARG A 32 10.184 -7.419 12.352 1.00 0.00 O ATOM 486 CB ARG A 32 7.362 -7.335 10.403 1.00 0.00 C ATOM 487 CG ARG A 32 7.336 -6.407 9.193 1.00 0.00 C ATOM 488 CD ARG A 32 6.177 -5.408 9.341 1.00 0.00 C ATOM 489 NE ARG A 32 6.206 -4.345 8.333 1.00 0.00 N ATOM 490 CZ ARG A 32 7.143 -3.394 8.225 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.124 -3.286 9.124 1.00 0.00 N ATOM 492 NH2 ARG A 32 7.093 -2.535 7.203 1.00 0.00 N ATOM 0 H ARG A 32 8.748 -10.164 10.965 1.00 0.00 H new ATOM 0 HA ARG A 32 9.040 -8.433 9.630 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.539 -8.044 10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.176 -6.742 11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.283 -5.873 9.110 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.216 -6.987 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.231 -5.944 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.215 -4.961 10.334 1.00 0.00 H new ATOM 0 HE ARG A 32 5.445 -4.328 7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.169 -3.934 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.829 -2.555 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.345 -2.607 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.802 -1.808 7.113 1.00 0.00 H new ATOM 506 N LEU A 33 10.321 -6.381 10.357 1.00 0.00 N ATOM 507 CA LEU A 33 11.406 -5.455 10.613 1.00 0.00 C ATOM 508 C LEU A 33 10.813 -4.066 10.912 1.00 0.00 C ATOM 509 O LEU A 33 9.673 -3.981 11.371 1.00 0.00 O ATOM 510 CB LEU A 33 12.308 -5.426 9.371 1.00 0.00 C ATOM 511 CG LEU A 33 12.549 -6.761 8.633 1.00 0.00 C ATOM 512 CD1 LEU A 33 13.111 -7.838 9.566 1.00 0.00 C ATOM 513 CD2 LEU A 33 11.357 -7.337 7.850 1.00 0.00 C ATOM 0 H LEU A 33 9.975 -6.296 9.401 1.00 0.00 H new ATOM 0 HA LEU A 33 12.000 -5.762 11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.878 -4.721 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.277 -5.027 9.669 1.00 0.00 H new ATOM 0 HG LEU A 33 13.285 -6.483 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.265 -8.760 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.062 -7.501 9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.406 -8.020 10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.651 -8.274 7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.527 -7.520 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.047 -6.626 7.085 1.00 0.00 H new ATOM 525 N THR A 34 11.540 -2.977 10.619 1.00 0.00 N ATOM 526 CA THR A 34 11.106 -1.624 10.996 1.00 0.00 C ATOM 527 C THR A 34 10.461 -0.877 9.820 1.00 0.00 C ATOM 528 O THR A 34 10.138 -1.475 8.793 1.00 0.00 O ATOM 529 CB THR A 34 12.246 -0.866 11.704 1.00 0.00 C ATOM 530 OG1 THR A 34 11.758 0.353 12.232 1.00 0.00 O ATOM 531 CG2 THR A 34 13.452 -0.578 10.808 1.00 0.00 C ATOM 0 H THR A 34 12.430 -3.007 10.122 1.00 0.00 H new ATOM 0 HA THR A 34 10.304 -1.700 11.730 1.00 0.00 H new ATOM 0 HB THR A 34 12.596 -1.525 12.498 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.487 0.830 12.682 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.210 -0.042 11.379 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.868 -1.518 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.138 0.032 9.961 1.00 0.00 H new ATOM 539 N PHE A 35 10.222 0.425 9.979 1.00 0.00 N ATOM 540 CA PHE A 35 9.567 1.294 9.009 1.00 0.00 C ATOM 541 C PHE A 35 10.572 1.787 7.961 1.00 0.00 C ATOM 542 O PHE A 35 10.836 2.978 7.844 1.00 0.00 O ATOM 543 CB PHE A 35 8.816 2.431 9.725 1.00 0.00 C ATOM 544 CG PHE A 35 9.604 3.220 10.761 1.00 0.00 C ATOM 545 CD1 PHE A 35 9.663 2.772 12.095 1.00 0.00 C ATOM 546 CD2 PHE A 35 10.200 4.449 10.416 1.00 0.00 C ATOM 547 CE1 PHE A 35 10.352 3.523 13.063 1.00 0.00 C ATOM 548 CE2 PHE A 35 10.884 5.202 11.386 1.00 0.00 C ATOM 549 CZ PHE A 35 10.963 4.738 12.709 1.00 0.00 C ATOM 0 H PHE A 35 10.493 0.922 10.827 1.00 0.00 H new ATOM 0 HA PHE A 35 8.813 0.727 8.463 1.00 0.00 H new ATOM 0 HB2 PHE A 35 8.452 3.128 8.970 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.940 2.006 10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 35 9.177 1.849 12.375 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.131 4.814 9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.412 3.166 14.080 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.349 6.138 11.114 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.493 5.314 13.453 1.00 0.00 H new ATOM 559 N ASN A 36 11.140 0.849 7.200 1.00 0.00 N ATOM 560 CA ASN A 36 12.284 1.096 6.322 1.00 0.00 C ATOM 561 C ASN A 36 11.891 1.894 5.070 1.00 0.00 C ATOM 562 O ASN A 36 12.039 3.113 5.060 1.00 0.00 O ATOM 563 CB ASN A 36 13.070 -0.200 6.018 1.00 0.00 C ATOM 564 CG ASN A 36 12.656 -1.358 6.921 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.528 -1.983 6.593 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.285 -1.654 7.931 1.00 0.00 N flip ATOM 0 H ASN A 36 10.813 -0.117 7.177 1.00 0.00 H new ATOM 0 HA ASN A 36 12.980 1.737 6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.913 -0.481 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.137 -0.012 6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.147 -1.158 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.946 -2.396 8.544 1.00 0.00 H new ATOM 573 N LYS A 37 11.415 1.240 4.000 1.00 0.00 N ATOM 574 CA LYS A 37 11.005 1.924 2.776 1.00 0.00 C ATOM 575 C LYS A 37 10.236 0.959 1.866 1.00 0.00 C ATOM 576 O LYS A 37 9.938 -0.169 2.252 1.00 0.00 O ATOM 577 CB LYS A 37 12.224 2.567 2.070 1.00 0.00 C ATOM 578 CG LYS A 37 12.034 4.083 1.896 1.00 0.00 C ATOM 579 CD LYS A 37 13.315 4.735 1.356 1.00 0.00 C ATOM 580 CE LYS A 37 13.178 6.260 1.238 1.00 0.00 C ATOM 581 NZ LYS A 37 12.227 6.653 0.183 1.00 0.00 N ATOM 0 H LYS A 37 11.306 0.227 3.964 1.00 0.00 H new ATOM 0 HA LYS A 37 10.328 2.740 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.126 2.376 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.369 2.102 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.207 4.274 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.767 4.533 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.149 4.496 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.551 4.315 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.848 6.668 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.154 6.696 1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.179 7.690 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.545 6.272 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.285 6.274 0.407 1.00 0.00 H new ATOM 595 N VAL A 38 9.912 1.411 0.657 1.00 0.00 N ATOM 596 CA VAL A 38 9.200 0.698 -0.391 1.00 0.00 C ATOM 597 C VAL A 38 9.813 1.160 -1.715 1.00 0.00 C ATOM 598 O VAL A 38 10.342 2.272 -1.755 1.00 0.00 O ATOM 599 CB VAL A 38 7.708 1.052 -0.256 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.425 2.550 -0.453 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.799 0.254 -1.196 1.00 0.00 C ATOM 0 H VAL A 38 10.161 2.357 0.366 1.00 0.00 H new ATOM 0 HA VAL A 38 9.284 -0.387 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 38 7.471 0.775 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.356 2.736 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.970 3.125 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.748 2.853 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.763 0.557 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.086 0.447 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.900 -0.810 -0.984 1.00 0.00 H new ATOM 611 N ILE A 39 9.782 0.333 -2.768 1.00 0.00 N ATOM 612 CA ILE A 39 10.356 0.717 -4.061 1.00 0.00 C ATOM 613 C ILE A 39 9.746 2.024 -4.576 1.00 0.00 C ATOM 614 O ILE A 39 10.463 