USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 824 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 33 MET CE :methyl -116:sc= -1.8 (180deg=-1.7) USER MOD Set 1.2: A 74 TYR OH : rot -103:sc= 0.134 USER MOD Single : A 1 GLU N :NH3+ -121:sc= 0.122 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-1.9) USER MOD Single : A 12 MET CE :methyl -134:sc= -0.986 (180deg=-1.17) USER MOD Single : A 14 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2.2) USER MOD Single : A 21 SER OG : rot 80:sc= 0.297 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.163 K(o=-0.16,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.8!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 62:sc= 1.2 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.525 K(o=-0.53,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.76) USER MOD Single : A 60 TYR OH : rot 180:sc= 0.647 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.1 K(o=-3.1,f=-5.5!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0.271 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.21 K(o=0.21,f=-6.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.36) USER MOD Single : A 90 TYR OH : rot 68:sc= 0.281 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=-0.045) USER MOD Single : A 98 SER OG : rot -78:sc= -0.994 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.881 K(o=-0.88,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.789 -7.379 -10.203 1.00 0.00 N ATOM 2 CA GLU A 1 10.574 -7.511 -11.040 1.00 0.00 C ATOM 3 C GLU A 1 10.737 -8.533 -12.182 1.00 0.00 C ATOM 4 O GLU A 1 11.761 -8.552 -12.863 1.00 0.00 O ATOM 5 CB GLU A 1 10.129 -6.160 -11.624 1.00 0.00 C ATOM 6 CG GLU A 1 11.115 -5.528 -12.620 1.00 0.00 C ATOM 7 CD GLU A 1 11.810 -4.276 -12.082 1.00 0.00 C ATOM 8 OE1 GLU A 1 12.197 -4.286 -10.891 1.00 0.00 O ATOM 9 OE2 GLU A 1 11.934 -3.331 -12.888 1.00 0.00 O ATOM 0 H1 GLU A 1 11.558 -7.613 -9.216 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.522 -8.029 -10.550 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.141 -6.402 -10.254 1.00 0.00 H new ATOM 0 HA GLU A 1 9.802 -7.881 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.169 -6.295 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.967 -5.462 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.871 -6.266 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.581 -5.272 -13.535 1.00 0.00 H new ATOM 17 N LEU A 2 9.710 -9.363 -12.367 1.00 0.00 N ATOM 18 CA LEU A 2 9.731 -10.496 -13.325 1.00 0.00 C ATOM 19 C LEU A 2 10.952 -11.399 -13.071 1.00 0.00 C ATOM 20 O LEU A 2 11.537 -11.302 -11.994 1.00 0.00 O ATOM 21 CB LEU A 2 9.662 -9.975 -14.767 1.00 0.00 C ATOM 22 CG LEU A 2 8.218 -9.962 -15.267 1.00 0.00 C ATOM 23 CD1 LEU A 2 8.007 -8.794 -16.230 1.00 0.00 C ATOM 24 CD2 LEU A 2 7.917 -11.279 -15.987 1.00 0.00 C ATOM 0 H LEU A 2 8.830 -9.277 -11.859 1.00 0.00 H new ATOM 0 HA LEU A 2 8.849 -11.117 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.078 -8.969 -14.816 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.271 -10.604 -15.416 1.00 0.00 H new ATOM 0 HG LEU A 2 7.546 -9.847 -14.416 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.975 -8.793 -16.581 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.216 -7.856 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.679 -8.898 -17.081 1.00 0.00 H new ATOM 0 HD21 LEU A 2 6.887 -11.271 -16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.594 -11.394 -16.834 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.055 -12.111 -15.297 1.00 0.00 H new ATOM 36 N ILE A 3 11.155 -12.419 -13.909 1.00 0.00 N ATOM 37 CA ILE A 3 12.303 -13.361 -13.809 1.00 0.00 C ATOM 38 C ILE A 3 12.143 -14.370 -12.640 1.00 0.00 C ATOM 39 O ILE A 3 12.698 -15.464 -12.678 1.00 0.00 O ATOM 40 CB ILE A 3 13.649 -12.582 -13.769 1.00 0.00 C ATOM 41 CG1 ILE A 3 13.814 -11.667 -14.993 1.00 0.00 C ATOM 42 CG2 ILE A 3 14.888 -13.484 -13.696 1.00 0.00 C ATOM 43 CD1 ILE A 3 13.772 -10.179 -14.627 1.00 0.00 C ATOM 0 H ILE A 3 10.529 -12.627 -14.687 1.00 0.00 H new ATOM 0 HA ILE A 3 12.315 -13.974 -14.710 1.00 0.00 H new ATOM 0 HB ILE A 3 13.590 -11.997 -12.851 1.00 0.00 H new ATOM 0 HG12 ILE A 3 14.761 -11.890 -15.484 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.024 -11.883 -15.712 1.00 0.00 H new ATOM 0 HG21 ILE A 3 15.786 -12.867 -13.672 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.842 -14.093 -12.794 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.918 -14.133 -14.571 1.00 0.00 H new ATOM 0 HD11 ILE A 3 13.893 -9.579 -15.529 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.814 -9.946 -14.162 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.579 -9.953 -13.930 1.00 0.00 H new ATOM 55 N ARG A 4 11.333 -13.997 -11.645 1.00 0.00 N ATOM 56 CA ARG A 4 11.094 -14.740 -10.383 1.00 0.00 C ATOM 57 C ARG A 4 10.037 -14.068 -9.474 1.00 0.00 C ATOM 58 O ARG A 4 10.209 -13.895 -8.268 1.00 0.00 O ATOM 59 CB ARG A 4 12.419 -14.919 -9.620 1.00 0.00 C ATOM 60 CG ARG A 4 13.163 -13.588 -9.433 1.00 0.00 C ATOM 61 CD ARG A 4 14.319 -13.712 -8.443 1.00 0.00 C ATOM 62 NE ARG A 4 15.627 -13.750 -9.123 1.00 0.00 N ATOM 63 CZ ARG A 4 16.233 -14.811 -9.661 1.00 0.00 C ATOM 64 NH1 ARG A 4 15.637 -15.990 -9.769 1.00 0.00 N ATOM 65 NH2 ARG A 4 17.454 -14.685 -10.158 1.00 0.00 N ATOM 0 H ARG A 4 10.797 -13.130 -11.690 1.00 0.00 H new ATOM 0 HA ARG A 4 10.691 -15.714 -10.660 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.218 -15.362 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.057 -15.617 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.545 -13.248 -10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.465 -12.829 -9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.295 -12.871 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.192 -14.617 -7.849 1.00 0.00 H new ATOM 0 HE ARG A 4 16.126 -12.863 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.681 -16.111 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.134 -16.777 -10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 4 17.926 -13.781 -10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 4 17.923 -15.492 -10.570 1.00 0.00 H new ATOM 79 N VAL A 5 8.945 -13.637 -10.102 1.00 0.00 N ATOM 80 CA VAL A 5 7.831 -12.953 -9.408 1.00 0.00 C ATOM 81 C VAL A 5 6.624 -12.710 -10.329 1.00 0.00 C ATOM 82 O VAL A 5 5.494 -12.872 -9.892 1.00 0.00 O ATOM 83 CB VAL A 5 8.311 -11.666 -8.699 1.00 0.00 C ATOM 84 CG1 VAL A 5 8.779 -10.568 -9.654 1.00 0.00 C ATOM 85 CG2 VAL A 5 7.283 -11.160 -7.688 1.00 0.00 C ATOM 0 H VAL A 5 8.798 -13.747 -11.105 1.00 0.00 H new ATOM 0 HA VAL A 5 7.476 -13.628 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 5 9.204 -11.952 -8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.100 -9.699 -9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.613 -10.936 -10.251 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.958 -10.285 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.657 -10.254 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.347 -10.940 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.111 -11.925 -6.930 1.00 0.00 H new ATOM 95 N ALA A 6 6.902 -12.366 -11.588 1.00 0.00 N ATOM 96 CA ALA A 6 5.908 -12.050 -12.642 1.00 0.00 C ATOM 97 C ALA A 6 5.143 -10.742 -12.356 1.00 0.00 C ATOM 98 O ALA A 6 3.920 -10.668 -12.438 1.00 0.00 O ATOM 99 CB ALA A 6 4.973 -13.245 -12.910 1.00 0.00 C ATOM 0 H ALA A 6 7.862 -12.294 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 6 6.460 -11.871 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.257 -12.979 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.562 -14.102 -13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.438 -13.500 -11.996 1.00 0.00 H new ATOM 105 N ILE A 7 5.919 -9.743 -11.921 1.00 0.00 N ATOM 106 CA ILE A 7 5.482 -8.368 -11.577 1.00 0.00 C ATOM 107 C ILE A 7 4.121 -8.381 -10.857 1.00 0.00 C ATOM 108 O ILE A 7 3.049 -8.184 -11.424 1.00 0.00 O ATOM 109 CB ILE A 7 5.594 -7.419 -12.800 1.00 0.00 C ATOM 110 CG1 ILE A 7 5.612 -5.923 -12.422 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.640 -7.742 -13.964 1.00 0.00 C ATOM 112 CD1 ILE A 7 4.355 -5.288 -11.805 1.00 0.00 C ATOM 0 H ILE A 7 6.923 -9.869 -11.790 1.00 0.00 H new ATOM 0 HA ILE A 7 6.167 -7.939 -10.846 1.00 0.00 H new ATOM 0 HB ILE A 7 6.584 -7.635 -13.203 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.433 -5.772 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.855 -5.360 -13.323 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.793 -7.024 -14.770 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.841 -8.748 -14.331 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.609 -7.682 -13.616 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.542 -4.234 -11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.521 -5.381 -12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.109 -5.799 -10.874 1.00 0.00 H new ATOM 124 N LEU A 8 4.203 -8.744 -9.587 1.00 0.00 N ATOM 125 CA LEU A 8 2.986 -8.895 -8.779 1.00 0.00 C ATOM 126 C LEU A 8 2.445 -7.529 -8.325 1.00 0.00 C ATOM 127 O LEU A 8 2.884 -6.484 -8.802 1.00 0.00 O ATOM 128 CB LEU A 8 3.283 -9.877 -7.636 1.00 0.00 C ATOM 129 CG LEU A 8 3.670 -11.287 -8.102 1.00 0.00 C ATOM 130 CD1 LEU A 8 3.784 -12.171 -6.864 1.00 0.00 C ATOM 131 CD2 LEU A 8 2.730 -11.904 -9.151 1.00 0.00 C ATOM 0 H LEU A 8 5.075 -8.938 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 8 2.175 -9.320 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.091 -9.473 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.404 -9.947 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 8 4.623 -11.212 -8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.059 -13.183 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.548 -11.769 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.826 -12.194 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.085 -12.899 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.723 -11.976 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.714 -11.274 -10.041 1.00 0.00 H new ATOM 143 N TRP A 9 1.657 -7.554 -7.257 1.00 0.00 N ATOM 144 CA TRP A 9 1.167 -6.322 -6.614 1.00 0.00 C ATOM 145 C TRP A 9 2.019 -5.898 -5.408 1.00 0.00 C ATOM 146 O TRP A 9 2.102 -4.723 -5.072 1.00 0.00 O ATOM 147 CB TRP A 9 -0.324 -6.433 -6.278 1.00 0.00 C ATOM 148 CG TRP A 9 -1.216 -6.402 -7.527 1.00 0.00 C ATOM 149 CD1 TRP A 9 -0.959 -5.803 -8.695 1.00 0.00 C ATOM 150 CD2 TRP A 9 -2.548 -6.793 -7.573 1.00 0.00 C ATOM 151 NE1 TRP A 9 -2.062 -5.760 -9.443 1.00 0.00 N ATOM 152 CE2 TRP A 9 -3.048 -6.359 -8.783 1.00 0.00 C ATOM 153 CE3 TRP A 9 -3.387 -7.367 -6.617 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -4.402 -6.494 -9.079 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -4.739 -7.539 -6.933 1.00 0.00 C ATOM 156 CH2 TRP A 9 -5.237 -7.107 -8.144 1.00 0.00 C ATOM 0 H TRP A 9 1.338 -8.413 -6.810 1.00 0.00 H new ATOM 0 HA TRP A 9 1.277 -5.515 -7.339 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -0.501 -7.360 -5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.605 -5.614 -5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.003 -5.411 -8.990 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.137 -5.337 -10.368 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.001 -7.671 -5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -4.799 -6.131 -10.