USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 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 Set 1.1: A 62 GLN : amide:sc= 2.21 K(o=4.1,f=-0.9) USER MOD Set 1.2: A 64 TYR OH : rot -19:sc= 1.92 USER MOD Single : A 13 THR OG1 : rot 157:sc= 1.04 USER MOD Single : A 14 GLN : amide:sc= 0.959 K(o=0.96,f=-4!) USER MOD Single : A 15 ASN : amide:sc= -0.186 K(o=-0.19,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.877 K(o=0.88,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0544) USER MOD Single : A 29 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.064) USER MOD Single : A 30 TYR OH : rot -112:sc= 0.733 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -3.15! C(o=-5!,f=-3.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 107:sc= 0.593 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -113:sc= 0.28 (180deg=-0.73) USER MOD Single : A 46 THR OG1 : rot -32:sc= 0.59 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -0.0134 (180deg=-0.147) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -10:sc= 1.28 USER MOD Single : A 66 TYR OH : rot -128:sc= 1.31 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0914) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 16:sc= 0.72 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.0355 F(o=-0.6,f=0.036) USER MOD ----------------------------------------------------------------- ATOM 27 N GLU A 3 -7.844 -5.717 -15.667 1.00 0.00 N ATOM 28 CA GLU A 3 -6.407 -5.766 -15.810 1.00 0.00 C ATOM 29 C GLU A 3 -5.750 -4.819 -14.809 1.00 0.00 C ATOM 30 O GLU A 3 -6.402 -4.023 -14.132 1.00 0.00 O ATOM 31 CB GLU A 3 -5.977 -5.423 -17.250 1.00 0.00 C ATOM 32 CG GLU A 3 -6.581 -6.360 -18.307 1.00 0.00 C ATOM 33 CD GLU A 3 -7.906 -5.836 -18.861 1.00 0.00 C ATOM 34 OE1 GLU A 3 -8.920 -5.957 -18.140 1.00 0.00 O ATOM 35 OE2 GLU A 3 -7.876 -5.303 -19.990 1.00 0.00 O ATOM 0 HA GLU A 3 -6.076 -6.783 -15.602 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.270 -4.397 -17.474 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.890 -5.465 -17.316 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.872 -6.485 -19.125 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.738 -7.345 -17.868 1.00 0.00 H new ATOM 42 N TRP A 4 -4.431 -4.944 -14.725 1.00 0.00 N ATOM 43 CA TRP A 4 -3.641 -4.239 -13.741 1.00 0.00 C ATOM 44 C TRP A 4 -3.603 -2.740 -14.047 1.00 0.00 C ATOM 45 O TRP A 4 -3.822 -2.330 -15.186 1.00 0.00 O ATOM 46 CB TRP A 4 -2.232 -4.840 -13.649 1.00 0.00 C ATOM 47 CG TRP A 4 -2.120 -6.296 -13.289 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.557 -7.354 -14.012 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.481 -6.869 -12.111 1.00 0.00 C ATOM 50 NE1 TRP A 4 -2.254 -8.528 -13.353 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.574 -8.290 -12.178 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.839 -6.321 -10.984 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -1.038 -9.125 -11.186 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.270 -7.147 -9.999 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.363 -8.546 -10.099 1.00 0.00 C ATOM 0 H TRP A 4 -3.883 -5.542 -15.344 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.112 -4.358 -12.765 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.740 -4.692 -14.610 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.669 -4.267 -12.912 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.066 -7.289 -14.962 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.503 -9.457 -13.693 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.783 -5.248 -10.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -1.143 -10.198 -11.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.243 -6.703 -9.159 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.083 -9.174 -9.342 1.00 0.00 H new ATOM 66 N GLU A 5 -3.315 -1.930 -13.026 1.00 0.00 N ATOM 67 CA GLU A 5 -3.211 -0.485 -13.131 1.00 0.00 C ATOM 68 C GLU A 5 -2.126 0.035 -12.195 1.00 0.00 C ATOM 69 O GLU A 5 -1.565 -0.705 -11.381 1.00 0.00 O ATOM 70 CB GLU A 5 -4.554 0.184 -12.786 1.00 0.00 C ATOM 71 CG GLU A 5 -4.968 1.273 -13.788 1.00 0.00 C ATOM 72 CD GLU A 5 -5.908 0.734 -14.864 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.059 0.413 -14.497 1.00 0.00 O ATOM 74 OE2 GLU A 5 -5.468 0.673 -16.032 1.00 0.00 O ATOM 0 H GLU A 5 -3.144 -2.276 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.949 -0.237 -14.160 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.332 -0.578 -12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.488 0.623 -11.790 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.457 2.089 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.078 1.689 -14.260 1.00 0.00 H new ATOM 81 N ILE A 6 -1.889 1.340 -12.317 1.00 0.00 N ATOM 82 CA ILE A 6 -0.892 2.082 -11.569 1.00 0.00 C ATOM 83 C ILE A 6 -1.433 2.487 -10.200 1.00 0.00 C ATOM 84 O ILE A 6 -2.590 2.874 -10.051 1.00 0.00 O ATOM 85 CB ILE A 6 -0.378 3.304 -12.360 1.00 0.00 C ATOM 86 CG1 ILE A 6 -1.485 4.332 -12.669 1.00 0.00 C ATOM 87 CG2 ILE A 6 0.322 2.834 -13.643 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.934 5.627 -13.272 1.00 0.00 C ATOM 0 H ILE A 6 -2.411 1.927 -12.968 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.037 1.424 -11.411 1.00 0.00 H new ATOM 0 HB ILE A 6 0.341 3.825 -11.727 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.203 3.891 -13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.026 4.564 -11.752 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.683 3.700 -14.198 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.164 2.192 -13.384 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.383 2.276 -14.259 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.756 6.315 -13.470 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.237 6.087 -12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.416 5.403 -14.205 1.00 0.00 H new ATOM 100 N ILE A 7 -0.568 2.413 -9.194 1.00 0.00 N ATOM 101 CA ILE A 7 -0.881 2.696 -7.801 1.00 0.00 C ATOM 102 C ILE A 7 -0.603 4.188 -7.493 1.00 0.00 C ATOM 103 O ILE A 7 0.079 4.527 -6.531 1.00 0.00 O ATOM 104 CB ILE A 7 -0.083 1.645 -7.000 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.579 1.247 -5.604 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.421 1.909 -7.013 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.377 2.299 -4.520 1.00 0.00 C ATOM 0 H ILE A 7 0.406 2.144 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.931 2.594 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.302 0.747 -7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.642 1.012 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.068 0.333 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.931 1.139 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.785 1.891 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.623 2.886 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.760 1.922 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.686 2.519 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.912 3.209 -4.792 1.00 0.00 H new ATOM 119 N ASP A 8 -1.134 5.099 -8.323 1.00 0.00 N ATOM 120 CA ASP A 8 -0.987 6.554 -8.156 1.00 0.00 C ATOM 121 C ASP A 8 -2.097 7.057 -7.227 1.00 0.00 C ATOM 122 O ASP A 8 -3.256 7.071 -7.632 1.00 0.00 O ATOM 123 CB ASP A 8 -1.058 7.243 -9.522 1.00 0.00 C ATOM 124 CG ASP A 8 -1.008 8.761 -9.378 1.00 0.00 C ATOM 125 OD1 ASP A 8 -0.148 9.229 -8.602 1.00 0.00 O ATOM 126 OD2 ASP A 8 -1.832 9.425 -10.043 1.00 0.00 O ATOM 0 H ASP A 8 -1.686 4.842 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.019 6.788 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.229 6.907 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.977 6.953 -10.031 1.00 0.00 H new ATOM 131 N ILE A 9 -1.761 7.379 -5.974 1.00 0.00 N ATOM 132 CA ILE A 9 -2.673 7.553 -4.855 1.00 0.00 C ATOM 133 C ILE A 9 -1.928 8.428 -3.827 1.00 0.00 C ATOM 134 O ILE A 9 -0.790 8.823 -4.079 1.00 0.00 O ATOM 135 CB ILE A 9 -3.045 6.152 -4.298 1.00 0.00 C ATOM 136 CG1 ILE A 9 -3.705 5.169 -5.289 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.008 6.249 -3.121 1.00 0.00 C ATOM 138 CD1 ILE A 9 -5.111 5.609 -5.718 1.00 0.00 C ATOM 0 H ILE A 9 -0.789 7.532 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.608 8.041 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.066 5.759 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.074 5.073 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.763 4.182 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.244 5.248 -2.760 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.546 6.824 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.925 6.744 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.524 4.879 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.754 5.678 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.055 6.583 -6.204 1.00 0.00 H new ATOM 150 N GLY A 10 -2.534 8.687 -2.662 1.00 0.00 N ATOM 151 CA GLY A 10 -1.922 9.286 -1.489 1.00 0.00 C ATOM 152 C GLY A 10 -2.410 8.524 -0.251 1.00 0.00 C ATOM 153 O GLY A 10 -1.692 7.663 0.257 1.00 0.00 O ATOM 0 H GLY A 10 -3.519 8.469 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.835 9.238 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.190 10.340 -1.417 1.00 0.00 H new ATOM 157 N PRO A 11 -3.643 8.782 0.224 1.00 0.00 N ATOM 158 CA PRO A 11 -4.140 8.216 1.469 1.00 0.00 C ATOM 159 C PRO A 11 -4.137 6.687 1.453 1.00 0.00 C ATOM 160 O PRO A 11 -3.563 6.080 2.346 1.00 0.00 O ATOM 161 CB PRO A 11 -5.538 8.806 1.682 1.00 0.00 C ATOM 162 CG PRO A 11 -5.964 9.271 0.289 1.00 0.00 C ATOM 163 CD PRO A 11 -4.636 9.671 -0.359 1.00 0.00 C ATOM 0 HA PRO A 11 -3.488 8.475 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.227 8.063 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.517 9.635 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.462 8.477 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.658 10.110 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.677 9.559 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.397 10.715 -0.156 1.00 0.00 H new ATOM 171 N PHE A 12 -4.765 6.056 0.456 1.00 0.00 N ATOM 172 CA PHE A 12 -4.940 4.604 0.416 1.00 0.00 C ATOM 173 C PHE A 12 -3.589 3.879 0.479 1.00 0.00 C ATOM 174 O PHE A 12 -3.395 2.981 1.296 1.00 0.00 O ATOM 175 CB PHE A 12 -5.738 4.211 -0.837 1.00 0.00 C ATOM 176 CG PHE A 12 -6.817 3.166 -0.644 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.459 1.838 -0.362 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.162 3.482 -0.915 1.00 0.00 C ATOM 179 CE1 PHE A 12 -7.441 0.834 -0.310 1.00 0.00 C ATOM 180 CE2 PHE A 12 -9.142 2.476 -0.887 1.00 0.00 C ATOM 181 CZ PHE A 12 -8.784 1.156 -0.568 1.00 0.00 C ATOM 0 H PHE A 12 -5.167 6.540 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.505 4.293 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.201 5.110 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.038 3.845 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.424 1.587 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.441 4.500 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.164 -0.182 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.171 2.718 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.542 0.388 -0.521 1.00 0.00 