3.009 -4.727 1.00 0.00 O ATOM 615 CB ILE A 39 10.261 -0.404 -5.118 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.009 -1.290 -4.989 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.527 -1.267 -5.052 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.661 -1.980 -6.313 1.00 0.00 C ATOM 0 H ILE A 39 9.368 -0.599 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 39 11.419 0.885 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 39 10.173 0.088 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.175 -2.044 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.165 -0.682 -4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.466 -2.061 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.401 -0.647 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.616 -1.707 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.772 -2.596 -6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.469 -1.226 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.494 -2.609 -6.625 1.00 0.00 H new ATOM 630 N ARG A 40 8.433 2.017 -4.833 1.00 0.00 N ATOM 631 CA ARG A 40 7.672 3.124 -5.392 1.00 0.00 C ATOM 632 C ARG A 40 8.017 3.316 -6.880 1.00 0.00 C ATOM 633 O ARG A 40 9.161 3.630 -7.203 1.00 0.00 O ATOM 634 CB ARG A 40 7.852 4.396 -4.552 1.00 0.00 C ATOM 635 CG ARG A 40 6.743 5.422 -4.817 1.00 0.00 C ATOM 636 CD ARG A 40 6.684 6.424 -3.662 1.00 0.00 C ATOM 637 NE ARG A 40 6.131 5.791 -2.454 1.00 0.00 N ATOM 638 CZ ARG A 40 6.289 6.229 -1.197 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.020 7.319 -0.941 1.00 0.00 N ATOM 640 NH2 ARG A 40 5.704 5.564 -0.195 1.00 0.00 N ATOM 0 H ARG A 40 7.852 1.200 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 40 6.609 2.887 -5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.858 4.134 -3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.821 4.844 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.933 5.944 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.783 4.916 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.683 6.806 -3.454 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.069 7.278 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 40 5.578 4.944 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.464 7.826 -1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.133 7.643 0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.145 4.734 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.817 5.887 0.766 1.00 0.00 H new ATOM 654 N PRO A 41 7.070 3.144 -7.817 1.00 0.00 N ATOM 655 CA PRO A 41 5.661 2.859 -7.595 1.00 0.00 C ATOM 656 C PRO A 41 5.427 1.433 -7.073 1.00 0.00 C ATOM 657 O PRO A 41 6.358 0.663 -6.844 1.00 0.00 O ATOM 658 CB PRO A 41 4.984 3.107 -8.951 1.00 0.00 C ATOM 659 CG PRO A 41 6.090 2.803 -9.959 1.00 0.00 C ATOM 660 CD PRO A 41 7.342 3.298 -9.237 1.00 0.00 C ATOM 0 HA PRO A 41 5.241 3.497 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.120 2.457 -9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.629 4.134 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.148 1.739 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.933 3.325 -10.903 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.217 2.720 -9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.550 4.339 -9.484 1.00 0.00 H new ATOM 668 N CYS A 42 4.148 1.124 -6.867 1.00 0.00 N ATOM 669 CA CYS A 42 3.569 -0.167 -6.507 1.00 0.00 C ATOM 670 C CYS A 42 2.400 -0.351 -7.486 1.00 0.00 C ATOM 671 O CYS A 42 2.183 0.550 -8.301 1.00 0.00 O ATOM 672 CB CYS A 42 3.153 -0.147 -5.026 1.00 0.00 C ATOM 673 SG CYS A 42 4.619 -0.410 -3.972 1.00 0.00 S ATOM 0 H CYS A 42 3.425 1.838 -6.956 1.00 0.00 H new ATOM 0 HA CYS A 42 4.256 -1.009 -6.592 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.685 0.807 -4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.412 -0.924 -4.836 1.00 0.00 H new ATOM 0 HG CYS A 42 4.308 -0.181 -2.731 1.00 0.00 H new ATOM 679 N MET A 43 1.663 -1.469 -7.477 1.00 0.00 N ATOM 680 CA MET A 43 0.721 -1.743 -8.564 1.00 0.00 C ATOM 681 C MET A 43 -0.582 -2.375 -8.067 1.00 0.00 C ATOM 682 O MET A 43 -0.574 -3.235 -7.191 1.00 0.00 O ATOM 683 CB MET A 43 1.435 -2.582 -9.638 1.00 0.00 C ATOM 684 CG MET A 43 0.914 -2.294 -11.055 1.00 0.00 C ATOM 685 SD MET A 43 2.034 -2.767 -12.401 1.00 0.00 S ATOM 686 CE MET A 43 2.085 -4.561 -12.228 1.00 0.00 C ATOM 0 H MET A 43 1.699 -2.181 -6.748 1.00 0.00 H new ATOM 0 HA MET A 43 0.408 -0.801 -9.015 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.505 -2.379 -9.600 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.303 -3.641 -9.414 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.032 -2.818 -11.190 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.703 -1.228 -11.137 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.912 -4.960 -12.815 1.00 0.00 H new ATOM 0 HE2 MET A 43 2.226 -4.822 -11.179 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.148 -4.988 -12.585 1.00 0.00 H new ATOM 696 N LYS A 44 -1.711 -1.928 -8.620 1.00 0.00 N ATOM 697 CA LYS A 44 -3.048 -2.402 -8.298 1.00 0.00 C ATOM 698 C LYS A 44 -3.419 -3.580 -9.196 1.00 0.00 C ATOM 699 O LYS A 44 -2.992 -3.644 -10.350 1.00 0.00 O ATOM 700 CB LYS A 44 -4.057 -1.256 -8.465 1.00 0.00 C ATOM 701 CG LYS A 44 -5.471 -1.677 -8.030 1.00 0.00 C ATOM 702 CD LYS A 44 -6.484 -0.533 -8.085 1.00 0.00 C ATOM 703 CE LYS A 44 -6.640 0.027 -9.505 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.778 0.956 -9.598 1.00 0.00 N ATOM 0 H LYS A 44 -1.713 -1.197 -9.332 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.070 -2.741 -7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.735 -0.398 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.076 -0.937 -9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.815 -2.489 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.430 -2.069 -7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.451 -0.887 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.167 0.265 -7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.724 0.542 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.782 -0.794 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.854 1.315 -10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.655 0.458 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.630 1.752 -8.945 1.00 0.00 H new ATOM 718 N LYS A 45 -4.248 -4.478 -8.656 1.00 0.00 N ATOM 719 CA LYS A 45 -4.774 -5.665 -9.304 1.00 0.00 C ATOM 720 C LYS A 45 -6.238 -5.809 -8.877 1.00 0.00 C ATOM 721 O LYS A 45 -6.607 -5.413 -7.774 1.00 0.00 O ATOM 722 CB LYS A 45 -3.919 -6.847 -8.835 1.00 0.00 C ATOM 723 CG LYS A 45 -4.421 -8.249 -9.228 1.00 0.00 C ATOM 724 CD LYS A 45 -4.798 -9.074 -7.993 1.00 0.00 C ATOM 725 CE LYS A 45 -4.693 -10.585 -8.229 1.00 0.00 C ATOM 726 NZ LYS A 45 -3.287 -11.033 -8.264 1.00 0.00 N ATOM 0 H LYS A 45 -4.585 -4.383 -7.698 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.737 -5.615 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.912 -6.720 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.841 -6.803 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.287 -8.157 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.647 -8.769 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.148 -8.795 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.817 -8.828 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.225 -11.115 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.181 -10.842 -9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.255 -12.072 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.817 -10.637 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.797 -10.706 -7.407 1.00 0.00 H new ATOM 740 N THR A 46 -7.085 -6.366 -9.739 1.00 0.00 N ATOM 741 CA THR A 46 -8.442 -6.746 -9.396 1.00 0.00 C ATOM 742 C THR A 46 -8.601 -8.214 -9.778 1.00 0.00 C ATOM 743 O THR A 46 -8.455 -8.550 -10.952 1.00 0.00 O ATOM 744 CB THR A 46 -9.407 -5.771 -10.085 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.718 -5.965 -9.602 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.402 -5.812 -11.615 1.00 0.00 C ATOM 0 H THR A 46 -6.839 -6.567 -10.708 1.00 0.00 H new ATOM 0 HA THR A 46 -8.672 -6.672 -8.333 1.00 0.00 H new ATOM 0 HB THR A 46 -9.038 -4.779 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.950 -5.240 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.118 -5.086 -12.001 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.405 -5.569 -11.982 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.680 -6.810 -11.953 1.00 0.00 H new ATOM 754 N ILE A 47 -8.787 -9.114 -8.802 1.00 0.00 N ATOM 755 CA ILE A 47 -8.920 -10.526 -9.142 1.00 0.00 C ATOM 756 C ILE A 47 -10.341 -10.838 -9.619 1.00 0.00 C ATOM 757 O ILE A 47 -11.339 -10.347 -9.088 1.00 0.00 O ATOM 758 CB ILE A 47 -8.448 -11.451 -8.016 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.704 -12.922 -8.408 1.00 0.00 C ATOM 760 CG2 ILE A 47 -9.109 -11.066 -6.701 1.00 0.00 C ATOM 761 CD1 ILE A 47 -8.047 -13.927 -7.458 1.00 0.00 C ATOM 0 H ILE A 47 -8.846 -8.896 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.248 -10.730 -9.976 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.374 -11.338 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.779 -13.103 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.332 -13.091 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.763 -11.733 -5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.847 -10.038 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.191 -11.151 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.267 -14.941 -7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.968 -13.772 -7.454 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.438 -13.784 -6.450 1.00 0.00 H new ATOM 773 N TYR A 48 -10.402 -11.688 -10.640 1.00 0.00 N ATOM 774 CA TYR A 48 -11.601 -11.995 -11.392 1.00 0.00 C ATOM 775 C TYR A 48 -12.366 -13.168 -10.794 1.00 0.00 C ATOM 776 O TYR A 48 -11.957 -13.789 -9.814 1.00 0.00 O ATOM 777 CB TYR A 48 -11.183 -12.327 -12.832 1.00 0.00 C ATOM 778 CG TYR A 48 -10.371 -11.270 -13.541 1.00 0.00 C ATOM 779 CD1 TYR A 48 -10.720 -9.918 -13.398 1.00 0.00 C ATOM 780 CD2 TYR A 48 -9.312 -11.640 -14.391 1.00 0.00 C ATOM 781 CE1 TYR A 48 -9.987 -8.929 -14.072 1.00 0.00 C ATOM 782 CE2 TYR A 48 -8.573 -10.650 -15.057 1.00 0.00 C ATOM 783 CZ TYR A 48 -8.897 -9.295 -14.881 1.00 0.00 C ATOM 784 OH TYR A 48 -8.149 -8.344 -15.499 1.00 0.00 O ATOM 0 H TYR A 48 -9.584 -12.198 -10.974 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.267 -11.132 -11.363 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.607 -13.252 -12.819 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.083 -12.520 -13.416 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.553 -9.639 -12.769 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.069 -12.683 -14.530 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.260 -7.889 -13.969 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.755 -10.930 -15.705 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.436 -8.774 -16.017 1.00 0.00 H new ATOM 923 N LYS A 57 -13.691 -11.645 -7.038 1.00 0.00 N ATOM 924 CA LYS A 57 -13.209 -12.066 -5.726 1.00 0.00 C ATOM 925 C LYS A 57 -13.044 -10.838 -4.826 1.00 0.00 C ATOM 926 O LYS A 57 -13.550 -10.807 -3.707 1.00 0.00 O ATOM 927 CB LYS A 57 -11.894 -12.854 -5.843 1.00 0.00 C ATOM 928 CG LYS A 57 -11.883 -14.181 -5.076 1.00 0.00 C ATOM 929 CD LYS A 57 -12.708 -15.266 -5.780 1.00 0.00 C ATOM 930 CE LYS A 57 -12.528 -16.630 -5.101 1.00 0.00 C ATOM 931 NZ LYS A 57 -11.151 -17.141 -5.239 1.00 0.00 N ATOM 0 HA LYS A 57 -13.943 -12.736 -5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.697 -13.055 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.077 -12.231 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.855 -14.525 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.277 -14.022 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.762 -14.988 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.406 -15.335 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.778 -16.544 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.225 -17.346 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.134 -18.157 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.823 -16.995 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.524 -16.632 -4.583 1.00 0.00 H new ATOM 945 N GLY A 58 -12.305 -9.835 -5.308 1.00 0.00 N ATOM 946 CA GLY A 58 -11.927 -8.680 -4.519 1.00 0.00 C ATOM 947 C GLY A 58 -10.929 -7.823 -5.294 1.00 0.00 C ATOM 948 O GLY A 58 -10.386 -8.269 -6.307 1.00 0.00 O ATOM 0 H GLY A 58 -11.954 -9.810 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.811 -8.091 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.487 -9.002 -3.575 1.00 0.00 H new ATOM 952 N TYR A 59 -10.683 -6.601 -4.816 1.00 0.00 N ATOM 953 CA TYR A 59 -9.576 -5.792 -5.301 1.00 0.00 C ATOM 954 C TYR A 59 -8.302 -6.250 -4.603 1.00 0.00 C ATOM 955 O TYR A 59 -8.370 -6.972 -3.608 1.00 0.00 O ATOM 956 CB TYR A 59 -9.839 -4.302 -5.037 1.00 0.00 C ATOM 957 CG TYR A 59 -10.692 -3.643 -6.090 1.00 0.00 C ATOM 958 CD1 TYR A 59 -10.122 -3.449 -7.354 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.967 -3.126 -5.799 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.813 -2.726 -8.339 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.664 -2.406 -6.786 1.00 0.00 C ATOM 962 CZ TYR A 59 -12.085 -2.198 -8.050 1.00 0.00 C ATOM 963 OH TYR A 59 -12.748 -1.460 -8.984 1.00 0.00 O ATOM 0 H TYR A 59 -11.242 -6.153 -4.090 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.469 -5.919 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.325 -4.194 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.885 -3.779 -4.975 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.146 -3.857 -7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.408 -3.281 -4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.371 -2.576 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.647 -2.012 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.612 -1.174 -8.621 1.00 0.00 H new ATOM 973 N GLU A 60 -7.141 -5.839 -5.114 1.00 0.00 N ATOM 974 CA GLU A 60 -5.867 -6.125 -4.495 1.00 0.00 C ATOM 975 C GLU A 60 -4.852 -5.054 -4.893 1.00 0.00 C ATOM 976 O GLU A 60 -5.033 -4.307 -5.857 1.00 0.00 O ATOM 977 CB GLU A 60 -5.401 -7.519 -4.937 1.00 0.00 C ATOM 978 CG GLU A 60 -4.396 -8.234 -4.023 1.00 0.00 C ATOM 979 CD GLU A 60 -4.266 -9.709 -4.374 1.00 0.00 C ATOM 980 OE1 GLU A 60 -5.151 -10.465 -3.913 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.302 -10.053 -5.091 1.00 0.00 O ATOM 0 H GLU A 60 -7.068 -5.296 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.963 -6.114 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.280 -8.155 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.956 -7.430 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.422 -7.753 -4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.713 -8.134 -2.985 1.00 0.00 H new ATOM 988 N TYR A 61 -3.751 -5.026 -4.161 1.00 0.00 N ATOM 989 CA TYR A 61 -2.591 -4.206 -4.420 1.00 0.00 C ATOM 990 C TYR A 61 -1.365 -5.062 -4.176 1.00 0.00 C ATOM 991 O TYR A 61 -1.220 -5.623 -3.091 1.00 0.00 O ATOM 992 CB TYR A 61 -2.568 -2.998 -3.485 1.00 0.00 C ATOM 993 CG TYR A 61 -3.692 -2.014 -3.720 1.00 0.00 C ATOM 994 CD1 TYR A 61 -3.543 -0.981 -4.663 