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.398 -8.014 -6.222 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.284 -7.244 -8.371 1.00 0.00 H new ATOM 167 N HIS A 10 2.843 -6.837 -4.952 1.00 0.00 N ATOM 168 CA HIS A 10 3.864 -6.627 -3.908 1.00 0.00 C ATOM 169 C HIS A 10 5.059 -5.826 -4.462 1.00 0.00 C ATOM 170 O HIS A 10 5.494 -4.842 -3.881 1.00 0.00 O ATOM 171 CB HIS A 10 4.257 -8.025 -3.414 1.00 0.00 C ATOM 172 CG HIS A 10 5.665 -8.169 -2.837 1.00 0.00 C ATOM 173 ND1 HIS A 10 6.026 -8.182 -1.555 1.00 0.00 N ATOM 174 CD2 HIS A 10 6.746 -8.390 -3.574 1.00 0.00 C ATOM 175 CE1 HIS A 10 7.335 -8.411 -1.523 1.00 0.00 C ATOM 176 NE2 HIS A 10 7.779 -8.550 -2.766 1.00 0.00 N ATOM 0 H HIS A 10 2.825 -7.795 -5.303 1.00 0.00 H new ATOM 0 HA HIS A 10 3.486 -6.031 -3.077 1.00 0.00 H new ATOM 0 HB2 HIS A 10 3.542 -8.332 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.155 -8.723 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.776 -8.432 -4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.939 -8.474 -0.630 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.740 -8.744 -3.046 1.00 0.00 H new ATOM 184 N GLU A 11 5.521 -6.211 -5.650 1.00 0.00 N ATOM 185 CA GLU A 11 6.688 -5.580 -6.309 1.00 0.00 C ATOM 186 C GLU A 11 6.490 -4.079 -6.521 1.00 0.00 C ATOM 187 O GLU A 11 7.270 -3.261 -6.041 1.00 0.00 O ATOM 188 CB GLU A 11 6.966 -6.249 -7.657 1.00 0.00 C ATOM 189 CG GLU A 11 7.367 -7.710 -7.474 1.00 0.00 C ATOM 190 CD GLU A 11 8.777 -7.899 -6.899 1.00 0.00 C ATOM 191 OE1 GLU A 11 8.989 -7.517 -5.734 1.00 0.00 O ATOM 192 OE2 GLU A 11 9.618 -8.386 -7.682 1.00 0.00 O ATOM 0 H GLU A 11 5.105 -6.968 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 11 7.540 -5.718 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.078 -6.189 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.761 -5.713 -8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.648 -8.194 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.307 -8.217 -8.437 1.00 0.00 H new ATOM 199 N MET A 12 5.346 -3.755 -7.117 1.00 0.00 N ATOM 200 CA MET A 12 4.909 -2.363 -7.282 1.00 0.00 C ATOM 201 C MET A 12 4.690 -1.678 -5.924 1.00 0.00 C ATOM 202 O MET A 12 5.024 -0.510 -5.810 1.00 0.00 O ATOM 203 CB MET A 12 3.655 -2.315 -8.160 1.00 0.00 C ATOM 204 CG MET A 12 2.373 -2.725 -7.427 1.00 0.00 C ATOM 205 SD MET A 12 0.902 -3.077 -8.452 1.00 0.00 S ATOM 206 CE MET A 12 0.959 -1.809 -9.700 1.00 0.00 C ATOM 0 H MET A 12 4.696 -4.442 -7.499 1.00 0.00 H new ATOM 0 HA MET A 12 5.698 -1.803 -7.785 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.533 -1.304 -8.549 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.798 -2.972 -9.018 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.592 -3.613 -6.834 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.115 -1.930 -6.727 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.031 -1.369 -9.817 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.667 -1.036 -9.401 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.277 -2.245 -10.647 1.00 0.00 H new ATOM 216 N TRP A 13 4.283 -2.432 -4.902 1.00 0.00 N ATOM 217 CA TRP A 13 4.079 -1.922 -3.536 1.00 0.00 C ATOM 218 C TRP A 13 5.371 -1.416 -2.886 1.00 0.00 C ATOM 219 O TRP A 13 5.361 -0.345 -2.289 1.00 0.00 O ATOM 220 CB TRP A 13 3.428 -2.983 -2.641 1.00 0.00 C ATOM 221 CG TRP A 13 1.956 -2.706 -2.334 1.00 0.00 C ATOM 222 CD1 TRP A 13 0.977 -3.609 -2.302 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.371 -1.466 -2.130 1.00 0.00 C ATOM 224 NE1 TRP A 13 -0.192 -2.997 -2.109 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.016 -1.685 -2.035 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.899 -0.197 -1.928 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.838 -0.622 -1.773 1.00 0.00 C ATOM 228 CZ3 TRP A 13 1.044 0.859 -1.640 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.314 0.647 -1.549 1.00 0.00 C ATOM 0 H TRP A 13 4.082 -3.428 -4.996 1.00 0.00 H new ATOM 0 HA TRP A 13 3.408 -1.069 -3.633 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.513 -3.956 -3.125 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.981 -3.044 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.110 -4.675 -2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.098 -3.459 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.964 -0.033 -1.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.906 -0.780 -1.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.445 1.850 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.973 1.467 -1.303 1.00 0.00 H new ATOM 240 N HIS A 14 6.492 -2.034 -3.250 1.00 0.00 N ATOM 241 CA HIS A 14 7.838 -1.668 -2.769 1.00 0.00 C ATOM 242 C HIS A 14 8.103 -0.166 -3.004 1.00 0.00 C ATOM 243 O HIS A 14 8.051 0.646 -2.078 1.00 0.00 O ATOM 244 CB HIS A 14 8.840 -2.545 -3.530 1.00 0.00 C ATOM 245 CG HIS A 14 10.152 -2.852 -2.806 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.930 -3.891 -3.099 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.632 -2.277 -1.708 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.877 -3.964 -2.168 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.687 -2.974 -1.300 1.00 0.00 N ATOM 0 H HIS A 14 6.499 -2.820 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 14 7.934 -1.837 -1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.353 -3.490 -3.773 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.076 -2.055 -4.475 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.233 -1.395 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.665 -4.701 -2.124 1.00 0.00 H new ATOM 0 HE2 HIS A 14 12.250 -2.784 -0.471 1.00 0.00 H new ATOM 257 N GLU A 15 8.170 0.211 -4.280 1.00 0.00 N ATOM 258 CA GLU A 15 8.282 1.625 -4.686 1.00 0.00 C ATOM 259 C GLU A 15 6.977 2.420 -4.616 1.00 0.00 C ATOM 260 O GLU A 15 7.011 3.612 -4.358 1.00 0.00 O ATOM 261 CB GLU A 15 8.871 1.793 -6.080 1.00 0.00 C ATOM 262 CG GLU A 15 10.386 1.596 -6.040 1.00 0.00 C ATOM 263 CD GLU A 15 11.091 2.471 -7.080 1.00 0.00 C ATOM 264 OE1 GLU A 15 10.583 2.557 -8.221 1.00 0.00 O ATOM 265 OE2 GLU A 15 12.136 3.036 -6.698 1.00 0.00 O ATOM 0 H GLU A 15 8.149 -0.444 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 15 8.962 2.037 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.421 1.072 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.636 2.785 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.760 1.838 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.623 0.548 -6.223 1.00 0.00 H new ATOM 272 N GLY A 16 5.841 1.762 -4.842 1.00 0.00 N ATOM 273 CA GLY A 16 4.512 2.392 -4.768 1.00 0.00 C ATOM 274 C GLY A 16 4.216 2.966 -3.377 1.00 0.00 C ATOM 275 O GLY A 16 3.596 4.021 -3.253 1.00 0.00 O ATOM 0 H GLY A 16 5.810 0.771 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.449 3.189 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.749 1.657 -5.025 1.00 0.00 H new ATOM 279 N LEU A 17 4.765 2.299 -2.367 1.00 0.00 N ATOM 280 CA LEU A 17 4.820 2.836 -1.004 1.00 0.00 C ATOM 281 C LEU A 17 5.966 3.821 -0.802 1.00 0.00 C ATOM 282 O LEU A 17 5.718 4.867 -0.233 1.00 0.00 O ATOM 283 CB LEU A 17 4.815 1.770 0.096 1.00 0.00 C ATOM 284 CG LEU A 17 3.395 1.527 0.625 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.402 0.450 1.707 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.774 2.804 1.198 1.00 0.00 C ATOM 0 H LEU A 17 5.184 1.374 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 17 3.884 3.384 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.225 0.839 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.462 2.085 0.915 1.00 0.00 H new ATOM 0 HG LEU A 17 2.793 1.198 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.386 0.292 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.788 -0.481 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.037 0.769 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.769 2.589 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.387 3.169 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.723 3.565 0.419 1.00 0.00 H new ATOM 298 N GLU A 18 7.110 3.632 -1.450 1.00 0.00 N ATOM 299 CA GLU A 18 8.210 4.617 -1.371 1.00 0.00 C ATOM 300 C GLU A 18 7.856 5.968 -2.021 1.00 0.00 C ATOM 301 O GLU A 18 8.081 7.006 -1.412 1.00 0.00 O ATOM 302 CB GLU A 18 9.496 4.026 -1.952 1.00 0.00 C ATOM 303 CG GLU A 18 10.689 4.937 -1.646 1.00 0.00 C ATOM 304 CD GLU A 18 11.938 4.114 -1.338 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.962 3.536 -0.230 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.842 4.109 -2.199 1.00 0.00 O ATOM 0 H GLU A 18 7.310 2.819 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 18 8.374 4.834 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.670 3.035 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.392 3.902 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.880 5.591 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.453 5.579 -0.797 1.00 0.00 H new ATOM 313 N GLU A 19 7.192 5.927 -3.171 1.00 0.00 N ATOM 314 CA GLU A 19 6.719 7.113 -3.906 1.00 0.00 C ATOM 315 C GLU A 19 5.556 7.800 -3.178 1.00 0.00 C ATOM 316 O GLU A 19 5.441 9.016 -3.251 1.00 0.00 O ATOM 317 CB GLU A 19 6.345 6.733 -5.349 1.00 0.00 C ATOM 318 CG GLU A 19 6.082 7.948 -6.255 1.00 0.00 C ATOM 319 CD GLU A 19 7.303 8.825 -6.583 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.239 8.900 -5.755 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.268 9.419 -7.680 1.00 0.00 O ATOM 0 H GLU A 19 6.958 5.050 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 19 7.533 7.837 -3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.149 6.136 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.455 6.103 -5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.654 7.591 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.328 8.574 -5.779 1.00 0.00 H new ATOM 328 N ALA A 20 4.705 7.034 -2.501 1.00 0.00 N ATOM 329 CA ALA A 20 3.640 7.600 -1.647 1.00 0.00 C ATOM 330 C ALA A 20 4.139 8.118 -0.296 1.00 0.00 C ATOM 331 O ALA A 20 3.844 9.237 0.122 1.00 0.00 O ATOM 332 CB ALA A 20 2.595 6.543 -1.333 1.00 0.00 C ATOM 0 H ALA A 20 4.725 6.014 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 20 3.236 8.433 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.818 6.976 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.151 6.183 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.065 5.711 -0.809 1.00 0.00 H new ATOM 338 N SER A 21 4.906 7.265 0.370 1.00 0.00 N ATOM 339 CA SER A 21 5.438 7.519 1.716 1.00 0.00 C ATOM 340 C SER A 21 6.356 8.725 1.673 1.00 0.00 C ATOM 341 O SER A 21 5.942 9.717 2.252 1.00 0.00 O ATOM 342 CB SER A 21 6.166 6.332 2.349 1.00 0.00 C ATOM 343 OG SER A 21 5.231 5.280 2.596 1.00 0.00 O ATOM 0 H SER A 21 5.185 6.360 -0.010 1.00 0.00 H new ATOM 0 HA SER A 21 4.573 7.703 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.958 5.982 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.641 6.638 3.281 1.00 0.00 H new ATOM 0 HG SER A 21 5.067 4.787 1.765 1.00 0.00 H new ATOM 349 N ARG A 22 7.281 8.764 0.706 1.00 0.00 N ATOM 350 CA ARG A 22 8.162 9.932 0.470 1.00 0.00 C ATOM 351 C ARG A 22 7.408 11.273 0.388 1.00 0.00 C ATOM 352 O ARG A 22 7.799 12.232 1.057 1.00 0.00 O ATOM 353 CB ARG A 22 9.056 9.714 -0.755 1.00 0.00 C ATOM 354 CG ARG A 22 9.954 10.913 -1.052 1.00 0.00 C ATOM 355 CD ARG A 22 11.212 10.505 -1.815 1.00 0.00 C ATOM 356 NE ARG A 22 12.382 10.790 -0.965 1.00 0.00 N ATOM 357 CZ ARG A 22 12.889 11.995 -0.674 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.357 13.121 -1.136 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.944 12.090 0.119 1.00 0.00 N ATOM 0 H ARG A 22 7.446 7.991 0.061 1.00 0.00 H new ATOM 0 HA ARG A 22 8.798 10.008 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.676 8.832 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.431 9.510 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.398 11.648 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.237 11.396 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.176 9.445 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.282 11.055 -2.754 1.00 0.00 H new ATOM 0 HE ARG A 22 12.855 9.985 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.532 13.087 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.773 14.020 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.368 11.247 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.333 13.006 0.343 1.00 0.00 H new ATOM 373 N LEU A 23 6.214 11.239 -0.207 1.00 0.00 N ATOM 374 CA LEU A 23 5.326 12.416 -0.245 1.00 0.00 