H new ATOM 191 N THR A 13 -2.649 4.276 -0.383 1.00 0.00 N ATOM 192 CA THR A 13 -1.323 3.675 -0.431 1.00 0.00 C ATOM 193 C THR A 13 -0.621 3.883 0.909 1.00 0.00 C ATOM 194 O THR A 13 -0.066 2.933 1.469 1.00 0.00 O ATOM 195 CB THR A 13 -0.523 4.193 -1.642 1.00 0.00 C ATOM 196 OG1 THR A 13 0.744 3.568 -1.716 1.00 0.00 O ATOM 197 CG2 THR A 13 -0.303 5.707 -1.686 1.00 0.00 C ATOM 0 H THR A 13 -2.790 5.022 -1.064 1.00 0.00 H new ATOM 0 HA THR A 13 -1.406 2.599 -0.583 1.00 0.00 H new ATOM 0 HB THR A 13 -1.152 3.937 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.076 3.610 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.270 5.966 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.267 6.214 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.246 6.021 -0.798 1.00 0.00 H new ATOM 205 N GLN A 14 -0.706 5.097 1.465 1.00 0.00 N ATOM 206 CA GLN A 14 -0.186 5.311 2.805 1.00 0.00 C ATOM 207 C GLN A 14 -0.865 4.377 3.815 1.00 0.00 C ATOM 208 O GLN A 14 -0.216 3.867 4.723 1.00 0.00 O ATOM 209 CB GLN A 14 -0.340 6.781 3.194 1.00 0.00 C ATOM 210 CG GLN A 14 0.985 7.543 3.044 1.00 0.00 C ATOM 211 CD GLN A 14 1.417 7.698 1.585 1.00 0.00 C ATOM 212 OE1 GLN A 14 2.029 6.805 1.001 1.00 0.00 O ATOM 213 NE2 GLN A 14 1.131 8.852 0.988 1.00 0.00 N ATOM 0 H GLN A 14 -1.117 5.917 1.019 1.00 0.00 H new ATOM 0 HA GLN A 14 0.877 5.068 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.102 7.246 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.687 6.852 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.884 8.530 3.495 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.765 7.018 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.622 9.576 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.421 9.013 0.023 1.00 0.00 H new ATOM 222 N ASN A 15 -2.165 4.142 3.652 1.00 0.00 N ATOM 223 CA ASN A 15 -2.942 3.271 4.520 1.00 0.00 C ATOM 224 C ASN A 15 -2.360 1.860 4.518 1.00 0.00 C ATOM 225 O ASN A 15 -2.032 1.356 5.584 1.00 0.00 O ATOM 226 CB ASN A 15 -4.442 3.301 4.169 1.00 0.00 C ATOM 227 CG ASN A 15 -5.338 3.348 5.407 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.030 4.015 6.389 1.00 0.00 O ATOM 229 ND2 ASN A 15 -6.485 2.676 5.370 1.00 0.00 N ATOM 0 H ASN A 15 -2.713 4.560 2.900 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.870 3.649 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.647 4.170 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.690 2.419 3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.122 2.711 6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.727 2.126 4.546 1.00 0.00 H new ATOM 236 N LEU A 16 -2.177 1.229 3.352 1.00 0.00 N ATOM 237 CA LEU A 16 -1.465 -0.039 3.237 1.00 0.00 C ATOM 238 C LEU A 16 -0.095 0.039 3.909 1.00 0.00 C ATOM 239 O LEU A 16 0.261 -0.843 4.690 1.00 0.00 O ATOM 240 CB LEU A 16 -1.274 -0.413 1.761 1.00 0.00 C ATOM 241 CG LEU A 16 -2.537 -0.991 1.113 1.00 0.00 C ATOM 242 CD1 LEU A 16 -3.610 0.036 0.765 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.153 -1.709 -0.181 1.00 0.00 C ATOM 0 H LEU A 16 -2.522 1.589 2.462 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.065 -0.800 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.962 0.472 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.467 -1.141 1.679 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.964 -1.658 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.463 -0.469 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.931 0.548 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.203 0.763 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.047 -2.123 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.682 -1.002 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.455 -2.516 0.044 1.00 0.00 H new ATOM 255 N ALA A 17 0.681 1.076 3.591 1.00 0.00 N ATOM 256 CA ALA A 17 2.025 1.226 4.126 1.00 0.00 C ATOM 257 C ALA A 17 2.020 1.201 5.659 1.00 0.00 C ATOM 258 O ALA A 17 2.811 0.487 6.271 1.00 0.00 O ATOM 259 CB ALA A 17 2.627 2.519 3.577 1.00 0.00 C ATOM 0 H ALA A 17 0.395 1.826 2.961 1.00 0.00 H new ATOM 0 HA ALA A 17 2.642 0.385 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.636 2.646 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.664 2.470 2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.010 3.365 3.881 1.00 0.00 H new ATOM 265 N LYS A 18 1.115 1.957 6.287 1.00 0.00 N ATOM 266 CA LYS A 18 0.952 1.937 7.732 1.00 0.00 C ATOM 267 C LYS A 18 0.465 0.566 8.188 1.00 0.00 C ATOM 268 O LYS A 18 1.073 -0.025 9.075 1.00 0.00 O ATOM 269 CB LYS A 18 -0.024 3.039 8.189 1.00 0.00 C ATOM 270 CG LYS A 18 0.649 4.102 9.065 1.00 0.00 C ATOM 271 CD LYS A 18 1.188 3.498 10.370 1.00 0.00 C ATOM 272 CE LYS A 18 1.533 4.611 11.367 1.00 0.00 C ATOM 273 NZ LYS A 18 2.208 4.078 12.563 1.00 0.00 N ATOM 0 H LYS A 18 0.481 2.595 5.806 1.00 0.00 H new ATOM 0 HA LYS A 18 1.921 2.134 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.459 3.519 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.845 2.584 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.466 4.566 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.067 4.891 9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.445 2.829 10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.074 2.898 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.176 5.347 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.621 5.130 11.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.426 4.858 13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.585 3.394 13.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.090 3.605 12.282 1.00 0.00 H new ATOM 287 N PHE A 19 -0.628 0.078 7.592 1.00 0.00 N ATOM 288 CA PHE A 19 -1.282 -1.191 7.890 1.00 0.00 C ATOM 289 C PHE A 19 -0.221 -2.281 8.031 1.00 0.00 C ATOM 290 O PHE A 19 -0.183 -2.977 9.042 1.00 0.00 O ATOM 291 CB PHE A 19 -2.300 -1.481 6.770 1.00 0.00 C ATOM 292 CG PHE A 19 -3.274 -2.633 6.926 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.113 -2.691 8.055 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.573 -3.436 5.805 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.165 -3.621 8.108 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.613 -4.381 5.866 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.388 -4.494 7.030 1.00 0.00 C ATOM 0 H PHE A 19 -1.103 0.590 6.848 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.825 -1.155 8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.887 -0.575 6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.737 -1.652 5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.947 -2.018 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.001 -3.325 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.803 -3.665 8.978 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.815 -5.019 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.155 -5.251 7.097 1.00 0.00 H new ATOM 307 N ALA A 20 0.688 -2.356 7.055 1.00 0.00 N ATOM 308 CA ALA A 20 1.807 -3.287 7.055 1.00 0.00 C ATOM 309 C ALA A 20 2.562 -3.331 8.390 1.00 0.00 C ATOM 310 O ALA A 20 2.920 -4.415 8.843 1.00 0.00 O ATOM 311 CB ALA A 20 2.765 -2.978 5.904 1.00 0.00 C ATOM 0 H ALA A 20 0.661 -1.758 6.229 1.00 0.00 H new ATOM 0 HA ALA A 20 1.380 -4.280 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.595 -3.685 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.234 -3.064 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.150 -1.964 6.013 1.00 0.00 H new ATOM 317 N VAL A 21 2.836 -2.171 9.002 1.00 0.00 N ATOM 318 CA VAL A 21 3.597 -2.075 10.243 1.00 0.00 C ATOM 319 C VAL A 21 2.641 -2.117 11.446 1.00 0.00 C ATOM 320 O VAL A 21 2.774 -2.965 12.325 1.00 0.00 O ATOM 321 CB VAL A 21 4.457 -0.791 10.241 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.347 -0.769 11.497 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.391 -0.660 9.027 1.00 0.00 C ATOM 0 H VAL A 21 2.530 -1.267 8.641 1.00 0.00 H new ATOM 0 HA VAL A 21 4.274 -2.926 10.323 1.00 0.00 H new ATOM 0 HB VAL A 21 3.746 0.035 10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.954 0.136 11.497 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.719 -0.785 12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.998 -1.643 11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.958 0.268 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.079 -1.505 9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.799 -0.649 8.112 1.00 0.00 H new ATOM 333 N ASP A 22 1.680 -1.191 11.493 1.00 0.00 N ATOM 334 CA ASP A 22 0.690 -1.045 12.557 1.00 0.00 C ATOM 335 C ASP A 22 0.005 -2.375 12.849 1.00 0.00 C ATOM 336 O ASP A 22 0.102 -2.914 13.948 1.00 0.00 O ATOM 337 CB ASP A 22 -0.346 0.010 12.135 1.00 0.00 C ATOM 338 CG ASP A 22 -1.606 -0.037 12.998 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.511 0.393 14.166 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.634 -0.513 12.469 1.00 0.00 O ATOM 0 H ASP A 22 1.568 -0.493 10.757 1.00 0.00 H new ATOM 0 HA ASP A 22 1.191 -0.723 13.470 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.101 1.002 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.617 -0.148 11.091 1.00 0.00 H new ATOM 345 N GLU A 23 -0.720 -2.879 11.856 1.00 0.00 N ATOM 346 CA GLU A 23 -1.474 -4.114 11.983 1.00 0.00 C ATOM 347 C GLU A 23 -0.585 -5.293 12.377 1.00 0.00 C ATOM 348 O GLU A 23 -0.938 -6.063 13.273 1.00 0.00 O ATOM 349 CB GLU A 23 -2.180 -4.377 10.660 1.00 0.00 C ATOM 350 CG GLU A 23 -3.415 -5.256 10.847 1.00 0.00 C ATOM 351 CD GLU A 23 -3.127 -6.751 10.938 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.048 -7.167 10.459 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.026 -7.458 11.434 1.00 0.00 O ATOM 0 H GLU A 23 -0.799 -2.439 10.939 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.205 -4.006 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.472 -3.429 10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.490 -4.860 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.932 -4.944 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.097 -5.082 10.015 1.00 0.00 H new ATOM 360 N GLU A 24 0.569 -5.431 11.712 1.00 0.00 N ATOM 361 CA GLU A 24 1.584 -6.392 12.127 1.00 0.00 C ATOM 362 C GLU A 24 1.783 -6.265 13.630 1.00 0.00 C ATOM 363 O GLU A 24 1.701 -7.262 14.336 1.00 0.00 O ATOM 364 CB GLU A 24 2.899 -6.180 11.353 1.00 0.00 C ATOM 365 CG GLU A 24 4.117 -6.945 11.905 1.00 0.00 C ATOM 366 CD GLU A 24 4.670 -6.376 13.217 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.984 -5.166 13.254 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.756 -7.166 14.181 1.00 0.00 O ATOM 0 H GLU A 24 0.818 -4.887 10.886 1.00 0.00 H new ATOM 0 HA GLU A 24 1.252 -7.404 11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.743 -6.477 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.131 -5.115 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.838 -7.987 12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.908 -6.937 11.155 1.00 0.00 H new ATOM 375 N ASN A 25 2.050 -5.051 14.111 1.00 0.00 N ATOM 376 CA ASN A 25 2.315 -4.817 15.519 1.00 0.00 C ATOM 377 C ASN A 25 1.125 -5.240 16.376 1.00 0.00 C ATOM 378 O ASN A 25 1.314 -5.921 17.380 1.00 0.00 O ATOM 379 CB ASN A 25 2.708 -3.353 15.768 1.00 0.00 C ATOM 380 CG ASN A 25 4.079 -3.254 16.424 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.208 -2.778 17.546 1.00 0.00 O ATOM 382 ND2 ASN A 25 5.121 -3.698 15.725 1.00 0.00 N ATOM 0 H ASN A 25 2.087 -4.210 13.534 1.00 0.00 H new ATOM 0 HA ASN A 25 3.163 -5.435 15.815 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.714 -2.810 14.823 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.962 -2.877 16.405 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.060 -3.647 16.121 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.981 -4.089 14.793 1.00 0.00 H new ATOM 389 N LYS A 26 -0.096 -4.847 15.993 1.00 0.00 N ATOM 390 CA LYS A 26 -1.273 -5.184 16.779 1.00 0.00 C ATOM 391 C LYS A 26 -1.449 -6.701 16.935 1.00 0.00 C ATOM 392 O LYS A 26 -1.847 -7.148 18.008 1.00 0.00 O ATOM 393 CB LYS A 26 -2.510 -4.400 16.288 1.00 0.00 C ATOM 394 CG LYS A 26 -3.486 -5.092 15.321 1.00 0.00 C ATOM 395 CD LYS A 26 -4.403 -6.088 16.046 1.00 0.00 C ATOM 396 CE LYS A 26 -5.651 -6.449 15.231 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.617 -5.337 15.180 1.00 0.00 N ATOM 0 H LYS A 26 -0.287 -4.302 15.152 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.129 -4.846 17.805 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.077 -4.093 17.167 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.154 -3.490 15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.093 -4.339 14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.922 -5.614 14.548 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.843 -6.997 16.266 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.709 -5.663 17.002 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.356 -6.720 14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.129 -7.325 15.