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.899 -2.154 -3.016 1.00 0.00 C ATOM 996 CE1 TYR A 61 -4.579 -0.050 -4.854 1.00 0.00 C ATOM 997 CE2 TYR A 61 -5.949 -1.250 -3.243 1.00 0.00 C ATOM 998 CZ TYR A 61 -5.782 -0.184 -4.141 1.00 0.00 C ATOM 999 OH TYR A 61 -6.765 0.747 -4.291 1.00 0.00 O ATOM 0 H TYR A 61 -3.642 -5.606 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.614 -3.838 -5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.616 -3.349 -2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.616 -2.480 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.633 -0.903 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.019 -2.955 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.450 0.767 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.888 -1.375 -2.725 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.950 1.170 -3.426 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.501 -5.143 -5.185 1.00 0.00 N ATOM 1010 CA GLN A 62 0.833 -5.677 -5.062 1.00 0.00 C ATOM 1011 C GLN A 62 1.719 -4.505 -4.684 1.00 0.00 C ATOM 1012 O GLN A 62 1.881 -3.558 -5.458 1.00 0.00 O ATOM 1013 CB GLN A 62 1.288 -6.255 -6.405 1.00 0.00 C ATOM 1014 CG GLN A 62 2.740 -6.760 -6.382 1.00 0.00 C ATOM 1015 CD GLN A 62 2.871 -7.992 -5.501 1.00 0.00 C ATOM 1016 OE1 GLN A 62 2.648 -9.101 -5.975 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.214 -7.833 -4.223 1.00 0.00 N ATOM 0 H GLN A 62 -0.724 -4.829 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 62 0.879 -6.474 -4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.628 -7.077 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.187 -5.491 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.063 -6.997 -7.396 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.398 -5.973 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.394 -6.899 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.297 -8.646 -3.612 1.00 0.00 H new ATOM 1026 N LEU A 63 2.318 -4.591 -3.504 1.00 0.00 N ATOM 1027 CA LEU A 63 3.363 -3.686 -3.101 1.00 0.00 C ATOM 1028 C LEU A 63 4.554 -4.512 -2.631 1.00 0.00 C ATOM 1029 O LEU A 63 4.520 -5.749 -2.637 1.00 0.00 O ATOM 1030 CB LEU A 63 2.813 -2.605 -2.158 1.00 0.00 C ATOM 1031 CG LEU A 63 1.953 -3.093 -0.987 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.819 -3.276 0.255 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.883 -2.048 -0.661 1.00 0.00 C ATOM 0 H LEU A 63 2.086 -5.295 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 63 3.750 -3.087 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.656 -2.045 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.221 -1.906 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 63 1.491 -4.039 -1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.200 -3.623 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.597 -4.011 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.280 -2.325 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.274 -2.399 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.363 -1.108 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.249 -1.892 -1.534 1.00 0.00 H new ATOM 1045 N TYR A 64 5.647 -3.812 -2.346 1.00 0.00 N ATOM 1046 CA TYR A 64 6.957 -4.401 -2.202 1.00 0.00 C ATOM 1047 C TYR A 64 7.730 -3.604 -1.157 1.00 0.00 C ATOM 1048 O TYR A 64 8.374 -2.605 -1.483 1.00 0.00 O ATOM 1049 CB TYR A 64 7.600 -4.343 -3.589 1.00 0.00 C ATOM 1050 CG TYR A 64 7.549 -5.664 -4.328 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.426 -6.690 -3.941 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.594 -5.904 -5.334 1.00 0.00 C ATOM 1053 CE1 TYR A 64 8.399 -7.927 -4.600 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.540 -7.160 -5.967 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.459 -8.165 -5.614 1.00 0.00 C ATOM 1056 OH TYR A 64 7.402 -9.394 -6.199 1.00 0.00 O ATOM 0 H TYR A 64 5.638 -2.801 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 64 6.936 -5.435 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.096 -3.582 -4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.640 -4.031 -3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.124 -6.526 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.903 -5.125 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.103 -8.699 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.793 -7.352 -6.723 1.00 0.00 H new ATOM 0 HH TYR A 64 6.699 -9.399 -6.881 1.00 0.00 H new ATOM 1066 N VAL A 65 7.622 -4.015 0.107 1.00 0.00 N ATOM 1067 CA VAL A 65 8.198 -3.269 1.211 1.00 0.00 C ATOM 1068 C VAL A 65 9.664 -3.681 1.338 1.00 0.00 C ATOM 1069 O VAL A 65 9.983 -4.865 1.457 1.00 0.00 O ATOM 1070 CB VAL A 65 7.397 -3.514 2.501 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.984 -2.705 3.664 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.934 -3.086 2.310 1.00 0.00 C ATOM 0 H VAL A 65 7.136 -4.867 0.386 1.00 0.00 H new ATOM 0 HA VAL A 65 8.150 -2.196 1.027 1.00 0.00 H new ATOM 0 HB VAL A 65 7.451 -4.579 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.403 -2.892 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.019 -3.004 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.948 -1.643 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.379 -3.265 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.895 -2.025 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.489 -3.664 1.500 1.00 0.00 H new ATOM 1082 N TYR A 66 10.556 -2.694 1.302 1.00 0.00 N ATOM 1083 CA TYR A 66 11.961 -2.887 1.570 1.00 0.00 C ATOM 1084 C TYR A 66 12.114 -2.988 3.077 1.00 0.00 C ATOM 1085 O TYR A 66 11.579 -2.149 3.810 1.00 0.00 O ATOM 1086 CB TYR A 66 12.744 -1.703 0.997 1.00 0.00 C ATOM 1087 CG TYR A 66 14.245 -1.821 1.122 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.911 -2.859 0.451 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.980 -0.860 1.837 1.00 0.00 C ATOM 1090 CE1 TYR A 66 16.312 -2.969 0.532 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.382 -0.933 1.868 1.00 0.00 C ATOM 1092 CZ TYR A 66 17.048 -1.983 1.218 1.00 0.00 C ATOM 1093 OH TYR A 66 18.409 -2.007 1.239 1.00 0.00 O ATOM 0 H TYR A 66 10.310 -1.729 1.082 1.00 0.00 H new ATOM 0 HA TYR A 66 12.350 -3.792 1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.488 -1.591 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.421 -0.793 1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.347 -3.575 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.468 -0.067 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.819 -3.804 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.949 -0.179 2.394 1.00 0.00 H new ATOM 0 HH TYR A 66 18.721 -2.932 1.157 1.00 0.00 H new ATOM 1103 N ALA A 67 12.812 -4.018 3.550 1.00 0.00 N ATOM 1104 CA ALA A 67 13.013 -4.196 4.974 1.00 0.00 C ATOM 1105 C ALA A 67 14.278 -4.992 5.242 1.00 0.00 C ATOM 1106 O ALA A 67 14.715 -5.736 4.366 1.00 0.00 O ATOM 1107 CB ALA A 67 11.773 -4.837 5.594 1.00 0.00 C ATOM 0 H ALA A 67 13.243 -4.735 2.967 1.00 0.00 H new ATOM 0 HA ALA A 67 13.152 -3.224 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.928 -4.969 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.909 -4.193 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.595 -5.808 5.131 1.00 0.00 H new ATOM 1113 N SER A 68 14.876 -4.821 6.428 1.00 0.00 N ATOM 1114 CA SER A 68 16.225 -5.306 6.729 1.00 0.00 C ATOM 1115 C SER A 68 17.247 -4.833 5.682 1.00 0.00 C ATOM 1116 O SER A 68 17.938 -3.839 5.888 1.00 0.00 O ATOM 1117 CB SER A 68 16.277 -6.827 6.930 1.00 0.00 C ATOM 1118 OG SER A 68 15.672 -7.159 8.159 1.00 0.00 O ATOM 0 H SER A 68 14.432 -4.339 7.210 1.00 0.00 H new ATOM 0 HA SER A 68 16.506 -4.861 