C ATOM 375 C LEU A 23 4.996 12.919 1.170 1.00 0.00 C ATOM 376 O LEU A 23 5.473 13.962 1.593 1.00 0.00 O ATOM 377 CB LEU A 23 4.037 12.160 -1.036 1.00 0.00 C ATOM 378 CG LEU A 23 3.994 12.673 -2.487 1.00 0.00 C ATOM 379 CD1 LEU A 23 4.364 14.150 -2.605 1.00 0.00 C ATOM 380 CD2 LEU A 23 4.843 11.850 -3.449 1.00 0.00 C ATOM 0 H LEU A 23 5.835 10.413 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 23 5.879 13.195 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.857 11.085 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.209 12.614 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 23 2.951 12.554 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.316 14.455 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.665 14.748 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.375 14.303 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.765 12.269 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.884 11.873 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.488 10.819 -3.457 1.00 0.00 H new ATOM 392 N TYR A 24 4.356 12.108 1.995 1.00 0.00 N ATOM 393 CA TYR A 24 4.128 12.505 3.397 1.00 0.00 C ATOM 394 C TYR A 24 5.388 12.498 4.292 1.00 0.00 C ATOM 395 O TYR A 24 5.414 13.149 5.332 1.00 0.00 O ATOM 396 CB TYR A 24 3.034 11.600 3.923 1.00 0.00 C ATOM 397 CG TYR A 24 2.856 11.632 5.441 1.00 0.00 C ATOM 398 CD1 TYR A 24 3.607 10.777 6.229 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.945 12.506 6.006 1.00 0.00 C ATOM 400 CE1 TYR A 24 3.448 10.803 7.611 1.00 0.00 C ATOM 401 CE2 TYR A 24 1.775 12.527 7.384 1.00 0.00 C ATOM 402 CZ TYR A 24 2.522 11.668 8.175 1.00 0.00 C ATOM 403 OH TYR A 24 2.236 11.576 9.499 1.00 0.00 O ATOM 0 H TYR A 24 3.989 11.191 1.740 1.00 0.00 H new ATOM 0 HA TYR A 24 3.831 13.553 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.091 11.881 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.249 10.576 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.311 10.095 5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.368 13.169 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.041 10.155 8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.067 13.206 7.835 1.00 0.00 H new ATOM 0 HH TYR A 24 1.569 12.253 9.737 1.00 0.00 H new ATOM 413 N PHE A 25 6.421 11.795 3.841 1.00 0.00 N ATOM 414 CA PHE A 25 7.683 11.571 4.567 1.00 0.00 C ATOM 415 C PHE A 25 8.415 12.901 4.797 1.00 0.00 C ATOM 416 O PHE A 25 8.986 13.117 5.865 1.00 0.00 O ATOM 417 CB PHE A 25 8.537 10.644 3.699 1.00 0.00 C ATOM 418 CG PHE A 25 9.752 10.021 4.376 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.815 10.819 4.774 1.00 0.00 C ATOM 420 CD2 PHE A 25 9.758 8.658 4.623 1.00 0.00 C ATOM 421 CE1 PHE A 25 11.882 10.253 5.456 1.00 0.00 C ATOM 422 CE2 PHE A 25 10.834 8.087 5.295 1.00 0.00 C ATOM 423 CZ PHE A 25 11.891 8.888 5.713 1.00 0.00 C ATOM 0 H PHE A 25 6.410 11.345 2.926 1.00 0.00 H new ATOM 0 HA PHE A 25 7.492 11.128 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.901 9.840 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.879 11.207 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.812 11.876 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.933 8.043 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.703 10.872 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.848 7.025 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.724 8.446 6.240 1.00 0.00 H new ATOM 433 N GLY A 26 8.414 13.735 3.747 1.00 0.00 N ATOM 434 CA GLY A 26 9.015 15.082 3.811 1.00 0.00 C ATOM 435 C GLY A 26 8.607 16.025 2.670 1.00 0.00 C ATOM 436 O GLY A 26 9.353 16.923 2.304 1.00 0.00 O ATOM 0 H GLY A 26 8.005 13.504 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.740 15.542 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.100 14.981 3.809 1.00 0.00 H new ATOM 440 N GLU A 27 7.400 15.822 2.147 1.00 0.00 N ATOM 441 CA GLU A 27 6.805 16.715 1.134 1.00 0.00 C ATOM 442 C GLU A 27 5.488 17.350 1.611 1.00 0.00 C ATOM 443 O GLU A 27 4.908 18.144 0.876 1.00 0.00 O ATOM 444 CB GLU A 27 6.536 15.949 -0.167 1.00 0.00 C ATOM 445 CG GLU A 27 7.139 16.604 -1.407 1.00 0.00 C ATOM 446 CD GLU A 27 8.591 16.177 -1.638 1.00 0.00 C ATOM 447 OE1 GLU A 27 9.382 16.199 -0.671 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.876 15.834 -2.805 1.00 0.00 O ATOM 0 H GLU A 27 6.802 15.038 2.407 1.00 0.00 H new ATOM 0 HA GLU A 27 7.529 17.512 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.935 14.939 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.459 15.855 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.542 16.343 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.093 17.688 -1.302 1.00 0.00 H new ATOM 455 N ARG A 28 4.971 16.888 2.760 1.00 0.00 N ATOM 456 CA ARG A 28 3.673 17.301 3.343 1.00 0.00 C ATOM 457 C ARG A 28 2.530 17.376 2.309 1.00 0.00 C ATOM 458 O ARG A 28 1.620 18.203 2.371 1.00 0.00 O ATOM 459 CB ARG A 28 3.861 18.635 4.070 1.00 0.00 C ATOM 460 CG ARG A 28 3.338 18.557 5.502 1.00 0.00 C ATOM 461 CD ARG A 28 3.295 19.964 6.091 1.00 0.00 C ATOM 462 NE ARG A 28 2.904 19.908 7.509 1.00 0.00 N ATOM 463 CZ ARG A 28 2.445 20.930 8.234 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.216 22.123 7.699 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.167 20.761 9.518 1.00 0.00 N ATOM 0 H ARG A 28 5.455 16.195 3.331 1.00 0.00 H new ATOM 0 HA ARG A 28 3.363 16.531 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.918 18.902 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.337 19.424 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.343 18.112 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.982 17.916 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.272 20.437 5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.587 20.578 5.535 1.00 0.00 H new ATOM 0 HE ARG A 28 2.992 19.007 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.391 22.279 6.706 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.865 22.884 8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.304 19.849 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.816 21.543 10.071 1.00 0.00 H new ATOM 479 N ASN A 29 2.613 16.463 1.348 1.00 0.00 N ATOM 480 CA ASN A 29 1.695 16.432 0.205 1.00 0.00 C ATOM 481 C ASN A 29 1.037 15.053 0.113 1.00 0.00 C ATOM 482 O ASN A 29 1.291 14.238 -0.774 1.00 0.00 O ATOM 483 CB ASN A 29 2.476 16.844 -1.049 1.00 0.00 C ATOM 484 CG ASN A 29 1.578 17.434 -2.139 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.445 17.836 -1.918 1.00 0.00 O ATOM 486 ND2 ASN A 29 2.033 17.392 -3.371 1.00 0.00 N ATOM 0 H ASN A 29 3.315 15.723 1.335 1.00 0.00 H new ATOM 0 HA ASN A 29 0.876 17.142 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.235 17.576 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.000 15.975 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.441 17.695 -4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.979 17.056 -3.554 1.00 0.00 H new ATOM 493 N VAL A 30 0.136 14.862 1.075 1.00 0.00 N ATOM 494 CA VAL A 30 -0.751 13.679 1.160 1.00 0.00 C ATOM 495 C VAL A 30 -1.661 13.578 -0.088 1.00 0.00 C ATOM 496 O VAL A 30 -2.027 12.491 -0.522 1.00 0.00 O ATOM 497 CB VAL A 30 -1.542 13.677 2.487 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.422 12.435 2.657 1.00 0.00 C ATOM 499 CG2 VAL A 30 -0.600 13.723 3.692 1.00 0.00 C ATOM 0 H VAL A 30 -0.009 15.528 1.834 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.135 12.779 1.166 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.172 14.565 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.952 12.492 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.144 12.386 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.797 11.542 2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.185 13.721 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.054 12.851 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.003 14.630 3.648 1.00 0.00 H new ATOM 509 N LYS A 31 -1.820 14.704 -0.781 1.00 0.00 N ATOM 510 CA LYS A 31 -2.520 14.762 -2.076 1.00 0.00 C ATOM 511 C LYS A 31 -1.750 14.010 -3.183 1.00 0.00 C ATOM 512 O LYS A 31 -2.320 13.191 -3.901 1.00 0.00 O ATOM 513 CB LYS A 31 -2.758 16.242 -2.411 1.00 0.00 C ATOM 514 CG LYS A 31 -3.311 16.543 -3.812 1.00 0.00 C ATOM 515 CD LYS A 31 -4.490 15.637 -4.171 1.00 0.00 C ATOM 516 CE LYS A 31 -5.611 16.390 -4.874 1.00 0.00 C ATOM 517 NZ LYS A 31 -6.702 15.444 -5.129 1.00 0.00 N ATOM 0 H LYS A 31 -1.468 15.608 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.480 14.250 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.449 16.652 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.815 16.775 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.627 17.585 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.518 16.416 -4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.141 14.829 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.880 15.176 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.960 17.217 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.253 16.820 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.482 15.935 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.357 14.670 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.042 15.055 -4.227 1.00 0.00 H new ATOM 531 N GLY A 32 -0.425 14.210 -3.202 1.00 0.00 N ATOM 532 CA GLY A 32 0.490 13.574 -4.173 1.00 0.00 C ATOM 533 C GLY A 32 0.514 12.044 -4.036 1.00 0.00 C ATOM 534 O GLY A 32 0.153 11.317 -4.960 1.00 0.00 O ATOM 0 H GLY A 32 0.051 14.823 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.185 13.841 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.497 13.965 -4.030 1.00 0.00 H new ATOM 538 N MET A 33 0.848 11.581 -2.832 1.00 0.00 N ATOM 539 CA MET A 33 0.839 10.143 -2.481 1.00 0.00 C ATOM 540 C MET A 33 -0.494 9.447 -2.791 1.00 0.00 C ATOM 541 O MET A 33 -0.524 8.281 -3.181 1.00 0.00 O ATOM 542 CB MET A 33 1.149 9.941 -0.997 1.00 0.00 C ATOM 543 CG MET A 33 0.099 10.531 -0.065 1.00 0.00 C ATOM 544 SD MET A 33 0.397 10.243 1.701 1.00 0.00 S ATOM 545 CE MET A 33 -0.594 8.779 1.903 1.00 0.00 C ATOM 0 H MET A 33 1.135 12.187 -2.063 1.00 0.00 H new ATOM 0 HA MET A 33 1.611 9.691 -3.103 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.241 8.874 -0.796 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.116 10.392 -0.772 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.043 11.606 -0.239 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.874 10.115 -0.327 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.415 8.987 2.589 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.996 8.476 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.022 7.976 2.308 1.00 0.00 H new ATOM 555 N PHE A 34 -1.570 10.216 -2.650 1.00 0.00 N ATOM 556 CA PHE A 34 -2.935 9.776 -2.948 1.00 0.00 C ATOM 557 C PHE A 34 -3.143 9.414 -4.424 1.00 0.00 C ATOM 558 O PHE A 34 -4.015 8.618 -4.738 1.00 0.00 O ATOM 559 CB PHE A 34 -3.915 10.875 -2.552 1.00 0.00 C ATOM 560 CG PHE A 34 -5.164 10.331 -1.859 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.594 9.017 -2.011 1.00 0.00 C ATOM 562 CD2 PHE A 34 -5.865 11.208 -1.041 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.731 8.576 -1.355 1.00 0.00 C ATOM 564 CE2 PHE A 34 -7.007 10.767 -0.387 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.431 9.457 -0.548 1.00 0.00 C ATOM 0 H PHE A 34 -1.520 11.180 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.113 8.868 -2.371 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.415 11.580 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.211 11.430 -3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.039 8.339 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.524 12.225 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.068 7.557 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.564 11.443 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.320 9.119 -0.037 1.00 0.00 H new ATOM 575 N GLU A 35 -2.273 9.923 -5.291 