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.506 -5.669 14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.802 -4.994 16.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.225 -4.563 14.606 1.00 0.00 H new ATOM 411 N ILE A 27 -1.182 -7.497 15.886 1.00 0.00 N ATOM 412 CA ILE A 27 -1.314 -8.961 15.982 1.00 0.00 C ATOM 413 C ILE A 27 -0.025 -9.620 16.489 1.00 0.00 C ATOM 414 O ILE A 27 -0.044 -10.342 17.483 1.00 0.00 O ATOM 415 CB ILE A 27 -1.799 -9.598 14.659 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.212 -9.081 14.327 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.833 -11.131 14.810 1.00 0.00 C ATOM 418 CD1 ILE A 27 -3.924 -9.858 13.213 1.00 0.00 C ATOM 0 H ILE A 27 -0.878 -7.158 14.974 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.089 -9.153 16.724 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.116 -9.328 13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.822 -9.122 15.229 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.143 -8.033 14.036 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.175 -11.581 13.878 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.833 -11.496 15.044 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.516 -11.402 15.615 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.911 -9.428 13.043 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.339 -9.796 12.295 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.028 -10.902 13.507 1.00 0.00 H new ATOM 430 N GLY A 28 1.072 -9.447 15.754 1.00 0.00 N ATOM 431 CA GLY A 28 2.354 -10.084 16.012 1.00 0.00 C ATOM 432 C GLY A 28 2.453 -11.438 15.309 1.00 0.00 C ATOM 433 O GLY A 28 2.750 -12.445 15.946 1.00 0.00 O ATOM 0 H GLY A 28 1.089 -8.838 14.936 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.160 -9.435 15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.486 -10.219 17.086 1.00 0.00 H new ATOM 437 N GLN A 29 2.218 -11.470 13.991 1.00 0.00 N ATOM 438 CA GLN A 29 2.438 -12.679 13.194 1.00 0.00 C ATOM 439 C GLN A 29 3.928 -12.864 12.885 1.00 0.00 C ATOM 440 O GLN A 29 4.566 -13.777 13.400 1.00 0.00 O ATOM 441 CB GLN A 29 1.615 -12.642 11.894 1.00 0.00 C ATOM 442 CG GLN A 29 0.098 -12.674 12.107 1.00 0.00 C ATOM 443 CD GLN A 29 -0.395 -13.996 12.687 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.840 -14.871 11.954 1.00 0.00 O ATOM 445 NE2 GLN A 29 -0.332 -14.158 14.005 1.00 0.00 N ATOM 0 H GLN A 29 1.876 -10.672 13.456 1.00 0.00 H new ATOM 0 HA GLN A 29 2.102 -13.533 13.782 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.873 -11.740 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.901 -13.491 11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.187 -11.862 12.776 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.401 -12.493 11.155 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.043 -13.414 14.593 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.659 -15.027 14.428 1.00 0.00 H new ATOM 454 N TYR A 30 4.460 -12.018 12.000 1.00 0.00 N ATOM 455 CA TYR A 30 5.809 -12.145 11.452 1.00 0.00 C ATOM 456 C TYR A 30 6.790 -11.249 12.204 1.00 0.00 C ATOM 457 O TYR A 30 7.865 -11.700 12.590 1.00 0.00 O ATOM 458 CB TYR A 30 5.815 -11.855 9.937 1.00 0.00 C ATOM 459 CG TYR A 30 4.689 -10.980 9.416 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.482 -11.581 9.011 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.833 -9.582 9.330 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.421 -10.790 8.541 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.757 -8.791 8.898 1.00 0.00 C ATOM 464 CZ TYR A 30 2.571 -9.396 8.463 1.00 0.00 C ATOM 465 OH TYR A 30 1.589 -8.631 7.914 1.00 0.00 O ATOM 0 H TYR A 30 3.954 -11.210 11.638 1.00 0.00 H new ATOM 0 HA TYR A 30 6.139 -13.175 11.589 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.763 -11.380 9.683 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.783 -12.806 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.372 -12.654 9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.771 -9.118 9.596 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.492 -11.252 8.240 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.844 -7.714 8.901 1.00 0.00 H new ATOM 0 HH TYR A 30 1.908 -8.245 7.072 1.00 0.00 H new ATOM 475 N GLY A 31 6.426 -9.978 12.392 1.00 0.00 N ATOM 476 CA GLY A 31 7.322 -8.971 12.937 1.00 0.00 C ATOM 477 C GLY A 31 7.820 -8.078 11.806 1.00 0.00 C ATOM 478 O GLY A 31 8.264 -8.579 10.773 1.00 0.00 O ATOM 0 H GLY A 31 5.496 -9.623 12.168 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.804 -8.373 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.164 -9.449 13.437 1.00 0.00 H new ATOM 482 N ARG A 32 7.733 -6.757 11.982 1.00 0.00 N ATOM 483 CA ARG A 32 8.359 -5.805 11.083 1.00 0.00 C ATOM 484 C ARG A 32 9.769 -5.528 11.587 1.00 0.00 C ATOM 485 O ARG A 32 10.017 -5.552 12.792 1.00 0.00 O ATOM 486 CB ARG A 32 7.523 -4.520 10.962 1.00 0.00 C ATOM 487 CG ARG A 32 7.257 -4.146 9.500 1.00 0.00 C ATOM 488 CD ARG A 32 8.382 -3.358 8.813 1.00 0.00 C ATOM 489 NE ARG A 32 8.237 -3.427 7.352 1.00 0.00 N ATOM 490 CZ ARG A 32 8.526 -4.514 6.625 1.00 0.00 C ATOM 491 NH1 ARG A 32 9.012 -5.612 7.199 1.00 0.00 N ATOM 492 NH2 ARG A 32 8.325 -4.512 5.312 1.00 0.00 N ATOM 0 H ARG A 32 7.225 -6.325 12.754 1.00 0.00 H new ATOM 0 HA ARG A 32 8.416 -6.222 10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.574 -4.654 11.481 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.044 -3.700 11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.077 -5.060 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.341 -3.557 9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.358 -2.318 9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.350 -3.762 9.108 1.00 0.00 H new ATOM 0 HE ARG A 32 7.896 -2.599 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.169 -5.634 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.227 -6.432 6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.950 -3.681 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.546 -5.341 4.761 1.00 0.00 H new ATOM 506 N LEU A 33 10.687 -5.276 10.654 1.00 0.00 N ATOM 507 CA LEU A 33 12.021 -4.795 10.947 1.00 0.00 C ATOM 508 C LEU A 33 11.932 -3.284 11.220 1.00 0.00 C ATOM 509 O LEU A 33 10.992 -2.847 11.881 1.00 0.00 O ATOM 510 CB LEU A 33 12.968 -5.217 9.811 1.00 0.00 C ATOM 511 CG LEU A 33 12.854 -6.731 9.507 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.048 -7.023 8.234 1.00 0.00 C ATOM 513 CD2 LEU A 33 14.241 -7.342 9.324 1.00 0.00 C ATOM 0 H LEU A 33 10.513 -5.405 9.657 1.00 0.00 H new ATOM 0 HA LEU A 33 12.449 -5.238 11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 33 12.736 -4.646 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.995 -4.977 10.085 1.00 0.00 H new ATOM 0 HG LEU A 33 12.336 -7.170 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.002 -8.100 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.038 -6.629 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.531 -6.548 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.144 -8.407 9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.749 -6.850 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.822 -7.206 10.236 1.00 0.00 H new ATOM 525 N THR A 34 12.866 -2.465 10.728 1.00 0.00 N ATOM 526 CA THR A 34 12.818 -1.030 11.050 1.00 0.00 C ATOM 527 C THR A 34 11.828 -0.316 10.111 1.00 0.00 C ATOM 528 O THR A 34 11.396 -0.919 9.127 1.00 0.00 O ATOM 529 CB THR A 34 14.239 -0.440 11.072 1.00 0.00 C ATOM 530 OG1 THR A 34 14.210 0.884 11.563 1.00 0.00 O ATOM 531 CG2 THR A 34 14.941 -0.449 9.713 1.00 0.00 C ATOM 0 H THR A 34 13.639 -2.753 10.127 1.00 0.00 H new ATOM 0 HA THR A 34 12.431 -0.872 12.057 1.00 0.00 H new ATOM 0 HB THR A 34 14.815 -1.090 11.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.120 1.249 11.574 1.00 0.00 H new ATOM 0 HG21 THR A 34 15.936 -0.017 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.026 -1.475 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.362 0.138 9.000 1.00 0.00 H new ATOM 539 N PHE A 35 11.439 0.945 10.378 1.00 0.00 N ATOM 540 CA PHE A 35 10.656 1.713 9.427 1.00 0.00 C ATOM 541 C PHE A 35 11.552 2.087 8.247 1.00 0.00 C ATOM 542 O PHE A 35 12.068 3.199 8.195 1.00 0.00 O ATOM 543 CB PHE A 35 10.048 2.959 10.094 1.00 0.00 C ATOM 544 CG PHE A 35 8.622 2.778 10.576 1.00 0.00 C ATOM 545 CD1 PHE A 35 7.556 3.060 9.701 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.353 2.374 11.897 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.228 2.978 10.152 1.00 0.00 C ATOM 548 CE2 PHE A 35 7.024 2.305 12.353 1.00 0.00 C ATOM 549 CZ PHE A 35 5.963 2.613 11.482 1.00 0.00 C ATOM 0 H PHE A 35 11.659 1.440 11.242 1.00 0.00 H new ATOM 0 HA PHE A 35 9.821 1.112 9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.672 3.244 10.941 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.077 3.786 9.385 1.00 0.00 H new ATOM 0 HD1 PHE A 35 7.760 3.341 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.166 2.117 12.560 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.413 3.195 9.478 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.818 2.015 13.373 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.944 2.569 11.836 1.00 0.00 H new ATOM 559 N ASN A 36 11.751 1.152 7.312 1.00 0.00 N ATOM 560 CA ASN A 36 12.462 1.419 6.072 1.00 0.00 C ATOM 561 C ASN A 36 11.520 2.195 5.139 1.00 0.00 C ATOM 562 O ASN A 36 11.373 3.400 5.319 1.00 0.00 O ATOM 563 CB ASN A 36 13.102 0.134 5.493 1.00 0.00 C ATOM 564 CG ASN A 36 12.927 -1.077 6.406 1.00 0.00 C ATOM 565 OD1 ASN A 36 11.720 -1.638 6.453 1.00 0.00 O flip ATOM 566 ND2 ASN A 36 13.853 -1.496 7.094 1.00 0.00 N flip ATOM 0 H ASN A 36 11.421 0.191 7.400 1.00 0.00 H new ATOM 0 HA ASN A 36 13.329 2.059 6.234 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.657 -0.082 4.