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.763 -7.331 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.311 -7.171 6.917 1.00 0.00 H new ATOM 0 HG SER A 68 15.703 -8.130 8.287 1.00 0.00 H new ATOM 1124 N ASP A 69 17.306 -5.552 4.560 1.00 0.00 N ATOM 1125 CA ASP A 69 18.027 -5.244 3.338 1.00 0.00 C ATOM 1126 C ASP A 69 17.586 -6.226 2.241 1.00 0.00 C ATOM 1127 O ASP A 69 18.409 -6.778 1.514 1.00 0.00 O ATOM 1128 CB ASP A 69 19.541 -5.303 3.588 1.00 0.00 C ATOM 1129 CG ASP A 69 20.381 -4.912 2.369 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.825 -4.233 1.474 1.00 0.00 O ATOM 1131 OD2 ASP A 69 21.572 -5.293 2.361 1.00 0.00 O ATOM 0 H ASP A 69 16.806 -6.438 4.483 1.00 0.00 H new ATOM 0 HA ASP A 69 17.797 -4.231 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.790 -4.641 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.811 -6.313 3.895 1.00 0.00 H new ATOM 1136 N LYS A 70 16.278 -6.483 2.152 1.00 0.00 N ATOM 1137 CA LYS A 70 15.662 -7.342 1.151 1.00 0.00 C ATOM 1138 C LYS A 70 14.294 -6.756 0.812 1.00 0.00 C ATOM 1139 O LYS A 70 13.786 -5.900 1.545 1.00 0.00 O ATOM 1140 CB LYS A 70 15.515 -8.788 1.661 1.00 0.00 C ATOM 1141 CG LYS A 70 16.847 -9.551 1.735 1.00 0.00 C ATOM 1142 CD LYS A 70 17.477 -9.522 3.134 1.00 0.00 C ATOM 1143 CE LYS A 70 18.928 -10.006 3.052 1.00 0.00 C ATOM 1144 NZ LYS A 70 19.587 -9.969 4.369 1.00 0.00 N ATOM 0 H LYS A 70 15.600 -6.082 2.800 1.00 0.00 H new ATOM 0 HA LYS A 70 16.295 -7.381 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.060 -8.771 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.832 -9.328 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.683 -10.587 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.546 -9.120 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.442 -8.511 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.909 -10.157 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.951 -11.023 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.481 -9.382 2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.567 -10.303 4.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.586 -8.994 4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.073 -10.584 5.032 1.00 0.00 H new ATOM 1158 N LEU A 71 13.708 -7.209 -0.301 1.00 0.00 N ATOM 1159 CA LEU A 71 12.370 -6.822 -0.698 1.00 0.00 C ATOM 1160 C LEU A 71 11.422 -7.903 -0.198 1.00 0.00 C ATOM 1161 O LEU A 71 11.433 -9.040 -0.670 1.00 0.00 O ATOM 1162 CB LEU A 71 12.277 -6.627 -2.219 1.00 0.00 C ATOM 1163 CG LEU A 71 12.818 -5.284 -2.743 1.00 0.00 C ATOM 1164 CD1 LEU A 71 12.086 -4.076 -2.146 1.00 0.00 C ATOM 1165 CD2 LEU A 71 14.340 -5.154 -2.620 1.00 0.00 C ATOM 0 H LEU A 71 14.159 -7.857 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 71 12.098 -5.861 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.822 -7.435 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.233 -6.721 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 71 12.601 -5.285 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.510 -3.157 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.027 -4.130 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.200 -4.081 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.655 -4.185 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.629 -5.238 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.820 -5.947 -3.193 1.00 0.00 H new ATOM 1177 N PHE A 72 10.592 -7.548 0.775 1.00 0.00 N ATOM 1178 CA PHE A 72 9.541 -8.416 1.236 1.00 0.00 C ATOM 1179 C PHE A 72 8.315 -8.072 0.401 1.00 0.00 C ATOM 1180 O PHE A 72 7.754 -6.977 0.504 1.00 0.00 O ATOM 1181 CB PHE A 72 9.375 -8.208 2.738 1.00 0.00 C ATOM 1182 CG PHE A 72 10.550 -8.762 3.522 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.671 -10.146 3.757 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.601 -7.905 3.874 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.819 -10.653 4.395 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.731 -8.400 4.554 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.844 -9.779 4.801 1.00 0.00 C ATOM 0 H PHE A 72 10.637 -6.651 1.259 1.00 0.00 H new ATOM 0 HA PHE A 72 9.743 -9.479 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.269 -7.143 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.457 -8.691 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.884 -10.817 3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.544 -6.856 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.913 -11.714 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.506 -7.724 4.884 1.00 0.00 H new ATOM 0 HZ PHE A 72 13.718 -10.168 5.303 1.00 0.00 H new ATOM 1197 N ARG A 73 7.941 -9.009 -0.468 1.00 0.00 N ATOM 1198 CA ARG A 73 6.776 -8.883 -1.314 1.00 0.00 C ATOM 1199 C ARG A 73 5.566 -8.764 -0.400 1.00 0.00 C ATOM 1200 O ARG A 73 5.542 -9.403 0.650 1.00 0.00 O ATOM 1201 CB ARG A 73 6.688 -10.117 -2.217 1.00 0.00 C ATOM 1202 CG ARG A 73 5.546 -9.997 -3.225 1.00 0.00 C ATOM 1203 CD ARG A 73 5.600 -11.164 -4.212 1.00 0.00 C ATOM 1204 NE ARG A 73 4.660 -10.936 -5.313 1.00 0.00 N ATOM 1205 CZ ARG A 73 4.679 -11.540 -6.506 1.00 0.00 C ATOM 1206 NH1 ARG A 73 5.577 -12.492 -6.783 1.00 0.00 N ATOM 1207 NH2 ARG A 73 3.779 -11.159 -7.414 1.00 0.00 N ATOM 0 H ARG A 73 8.450 -9.883 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 73 6.827 -8.005 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.631 -10.247 -2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.541 -11.007 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.588 -9.993 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.621 -9.051 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.611 -11.273 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.354 -12.095 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 73 3.921 -10.251 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.262 -12.768 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.577 -12.942 -7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.105 -10.428 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.765 -11.599 -8.334 1.00 0.00 H new ATOM 1221 N ALA A 74 4.576 -7.945 -0.745 1.00 0.00 N ATOM 1222 CA ALA A 74 3.440 -7.787 0.137 1.00 0.00 C ATOM 1223 C ALA A 74 2.190 -7.468 -0.675 1.00 0.00 C ATOM 1224 O ALA A 74 2.150 -6.468 -1.387 1.00 0.00 O ATOM 1225 CB ALA A 74 3.773 -6.733 1.191 1.00 0.00 C ATOM 0 H ALA A 74 4.542 -7.398 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 74 3.225 -8.714 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.922 -6.607 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.642 -7.054 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.992 -5.785 0.701 1.00 0.00 H new ATOM 1231 N ASP A 75 1.180 -8.337 -0.585 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.075 -8.188 -1.298 1.00 0.00 C ATOM 1233 C ASP A 75 -1.163 -7.866 -0.281 1.00 0.00 C ATOM 1234 O ASP A 75 -1.237 -8.500 0.769 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.387 -9.462 -2.088 1.00 0.00 C ATOM 1236 CG ASP A 75 0.539 -9.594 -3.294 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.722 -9.941 -3.072 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.053 -9.315 -4.411 1.00 0.00 O ATOM 0 H ASP A 75 1.220 -9.174 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.015 -7.374 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.275 -10.332 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.425 -9.443 -2.421 1.00 0.00 H new ATOM 1243 N ILE A 76 -1.995 -6.870 -0.580 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.154 -6.506 0.224 1.00 0.00 C ATOM 1245 C ILE A 76 -4.371 -6.710 -0.652 1.00 0.00 C ATOM 1246 O ILE A 76 -4.353 -6.225 -1.776 