1.00 0.00 N ATOM 576 CA GLU A 35 -2.294 9.617 -6.729 1.00 0.00 C ATOM 577 C GLU A 35 -1.548 8.314 -7.060 1.00 0.00 C ATOM 578 O GLU A 35 -1.985 7.585 -7.943 1.00 0.00 O ATOM 579 CB GLU A 35 -1.707 10.803 -7.492 1.00 0.00 C ATOM 580 CG GLU A 35 -1.980 10.702 -8.994 1.00 0.00 C ATOM 581 CD GLU A 35 -1.465 11.934 -9.740 1.00 0.00 C ATOM 582 OE1 GLU A 35 -0.262 12.243 -9.587 1.00 0.00 O ATOM 583 OE2 GLU A 35 -2.286 12.519 -10.478 1.00 0.00 O ATOM 0 H GLU A 35 -1.527 10.564 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.327 9.457 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.132 11.730 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.632 10.850 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.502 9.807 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.051 10.593 -9.164 1.00 0.00 H new ATOM 590 N VAL A 36 -0.437 8.042 -6.376 1.00 0.00 N ATOM 591 CA VAL A 36 0.286 6.762 -6.543 1.00 0.00 C ATOM 592 C VAL A 36 -0.389 5.615 -5.759 1.00 0.00 C ATOM 593 O VAL A 36 -0.441 4.479 -6.224 1.00 0.00 O ATOM 594 CB VAL A 36 1.791 6.958 -6.266 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.139 7.071 -4.785 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.637 5.889 -6.961 1.00 0.00 C ATOM 0 H VAL A 36 -0.013 8.680 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 36 0.221 6.438 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 36 2.042 7.926 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.215 7.207 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.618 7.926 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.833 6.161 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.691 6.060 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.347 4.903 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.477 5.941 -8.038 1.00 0.00 H new ATOM 606 N LEU A 37 -0.989 5.963 -4.623 1.00 0.00 N ATOM 607 CA LEU A 37 -1.813 5.054 -3.808 1.00 0.00 C ATOM 608 C LEU A 37 -3.220 4.805 -4.339 1.00 0.00 C ATOM 609 O LEU A 37 -3.751 3.720 -4.139 1.00 0.00 O ATOM 610 CB LEU A 37 -1.849 5.514 -2.347 1.00 0.00 C ATOM 611 CG LEU A 37 -0.725 4.988 -1.437 1.00 0.00 C ATOM 612 CD1 LEU A 37 -1.342 4.026 -0.441 1.00 0.00 C ATOM 613 CD2 LEU A 37 0.395 4.223 -2.138 1.00 0.00 C ATOM 0 H LEU A 37 -0.919 6.902 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.316 4.086 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.820 6.603 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.805 5.214 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.273 5.877 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.566 3.637 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.093 4.548 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.811 3.200 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.131 3.900 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.021 3.351 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.875 4.872 -2.871 1.00 0.00 H new ATOM 625 N GLU A 38 -3.743 5.744 -5.119 1.00 0.00 N ATOM 626 CA GLU A 38 -5.021 5.576 -5.836 1.00 0.00 C ATOM 627 C GLU A 38 -5.062 4.264 -6.658 1.00 0.00 C ATOM 628 O GLU A 38 -5.866 3.397 -6.315 1.00 0.00 O ATOM 629 CB GLU A 38 -5.282 6.806 -6.711 1.00 0.00 C ATOM 630 CG GLU A 38 -6.591 7.502 -6.345 1.00 0.00 C ATOM 631 CD GLU A 38 -7.508 7.599 -7.566 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.602 6.589 -8.303 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.101 8.684 -7.739 1.00 0.00 O ATOM 0 H GLU A 38 -3.299 6.648 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.821 5.493 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.456 7.509 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.312 6.506 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.092 6.951 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.383 8.500 -5.959 1.00 0.00 H new ATOM 640 N PRO A 39 -4.094 3.976 -7.553 1.00 0.00 N ATOM 641 CA PRO A 39 -4.060 2.682 -8.248 1.00 0.00 C ATOM 642 C PRO A 39 -3.658 1.547 -7.304 1.00 0.00 C ATOM 643 O PRO A 39 -4.378 0.561 -7.262 1.00 0.00 O ATOM 644 CB PRO A 39 -3.102 2.864 -9.423 1.00 0.00 C ATOM 645 CG PRO A 39 -2.107 3.896 -8.907 1.00 0.00 C ATOM 646 CD PRO A 39 -2.969 4.803 -8.027 1.00 0.00 C ATOM 0 HA PRO A 39 -5.045 2.389 -8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.610 1.929 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.621 3.216 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.302 3.430 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.642 4.450 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.392 5.192 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.330 5.663 -8.591 1.00 0.00 H new ATOM 654 N LEU A 40 -2.728 1.779 -6.380 1.00 0.00 N ATOM 655 CA LEU A 40 -2.327 0.771 -5.376 1.00 0.00 C ATOM 656 C LEU A 40 -3.438 0.318 -4.407 1.00 0.00 C ATOM 657 O LEU A 40 -3.348 -0.745 -3.798 1.00 0.00 O ATOM 658 CB LEU A 40 -1.103 1.304 -4.637 1.00 0.00 C ATOM 659 CG LEU A 40 0.100 1.433 -5.573 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.167 2.260 -4.883 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.703 0.074 -5.919 1.00 0.00 C ATOM 0 H LEU A 40 -2.228 2.664 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.091 -0.147 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.333 2.276 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.854 0.636 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.243 1.904 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.031 2.360 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.769 3.249 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.469 1.767 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.554 0.213 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.034 -0.420 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.048 -0.542 -6.413 1.00 0.00 H new ATOM 673 N HIS A 41 -4.485 1.134 -4.305 1.00 0.00 N ATOM 674 CA HIS A 41 -5.733 0.832 -3.581 1.00 0.00 C ATOM 675 C HIS A 41 -6.659 -0.034 -4.456 1.00 0.00 C ATOM 676 O HIS A 41 -7.211 -1.034 -4.011 1.00 0.00 O ATOM 677 CB HIS A 41 -6.358 2.166 -3.110 1.00 0.00 C ATOM 678 CG HIS A 41 -7.734 2.572 -3.667 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.790 1.767 -3.792 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.021 3.704 -4.301 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.705 2.388 -4.531 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.227 3.586 -4.850 1.00 0.00 N ATOM 0 H HIS A 41 -4.495 2.058 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.545 0.235 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.439 2.128 -2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.655 2.964 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.383 4.573 -4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.666 1.989 -4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -9.701 4.290 -5.416 1.00 0.00 H new ATOM 690 N ALA A 42 -6.860 0.370 -5.707 1.00 0.00 N ATOM 691 CA ALA A 42 -7.763 -0.343 -6.635 1.00 0.00 C ATOM 692 C ALA A 42 -7.162 -1.672 -7.124 1.00 0.00 C ATOM 693 O ALA A 42 -7.798 -2.719 -7.025 1.00 0.00 O ATOM 694 CB ALA A 42 -8.130 0.567 -7.807 1.00 0.00 C ATOM 0 H ALA A 42 -6.411 1.191 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.672 -0.598 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.796 0.035 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.632 1.459 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.224 0.857 -8.340 1.00 0.00 H new ATOM 700 N MET A 43 -5.848 -1.628 -7.332 1.00 0.00 N ATOM 701 CA MET A 43 -4.988 -2.780 -7.651 1.00 0.00 C ATOM 702 C MET A 43 -4.863 -3.747 -6.466 1.00 0.00 C ATOM 703 O MET A 43 -4.196 -4.756 -6.593 1.00 0.00 O ATOM 704 CB MET A 43 -3.579 -2.331 -8.065 1.00 0.00 C ATOM 705 CG MET A 43 -3.536 -1.642 -9.430 1.00 0.00 C ATOM 706 SD MET A 43 -2.450 -2.505 -10.622 1.00 0.00 S ATOM 707 CE MET A 43 -3.666 -3.358 -11.600 1.00 0.00 C ATOM 0 H MET A 43 -5.325 -0.754 -7.282 1.00 0.00 H new ATOM 0 HA MET A 43 -5.468 -3.294 -8.483 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.187 -1.650 -7.310 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.920 -3.199 -8.084 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.546 -1.588 -9.837 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.188 -0.617 -9.304 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.167 -3.936 -12.378 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.241 -4.029 -10.962 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.337 -2.633 -12.060 1.00 0.00 H new ATOM 717 N MET A 44 -5.327 -3.368 -5.281 1.00 0.00 N ATOM 718 CA MET A 44 -5.367 -4.281 -4.123 1.00 0.00 C ATOM 719 C MET A 44 -6.804 -4.713 -3.760 1.00 0.00 C ATOM 720 O MET A 44 -7.002 -5.739 -3.114 1.00 0.00 O ATOM 721 CB MET A 44 -4.595 -3.615 -2.974 1.00 0.00 C ATOM 722 CG MET A 44 -4.408 -4.497 -1.735 1.00 0.00 C ATOM 723 SD MET A 44 -5.785 -4.358 -0.538 1.00 0.00 S ATOM 724 CE MET A 44 -5.769 -5.986 0.177 1.00 0.00 C ATOM 0 H MET A 44 -5.684 -2.433 -5.087 1.00 0.00 H new ATOM 0 HA MET A 44 -4.877 -5.224 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.614 -3.313 -3.340 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.119 -2.706 -2.681 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.311 -5.537 -2.048 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.476 -4.225 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.555 -6.061 0.929 1.00 0.00 H new ATOM 0 HE2 MET A 44 -5.941 -6.728 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.801 -6.169 0.644 1.00 0.00 H new ATOM 734 N GLU A 45 -7.788 -4.047 -4.363 1.00 0.00 N ATOM 735 CA GLU A 45 -9.215 -4.342 -4.140 1.00 0.00 C ATOM 736 C GLU A 45 -9.832 -5.216 -5.243 1.00 0.00 C ATOM 737 O GLU A 45 -10.658 -6.068 -4.928 1.00 0.00 O ATOM 738 CB GLU A 45 -10.005 -3.040 -4.014 1.00 0.00 C ATOM 739 CG GLU A 45 -11.327 -3.286 -3.277 1.00 0.00 C ATOM 740 CD GLU A 45 -12.549 -3.133 -4.181 1.00 0.00 C ATOM 741 OE1 GLU A 45 -12.666 -2.043 -4.784 1.00 0.00 O ATOM 742 OE2 GLU A 45 -13.397 -4.048 -4.146 1.00 0.00 O ATOM 0 H GLU A 45 -7.625 -3.286 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.273 -4.912 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.414 -2.299 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.204 -2.631 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.319 -4.290 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.408 -2.588 -2.444 1.00 0.00 H new ATOM 749 N ARG A 46 -9.396 -5.017 -6.490 1.00 0.00 N ATOM 750 CA ARG A 46 -9.859 -5.783 -7.668 1.00 0.00 C ATOM 751 C ARG A 46 -9.788 -7.304 -7.436 1.00 0.00 C ATOM 752 O ARG A 46 -10.649 -8.052 -7.895 1.00 0.00 O ATOM 753 CB ARG A 46 -8.993 -5.368 -8.865 1.00 0.00 C ATOM 754 CG ARG A 46 -9.833 -4.924 -10.066 1.00 0.00 C ATOM 755 CD ARG A 46 -10.112 -6.084 -11.024 1.00 0.00 C ATOM 756 NE ARG A 46 -11.104 -5.686 -12.039 1.00 0.00 N ATOM 757 CZ ARG A 46 -11.647 -6.489 -12.959 1.00 0.00 C ATOM 758 NH1 ARG A 46 -11.276 -7.756 -13.084 1.00 0.00 N ATOM 759 NH2 ARG A 46 -12.581 -6.033 -13.782 1.00 0.00 N ATOM 0 H ARG A 46 -8.699 -4.309 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.908 -5.557 -7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.331 -4.555 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.358 -6.204 -9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.777 -4.507 -9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.312 -4.129 -10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.187 -6.392 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.479 -6.945 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.403 -4.711 -12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.559 -8.141 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.708 -8.346 -13.795 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.890 -5.063 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.991 -6.652 -14.482 1.00 0.00 H new ATOM 773 N GLY A 47 -8.781 -7.698 -6.647 1.00 0.00 