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.165 0.307 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.769 -1.051 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.706 -2.289 7.718 1.00 0.00 H new ATOM 573 N LYS A 37 10.859 1.542 4.176 1.00 0.00 N ATOM 574 CA LYS A 37 9.927 2.151 3.225 1.00 0.00 C ATOM 575 C LYS A 37 9.428 1.071 2.261 1.00 0.00 C ATOM 576 O LYS A 37 9.743 -0.105 2.431 1.00 0.00 O ATOM 577 CB LYS A 37 10.541 3.367 2.490 1.00 0.00 C ATOM 578 CG LYS A 37 11.912 3.109 1.841 1.00 0.00 C ATOM 579 CD LYS A 37 12.967 4.058 2.429 1.00 0.00 C ATOM 580 CE LYS A 37 14.312 3.926 1.712 1.00 0.00 C ATOM 581 NZ LYS A 37 15.329 4.793 2.333 1.00 0.00 N ATOM 0 H LYS A 37 10.964 0.537 4.034 1.00 0.00 H new ATOM 0 HA LYS A 37 9.076 2.555 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.846 3.695 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.640 4.189 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.211 2.074 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.844 3.253 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.614 5.086 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.098 3.844 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.645 2.889 1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.196 4.191 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.232 4.685 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.019 5.784 2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.455 4.522 3.329 1.00 0.00 H new ATOM 595 N VAL A 38 8.646 1.464 1.255 1.00 0.00 N ATOM 596 CA VAL A 38 8.154 0.613 0.182 1.00 0.00 C ATOM 597 C VAL A 38 8.735 1.124 -1.131 1.00 0.00 C ATOM 598 O VAL A 38 8.853 2.338 -1.301 1.00 0.00 O ATOM 599 CB VAL A 38 6.612 0.606 0.217 1.00 0.00 C ATOM 600 CG1 VAL A 38 6.003 2.003 0.001 1.00 0.00 C ATOM 601 CG2 VAL A 38 5.983 -0.363 -0.789 1.00 0.00 C ATOM 0 H VAL A 38 8.326 2.429 1.166 1.00 0.00 H new ATOM 0 HA VAL A 38 8.471 -0.423 0.297 1.00 0.00 H new ATOM 0 HB VAL A 38 6.374 0.263 1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.916 1.935 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.350 2.676 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.311 2.388 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.897 -0.316 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.285 -0.086 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.319 -1.378 -0.576 1.00 0.00 H new ATOM 611 N ILE A 39 9.134 0.227 -2.044 1.00 0.00 N ATOM 612 CA ILE A 39 9.574 0.691 -3.355 1.00 0.00 C ATOM 613 C ILE A 39 8.359 1.159 -4.164 1.00 0.00 C ATOM 614 O ILE A 39 7.220 0.860 -3.810 1.00 0.00 O ATOM 615 CB ILE A 39 10.404 -0.372 -4.087 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.599 -1.637 -4.411 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.662 -0.740 -3.283 1.00 0.00 C ATOM 618 CD1 ILE A 39 9.934 -2.132 -5.816 1.00 0.00 C ATOM 0 H ILE A 39 9.160 -0.783 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 39 10.242 1.543 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 39 10.702 0.075 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.822 -2.415 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.532 -1.426 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.232 -1.495 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.278 0.149 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.369 -1.135 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.356 -3.030 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.688 -1.358 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.998 -2.362 -5.877 1.00 0.00 H new ATOM 630 N ARG A 40 8.596 1.894 -5.251 1.00 0.00 N ATOM 631 CA ARG A 40 7.574 2.469 -6.107 1.00 0.00 C ATOM 632 C ARG A 40 8.236 2.730 -7.468 1.00 0.00 C ATOM 633 O ARG A 40 9.465 2.815 -7.514 1.00 0.00 O ATOM 634 CB ARG A 40 7.045 3.771 -5.473 1.00 0.00 C ATOM 635 CG ARG A 40 5.716 3.603 -4.712 1.00 0.00 C ATOM 636 CD ARG A 40 5.684 4.534 -3.492 1.00 0.00 C ATOM 637 NE ARG A 40 4.377 4.527 -2.812 1.00 0.00 N ATOM 638 CZ ARG A 40 4.112 5.221 -1.691 1.00 0.00 C ATOM 639 NH1 ARG A 40 5.076 5.941 -1.109 1.00 0.00 N ATOM 640 NH2 ARG A 40 2.889 5.200 -1.148 1.00 0.00 N ATOM 0 H ARG A 40 9.542 2.110 -5.566 1.00 0.00 H new ATOM 0 HA ARG A 40 6.720 1.802 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.797 4.161 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.911 4.516 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.879 3.828 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.600 2.568 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.458 4.231 -2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.920 5.550 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 40 3.629 3.963 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.011 5.964 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.876 6.468 -0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.146 4.654 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.699 5.730 -0.298 1.00 0.00 H new ATOM 654 N PRO A 41 7.467 2.874 -8.560 1.00 0.00 N ATOM 655 CA PRO A 41 6.026 2.689 -8.618 1.00 0.00 C ATOM 656 C PRO A 41 5.685 1.206 -8.465 1.00 0.00 C ATOM 657 O PRO A 41 6.508 0.345 -8.773 1.00 0.00 O ATOM 658 CB PRO A 41 5.610 3.219 -9.992 1.00 0.00 C ATOM 659 CG PRO A 41 6.839 2.931 -10.856 1.00 0.00 C ATOM 660 CD PRO A 41 8.003 3.146 -9.884 1.00 0.00 C ATOM 0 HA PRO A 41 5.502 3.213 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.723 2.711 -10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.378 4.284 -9.961 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.825 1.915 -11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.898 3.604 -11.711 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.834 2.479 -10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.385 4.165 -9.950 1.00 0.00 H new ATOM 668 N CYS A 42 4.487 0.920 -7.952 1.00 0.00 N ATOM 669 CA CYS A 42 4.025 -0.452 -7.706 1.00 0.00 C ATOM 670 C CYS A 42 2.753 -0.691 -8.529 1.00 0.00 C ATOM 671 O CYS A 42 2.371 0.185 -9.308 1.00 0.00 O ATOM 672 CB CYS A 42 3.899 -0.686 -6.188 1.00 0.00 C ATOM 673 SG CYS A 42 5.531 -1.140 -5.531 1.00 0.00 S ATOM 0 H CYS A 42 3.806 1.634 -7.694 1.00 0.00 H new ATOM 0 HA CYS A 42 4.740 -1.203 -8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.531 0.214 -5.696 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.177 -1.477 -5.986 1.00 0.00 H new ATOM 0 HG CYS A 42 6.021 -0.141 -4.858 1.00 0.00 H new ATOM 679 N MET A 43 2.109 -1.860 -8.416 1.00 0.00 N ATOM 680 CA MET A 43 1.036 -2.244 -9.331 1.00 0.00 C ATOM 681 C MET A 43 -0.184 -2.739 -8.549 1.00 0.00 C ATOM 682 O MET A 43 -0.050 -3.247 -7.435 1.00 0.00 O ATOM 683 CB MET A 43 1.564 -3.326 -10.288 1.00 0.00 C ATOM 684 CG MET A 43 0.916 -3.239 -11.679 1.00 0.00 C ATOM 685 SD MET A 43 1.791 -2.236 -12.908 1.00 0.00 S ATOM 686 CE MET A 43 3.144 -3.364 -13.325 1.00 0.00 C ATOM 0 H MET A 43 2.316 -2.554 -7.698 1.00 0.00 H new ATOM 0 HA MET A 43 0.718 -1.379 -9.913 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.645 -3.226 -10.386 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.373 -4.311 -9.861 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.813 -4.250 -12.073 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.091 -2.838 -11.563 1.00 0.00 H new ATOM 0 HE1 MET A 43 3.785 -2.901 -14.075 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.728 -3.578 -12.430 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.734 -4.293 -13.721 1.00 0.00 H new ATOM 696 N LYS A 44 -1.380 -2.614 -9.128 1.00 0.00 N ATOM 697 CA LYS A 44 -2.597 -3.170 -8.549 1.00 0.00 C ATOM 698 C LYS A 44 -3.435 -3.829 -9.640 1.00 0.00 C ATOM 699 O LYS A 44 -3.146 -3.613 -10.812 1.00 0.00 O ATOM 700 CB LYS A 44 -3.370 -2.064 -7.823 1.00 0.00 C ATOM 701 CG LYS A 44 -3.975 -1.001 -8.754 1.00 0.00 C ATOM 702 CD LYS A 44 -5.110 -0.278 -8.020 1.00 0.00 C ATOM 703 CE LYS A 44 -5.941 0.570 -8.988 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.136 1.117 -8.321 1.00 0.00 N ATOM 0 H LYS A 44 -1.528 -2.124 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.346 -3.938 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.171 -2.519 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.701 -1.573 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.209 -0.287 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.353 -1.469 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.752 -1.008 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.695 0.358 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.332 1.386 -9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.243 -0.037 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.681 1.687 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.727 0.336 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.844 1.715 -7.521 1.00 0.00 H new ATOM 718 N LYS A 45 -4.479 -4.577 -9.265 1.00 0.00 N ATOM 719 CA LYS A 45 -5.474 -5.142 -10.174 1.00 0.00 C ATOM 720 C LYS A 45 -6.721 -5.521 -9.378 1.00 0.00 C ATOM 721 O LYS A 45 -6.798 -5.202 -8.192 1.00 0.00 O ATOM 722 CB LYS A 45 -4.904 -6.352 -10.936 1.00 0.00 C ATOM 723 CG LYS A 45 -4.816 -7.688 -10.175 1.00 0.00 C ATOM 724 CD LYS A 45 -3.841 -7.656 -8.994 1.00 0.00 C ATOM 725 CE LYS A 45 -3.638 -9.079 -8.460 1.00 0.00 C ATOM 726 NZ LYS A 45 -2.546 -9.143 -7.473 1.00 0.00 N ATOM 0 H LYS A 45 -4.657 -4.811 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.744 -4.396 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.515 -6.510 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.903 -6.093 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.808 -7.955 -9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.510 -8.472 -10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.886 -7.234 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.230 -7.012 -8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.563 -9.431 -8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.418 -9.751 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.758 -9.699 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.217 -8.181 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.891 -9.595 -6.602 1.00 0.00 H new ATOM 740 N THR A 46 -7.669 -6.232 -10.002 1.00 0.00 N ATOM 741 CA THR A 46 -8.752 -6.896 -9.288 1.00 0.00 C ATOM 742 C THR A 46 -8.590 -8.403 -9.470 1.00 0.00 C ATOM 743 O THR A 46 -8.311 -8.857 -10.579 1.00 0.00 O ATOM 744 CB THR A 46 -10.129 -6.338 -9.701 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.966 -6.222 -8.571 1.00 0.00 O ATOM 746 CG2 THR A 46 -10.853 -7.174 -10.758 1.00 0.00 C ATOM 0 H THR A 46 -7.701 -6.359 -11.014 1.00 0.00 H new ATOM 0 HA THR A 46 -8.699 -6.689 -8.219 1.00 0.00 H new ATOM 0 HB THR A 46 -9.924 -5.364 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.747 -6.928 -7.928 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.813 -6.713 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.245 -7.225 -11.661 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.018 -8.181 -10.375 1.00 0.00 H new ATOM 754 N ILE A 47 -8.699 -9.175 -8.385 1.00 0.00 N ATOM 755 