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.006 -5.046 0.684 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.077 -4.945 1.902 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.347 -4.331 0.929 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.558 -5.777 3.091 1.00 0.00 C ATOM 0 H ILE A 76 -1.877 -6.283 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.249 -7.116 1.122 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.545 -4.513 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.077 -5.272 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.996 -3.901 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.160 -3.307 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.928 -4.321 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.904 -4.858 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.860 -5.664 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.546 -5.434 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.612 -6.827 2.802 1.00 0.00 H new ATOM 1262 N SER A 77 -5.377 -7.436 -0.155 1.00 0.00 N ATOM 1263 CA SER A 77 -6.606 -7.769 -0.846 1.00 0.00 C ATOM 1264 C SER A 77 -7.763 -7.049 -0.162 1.00 0.00 C ATOM 1265 O SER A 77 -7.680 -6.805 1.038 1.00 0.00 O ATOM 1266 CB SER A 77 -6.791 -9.283 -0.761 1.00 0.00 C ATOM 1267 OG SER A 77 -5.654 -9.987 -1.252 1.00 0.00 O ATOM 0 H SER A 77 -5.345 -7.822 0.788 1.00 0.00 H new ATOM 0 HA SER A 77 -6.572 -7.461 -1.891 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.975 -9.568 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.672 -9.573 -1.333 1.00 0.00 H new ATOM 0 HG SER A 77 -5.702 -10.046 -2.229 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.828 -6.699 -0.888 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.967 -5.988 -0.347 1.00 0.00 C ATOM 1275 C GLU A 78 -11.269 -6.663 -0.732 1.00 0.00 C ATOM 1276 O GLU A 78 -11.436 -7.121 -1.863 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.035 -4.557 -0.870 1.00 0.00 C ATOM 1278 CG GLU A 78 -8.777 -3.739 -0.576 1.00 0.00 C ATOM 1279 CD GLU A 78 -7.700 -4.008 -1.615 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -7.940 -3.648 -2.785 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -6.664 -4.581 -1.231 1.00 0.00 O ATOM 0 H GLU A 78 -8.915 -6.909 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.837 -5.990 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.200 -4.580 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.896 -4.057 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.023 -2.677 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.401 -3.987 0.416 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.216 -6.632 0.202 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.558 -7.134 -0.038 1.00 0.00 C ATOM 1290 C ASP A 79 -14.315 -6.139 -0.917 1.00 0.00 C ATOM 1291 O ASP A 79 -14.816 -5.136 -0.407 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.298 -7.380 1.282 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.644 -8.066 1.062 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.972 -8.348 -0.111 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.333 -8.289 2.080 1.00 0.00 O ATOM 0 H ASP A 79 -12.072 -6.259 1.141 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.496 -8.092 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.680 -7.995 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.454 -6.430 1.793 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.401 -6.442 -2.215 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.149 -5.699 -3.229 1.00 0.00 C ATOM 1302 C TYR A 80 -16.551 -5.303 -2.753 1.00 0.00 C ATOM 1303 O TYR A 80 -17.034 -4.232 -3.114 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.217 -6.542 -4.512 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.212 -6.070 -5.555 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.123 -4.765 -6.077 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.250 -6.923 -5.978 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -17.082 -4.310 -6.998 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.202 -6.469 -6.906 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.125 -5.158 -7.406 1.00 0.00 C ATOM 1311 OH TYR A 80 -19.056 -4.706 -8.291 1.00 0.00 O ATOM 0 H TYR A 80 -13.925 -7.255 -2.606 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.625 -4.764 -3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.226 -6.562 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -15.464 -7.568 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.318 -4.114 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.314 -7.928 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -17.017 -3.307 -7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.993 -7.127 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 80 -19.708 -5.415 -8.471 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.187 -6.154 -1.933 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.450 -5.860 -1.264 1.00 0.00 C ATOM 1323 C LYS A 81 -18.502 -4.429 -0.737 1.00 0.00 C ATOM 1324 O LYS A 81 -19.558 -3.800 -0.796 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.656 -6.838 -0.099 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.067 -6.792 0.501 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.104 -7.354 -0.485 1.00 0.00 C ATOM 1328 CE LYS A 81 -21.926 -8.488 0.141 1.00 0.00 C ATOM 1329 NZ LYS A 81 -21.083 -9.665 0.436 1.00 0.00 N ATOM 0 H LYS A 81 -16.825 -7.083 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.245 -5.973 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.451 -7.851 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.930 -6.616 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.091 -7.367 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.324 -5.764 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.772 -6.555 -0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.596 -7.722 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.395 -8.135 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.729 -8.775 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.689 -10.494 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.451 -9.850 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.514 -9.480 1.287 1.00 0.00 H new ATOM 1343 N THR A 82 -17.389 -3.915 -0.204 1.00 0.00 N ATOM 1344 CA THR A 82 -17.323 -2.538 0.237 1.00 0.00 C ATOM 1345 C THR A 82 -15.911 -1.990 0.030 1.00 0.00 C ATOM 1346 O THR A 82 -15.700 -1.129 -0.822 1.00 0.00 O ATOM 1347 CB THR A 82 -17.812 -2.502 1.692 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.215 -2.658 1.738 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.450 -1.195 2.370 1.00 0.00 C ATOM 0 H THR A 82 -16.525 -4.441 -0.072 1.00 0.00 H new ATOM 0 HA THR A 82 -17.968 -1.882 -0.348 1.00 0.00 H new ATOM 0 HB THR A 82 -17.322 -3.321 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.542 -2.938 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.812 -1.206 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.367 -1.072 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.910 -0.366 1.832 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.979 -2.460 0.860 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.593 -2.031 1.010 1.00 0.00 C ATOM 1359 C ARG A 83 -13.077 -2.675 2.296 1.00 0.00 C ATOM 1360 O ARG A 83 -12.568 -2.012 3.196 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.441 -0.499 1.000 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.021 0.015 -0.384 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.579 1.419 -0.635 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.326 1.852 -2.016 1.00 0.00 N ATOM 1365 CZ ARG A 83 -14.008 