N ATOM 774 CA GLY A 47 -8.620 -9.086 -6.187 1.00 0.00 C ATOM 775 C GLY A 47 -7.477 -9.781 -6.943 1.00 0.00 C ATOM 776 O GLY A 47 -7.177 -9.400 -8.073 1.00 0.00 O ATOM 0 H GLY A 47 -8.055 -7.066 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.414 -9.098 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.549 -9.635 -6.339 1.00 0.00 H new ATOM 780 N PRO A 48 -6.780 -10.731 -6.300 1.00 0.00 N ATOM 781 CA PRO A 48 -5.698 -11.476 -6.968 1.00 0.00 C ATOM 782 C PRO A 48 -6.256 -12.380 -8.078 1.00 0.00 C ATOM 783 O PRO A 48 -7.446 -12.687 -8.113 1.00 0.00 O ATOM 784 CB PRO A 48 -5.008 -12.247 -5.840 1.00 0.00 C ATOM 785 CG PRO A 48 -6.128 -12.488 -4.829 1.00 0.00 C ATOM 786 CD PRO A 48 -6.986 -11.224 -4.923 1.00 0.00 C ATOM 0 HA PRO A 48 -4.986 -10.830 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.583 -13.185 -6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.191 -11.672 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.703 -13.381 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.734 -12.630 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.037 -11.444 -4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.679 -10.481 -4.187 1.00 0.00 H new ATOM 794 N GLN A 49 -5.382 -12.686 -9.030 1.00 0.00 N ATOM 795 CA GLN A 49 -5.710 -13.554 -10.179 1.00 0.00 C ATOM 796 C GLN A 49 -5.214 -14.990 -9.927 1.00 0.00 C ATOM 797 O GLN A 49 -6.007 -15.875 -9.629 1.00 0.00 O ATOM 798 CB GLN A 49 -5.101 -12.947 -11.454 1.00 0.00 C ATOM 799 CG GLN A 49 -5.376 -13.748 -12.736 1.00 0.00 C ATOM 800 CD GLN A 49 -6.631 -13.315 -13.499 1.00 0.00 C ATOM 801 OE1 GLN A 49 -7.109 -12.193 -13.422 1.00 0.00 O ATOM 802 NE2 GLN A 49 -7.133 -14.185 -14.347 1.00 0.00 N ATOM 0 H GLN A 49 -4.421 -12.344 -9.036 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.791 -13.611 -10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.490 -11.937 -11.582 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.023 -12.859 -11.320 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.515 -13.657 -13.398 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.469 -14.803 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.735 -15.122 -14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.921 -13.923 -14.940 1.00 0.00 H new ATOM 811 N THR A 50 -3.901 -15.179 -10.088 1.00 0.00 N ATOM 812 CA THR A 50 -3.212 -16.475 -9.908 1.00 0.00 C ATOM 813 C THR A 50 -3.333 -16.964 -8.451 1.00 0.00 C ATOM 814 O THR A 50 -4.387 -17.443 -8.043 1.00 0.00 O ATOM 815 CB THR A 50 -1.770 -16.466 -10.496 1.00 0.00 C ATOM 816 OG1 THR A 50 -1.000 -17.571 -10.011 1.00 0.00 O ATOM 817 CG2 THR A 50 -0.977 -15.172 -10.278 1.00 0.00 C ATOM 0 H THR A 50 -3.268 -14.424 -10.353 1.00 0.00 H new ATOM 0 HA THR A 50 -3.723 -17.231 -10.505 1.00 0.00 H new ATOM 0 HB THR A 50 -1.932 -16.549 -11.571 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.101 -17.539 -10.399 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.012 -15.271 -10.726 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.504 -14.339 -10.744 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.874 -14.984 -9.209 1.00 0.00 H new ATOM 825 N LEU A 51 -2.291 -16.700 -7.668 1.00 0.00 N ATOM 826 CA LEU A 51 -2.146 -17.077 -6.244 1.00 0.00 C ATOM 827 C LEU A 51 -0.741 -16.728 -5.722 1.00 0.00 C ATOM 828 O LEU A 51 -0.110 -17.454 -4.956 1.00 0.00 O ATOM 829 CB LEU A 51 -2.426 -18.577 -6.067 1.00 0.00 C ATOM 830 CG LEU A 51 -3.500 -18.794 -5.001 1.00 0.00 C ATOM 831 CD1 LEU A 51 -4.297 -20.056 -5.324 1.00 0.00 C ATOM 832 CD2 LEU A 51 -2.856 -18.923 -3.617 1.00 0.00 C ATOM 0 H LEU A 51 -1.478 -16.192 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.872 -16.509 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.752 -19.007 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.510 -19.094 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.171 -17.935 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.062 -20.208 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.772 -19.947 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.627 -20.915 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.632 -19.077 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.172 -19.772 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.304 -18.012 -3.386 1.00 0.00 H new ATOM 844 N LYS A 52 -0.238 -15.598 -6.208 1.00 0.00 N ATOM 845 CA LYS A 52 1.119 -15.127 -5.866 1.00 0.00 C ATOM 846 C LYS A 52 1.079 -13.720 -5.242 1.00 0.00 C ATOM 847 O LYS A 52 1.747 -13.441 -4.248 1.00 0.00 O ATOM 848 CB LYS A 52 2.053 -15.182 -7.087 1.00 0.00 C ATOM 849 CG LYS A 52 1.983 -16.492 -7.883 1.00 0.00 C ATOM 850 CD LYS A 52 3.335 -16.978 -8.409 1.00 0.00 C ATOM 851 CE LYS A 52 3.986 -17.932 -7.405 1.00 0.00 C ATOM 852 NZ LYS A 52 5.092 -18.677 -8.025 1.00 0.00 N ATOM 0 H LYS A 52 -0.745 -14.982 -6.844 1.00 0.00 H new ATOM 0 HA LYS A 52 1.528 -15.804 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.809 -14.354 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.079 -15.030 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.552 -17.267 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.305 -16.356 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.200 -17.483 -9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.990 -16.126 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.358 -17.367 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.240 -18.631 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.516 -19.317 -7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.730 -19.233 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.813 -18.009 -8.365 1.00 0.00 H new ATOM 866 N GLU A 53 0.204 -12.866 -5.782 1.00 0.00 N ATOM 867 CA GLU A 53 -0.076 -11.512 -5.248 1.00 0.00 C ATOM 868 C GLU A 53 -0.985 -11.553 -3.992 1.00 0.00 C ATOM 869 O GLU A 53 -1.979 -10.835 -3.940 1.00 0.00 O ATOM 870 CB GLU A 53 -0.747 -10.604 -6.301 1.00 0.00 C ATOM 871 CG GLU A 53 -0.163 -10.549 -7.710 1.00 0.00 C ATOM 872 CD GLU A 53 -1.059 -11.304 -8.688 1.00 0.00 C ATOM 873 OE1 GLU A 53 -1.980 -10.669 -9.239 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.876 -12.539 -8.754 1.00 0.00 O ATOM 0 H GLU A 53 -0.342 -13.090 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 53 0.896 -11.101 -4.976 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.788 -10.915 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.750 -9.588 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.061 -9.511 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.837 -10.983 -7.713 1.00 0.00 H new ATOM 881 N THR A 54 -0.573 -12.331 -2.982 1.00 0.00 N ATOM 882 CA THR A 54 -1.291 -12.606 -1.699 1.00 0.00 C ATOM 883 C THR A 54 -0.390 -13.399 -0.718 1.00 0.00 C ATOM 884 O THR A 54 -0.748 -14.394 -0.094 1.00 0.00 O ATOM 885 CB THR A 54 -2.721 -13.178 -1.952 1.00 0.00 C ATOM 886 OG1 THR A 54 -3.582 -12.072 -2.214 1.00 0.00 O ATOM 887 CG2 THR A 54 -3.443 -13.970 -0.854 1.00 0.00 C ATOM 0 H THR A 54 0.321 -12.821 -3.027 1.00 0.00 H new ATOM 0 HA THR A 54 -1.487 -11.669 -1.177 1.00 0.00 H new ATOM 0 HB THR A 54 -2.539 -13.898 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.275 -11.601 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.422 -14.284 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.854 -14.849 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.567 -13.340 0.027 1.00 0.00 H new ATOM 895 N SER A 55 0.806 -12.856 -0.496 1.00 0.00 N ATOM 896 CA SER A 55 1.768 -13.430 0.482 1.00 0.00 C ATOM 897 C SER A 55 2.057 -12.524 1.689 1.00 0.00 C ATOM 898 O SER A 55 2.464 -12.971 2.757 1.00 0.00 O ATOM 899 CB SER A 55 3.086 -13.864 -0.171 1.00 0.00 C ATOM 900 OG SER A 55 2.840 -14.991 -1.014 1.00 0.00 O ATOM 0 H SER A 55 1.145 -12.020 -0.973 1.00 0.00 H new ATOM 0 HA SER A 55 1.257 -14.314 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.506 -13.043 -0.753 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.819 -14.119 0.594 1.00 0.00 H new ATOM 0 HG SER A 55 3.678 -15.273 -1.436 1.00 0.00 H new ATOM 906 N PHE A 56 1.692 -11.261 1.514 1.00 0.00 N ATOM 907 CA PHE A 56 1.826 -10.166 2.494 1.00 0.00 C ATOM 908 C PHE A 56 0.483 -9.784 3.147 1.00 0.00 C ATOM 909 O PHE A 56 0.442 -9.429 4.323 1.00 0.00 O ATOM 910 CB PHE A 56 2.468 -8.970 1.778 1.00 0.00 C ATOM 911 CG PHE A 56 1.778 -8.631 0.446 1.00 0.00 C ATOM 912 CD1 PHE A 56 2.114 -9.330 -0.708 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.791 -7.660 0.406 1.00 0.00 C ATOM 914 CE1 PHE A 56 1.463 -9.045 -1.905 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.157 -7.358 -0.796 1.00 0.00 C ATOM 916 CZ PHE A 56 0.496 -8.051 -1.950 1.00 0.00 C ATOM 0 H PHE A 56 1.270 -10.945 0.641 1.00 0.00 H new ATOM 0 HA PHE A 56 2.459 -10.498 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.432 -8.099 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.520 -9.186 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.878 -10.092 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.513 -7.136 1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.711 -9.598 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.597 -6.586 -0.831 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.007 -7.816 -2.884 1.00 0.00 H new ATOM 926 N ASN A 57 -0.607 -9.994 2.406 1.00 0.00 N ATOM 927 CA ASN A 57 -1.981 -9.817 2.912 1.00 0.00 C ATOM 928 C ASN A 57 -2.375 -10.916 3.913 1.00 0.00 C ATOM 929 O ASN A 57 -3.048 -10.641 4.897 1.00 0.00 O ATOM 930 CB ASN A 57 -2.963 -9.760 1.734 1.00 0.00 C ATOM 931 CG ASN A 57 -4.417 -9.704 2.213 1.00 0.00 C ATOM 932 OD1 ASN A 57 -4.902 -8.700 2.712 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.076 -10.843 2.195 1.00 0.00 N ATOM 0 H ASN A 57 -0.567 -10.293 1.432 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.023 -8.873 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.747 -8.884 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.822 -10.635 1.100 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.009 -10.899 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.653 -11.670 1.773 1.00 0.00 H new ATOM 940 N GLN A 58 -1.903 -12.138 3.676 1.00 0.00 N ATOM 941 CA GLN A 58 -2.203 -13.284 4.553 1.00 0.00 C ATOM 942 C GLN A 58 -1.477 -13.228 5.901 1.00 0.00 C ATOM 943 O GLN A 58 -2.091 -13.379 6.954 1.00 0.00 O ATOM 944 CB GLN A 58 -1.909 -14.600 3.834 1.00 0.00 C ATOM 945 CG GLN A 58 -3.200 -15.229 3.301 1.00 0.00 C ATOM 946 CD GLN A 58 -4.141 -15.615 4.448 1.00 0.00 C ATOM 947 OE1 GLN A 58 -5.028 -14.876 4.847 1.00 0.00 O ATOM 948 NE2 GLN A 58 -3.942 -16.789 5.005 1.00 0.00 N ATOM 0 H GLN A 58 -1.307 -12.368 2.881 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.267 -13.226 4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.218 -14.423 3.010 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.418 -15.292 4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.702 -14.527 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.960 -16.113 2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.198 -17.397 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.532 -17.092 5.780 1.00 0.00 H new ATOM 957 N ALA A 59 -0.204 -12.848 5.836 1.00 0.00 N ATOM 958 CA ALA A 59 0.632 -12.678 7.035 1.00 0.00 C ATOM 959 C ALA A 59 0.204 -11.431 7.832 1.00 0.00 C ATOM 960 O ALA A 59 0.229 -11.422 9.060 1.00 0.00 O ATOM 961 CB ALA A 59 2.101 -12.626 6.605 1.00 0.00 C ATOM 0 H ALA A 59 0.280 -12.649 4.961 1.00 0.00 H new ATOM 0 HA ALA A 59 0.500 -13.525 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.733 -12.500 7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.365 -13.554 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.252 -11.787 5.926 1.00 0.00 H new ATOM 967 N TYR A 60 -0.236 -10.404 7.105 1.00 0.00 N ATOM 968 CA TYR A 60 -0.733 -9.156 7.698 1.00 0.00 C ATOM 969 C TYR A 60 -2.133 -8.875 7.130 1.00 0.00 C ATOM 970 O TYR A 60 -2.302 -8.003 6.285 1.00 0.00 O ATOM 971 CB TYR A 60 0.250 -8.017 7.372 1.00 0.00 C ATOM 972 CG TYR A 60 