CA ILE A 47 -8.534 -10.618 -8.433 1.00 0.00 C ATOM 756 C ILE A 47 -9.872 -11.320 -8.668 1.00 0.00 C ATOM 757 O ILE A 47 -10.896 -10.994 -8.063 1.00 0.00 O ATOM 758 CB ILE A 47 -7.816 -11.154 -7.182 1.00 0.00 C ATOM 759 CG1 ILE A 47 -7.671 -12.686 -7.276 1.00 0.00 C ATOM 760 CG2 ILE A 47 -8.567 -10.779 -5.907 1.00 0.00 C ATOM 761 CD1 ILE A 47 -6.693 -13.261 -6.245 1.00 0.00 C ATOM 0 H ILE A 47 -8.904 -8.812 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.892 -10.846 -9.284 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.827 -10.697 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.649 -13.147 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.333 -12.952 -8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.034 -11.173 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.633 -9.694 -5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.571 -11.203 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.635 -14.343 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.705 -12.826 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.042 -13.023 -5.240 1.00 0.00 H new ATOM 773 N TYR A 48 -9.816 -12.331 -9.530 1.00 0.00 N ATOM 774 CA TYR A 48 -10.859 -13.304 -9.784 1.00 0.00 C ATOM 775 C TYR A 48 -10.484 -14.627 -9.115 1.00 0.00 C ATOM 776 O TYR A 48 -9.302 -14.907 -8.928 1.00 0.00 O ATOM 777 CB TYR A 48 -10.972 -13.475 -11.304 1.00 0.00 C ATOM 778 CG TYR A 48 -11.252 -12.183 -12.056 1.00 0.00 C ATOM 779 CD1 TYR A 48 -12.235 -11.306 -11.573 1.00 0.00 C ATOM 780 CD2 TYR A 48 -10.431 -11.781 -13.129 1.00 0.00 C ATOM 781 CE1 TYR A 48 -12.418 -10.041 -12.162 1.00 0.00 C ATOM 782 CE2 TYR A 48 -10.622 -10.523 -13.729 1.00 0.00 C ATOM 783 CZ TYR A 48 -11.615 -9.654 -13.246 1.00 0.00 C ATOM 784 OH TYR A 48 -11.798 -8.443 -13.843 1.00 0.00 O ATOM 0 H TYR A 48 -8.988 -12.498 -10.102 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.816 -12.976 -9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.045 -13.908 -11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.767 -14.188 -11.520 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -12.857 -11.604 -10.742 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.655 -12.439 -13.491 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.174 -9.370 -11.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.004 -10.224 -14.563 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.155 -8.339 -14.575 1.00 0.00 H new ATOM 923 N LYS A 57 -13.164 -11.804 -5.514 1.00 0.00 N ATOM 924 CA LYS A 57 -12.822 -11.395 -4.159 1.00 0.00 C ATOM 925 C LYS A 57 -12.871 -9.874 -4.045 1.00 0.00 C ATOM 926 O LYS A 57 -13.526 -9.353 -3.147 1.00 0.00 O ATOM 927 CB LYS A 57 -11.455 -11.953 -3.743 1.00 0.00 C ATOM 928 CG LYS A 57 -11.448 -12.502 -2.307 1.00 0.00 C ATOM 929 CD LYS A 57 -11.812 -11.448 -1.249 1.00 0.00 C ATOM 930 CE LYS A 57 -11.787 -12.038 0.166 1.00 0.00 C ATOM 931 NZ LYS A 57 -10.442 -12.498 0.556 1.00 0.00 N ATOM 0 HA LYS A 57 -13.558 -11.810 -3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.167 -12.747 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.705 -11.167 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.152 -13.332 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.459 -12.903 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.112 -10.614 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.804 -11.047 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.132 -11.287 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.485 -12.874 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.426 -12.698 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.205 -13.363 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.745 -11.758 0.337 1.00 0.00 H new ATOM 945 N GLY A 58 -12.184 -9.162 -4.945 1.00 0.00 N ATOM 946 CA GLY A 58 -12.106 -7.711 -4.912 1.00 0.00 C ATOM 947 C GLY A 58 -10.820 -7.215 -5.553 1.00 0.00 C ATOM 948 O GLY A 58 -10.274 -7.857 -6.454 1.00 0.00 O ATOM 0 H GLY A 58 -11.667 -9.584 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.963 -7.286 -5.434 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.158 -7.365 -3.880 1.00 0.00 H new ATOM 952 N TYR A 59 -10.365 -6.046 -5.103 1.00 0.00 N ATOM 953 CA TYR A 59 -9.143 -5.417 -5.564 1.00 0.00 C ATOM 954 C TYR A 59 -7.947 -6.073 -4.889 1.00 0.00 C ATOM 955 O TYR A 59 -8.099 -6.640 -3.811 1.00 0.00 O ATOM 956 CB TYR A 59 -9.207 -3.908 -5.294 1.00 0.00 C ATOM 957 CG TYR A 59 -10.036 -3.178 -6.329 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.480 -2.985 -7.603 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.387 -2.859 -6.103 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.258 -2.479 -8.655 1.00 0.00 C ATOM 961 CE2 TYR A 59 -12.168 -2.343 -7.153 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.611 -2.176 -8.434 1.00 0.00 C ATOM 963 OH TYR A 59 -12.383 -1.712 -9.456 1.00 0.00 O ATOM 0 H TYR A 59 -10.853 -5.503 -4.391 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.030 -5.553 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.630 -3.735 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.197 -3.499 -5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.442 -3.229 -7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.823 -3.010 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.819 -2.323 -9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.199 -2.074 -6.975 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.294 -1.554 -9.132 1.00 0.00 H new ATOM 973 N GLU A 60 -6.767 -6.004 -5.505 1.00 0.00 N ATOM 974 CA GLU A 60 -5.516 -6.353 -4.876 1.00 0.00 C ATOM 975 C GLU A 60 -4.480 -5.307 -5.285 1.00 0.00 C ATOM 976 O GLU A 60 -4.424 -4.925 -6.453 1.00 0.00 O ATOM 977 CB GLU A 60 -5.058 -7.752 -5.296 1.00 0.00 C ATOM 978 CG GLU A 60 -5.212 -8.774 -4.161 1.00 0.00 C ATOM 979 CD GLU A 60 -4.534 -10.109 -4.449 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.526 -10.509 -5.632 1.00 0.00 O ATOM 981 OE2 GLU A 60 -4.024 -10.703 -3.474 1.00 0.00 O ATOM 0 H GLU A 60 -6.664 -5.697 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.638 -6.367 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.638 -8.079 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.015 -7.713 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.795 -8.354 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.273 -8.946 -3.979 1.00 0.00 H new ATOM 988 N TYR A 61 -3.651 -4.888 -4.332 1.00 0.00 N ATOM 989 CA TYR A 61 -2.533 -3.979 -4.535 1.00 0.00 C ATOM 990 C TYR A 61 -1.270 -4.776 -4.245 1.00 0.00 C ATOM 991 O TYR A 61 -1.095 -5.209 -3.106 1.00 0.00 O ATOM 992 CB TYR A 61 -2.639 -2.789 -3.574 1.00 0.00 C ATOM 993 CG TYR A 61 -3.978 -2.081 -3.577 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.986 -2.503 -2.692 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.211 -0.986 -4.429 1.00 0.00 C ATOM 996 CE1 TYR A 61 -6.226 -1.847 -2.676 1.00 0.00 C ATOM 997 CE2 TYR A 61 -5.464 -0.350 -4.431 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.482 -0.798 -3.575 1.00 0.00 C ATOM 999 OH TYR A 61 -7.717 -0.228 -3.644 1.00 0.00 O ATOM 0 H TYR A 61 -3.746 -5.186 -3.361 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.525 -3.584 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.432 -3.139 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.863 -2.067 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.806 -3.332 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.426 -0.634 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.986 -2.149 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.644 0.485 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.354 -0.765 -3.129 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.424 -4.993 -5.257 1.00 0.00 N ATOM 1010 CA GLN A 62 0.831 -5.711 -5.117 1.00 0.00 C ATOM 1011 C GLN A 62 1.950 -4.686 -5.014 1.00 0.00 C ATOM 1012 O GLN A 62 2.323 -4.057 -6.006 1.00 0.00 O ATOM 1013 CB GLN A 62 1.044 -6.656 -6.304 1.00 0.00 C ATOM 1014 CG GLN A 62 2.340 -7.459 -6.118 1.00 0.00 C ATOM 1015 CD GLN A 62 2.471 -8.586 -7.132 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.337 -8.550 -8.005 1.00 0.00 O ATOM 1017 NE2 GLN A 62 1.632 -9.608 -7.014 1.00 0.00 N ATOM 0 H GLN A 62 -0.601 -4.667 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 62 0.819 -6.328 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.196 -7.336 -6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.093 -6.083 -7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.196 -6.790 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.366 -7.875 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.926 -9.606 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.694 -10.396 -7.659 1.00 0.00 H new ATOM 1026 N LEU A 63 2.491 -4.529 -3.808 1.00 0.00 N ATOM 1027 CA LEU A 63 3.592 -3.630 -3.547 1.00 0.00 C ATOM 1028 C LEU A 63 4.698 -4.397 -2.835 1.00 0.00 C ATOM 1029 O LEU A 63 4.449 -5.389 -2.155 1.00 0.00 O ATOM 1030 CB LEU A 63 3.096 -2.360 -2.835 1.00 0.00 C ATOM 1031 CG LEU A 63 2.200 -2.580 -1.600 1.00 0.00 C ATOM 1032 CD1 LEU A 63 3.017 -2.758 -0.319 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.280 -1.365 -1.425 1.00 0.00 C ATOM 0 H LEU A 63 2.168 -5.032 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 63 4.034 -3.260 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.965 -1.777 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.545 -1.756 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 63 1.626 -3.491 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.343 -2.910 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.671 -3.624 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.620 -1.867 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.643 -1.514 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.884 -0.469 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.658 -1.248 -2.313 1.00 0.00 H new ATOM 1045 N TYR A 64 5.940 -3.985 -3.065 1.00 0.00 N ATOM 1046 CA TYR A 64 7.118 -4.659 -2.576 1.00 0.00 C ATOM 1047 C TYR A 64 7.708 -3.770 -1.486 1.00 0.00 C ATOM 1048 O TYR A 64 8.282 -2.717 -1.774 1.00 0.00 O ATOM 1049 CB TYR A 64 8.044 -4.869 -3.770 1.00 0.00 C ATOM 1050 CG TYR A 64 7.549 -5.913 -4.756 1.00 0.00 C ATOM 1051 CD1 TYR A 64 6.598 -5.569 -5.737 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.989 -7.245 -4.654 1.00 0.00 C ATOM 1053 CE1 TYR A 64 6.056 -6.559 -6.576 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.474 -8.227 -5.520 1.00 0.00 C ATOM 1055 CZ TYR A 64 6.479 -7.893 -6.451 1.00 0.00 C ATOM 1056 OH TYR A 64 5.867 -8.881 -7.164 1.00 0.00 O ATOM 0 H TYR A 64 6.151 -3.150 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 64 6.928 -5.639 -2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.168 -3.920 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.028 -5.164 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.284 -4.541 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.724 -7.514 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.315 -6.294 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.845 -9.240 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 64 4.989 -8.569 -7.468 1.00 0.00 H new ATOM 1066 N VAL A 65 7.497 -4.153 -0.224 1.00 0.00 N ATOM 1067 CA VAL A 65 7.950 -3.354 0.893 1.00 0.00 C ATOM 1068 C