1.414 -3.086 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -14.962 0.480 -2.961 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -13.725 1.918 -4.291 1.00 0.00 N ATOM 0 H ARG A 83 -15.199 -3.221 1.503 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.995 -2.356 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.385 -0.037 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.699 -0.201 1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.934 0.033 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.380 -0.667 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.651 1.427 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.122 2.124 0.059 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.582 2.532 -2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.178 0.092 -2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.471 0.158 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.998 2.627 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.236 1.594 -5.112 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.229 -4.000 2.385 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.553 -4.759 3.422 1.00 0.00 C ATOM 1383 C GLY A 84 -11.055 -4.693 3.155 1.00 0.00 C ATOM 1384 O GLY A 84 -10.644 -4.199 2.107 1.00 0.00 O ATOM 0 H GLY A 84 -13.808 -4.557 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.783 -4.349 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.895 -5.794 3.421 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.235 -5.190 4.077 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.795 -5.089 3.933 1.00 0.00 C ATOM 1390 C ARG A 85 -8.156 -6.317 4.576 1.00 0.00 C ATOM 1391 O ARG A 85 -8.073 -6.395 5.800 1.00 0.00 O ATOM 1392 CB ARG A 85 -8.353 -3.752 4.550 1.00 0.00 C ATOM 1393 CG ARG A 85 -7.148 -3.174 3.809 1.00 0.00 C ATOM 1394 CD ARG A 85 -6.765 -1.819 4.420 1.00 0.00 C ATOM 1395 NE ARG A 85 -7.697 -0.760 4.014 1.00 0.00 N ATOM 1396 CZ ARG A 85 -7.584 -0.060 2.879 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -6.644 -0.387 1.993 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -8.406 0.963 2.632 1.00 0.00 N ATOM 0 H ARG A 85 -10.546 -5.663 4.926 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.472 -5.084 2.892 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -9.179 -3.042 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -8.102 -3.898 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.306 -3.863 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.383 -3.053 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.756 -1.899 5.507 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.754 -1.553 4.111 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.478 -0.545 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.015 -1.168 2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.554 0.143 1.126 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.125 1.215 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.315 1.493 1.765 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.766 -7.298 3.758 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.215 -8.569 4.191 1.00 0.00 C ATOM 1414 C LYS A 86 -5.712 -8.619 3.960 1.00 0.00 C ATOM 1415 O LYS A 86 -5.182 -8.093 2.978 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.939 -9.742 3.530 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.410 -9.859 3.958 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.630 -10.302 5.417 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.549 -9.173 6.465 1.00 0.00 C ATOM 1420 NZ LYS A 86 -10.444 -9.453 7.604 1.00 0.00 N ATOM 0 H LYS A 86 -7.830 -7.219 2.743 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.379 -8.661 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.890 -9.628 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.420 -10.668 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.894 -8.893 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.909 -10.570 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.608 -10.776 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.888 -11.061 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.523 -9.071 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.823 -8.223 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.375 -8.681 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.424 -9.527 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.165 -10.348 8.053 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.048 -9.249 4.927 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.619 -9.217 5.112 1.00 0.00 C ATOM 1436 C LEU A 87 -3.003 -10.440 4.435 1.00 0.00 C ATOM 1437 O LEU A 87 -2.949 -11.517 5.021 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.412 -9.169 6.638 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.058 -8.616 7.090 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.190 -8.113 8.532 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -0.961 -9.681 6.997 1.00 0.00 C ATOM 0 H LEU A 87 -5.523 -9.818 5.628 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.126 -8.358 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.202 -8.560 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.528 -10.177 7.037 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.772 -7.796 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.232 -7.716 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.944 -7.327 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.488 -8.938 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.012 -9.256 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.220 -10.526 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.869 -10.020 5.965 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.494 -10.241 3.217 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.719 -11.214 2.448 1.00 0.00 C ATOM 1455 C LEU A 88 -0.253 -10.758 2.353 1.00 0.00 C ATOM 1456 O LEU A 88 0.539 -11.322 1.595 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.372 -11.386 1.061 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.358 -12.561 0.938 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -2.620 -13.905 0.891 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.426 -12.572 2.038 1.00 0.00 C ATOM 0 H LEU A 88 -2.617 -9.359 2.720 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.719 -12.184 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.897 -10.465 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.583 -11.516 0.320 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.882 -12.414 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.344 -14.715 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.951 -13.923 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.040 -14.034 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.089 -13.425 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.944 -12.648 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.006 -11.650 1.991 1.00 0.00 H new ATOM 1472 N ARG A 89 0.107 -9.706 3.096 1.00 0.00 N ATOM 1473 CA ARG A 89 1.411 -9.079 3.028 1.00 0.00 C ATOM 1474 C ARG A 89 2.509 -9.917 3.680 1.00 0.00 C ATOM 1475 O ARG A 89 2.236 -10.877 4.395 1.00 0.00 O ATOM 1476 CB ARG A 89 1.378 -7.650 3.583 1.00 0.00 C ATOM 1477 CG ARG A 89 0.643 -7.500 4.913 1.00 0.00 C ATOM 1478 CD ARG A 89 0.903 -6.122 5.523 1.00 0.00 C ATOM 1479 NE ARG A 89 0.443 -5.022 4.652 1.00 0.00 N ATOM 1480 CZ ARG A 89 1.176 -4.338 3.764 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.448 -4.672 3.521 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.631 -3.289 3.140 1.00 0.00 N ATOM 0 H ARG A 89 -0.519 -9.266 3.771 1.00 0.00 H new ATOM 0 