1.689 -8.211 7.860 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.437 -9.291 7.422 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.198 -7.369 8.838 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.654 -9.593 8.014 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.436 -7.643 9.409 1.00 0.00 C ATOM 977 CZ TYR A 60 4.144 -8.761 9.008 1.00 0.00 C ATOM 978 OH TYR A 60 5.325 -9.052 9.605 1.00 0.00 O ATOM 0 H TYR A 60 -0.259 -10.411 6.085 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.806 -9.236 8.783 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.270 -7.879 6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.138 -7.094 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.069 -9.904 6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.635 -6.504 9.155 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.212 -10.464 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.843 -6.985 10.163 1.00 0.00 H new ATOM 0 HH TYR A 60 5.528 -8.370 10.279 1.00 0.00 H new ATOM 988 N GLY A 61 -3.150 -9.562 7.669 1.00 0.00 N ATOM 989 CA GLY A 61 -4.570 -9.335 7.286 1.00 0.00 C ATOM 990 C GLY A 61 -5.047 -7.884 7.489 1.00 0.00 C ATOM 991 O GLY A 61 -6.058 -7.437 6.961 1.00 0.00 O ATOM 0 H GLY A 61 -3.025 -10.286 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.702 -9.607 6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.205 -10.001 7.871 1.00 0.00 H new ATOM 995 N ARG A 62 -4.298 -7.192 8.334 1.00 0.00 N ATOM 996 CA ARG A 62 -4.473 -5.781 8.725 1.00 0.00 C ATOM 997 C ARG A 62 -3.610 -4.794 7.913 1.00 0.00 C ATOM 998 O ARG A 62 -3.694 -3.594 8.144 1.00 0.00 O ATOM 999 CB ARG A 62 -4.159 -5.619 10.221 1.00 0.00 C ATOM 1000 CG ARG A 62 -2.774 -6.161 10.594 1.00 0.00 C ATOM 1001 CD ARG A 62 -2.848 -7.626 11.043 1.00 0.00 C ATOM 1002 NE ARG A 62 -2.782 -7.672 12.513 1.00 0.00 N ATOM 1003 CZ ARG A 62 -1.689 -7.427 13.241 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -0.520 -7.156 12.673 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -1.745 -7.463 14.562 1.00 0.00 N ATOM 0 H ARG A 62 -3.498 -7.618 8.801 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.512 -5.532 8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.216 -4.564 10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.918 -6.138 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.105 -6.075 9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.348 -5.555 11.394 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.773 -8.083 10.692 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.026 -8.196 10.610 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.638 -7.909 13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.441 -7.131 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.299 -6.973 13.253 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.626 -7.679 15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.908 -7.275 15.113 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.739 -5.317 7.041 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.856 -4.547 6.134 1.00 0.00 C ATOM 1021 C ASP A 63 -2.663 -3.595 5.220 1.00 0.00 C ATOM 1022 O ASP A 63 -3.634 -2.974 5.647 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.989 -5.536 5.322 1.00 0.00 C ATOM 1024 CG ASP A 63 -1.676 -6.357 4.209 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -2.928 -6.390 4.182 1.00 0.00 O ATOM 1026 OD2 ASP A 63 -0.944 -6.688 3.251 1.00 0.00 O ATOM 0 H ASP A 63 -2.620 -6.325 6.938 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.202 -3.907 6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.176 -4.971 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.537 -6.237 6.023 1.00 0.00 H new ATOM 1031 N LEU A 64 -2.316 -3.548 3.936 1.00 0.00 N ATOM 1032 CA LEU A 64 -3.142 -2.920 2.894 1.00 0.00 C ATOM 1033 C LEU A 64 -4.644 -3.172 2.982 1.00 0.00 C ATOM 1034 O LEU A 64 -5.392 -2.213 2.898 1.00 0.00 O ATOM 1035 CB LEU A 64 -2.651 -3.282 1.492 1.00 0.00 C ATOM 1036 CG LEU A 64 -1.674 -2.246 0.925 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -2.219 -0.821 1.088 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -0.258 -2.417 1.481 1.00 0.00 C ATOM 0 H LEU A 64 -1.447 -3.947 3.581 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.011 -1.855 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.164 -4.257 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.507 -3.373 0.823 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.588 -2.426 -0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.504 -0.109 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.167 -0.731 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.374 -0.609 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.396 -1.660 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.277 -2.305 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.116 -3.408 1.225 1.00 0.00 H new ATOM 1050 N MET A 65 -5.037 -4.343 3.462 1.00 0.00 N ATOM 1051 CA MET A 65 -6.450 -4.670 3.713 1.00 0.00 C ATOM 1052 C MET A 65 -7.160 -3.624 4.600 1.00 0.00 C ATOM 1053 O MET A 65 -8.112 -2.989 4.152 1.00 0.00 O ATOM 1054 CB MET A 65 -6.451 -6.036 4.378 1.00 0.00 C ATOM 1055 CG MET A 65 -7.483 -6.951 3.735 1.00 0.00 C ATOM 1056 SD MET A 65 -8.608 -7.686 4.971 1.00 0.00 S ATOM 1057 CE MET A 65 -9.360 -8.917 3.932 1.00 0.00 C ATOM 0 H MET A 65 -4.392 -5.099 3.691 1.00 0.00 H new ATOM 0 HA MET A 65 -7.006 -4.670 2.776 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.461 -6.485 4.298 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.667 -5.928 5.441 1.00 0.00 H new ATOM 0 HG2 MET A 65 -8.064 -6.386 3.006 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.974 -7.746 3.190 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.091 -9.484 4.509 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.859 -8.430 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.593 -9.593 3.555 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.495 -3.228 5.686 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.002 -2.172 6.584 1.00 0.00 C ATOM 1069 C GLU A 66 -6.506 -0.772 6.173 1.00 0.00 C ATOM 1070 O GLU A 66 -7.310 0.156 6.152 1.00 0.00 O ATOM 1071 CB GLU A 66 -6.641 -2.499 8.031 1.00 0.00 C ATOM 1072 CG GLU A 66 -7.827 -2.234 8.958 1.00 0.00 C ATOM 1073 CD GLU A 66 -7.443 -2.504 10.413 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -6.962 -1.543 11.051 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -7.629 -3.660 10.852 1.00 0.00 O ATOM 0 H GLU A 66 -5.598 -3.621 5.972 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.088 -2.147 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.339 -3.544 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.788 -1.897 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.157 -1.201 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.667 -2.869 8.674 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.294 -0.710 5.612 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.701 0.503 5.001 1.00 0.00 C ATOM 1084 C ALA A 67 -5.432 1.018 3.738 1.00 0.00 C ATOM 1085 O ALA A 67 -5.126 2.086 3.213 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.216 0.262 4.714 1.00 0.00 C ATOM 0 H ALA A 67 -4.675 -1.519 5.565 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.821 1.300 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.783 1.156 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.697 0.036 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.110 -0.578 4.027 1.00 0.00 H new ATOM 1092 N GLN A 68 -6.384 0.221 3.266 1.00 0.00 N ATOM 1093 CA GLN A 68 -7.287 0.507 2.137 1.00 0.00 C ATOM 1094 C GLN A 68 -8.758 0.491 2.573 1.00 0.00 C ATOM 1095 O GLN A 68 -9.559 1.165 1.937 1.00 0.00 O ATOM 1096 CB GLN A 68 -7.104 -0.551 1.042 1.00 0.00 C ATOM 1097 CG GLN A 68 -8.006 -0.324 -0.177 1.00 0.00 C ATOM 1098 CD GLN A 68 -8.093 -1.587 -1.023 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -7.128 -2.026 -1.622 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -9.241 -2.223 -1.054 1.00 0.00 N ATOM 0 H GLN A 68 -6.563 -0.695 3.678 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.035 1.500 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.063 -0.554 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.311 -1.536 1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.003 -0.031 0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.614 0.496 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.045 -1.849 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.329 -3.091 -1.582 1.00 0.00 H new ATOM 1109 N GLU A 69 -9.150 -0.362 3.519 1.00 0.00 N ATOM 1110 CA GLU A 69 -10.551 -0.426 3.999 1.00 0.00 C ATOM 1111 C GLU A 69 -11.171 0.954 4.276 1.00 0.00 C ATOM 1112 O GLU A 69 -12.294 1.239 3.864 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.651 -1.273 5.263 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.422 -2.562 4.974 1.00 0.00 C ATOM 1115 CD GLU A 69 -12.111 -3.103 6.231 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -12.676 -2.277 6.986 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.067 -4.337 6.411 1.00 0.00 O ATOM 0 H GLU A 69 -8.523 -1.024 3.976 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.116 -0.883 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.653 -1.512 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.153 -0.709 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.168 -2.375 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.739 -3.315 4.581 1.00 0.00 H new ATOM 1124 N TRP A 70 -10.309 1.852 4.737 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.609 3.284 4.880 1.00 0.00 C ATOM 1126 C TRP A 70 -10.322 4.066 3.583 1.00 0.00 C ATOM 1127 O TRP A 70 -9.743 5.139 3.617 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.844 3.824 6.103 1.00 0.00 C ATOM 1129 CG TRP A 70 -8.356 3.453 6.174 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -7.439 3.517 5.205 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -7.701 3.023 7.318 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -6.254 3.146 5.690 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -6.380 2.832 6.978 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -8.154 2.712 8.597 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -5.490 2.306 7.910 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -7.266 2.166 9.523 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -5.944 1.971 9.186 1.00 0.00 C ATOM 0 H TRP A 70 -9.363 1.608 5.029 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.676 3.424 5.054 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.929 4.911 6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.334 3.459 7.005 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.628 3.822 4.186 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.385 3.108 5.157 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.183 2.892 8.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.453 2.158 7.