VAL A 65 9.414 -3.692 1.185 1.00 0.00 C ATOM 1069 O VAL A 65 9.808 -4.861 1.190 1.00 0.00 O ATOM 1070 CB VAL A 65 6.968 -3.449 2.068 1.00 0.00 C ATOM 1071 CG1 VAL A 65 6.854 -4.857 2.655 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.296 -2.371 3.111 1.00 0.00 C ATOM 0 H VAL A 65 7.015 -5.012 0.039 1.00 0.00 H new ATOM 0 HA VAL A 65 7.946 -2.290 0.658 1.00 0.00 H new ATOM 0 HB VAL A 65 5.967 -3.248 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.143 -4.850 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.508 -5.546 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.830 -5.180 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.595 -2.444 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.312 -2.517 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.214 -1.385 2.653 1.00 0.00 H new ATOM 1082 N TYR A 66 10.233 -2.654 1.362 1.00 0.00 N ATOM 1083 CA TYR A 66 11.664 -2.767 1.551 1.00 0.00 C ATOM 1084 C TYR A 66 11.901 -2.908 3.046 1.00 0.00 C ATOM 1085 O TYR A 66 11.416 -2.071 3.809 1.00 0.00 O ATOM 1086 CB TYR A 66 12.336 -1.502 0.994 1.00 0.00 C ATOM 1087 CG TYR A 66 13.825 -1.610 0.754 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.268 -2.512 -0.221 1.00 0.00 C ATOM 1089 CD2 TYR A 66 14.733 -0.699 1.327 1.00 0.00 C ATOM 1090 CE1 TYR A 66 15.614 -2.528 -0.618 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.086 -0.715 0.933 1.00 0.00 C ATOM 1092 CZ TYR A 66 16.518 -1.616 -0.057 1.00 0.00 C ATOM 1093 OH TYR A 66 17.796 -1.577 -0.523 1.00 0.00 O ATOM 0 H TYR A 66 9.902 -1.689 1.377 1.00 0.00 H new ATOM 0 HA TYR A 66 12.084 -3.627 1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.852 -1.238 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.156 -0.680 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.568 -3.201 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.393 0.011 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.952 -3.242 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.790 -0.036 1.391 1.00 0.00 H new ATOM 0 HH TYR A 66 18.421 -1.643 0.229 1.00 0.00 H new ATOM 1103 N ALA A 67 12.605 -3.955 3.480 1.00 0.00 N ATOM 1104 CA ALA A 67 12.893 -4.156 4.892 1.00 0.00 C ATOM 1105 C ALA A 67 14.022 -5.156 5.046 1.00 0.00 C ATOM 1106 O ALA A 67 14.179 -6.022 4.193 1.00 0.00 O ATOM 1107 CB ALA A 67 11.641 -4.623 5.631 1.00 0.00 C ATOM 0 H ALA A 67 12.985 -4.677 2.867 1.00 0.00 H new ATOM 0 HA ALA A 67 13.206 -3.209 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.874 -4.769 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.859 -3.871 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.295 -5.564 5.203 1.00 0.00 H new ATOM 1113 N SER A 68 14.852 -5.026 6.089 1.00 0.00 N ATOM 1114 CA SER A 68 16.059 -5.854 6.200 1.00 0.00 C ATOM 1115 C SER A 68 17.040 -5.637 5.028 1.00 0.00 C ATOM 1116 O SER A 68 17.964 -6.422 4.850 1.00 0.00 O ATOM 1117 CB SER A 68 15.666 -7.344 6.281 1.00 0.00 C ATOM 1118 OG SER A 68 16.583 -8.092 7.057 1.00 0.00 O ATOM 0 H SER A 68 14.714 -4.367 6.856 1.00 0.00 H new ATOM 0 HA SER A 68 16.573 -5.550 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.669 -7.433 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.617 -7.761 5.275 1.00 0.00 H new ATOM 0 HG SER A 68 16.299 -9.029 7.086 1.00 0.00 H new ATOM 1124 N ASP A 69 16.825 -4.603 4.203 1.00 0.00 N ATOM 1125 CA ASP A 69 17.485 -4.400 2.916 1.00 0.00 C ATOM 1126 C ASP A 69 17.190 -5.552 1.934 1.00 0.00 C ATOM 1127 O ASP A 69 17.919 -5.751 0.967 1.00 0.00 O ATOM 1128 CB ASP A 69 18.982 -4.133 3.129 1.00 0.00 C ATOM 1129 CG ASP A 69 19.684 -3.615 1.878 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.313 -2.501 1.449 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.599 -4.316 1.395 1.00 0.00 O ATOM 0 H ASP A 69 16.162 -3.861 4.426 1.00 0.00 H new ATOM 0 HA ASP A 69 17.071 -3.512 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.104 -3.407 3.933 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.466 -5.054 3.454 1.00 0.00 H new ATOM 1136 N LYS A 70 16.098 -6.291 2.168 1.00 0.00 N ATOM 1137 CA LYS A 70 15.512 -7.268 1.261 1.00 0.00 C ATOM 1138 C LYS A 70 14.151 -6.715 0.825 1.00 0.00 C ATOM 1139 O LYS A 70 13.651 -5.741 1.399 1.00 0.00 O ATOM 1140 CB LYS A 70 15.313 -8.624 1.965 1.00 0.00 C ATOM 1141 CG LYS A 70 16.567 -9.504 2.080 1.00 0.00 C ATOM 1142 CD LYS A 70 17.618 -8.926 3.033 1.00 0.00 C ATOM 1143 CE LYS A 70 18.655 -9.962 3.478 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.077 -10.946 4.411 1.00 0.00 N ATOM 0 H LYS A 70 15.578 -6.214 3.042 1.00 0.00 H new ATOM 0 HA LYS A 70 16.171 -7.431 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.928 -8.439 2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.547 -9.183 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.277 -10.496 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.009 -9.628 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.128 -8.097 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.119 -8.519 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.052 -10.479 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.493 -9.456 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.841 -11.502 4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.544 -10.449 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.438 -11.582 3.893 1.00 0.00 H new ATOM 1158 N LEU A 71 13.549 -7.345 -0.188 1.00 0.00 N ATOM 1159 CA LEU A 71 12.208 -7.025 -0.644 1.00 0.00 C ATOM 1160 C LEU A 71 11.281 -8.098 -0.081 1.00 0.00 C ATOM 1161 O LEU A 71 11.461 -9.287 -0.348 1.00 0.00 O ATOM 1162 CB LEU A 71 12.149 -6.998 -2.179 1.00 0.00 C ATOM 1163 CG LEU A 71 12.677 -5.708 -2.824 1.00 0.00 C ATOM 1164 CD1 LEU A 71 11.716 -4.527 -2.636 1.00 0.00 C ATOM 1165 CD2 LEU A 71 14.104 -5.377 -2.380 1.00 0.00 C ATOM 0 H LEU A 71 13.990 -8.099 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 71 11.905 -6.036 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.722 -7.841 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.115 -7.146 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 71 12.726 -5.896 -3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.134 -3.639 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.755 -4.764 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.575 -4.338 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.431 -4.457 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.127 -5.247 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.771 -6.192 -2.662 1.00 0.00 H new ATOM 1177 N PHE A 72 10.290 -7.675 0.702 1.00 0.00 N ATOM 1178 CA PHE A 72 9.224 -8.529 1.178 1.00 0.00 C ATOM 1179 C PHE A 72 7.993 -8.166 0.352 1.00 0.00 C ATOM 1180 O PHE A 72 7.602 -6.998 0.288 1.00 0.00 O ATOM 1181 CB PHE A 72 9.049 -8.295 2.679 1.00 0.00 C ATOM 1182 CG PHE A 72 10.124 -8.945 3.529 1.00 0.00 C ATOM 1183 CD1 PHE A 72 10.006 -10.282 3.955 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.280 -8.218 3.842 1.00 0.00 C ATOM 1185 CE1 PHE A 72 11.032 -10.868 4.718 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.311 -8.799 4.601 1.00 0.00 C ATOM 1187 CZ PHE A 72 12.183 -10.127 5.043 1.00 0.00 C ATOM 0 H PHE A 72 10.212 -6.710 1.024 1.00 0.00 H new ATOM 0 HA PHE A 72 9.424 -9.594 1.057 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.045 -7.222 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.076 -8.677 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.129 -10.857 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.380 -7.200 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.936 -11.889 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.196 -8.229 4.843 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.968 -10.578 5.632 1.00 0.00 H new ATOM 1197 N ARG A 73 7.416 -9.150 -0.340 1.00 0.00 N ATOM 1198 CA ARG A 73 6.256 -8.927 -1.177 1.00 0.00 C ATOM 1199 C ARG A 73 5.080 -8.617 -0.257 1.00 0.00 C ATOM 1200 O ARG A 73 4.945 -9.251 0.788 1.00 0.00 O ATOM 1201 CB ARG A 73 5.989 -10.178 -2.025 1.00 0.00 C ATOM 1202 CG ARG A 73 5.108 -9.861 -3.238 1.00 0.00 C ATOM 1203 CD ARG A 73 4.756 -11.145 -4.000 1.00 0.00 C ATOM 1204 NE ARG A 73 4.650 -10.903 -5.445 1.00 0.00 N ATOM 1205 CZ ARG A 73 4.187 -11.789 -6.339 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.649 -12.947 -5.938 1.00 0.00 N ATOM 1207 NH2 ARG A 73 4.283 -11.504 -7.640 1.00 0.00 N ATOM 0 H ARG A 73 7.744 -10.116 -0.330 1.00 0.00 H new ATOM 0 HA ARG A 73 6.413 -8.093 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.936 -10.598 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.504 -10.937 -1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.195 -9.364 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.628 -9.169 -3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.518 -11.901 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.813 -11.544 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 73 4.951 -9.993 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.588 -13.163 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.300 -13.613 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.703 -10.624 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.936 -12.166 -8.334 1.00 0.00 H new ATOM 1221 N ALA A 74 4.228 -7.658 -0.611 1.00 0.00 N ATOM 1222 CA ALA A 74 3.026 -7.382 0.150 1.00 0.00 C ATOM 1223 C ALA A 74 1.855 -7.139 -0.804 1.00 0.00 C ATOM 1224 O ALA A 74 1.780 -6.108 -1.470 1.00 0.00 O ATOM 1225 CB ALA A 74 3.279 -6.258 1.156 1.00 0.00 C ATOM 0 H ALA A 74 4.355 -7.059 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 74 2.744 -8.245 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.367 -6.062 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.073 -6.555 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.578 -5.354 0.625 1.00 0.00 H new ATOM 1231 N ASP A 75 0.948 -8.118 -0.875 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.273 -8.043 -1.652 1.00 0.00 C ATOM 1233 C ASP A 75 -1.397 -7.792 -0.659 1.00 0.00 C ATOM 1234 O ASP A 75 -1.703 -8.686 0.119 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.514 -9.356 -2.414 1.00 0.00 C ATOM 1236 CG ASP A 75 0.460 -9.543 -3.574 1.00 0.00 C ATOM 1237 OD1 ASP A 75 1.646 -9.811 -3.287 1.00 0.00 O ATOM 1238 OD2 ASP A 75 0.006 -9.418 -4.734 1.00 0.00 O ATOM 0 H ASP A 75 1.054 -9.002 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.216 -7.248 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.420 -10.195 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.535 -9.370 -2.795 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.008 -6.609 -0.642 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.229 -6.414 0.139 1.00 0.00 C ATOM 1245 C ILE A 76 -4.398 -6.659 -0.800 1.00 0.00 C ATOM 1246 O ILE A 76 -4.406 -6.099 -1.892 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.263 -5.018 0.777 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.292 -4.932 1.967 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.682 -4.599 1.203 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.586 -5.944 3.082 1.00 0.00 C ATOM 0 H ILE A 76 -1.686 -5.785 -1.149 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.278 -7.112 0.975 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.939 -4.315 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.275 -5.089 