HA ARG A 89 1.668 -9.016 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.402 -7.299 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.906 -6.999 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.427 -7.639 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.970 -8.277 5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.398 -6.054 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.970 -6.008 5.714 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.538 -4.754 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.872 -5.457 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.994 -4.142 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.331 -3.019 3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.178 -2.759 2.461 1.00 0.00 H new ATOM 1496 N PHE A 90 3.754 -9.497 3.435 1.00 0.00 N ATOM 1497 CA PHE A 90 4.979 -10.137 3.879 1.00 0.00 C ATOM 1498 C PHE A 90 5.062 -11.575 3.375 1.00 0.00 C ATOM 1499 O PHE A 90 4.744 -12.530 4.077 1.00 0.00 O ATOM 1500 CB PHE A 90 5.163 -9.988 5.386 1.00 0.00 C ATOM 1501 CG PHE A 90 5.846 -8.690 5.748 1.00 0.00 C ATOM 1502 CD1 PHE A 90 5.066 -7.537 5.919 1.00 0.00 C ATOM 1503 CD2 PHE A 90 7.245 -8.577 5.629 1.00 0.00 C ATOM 1504 CE1 PHE A 90 5.668 -6.269 5.875 1.00 0.00 C ATOM 1505 CE2 PHE A 90 7.852 -7.309 5.618 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.061 -6.152 5.711 1.00 0.00 C ATOM 0 H PHE A 90 3.935 -8.654 2.891 1.00 0.00 H new ATOM 0 HA PHE A 90 5.830 -9.623 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.191 -10.035 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 90 5.751 -10.825 5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.002 -7.624 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.852 -9.466 5.546 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.060 -5.381 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.926 -7.225 5.538 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.520 -5.176 5.657 1.00 0.00 H new ATOM 1516 N ASN A 91 5.507 -11.693 2.128 1.00 0.00 N ATOM 1517 CA ASN A 91 5.526 -12.895 1.323 1.00 0.00 C ATOM 1518 C ASN A 91 6.833 -12.903 0.521 1.00 0.00 C ATOM 1519 O ASN A 91 7.622 -11.958 0.608 1.00 0.00 O ATOM 1520 CB ASN A 91 4.283 -12.867 0.421 1.00 0.00 C ATOM 1521 CG ASN A 91 3.786 -14.269 0.090 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.555 -15.113 -0.360 1.00 0.00 O ATOM 1523 ND2 ASN A 91 2.501 -14.529 0.321 1.00 0.00 N ATOM 0 H ASN A 91 5.889 -10.892 1.625 1.00 0.00 H new ATOM 0 HA ASN A 91 5.494 -13.806 1.921 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.489 -12.308 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.517 -12.338 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.125 -15.456 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.893 -13.801 0.696 1.00 0.00 H new ATOM 1530 N GLY A 92 7.072 -13.954 -0.261 1.00 0.00 N ATOM 1531 CA GLY A 92 8.331 -14.169 -0.958 1.00 0.00 C ATOM 1532 C GLY A 92 9.253 -15.008 -0.069 1.00 0.00 C ATOM 1533 O GLY A 92 8.935 -16.175 0.154 1.00 0.00 O ATOM 0 H GLY A 92 6.384 -14.689 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.155 -14.678 -1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.800 -13.213 -1.192 1.00 0.00 H new ATOM 1537 N PRO A 93 10.356 -14.468 0.477 1.00 0.00 N ATOM 1538 CA PRO A 93 10.878 -13.119 0.282 1.00 0.00 C ATOM 1539 C PRO A 93 11.447 -12.966 -1.130 1.00 0.00 C ATOM 1540 O PRO A 93 11.597 -13.955 -1.844 1.00 0.00 O ATOM 1541 CB PRO A 93 11.982 -12.976 1.334 1.00 0.00 C ATOM 1542 CG PRO A 93 12.524 -14.401 1.455 1.00 0.00 C ATOM 1543 CD PRO A 93 11.260 -15.246 1.311 1.00 0.00 C ATOM 0 HA PRO A 93 10.109 -12.354 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.754 -12.275 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.591 -12.610 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.254 -14.626 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.017 -14.568 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.484 -16.209 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.814 -15.452 2.284 1.00 0.00 H new ATOM 1551 N VAL A 94 11.762 -11.731 -1.534 1.00 0.00 N ATOM 1552 CA VAL A 94 12.361 -11.443 -2.828 1.00 0.00 C ATOM 1553 C VAL A 94 13.739 -10.798 -2.599 1.00 0.00 C ATOM 1554 O VAL A 94 13.823 -9.666 -2.116 1.00 0.00 O ATOM 1555 CB VAL A 94 11.392 -10.588 -3.667 1.00 0.00 C ATOM 1556 CG1 VAL A 94 12.039 -10.103 -4.969 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.154 -11.433 -4.016 1.00 0.00 C ATOM 0 H VAL A 94 11.604 -10.901 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 94 12.531 -12.351 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 94 11.118 -9.714 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.322 -9.504 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 94 12.915 -9.497 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.341 -10.963 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.462 -10.836 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.461 -12.309 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.661 -11.753 -3.098 1.00 0.00 H new ATOM 1567 N PRO A 95 14.845 -11.496 -2.909 1.00 0.00 N ATOM 1568 CA PRO A 95 16.160 -10.882 -2.870 1.00 0.00 C ATOM 1569 C PRO A 95 16.255 -9.874 -4.024 1.00 0.00 C ATOM 1570 O PRO A 95 15.544 -10.020 -5.018 1.00 0.00 O ATOM 1571 CB PRO A 95 17.151 -12.040 -3.021 1.00 0.00 C ATOM 1572 CG PRO A 95 16.380 -13.050 -3.869 1.00 0.00 C ATOM 1573 CD PRO A 95 14.927 -12.854 -3.436 1.00 0.00 C ATOM 0 HA PRO A 95 16.366 -10.334 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.071 -11.721 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.433 -12.458 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 95 16.509 -12.860 -4.934 1.00 0.00 H new ATOM 0 HG3 PRO A 95 16.719 -14.069 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 95 14.247 -12.988 -4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.644 -13.585 -2.678 1.00 0.00 H new ATOM 1581 N PRO A 96 17.106 -8.844 -3.918 1.00 0.00 N ATOM 1582 CA PRO A 96 17.249 -7.839 -4.957 1.00 0.00 C ATOM 1583 C PRO A 96 17.797 -8.484 -6.235 1.00 0.00 C ATOM 1584 O PRO A 96 18.896 -9.039 -6.201 1.00 0.00 O ATOM 1585 CB PRO A 96 18.213 -6.798 -4.378 1.00 0.00 C ATOM 1586 CG PRO A 96 19.031 -7.586 -3.351 1.00 0.00 C ATOM 1587 CD PRO A 96 18.020 -8.598 -2.814 1.00 0.00 C ATOM 0 HA PRO A 96 16.301 -7.377 -5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.850 -6.369 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.676 -5.972 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.890 -8.077 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.416 -6.942 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.513 -9.517 -2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.492 -8.205 -1.945 1.00 0.00 H new ATOM 1595 N PRO A 97 17.056 -8.445 -7.358 1.00 0.00 N ATOM 1596 CA PRO A 97 17.489 -9.095 -8.589 1.00 0.00 C ATOM 1597 C PRO A 97 18.602 -8.262 -9.268 1.00 0.00 C ATOM 1598 O PRO A 97 19.741 -8.795 -9.361 1.00 0.00 O ATOM 1599 CB PRO A 97 16.227 -9.210 -9.459 1.00 0.00 C ATOM 1600 CG PRO A 97 15.379 -8.028 -9.007 1.00 0.00 C ATOM 1601 CD PRO A 97 15.736 -7.864 -7.530 1.00 0.00 C ATOM 1602 OXT PRO A 97 18.279 -7.113 -9.675 1.00 0.00 O ATOM 0 HA PRO A 97 17.921 -10.081 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.464 -9.152 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 97 15.713 -10.158 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.612 -7.128 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.315 -8.225 -9.142 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.735 -6.812 -7.245 1.00 0.00 H new ATOM 0 HD3 PRO A 97 15.005 -8.366 -6.896 1.00 0.00 H new