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.616 1.895 10.508 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -5.258 1.558 9.911 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.759 3.547 2.438 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.566 4.174 1.109 1.00 0.00 C ATOM 1150 C CYS A 71 -11.544 5.326 0.888 1.00 0.00 C ATOM 1151 O CYS A 71 -11.140 6.479 0.948 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.667 3.149 -0.029 1.00 0.00 C ATOM 1153 SG CYS A 71 -12.125 2.048 0.100 1.00 0.00 S ATOM 0 H CYS A 71 -11.267 2.664 2.394 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.555 4.581 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.706 3.679 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.763 2.540 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.132 1.218 -0.900 1.00 0.00 H new ATOM 1159 N ARG A 72 -12.832 5.002 0.966 1.00 0.00 N ATOM 1160 CA ARG A 72 -13.929 5.992 0.968 1.00 0.00 C ATOM 1161 C ARG A 72 -13.829 6.998 2.135 1.00 0.00 C ATOM 1162 O ARG A 72 -14.261 8.142 2.026 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.278 5.265 0.982 1.00 0.00 C ATOM 1164 CG ARG A 72 -15.511 4.482 2.276 1.00 0.00 C ATOM 1165 CD ARG A 72 -16.927 3.930 2.295 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.303 3.660 3.691 1.00 0.00 N ATOM 1167 CZ ARG A 72 -18.454 3.118 4.086 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -19.365 2.714 3.211 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -18.702 2.955 5.375 1.00 0.00 N ATOM 0 H ARG A 72 -13.157 4.037 1.031 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.842 6.581 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.080 5.992 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.327 4.582 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.792 3.667 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.352 5.130 3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.618 4.644 1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.986 3.016 1.703 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.628 3.908 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.192 2.815 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.239 2.302 3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.012 3.244 6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.584 2.540 5.676 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.148 6.580 3.199 1.00 0.00 N ATOM 1184 CA LYS A 73 -12.896 7.414 4.387 1.00 0.00 C ATOM 1185 C LYS A 73 -11.646 8.281 4.208 1.00 0.00 C ATOM 1186 O LYS A 73 -11.761 9.496 4.207 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.817 6.536 5.633 1.00 0.00 C ATOM 1188 CG LYS A 73 -14.134 6.582 6.411 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.288 5.276 7.193 1.00 0.00 C ATOM 1190 CE LYS A 73 -14.679 5.481 8.659 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.130 5.579 8.880 1.00 0.00 N ATOM 0 H LYS A 73 -12.748 5.644 3.268 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.731 8.103 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.594 5.508 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.000 6.874 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.141 7.433 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.972 6.714 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.044 4.659 6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.349 4.724 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.287 4.653 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.203 6.389 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.318 5.717 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.509 6.386 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.590 4.704 8.558 1.00 0.00 H new ATOM 1205 N TYR A 74 -10.552 7.709 3.731 1.00 0.00 N ATOM 1206 CA TYR A 74 -9.366 8.495 3.351 1.00 0.00 C ATOM 1207 C TYR A 74 -9.609 9.423 2.141 1.00 0.00 C ATOM 1208 O TYR A 74 -8.970 10.464 2.031 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.216 7.514 3.123 1.00 0.00 C ATOM 1210 CG TYR A 74 -6.898 8.111 2.644 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -6.507 9.381 3.031 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -6.141 7.371 1.755 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -5.352 9.934 2.498 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -4.969 7.912 1.239 1.00 0.00 C ATOM 1215 CZ TYR A 74 -4.596 9.195 1.604 1.00 0.00 C ATOM 1216 OH TYR A 74 -3.468 9.744 1.091 1.00 0.00 O ATOM 0 H TYR A 74 -10.451 6.703 3.594 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.114 9.182 4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.031 6.983 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.540 6.772 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.097 9.938 3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.458 6.380 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.045 10.931 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.356 7.338 0.560 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.637 10.039 0.172 1.00 0.00 H new ATOM 1226 N MET A 75 -10.562 9.073 1.281 1.00 0.00 N ATOM 1227 CA MET A 75 -10.879 9.846 0.063 1.00 0.00 C ATOM 1228 C MET A 75 -11.889 10.979 0.301 1.00 0.00 C ATOM 1229 O MET A 75 -11.840 12.002 -0.379 1.00 0.00 O ATOM 1230 CB MET A 75 -11.293 8.899 -1.083 1.00 0.00 C ATOM 1231 CG MET A 75 -12.781 8.553 -1.243 1.00 0.00 C ATOM 1232 SD MET A 75 -13.739 9.912 -2.012 1.00 0.00 S ATOM 1233 CE MET A 75 -15.346 9.163 -2.156 1.00 0.00 C ATOM 0 H MET A 75 -11.143 8.244 1.401 1.00 0.00 H new ATOM 0 HA MET A 75 -9.966 10.359 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 75 -10.953 9.342 -2.019 1.00 0.00 H new ATOM 0 HB3 MET A 75 -10.747 7.964 -0.955 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.878 7.654 -1.852 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.204 8.323 -0.265 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.039 9.872 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.278 8.273 -2.781 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.707 8.884 -1.166 1.00 0.00 H new ATOM 1243 N LYS A 76 -12.829 10.735 1.211 1.00 0.00 N ATOM 1244 CA LYS A 76 -13.920 11.687 1.482 1.00 0.00 C ATOM 1245 C LYS A 76 -13.711 12.413 2.817 1.00 0.00 C ATOM 1246 O LYS A 76 -13.780 13.634 2.879 1.00 0.00 O ATOM 1247 CB LYS A 76 -15.261 10.955 1.486 1.00 0.00 C ATOM 1248 CG LYS A 76 -16.404 11.930 1.222 1.00 0.00 C ATOM 1249 CD LYS A 76 -17.751 11.245 1.423 1.00 0.00 C ATOM 1250 CE LYS A 76 -18.877 12.185 0.999 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.165 11.488 1.073 1.00 0.00 N ATOM 0 H LYS A 76 -12.863 9.887 1.777 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.919 12.436 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.258 10.175 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.410 10.463 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.321 12.786 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.334 12.314 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.793 10.326 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.874 10.964 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.892 13.063 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.703 12.539 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.927 12.134 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.150 10.663 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.333 11.171 2.049 1.00 0.00 H new ATOM 1265 N SER A 77 -13.354 11.643 3.843 1.00 0.00 N ATOM 1266 CA SER A 77 -13.010 12.196 5.166 1.00 0.00 C ATOM 1267 C SER A 77 -11.595 12.798 5.110 1.00 0.00 C ATOM 1268 O SER A 77 -11.362 13.824 5.745 1.00 0.00 O ATOM 1269 CB SER A 77 -13.128 11.102 6.237 1.00 0.00 C ATOM 1270 OG SER A 77 -13.302 11.639 7.548 1.00 0.00 O ATOM 0 H SER A 77 -13.293 10.626 3.790 1.00 0.00 H new ATOM 0 HA SER A 77 -13.706 12.991 5.435 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.971 10.453 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.233 10.481 6.218 1.00 0.00 H new ATOM 0 HG SER A 77 -13.374 10.906 8.195 1.00 0.00 H new ATOM 1276 N GLY A 78 -10.674 12.159 4.353 1.00 0.00 N ATOM 1277 CA GLY A 78 -9.294 12.659 4.125 1.00 0.00 C ATOM 1278 C GLY A 78 -8.594 13.085 5.422 1.00 0.00 C ATOM 1279 O GLY A 78 -7.712 13.942 5.452 1.00 0.00 O ATOM 0 H GLY A 78 -10.866 11.276 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.706 11.880 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.328 13.507 3.441 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.000 12.408 6.485 1.00 0.00 N ATOM 1284 CA ASN A 79 -8.640 12.744 7.861 1.00 0.00 C ATOM 1285 C ASN A 79 -7.319 12.049 8.155 1.00 0.00 C ATOM 1286 O ASN A 79 -7.189 10.830 8.030 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.775 12.327 8.815 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.217 10.856 8.748 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -10.069 10.145 7.763 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -10.767 10.360 9.831 1.00 0.00 N ATOM 0 H ASN A 79 -9.604 11.589 6.417 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.511 13.817 8.005 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.460 12.543 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.642 12.954 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.069 9.386 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.893 10.948 10.655 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.358 12.865 8.576 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.025 12.368 8.984 1.00 0.00 C ATOM 1299 C VAL A 80 -5.156 11.277 10.065 1.00 0.00 C ATOM 1300 O VAL A 80 -4.335 10.375 10.091 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.066 13.508 9.384 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.682 13.001 9.816 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -3.854 14.466 8.207 1.00 0.00 C ATOM 0 H VAL A 80 -6.466 13.877 8.648 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.563 11.902 8.114 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.539 14.010 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.052 13.849 10.085 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.789 12.340 10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.222 12.454 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.175 15.265 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.425 13.920 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.811 14.895 7.910 1.00 0.00 H new ATOM 1313 N LYS A 81 -6.294 11.231 10.749 1.00 0.00 N ATOM 1314 CA LYS A 81 -6.688 10.157 11.690 1.00 0.00 C ATOM 1315 C LYS A 81 -6.716 8.738 11.084 1.00 0.00 C ATOM 1316 O LYS A 81 -6.435 7.765 11.777 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.017 10.549 12.352 1.00 0.00 C ATOM 1318 CG LYS A 81 -7.860 11.497 13.558 1.00 0.00 C ATOM 1319 CD LYS A 81 -6.858 12.636 13.330 1.00 0.00 C ATOM 1320 CE LYS A 81 -6.888 13.757 14.360 1.00 0.00 C ATOM 1321 NZ LYS A 81 -5.770 14.670 14.082 1.00 0.00 N ATOM 0 H LYS A 81 -7.002 11.961 10.669 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.906 10.080 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.655 11.026 11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.530 9.644 12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.833 11.925 13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.544 10.917 14.425 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.854 12.213 13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.043 13.067 12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.836 14.292 14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.804 13.349 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.773 15.444 14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.872 14.149 14.