1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.331 -3.925 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.650 -3.605 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.335 -4.585 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.068 -5.311 1.933 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.860 -5.822 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.590 -5.775 3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.518 -6.956 2.682 1.00 0.00 H new ATOM 1262 N SER A 77 -5.351 -7.495 -0.377 1.00 0.00 N ATOM 1263 CA SER A 77 -6.567 -7.818 -1.106 1.00 0.00 C ATOM 1264 C SER A 77 -7.712 -7.058 -0.458 1.00 0.00 C ATOM 1265 O SER A 77 -7.623 -6.741 0.727 1.00 0.00 O ATOM 1266 CB SER A 77 -6.808 -9.330 -1.061 1.00 0.00 C ATOM 1267 OG SER A 77 -7.887 -9.720 -1.894 1.00 0.00 O ATOM 0 H SER A 77 -5.288 -7.981 0.518 1.00 0.00 H new ATOM 0 HA SER A 77 -6.485 -7.528 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.903 -9.851 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.014 -9.634 -0.035 1.00 0.00 H new ATOM 0 HG SER A 77 -8.008 -10.691 -1.839 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.785 -6.791 -1.208 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.975 -6.154 -0.699 1.00 0.00 C ATOM 1275 C GLU A 78 -11.204 -7.034 -0.854 1.00 0.00 C ATOM 1276 O GLU A 78 -11.185 -8.011 -1.600 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.197 -4.811 -1.395 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.134 -3.793 -0.984 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.680 -2.382 -1.152 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.350 -1.928 -0.200 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.442 -1.792 -2.228 1.00 0.00 O ATOM 0 H GLU A 78 -8.839 -7.020 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.824 -5.987 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.172 -4.950 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.187 -4.428 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.840 -3.958 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.239 -3.922 -1.593 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.269 -6.642 -0.151 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.589 -7.245 -0.249 1.00 0.00 C ATOM 1290 C ASP A 79 -14.487 -6.430 -1.187 1.00 0.00 C ATOM 1291 O ASP A 79 -15.073 -5.430 -0.767 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.210 -7.358 1.149 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.593 -8.008 1.132 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.008 -8.489 0.054 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.220 -8.001 2.212 1.00 0.00 O ATOM 0 H ASP A 79 -12.230 -5.874 0.519 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.494 -8.246 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.548 -7.940 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.286 -6.364 1.589 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.624 -6.913 -2.427 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.578 -6.509 -3.461 1.00 0.00 C ATOM 1302 C TYR A 80 -16.903 -5.998 -2.893 1.00 0.00 C ATOM 1303 O TYR A 80 -17.429 -4.993 -3.365 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.845 -7.728 -4.362 1.00 0.00 C ATOM 1305 CG TYR A 80 -17.020 -7.627 -5.318 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -17.223 -6.466 -6.090 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.923 -8.702 -5.427 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -18.362 -6.352 -6.906 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -19.052 -8.594 -6.257 1.00 0.00 C ATOM 1310 CZ TYR A 80 -19.284 -7.412 -6.978 1.00 0.00 C ATOM 1311 OH TYR A 80 -20.403 -7.298 -7.747 1.00 0.00 O ATOM 0 H TYR A 80 -14.016 -7.662 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.140 -5.680 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.946 -7.921 -4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.001 -8.596 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -16.502 -5.662 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -17.748 -9.611 -4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -18.529 -5.451 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.742 -9.421 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.929 -8.122 -7.683 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.454 -6.704 -1.901 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.747 -6.396 -1.307 1.00 0.00 C ATOM 1323 C LYS A 81 -18.854 -4.933 -0.856 1.00 0.00 C ATOM 1324 O LYS A 81 -19.957 -4.398 -0.750 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.955 -7.339 -0.115 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.374 -7.350 0.473 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.434 -7.668 -0.590 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.748 -8.108 0.064 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.814 -8.273 -0.939 1.00 0.00 N ATOM 0 H LYS A 81 -17.002 -7.518 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.522 -6.540 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.700 -8.352 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.255 -7.062 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.429 -8.089 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.589 -6.379 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.608 -6.789 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.069 -8.456 -1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.596 -9.048 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.054 -7.369 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.691 -8.571 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.974 -7.369 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.530 -8.995 -1.631 1.00 0.00 H new ATOM 1343 N THR A 82 -17.727 -4.303 -0.519 1.00 0.00 N ATOM 1344 CA THR A 82 -17.652 -2.954 -0.011 1.00 0.00 C ATOM 1345 C THR A 82 -16.267 -2.379 -0.346 1.00 0.00 C ATOM 1346 O THR A 82 -16.139 -1.671 -1.340 1.00 0.00 O ATOM 1347 CB THR A 82 -17.993 -3.005 1.486 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.385 -3.183 1.664 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.605 -1.723 2.200 1.00 0.00 C ATOM 0 H THR A 82 -16.812 -4.746 -0.600 1.00 0.00 H new ATOM 0 HA THR A 82 -18.369 -2.276 -0.473 1.00 0.00 H new ATOM 0 HB THR A 82 -17.431 -3.839 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.787 -3.482 0.822 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.864 -1.802 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.532 -1.562 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.141 -0.883 1.757 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.255 -2.672 0.481 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.869 -2.184 0.440 1.00 0.00 C ATOM 1359 C ARG A 83 -13.197 -2.517 1.788 1.00 0.00 C ATOM 1360 O ARG A 83 -12.504 -1.700 2.390 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.763 -0.686 0.074 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.293 -0.448 -1.371 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.089 1.050 -1.618 1.00 0.00 C ATOM 1364 NE ARG A 83 -12.640 1.301 -2.993 1.00 0.00 N ATOM 1365 CZ ARG A 83 -12.324 2.508 -3.482 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.377 3.591 -2.698 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -11.960 2.625 -4.763 1.00 0.00 N ATOM 0 H ARG A 83 -15.397 -3.311 1.263 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.338 -2.694 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.735 -0.214 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.070 -0.199 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.362 -0.984 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.029 -0.843 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.022 1.583 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.354 1.441 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.563 0.500 -3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.659 3.501 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.135 4.507 -3.076 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.924 1.799 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.718 3.540 -5.143 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.414 -3.739 2.286 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.652 -4.251 3.416 1.00 0.00 C ATOM 1383 C GLY A 84 -11.244 -4.576 2.924 1.00 0.00 C ATOM 1384 O GLY A 84 -11.089 -4.771 1.722 1.00 0.00 O ATOM 0 H GLY A 84 -14.112 -4.387 1.920 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.615 -3.513 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.128 -5.142 3.825 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.249 -4.647 3.817 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.842 -4.924 3.501 1.00 0.00 C ATOM 1390 C ARG A 85 -8.404 -6.206 4.209 1.00 0.00 C ATOM 1391 O ARG A 85 -8.463 -6.261 5.437 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.916 -3.752 3.902 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.615 -2.531 4.513 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.043 -2.794 5.966 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.362 -2.212 6.244 1.00 0.00 N ATOM 1396 CZ ARG A 85 -10.989 -2.283 7.427 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.421 -2.918 8.457 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.188 -1.709 7.570 1.00 0.00 N ATOM 0 H ARG A 85 -10.407 -4.508 4.815 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.758 -5.048 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.181 -4.122 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.366 -3.428 3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.944 -1.672 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.490 -2.275 3.916 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.070 -3.868 6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.305 -2.371 6.648 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.834 -1.720 5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.505 -3.352 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.904 -2.968 9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.618 -1.223 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.673 -1.758 8.466 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.966 -7.223 3.459 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.535 -8.505 3.992 1.00 0.00 C ATOM 1414 C LYS A 86 -6.024 -8.671 3.884 1.00 0.00 C ATOM 1415 O LYS A 86 -5.393 -8.273 2.901 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.259 -9.661 3.298 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.730 -9.786 3.720 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.929 -10.207 5.189 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.969 -9.036 6.194 1.00 0.00 C ATOM 1420 NZ LYS A 86 -11.080 -9.195 7.150 1.00 0.00 N ATOM 0 H LYS A 86 -7.903 -7.169 2.442 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.798 -8.526 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.207 -9.519 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.742 -10.594 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.226 -8.829 3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.221 -10.514 3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.859 -10.769 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.123 -10.884 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.024 -8.985 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.080 -8.095 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.084 -8.395 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.982 -9.220 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.959 -10.083 7.678 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.462 -9.275 4.932 1.00 0.00 N ATOM 1435 CA LEU A 87 -4.040 -9.463 5.088 1.00 0.00 C ATOM 1436 C LEU A 87 -3.591 -10.608 4.178 1.00 0.00 C ATOM 1437 O LEU A 87 -3.632 -11.772 4.566 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.773 -9.749 6.577 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.317 -9.520 7.003 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.159 -9.817 8.498 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.313 -10.399 6.240 1.00 0.00 C ATOM 0 H LEU A 87 -6.006 -9.652 5.708 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.470 -8.580 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.422 -9.115 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.046 -10.782 6.793 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.097 -8.477 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.123 -9.653 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.809 -9.156 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.432 -10.854 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.303 -10.186 6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.544 -11.450 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.379 -10.185 5.173 1.00 0.00 H new ATOM 1453 N LEU A 88 -3.097 -10.250 2.992 1.00 0.00 N ATOM 1454 CA LEU A 88 -2.348 -11.128 2.096 1.00 0.00 C ATOM 1455 C LEU A 88 -0.886 -10.644 2.012 1.00 0.00 C ATOM 1456 O LEU A 88 -0.065 -11.248 1.324 1.00 0.00 O ATOM 1457 CB LEU A 88 -3.033 -11.185 0.716 1.00 0.00 C ATOM 1458 CG LEU A 88 -4.057 -12.313 0.497 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -3.410 -13.700 0.527 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -5.237 -12.246 1.474 1.00 0.00 C ATOM 0 H LEU A 88 -3.212 -9.308 2.617 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.338 -12.146 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.535 -10.232 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.258 -11.277 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.456 -12.151 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.174 -14.461 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.660 -13.769 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.935 -13.859 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.925 -13.067 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.868 -12.327 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.758 -11.297 1.351 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.550 -9.544 2.706 1.00 0.00 N ATOM 1473 CA ARG A 89 0.790 -8.990 2.734 1.00 0.00 C ATOM 1474 C ARG A 89 1.815 -9.921 3.373 1.00 0.00 C ATOM 1475 O ARG A 89 1.480 -10.832 4.127 1.00 0.00 O ATOM 1476 CB ARG A 89 0.846 -7.617 3.431 1.00 0.00 C ATOM 1477 CG ARG A 89 0.172 -7.571 4.806 1.00 0.00 C ATOM 1478 CD ARG A 89 0.500 -6.234 5.484 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.665 -5.677 6.186 1.00 0.00 N ATOM 1480 CZ ARG A 89 -1.120 -6.075 7.381 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.393 -6.838 8.201 1.00 0.00 N ATOM 1482 NH2 ARG A 89 -2.346 -5.722 7.763 1.00 0.00 N ATOM 0 H ARG A 89 -1.219 -9.017 3.267 1.00 0.00 H new ATOM 0 HA ARG A 89 1.055 -8.865 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.890 -7.323 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.374 -6.877 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.907 -7.683 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.519 -8.400 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.317 -6.376 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.847 -5.522 4.735 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.171 -4.922 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.542 -7.137 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.773 -7.122 9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.928 -5.154 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.703 -6.020 8.671 1.00 0.00 H new ATOM 1496 N PHE A 90 3.081 -9.580 3.131 1.00 0.00 N ATOM 1497 CA PHE A 90 4.241 -10.116 3.817 1.00 0.00 C ATOM 1498 C PHE A 90 4.543 -11.548 3.376 1.00 0.00 C ATOM 1499 O PHE A 90 4.400 -12.499 4.140 1.00 0.00 O ATOM 1500 CB PHE A 90 4.064 -9.932 5.330 1.00 0.00 C ATOM 1501 CG PHE A 90 5.291 -9.372 6.003 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.356 -10.221 6.356 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.356 -7.995 6.290 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.459 -9.701 7.054 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.444 -7.485 7.010 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.489 -8.341 7.406 1.00 0.00 C ATOM 0 H PHE A 90 3.329 -8.892 2.420 1.00 0.00 H new ATOM 0 HA PHE A 90 5.135 -9.559 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.220 -9.267 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.816 -10.893 5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.326 -11.268 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.570 -7.334 5.956 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.283 -10.346 7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.481 -6.435 7.261 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.316 -7.952 7.982 1.00 0.00 H new ATOM 1516 N ASN A 91 4.979 -11.685 2.123 1.00 0.00 N ATOM 1517 CA ASN A 91 5.254 -12.953 1.467 1.00 0.00 C ATOM 1518 C ASN A 91 6.592 -12.866 0.729 1.00 0.00 C ATOM 1519 O ASN A 91 7.177 -11.786 0.608 1.00 0.00 O ATOM 1520 CB ASN A 91 4.095 -13.284 0.516 1.00 0.00 C ATOM 1521 CG ASN A 91 3.902 -14.789 0.355 1.00 0.00 C ATOM 1522 OD1 ASN A 91 4.532 -15.399 -0.646 1.00 0.00 O flip ATOM 1523 ND2 ASN A 91 3.191 -15.413 1.132 1.00 0.00 N flip ATOM 0 H ASN A 91 5.155 -10.882 1.519 1.00 0.00 H new ATOM 0 HA ASN A 91 5.333 -13.756 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.175 -12.839 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.287 -12.836 -0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.717 -14.926 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.073 -16.420 1.019 1.00 0.00 H new ATOM 1530 N GLY A 92 7.082 -14.004 0.238 1.00 0.00 N ATOM 1531 CA GLY A 92 8.398 -14.128 -0.370 1.00 0.00 C ATOM 1532 C GLY A 92 9.343 -14.769 0.649 1.00 0.00 C ATOM 1533 O GLY A 92 9.015 -15.849 1.137 1.00 0.00 O ATOM 0 H GLY A 92 6.561 -14.881 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.343 -14.738 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.771 -13.149 -0.669 1.00 0.00 H new ATOM 1537 N PRO A 93 10.479 -14.146 1.013 1.00 0.00 N ATOM 1538 CA PRO A 93 10.990 -12.874 0.512 1.00 0.00 C ATOM 1539 C PRO A 93 11.385 -12.997 -0.961 1.00 0.00 C ATOM 1540 O PRO A 93 11.357 -14.091 -1.521 1.00 0.00 O ATOM 1541 CB PRO A 93 12.207 -12.565 1.389 1.00 0.00 C ATOM 1542 CG PRO A 93 12.722 -13.953 1.770 1.00 0.00 C ATOM 1543 CD PRO A 93 11.432 -14.755 1.926 1.00 0.00 C ATOM 0 HA PRO A 93 10.246 -12.079 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.959 -11.991 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.933 -11.982 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.369 -14.371 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.300 -13.931 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.592 -15.805 1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.069 -14.718 2.953 1.00 0.00 H new ATOM 1551 N VAL A 94 11.733 -11.871 -1.591 1.00 0.00 N ATOM 1552 CA VAL A 94 12.188 -11.833 -2.976 1.00 0.00 C ATOM 1553 C VAL A 94 13.459 -10.976 -3.068 1.00 0.00 C ATOM 1554 O VAL A 94 13.684 -10.121 -2.208 1.00 0.00 O ATOM 1555 CB VAL A 94 11.050 -11.341 -3.900 1.00 0.00 C ATOM 1556 CG1 VAL A 94 9.817 -12.249 -3.805 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.626 -9.900 -3.617 1.00 0.00 C ATOM 0 H VAL A 94 11.705 -10.954 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 94 12.447 -12.834 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 94 11.462 -11.380 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.037 -11.874 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.088 -13.262 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.449 -12.257 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.825 -9.616 -4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.273 -9.820 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.478 -9.235 -3.761 1.00 0.00 H new ATOM 1567 N PRO A 95 14.325 -11.207 -4.069 1.00 0.00 N ATOM 1568 CA PRO A 95 15.513 -10.393 -4.278 1.00 0.00 C ATOM 1569 C PRO A 95 15.122 -8.991 -4.769 1.00 0.00 C ATOM 1570 O PRO A 95 13.995 -8.788 -5.222 1.00 0.00 O ATOM 1571 CB PRO A 95 16.342 -11.154 -5.319 1.00 0.00 C ATOM 1572 CG PRO A 95 15.286 -11.908 -6.126 1.00 0.00 C ATOM 1573 CD PRO A 95 14.244 -12.265 -5.066 1.00 0.00 C ATOM 0 HA PRO A 95 16.082 -10.240 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 95 16.920 -10.476 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 95 17.051 -11.835 -4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.863 -11.289 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.699 -12.797 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.246 -12.320 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.453 -13.239 -4.623 1.00 0.00 H new ATOM 1581 N PRO A 96 16.039 -8.014 -4.692 1.00 0.00 N ATOM 1582 CA PRO A 96 15.802 -6.673 -5.200 1.00 0.00 C ATOM 1583 C PRO A 96 15.673 -6.669 -6.728 1.00 0.00 C ATOM 1584 O PRO A 96 16.225 -7.543 -7.396 1.00 0.00 O ATOM 1585 CB PRO A 96 16.994 -5.838 -4.724 1.00 0.00 C ATOM 1586 CG PRO A 96 18.113 -6.871 -4.584 1.00 0.00 C ATOM 1587 CD PRO A 96 17.367 -8.118 -4.110 1.00 0.00 C ATOM 0 HA PRO A 96 14.862 -6.262 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.252 -5.060 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.784 -5.341 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.626 -7.042 -5.530 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.868 -6.554 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.871 -9.027 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.318 -8.157 -3.022 1.00 0.00 H new ATOM 1595 N PRO A 97 14.956 -5.684 -7.293 1.00 0.00 N ATOM 1596 CA PRO A 97 14.807 -5.536 -8.732 1.00 0.00 C ATOM 1597 C PRO A 97 16.133 -5.123 -9.380 1.00 0.00 C ATOM 1598 O PRO A 97 16.285 -5.418 -10.585 1.00 0.00 O ATOM 1599 CB PRO A 97 13.729 -4.461 -8.911 1.00 0.00 C ATOM 1600 CG PRO A 97 13.903 -3.585 -7.671 1.00 0.00 C ATOM 1601 CD PRO A 97 14.278 -4.603 -6.592 1.00 0.00 C ATOM 1602 OXT PRO A 97 16.957 -4.498 -8.676 1.00 0.00 O ATOM 0 HA PRO A 97 14.523 -6.470 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 97 13.875 -3.893 -9.830 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.731 -4.896 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.683 -2.836 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.987 -3.049 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.927 -4.156 -5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.392 -4.968 -6.072 1.00 0.00 H new