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.873 15.063 13.125 1.00 0.00 H new ATOM 1335 N ASP A 82 -6.810 8.687 9.757 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.693 7.455 8.954 1.00 0.00 C ATOM 1337 C ASP A 82 -5.262 7.262 8.428 1.00 0.00 C ATOM 1338 O ASP A 82 -4.738 6.156 8.481 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.679 7.493 7.779 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.157 7.340 8.173 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.485 7.473 9.377 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.959 7.149 7.234 1.00 0.00 O ATOM 0 H ASP A 82 -6.974 9.518 9.189 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.933 6.612 9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.555 8.437 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.420 6.698 7.079 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.579 8.371 8.153 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.184 8.383 7.676 1.00 0.00 C ATOM 1349 C LEU A 83 -2.184 8.052 8.778 1.00 0.00 C ATOM 1350 O LEU A 83 -1.501 7.054 8.651 1.00 0.00 O ATOM 1351 CB LEU A 83 -2.788 9.699 6.993 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.405 9.904 5.605 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -3.170 8.691 4.693 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -4.872 10.320 5.733 1.00 0.00 C ATOM 0 H LEU A 83 -4.978 9.304 8.254 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.144 7.594 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.083 10.530 7.634 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.702 9.735 6.903 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.895 10.728 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.622 8.875 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.099 8.530 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.622 7.806 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.298 10.462 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.426 9.542 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.938 11.253 6.293 1.00 0.00 H new ATOM 1366 N THR A 84 -2.314 8.700 9.933 1.00 0.00 N ATOM 1367 CA THR A 84 -1.539 8.410 11.165 1.00 0.00 C ATOM 1368 C THR A 84 -1.535 6.909 11.532 1.00 0.00 C ATOM 1369 O THR A 84 -0.527 6.365 11.977 1.00 0.00 O ATOM 1370 CB THR A 84 -2.027 9.283 12.342 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.203 9.052 13.484 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.490 9.067 12.745 1.00 0.00 C ATOM 0 H THR A 84 -2.977 9.466 10.055 1.00 0.00 H new ATOM 0 HA THR A 84 -0.502 8.672 10.955 1.00 0.00 H new ATOM 0 HB THR A 84 -1.955 10.311 11.986 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.513 9.608 14.229 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.739 9.724 13.579 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.138 9.294 11.898 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.635 8.029 13.045 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.624 6.234 11.167 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.782 4.775 11.301 1.00 0.00 C ATOM 1382 C GLN A 85 -2.306 3.965 10.086 1.00 0.00 C ATOM 1383 O GLN A 85 -1.437 3.103 10.216 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.237 4.449 11.635 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.404 4.328 13.152 1.00 0.00 C ATOM 1386 CD GLN A 85 -3.614 3.136 13.705 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.604 2.034 13.173 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -2.893 3.356 14.782 1.00 0.00 N ATOM 0 H GLN A 85 -3.441 6.690 10.761 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.125 4.469 12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.892 5.229 11.248 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.531 3.517 11.152 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.065 5.246 13.632 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.460 4.212 13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.903 4.275 15.223 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.323 2.607 15.176 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.727 4.390 8.896 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.291 3.813 7.612 1.00 0.00 C ATOM 1399 C ALA A 86 -0.771 3.897 7.433 1.00 0.00 C ATOM 1400 O ALA A 86 -0.185 2.909 7.028 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.002 4.492 6.438 1.00 0.00 C ATOM 0 H ALA A 86 -3.391 5.157 8.788 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.565 2.758 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.663 4.049 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.079 4.354 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.771 5.557 6.439 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.146 4.910 8.024 1.00 0.00 N ATOM 1408 CA TRP A 87 1.313 5.125 8.059 1.00 0.00 C ATOM 1409 C TRP A 87 2.023 4.020 8.835 1.00 0.00 C ATOM 1410 O TRP A 87 2.890 3.351 8.277 1.00 0.00 O ATOM 1411 CB TRP A 87 1.660 6.480 8.686 1.00 0.00 C ATOM 1412 CG TRP A 87 1.401 7.641 7.727 1.00 0.00 C ATOM 1413 CD1 TRP A 87 0.720 8.750 8.005 1.00 0.00 C ATOM 1414 CD2 TRP A 87 1.685 7.656 6.371 1.00 0.00 C ATOM 1415 NE1 TRP A 87 0.528 9.452 6.888 1.00 0.00 N ATOM 1416 CE2 TRP A 87 1.081 8.788 5.880 1.00 0.00 C ATOM 1417 CE3 TRP A 87 2.522 6.889 5.565 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 1.291 9.145 4.564 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 2.741 7.261 4.243 1.00 0.00 C ATOM 1420 CH2 TRP A 87 2.145 8.399 3.749 1.00 0.00 C ATOM 0 H TRP A 87 -0.658 5.642 8.517 1.00 0.00 H new ATOM 0 HA TRP A 87 1.657 5.109 7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 87 1.071 6.621 9.592 1.00 0.00 H new ATOM 0 HB3 TRP A 87 2.709 6.483 8.984 1.00 0.00 H new ATOM 0 HD1 TRP A 87 0.375 9.038 8.987 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.040 10.345 6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 87 3.000 6.007 5.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 0.789 10.011 4.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.375 6.660 3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 87 2.337 8.714 2.734 1.00 0.00 H new ATOM 1431 N ASP A 88 1.410 3.654 9.958 1.00 0.00 N ATOM 1432 CA ASP A 88 1.877 2.536 10.786 1.00 0.00 C ATOM 1433 C ASP A 88 1.663 1.217 10.036 1.00 0.00 C ATOM 1434 O ASP A 88 2.633 0.498 9.864 1.00 0.00 O ATOM 1435 CB ASP A 88 1.155 2.518 12.134 1.00 0.00 C ATOM 1436 CG ASP A 88 2.131 2.316 13.298 1.00 0.00 C ATOM 1437 OD1 ASP A 88 3.058 1.487 13.154 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.936 3.025 14.308 1.00 0.00 O ATOM 0 H ASP A 88 0.579 4.119 10.322 1.00 0.00 H new ATOM 0 HA ASP A 88 2.942 2.663 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.615 3.455 12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.413 1.720 12.139 1.00 0.00 H new ATOM 1443 N LEU A 89 0.531 1.064 9.353 1.00 0.00 N ATOM 1444 CA LEU A 89 0.259 -0.146 8.549 1.00 0.00 C ATOM 1445 C LEU A 89 1.141 -0.263 7.298 1.00 0.00 C ATOM 1446 O LEU A 89 1.746 -1.307 7.090 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.226 -0.268 8.190 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.125 -0.466 9.418 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.576 -0.546 8.955 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.774 -1.729 10.214 1.00 0.00 C ATOM 0 H LEU A 89 -0.218 1.756 9.334 1.00 0.00 H new ATOM 0 HA LEU A 89 0.526 -0.987 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.540 0.629 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.362 -1.107 7.508 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.970 0.384 10.083 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.226 -0.687 9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.846 0.378 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.694 -1.387 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.442 -1.817 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.886 -2.605 9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.743 -1.664 10.563 1.00 0.00 H new ATOM 1462 N TYR A 90 1.377 0.867 6.639 1.00 0.00 N ATOM 1463 CA TYR A 90 2.248 1.030 5.461 1.00 0.00 C ATOM 1464 C TYR A 90 3.713 0.740 5.790 1.00 0.00 C ATOM 1465 O TYR A 90 4.356 -0.026 5.083 1.00 0.00 O ATOM 1466 CB TYR A 90 2.134 2.454 4.899 1.00 0.00 C ATOM 1467 CG TYR A 90 0.804 2.739 4.187 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.259 1.811 3.312 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.197 3.978 4.345 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.898 2.118 2.601 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.974 4.276 3.654 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.526 3.333 2.808 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.745 3.572 2.258 1.00 0.00 O ATOM 0 H TYR A 90 0.946 1.747 6.921 1.00 0.00 H new ATOM 0 HA TYR A 90 1.911 0.309 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.258 3.167 5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.953 2.624 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.733 0.849 3.182 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.634 4.712 5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.303 1.411 1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.448 5.238 3.778 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.415 2.999 2.686 1.00 0.00 H new ATOM 1483 N TYR A 91 4.166 1.290 6.912 1.00 0.00 N ATOM 1484 CA TYR A 91 5.524 1.096 7.446 1.00 0.00 C ATOM 1485 C TYR A 91 5.743 -0.291 8.079 1.00 0.00 C ATOM 1486 O TYR A 91 6.734 -0.954 7.795 1.00 0.00 O ATOM 1487 CB TYR A 91 5.779 2.206 8.464 1.00 0.00 C ATOM 1488 CG TYR A 91 7.262 2.314 8.807 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.086 3.065 7.984 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.752 1.720 9.957 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.425 3.230 8.320 1.00 0.00 C ATOM 1492 CE2 TYR A 91 9.093 1.884 10.296 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.919 2.629 9.467 1.00 0.00 C ATOM 1494 OH TYR A 91 11.243 2.740 9.754 1.00 0.00 O ATOM 0 H TYR A 91 3.591 1.899 7.494 1.00 0.00 H new ATOM 0 HA TYR A 91 6.233 1.145 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.426 3.157 8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.207 2.009 9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.691 3.519 7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.099 1.134 10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.075 3.822 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.486 1.435 11.196 1.00 0.00 H new ATOM 0 HH TYR A 91 11.437 2.267 10.590 1.00 0.00 H new ATOM 1504 N HIS A 92 4.786 -0.728 8.898 1.00 0.00 N ATOM 1505 CA HIS A 92 4.782 -2.066 9.529 1.00 0.00 C ATOM 1506 C HIS A 92 4.764 -3.171 8.468 1.00 0.00 C ATOM 1507 O HIS A 92 5.411 -4.202 8.634 1.00 0.00 O ATOM 1508 CB HIS A 92 3.553 -2.204 10.441 1.00 0.00 C ATOM 1509 CG HIS A 92 3.373 -3.564 11.122 1.00 0.00 C ATOM 1510 ND1 HIS A 92 2.207 -4.191 11.256 1.00 0.00 N ATOM 1511 CD2 HIS A 92 4.303 -4.290 11.735 1.00 0.00 C ATOM 1512 CE1 HIS A 92 2.419 -5.305 11.949 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.714 -5.372 12.240 1.00 0.00 N ATOM 0 H HIS A 92 3.977 -0.161 9.151 1.00 0.00 H new ATOM 0 HA HIS A 92 5.692 -2.171 10.120 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.611 -1.437 11.214 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.661 -1.995 9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.352 -4.045 11.810 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.669 -6.030 12.227 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.175 -6.120 12.758 1.00 0.00 H new ATOM 1521 N VAL A 93 3.993 -2.934 7.405 1.00 0.00 N ATOM 1522 CA VAL A 93 3.957 -3.855 6.267 1.00 0.00 C ATOM 1523 C VAL A 93 5.257 -3.697 5.471 1.00 0.00 C ATOM 1524 O VAL A 93 6.064 -4.609 5.580 1.00 0.00 O ATOM 1525 CB VAL A 93 2.652 -3.823 5.445 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.461 -2.643 4.484 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.500 -5.154 4.712 1.00 0.00 C ATOM 0 H VAL A 93 3.389 -2.118 7.308 1.00 0.00 H new ATOM 0 HA VAL A 93 3.920 -4.878 6.641 1.00 0.00 H new ATOM 0 HB VAL A 93 1.859 -3.666 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.505 -2.743 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.474 -1.710 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.268 -2.636 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.580 -5.144 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.351 -5.303 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.460 -5.966 5.438 1.00 0.00 H new ATOM 1537 N PHE A 94 5.545 -2.482 5.002 1.00 0.00 N ATOM 1538 CA PHE A 94 6.713 -2.098 4.175 1.00 0.00 C ATOM 1539 C PHE A 94 7.566 -3.292 3.750 1.00 0.00 C ATOM 1540 O PHE A 94 7.114 -3.976 2.847 1.00 0.00 O ATOM 1541 CB PHE A 94 7.507 -0.974 4.853 1.00 0.00 C ATOM 1542 CG PHE A 94 8.875 -0.713 4.214 1.00 0.00 C ATOM 1543 CD1 PHE A 94 9.025 -0.632 2.834 1.00 0.00 C ATOM 1544 CD2 PHE A 94 9.989 -0.736 5.041 1.00 0.00 C ATOM 1545 CE1 PHE A 94 10.298 -0.542 2.282 1.00 0.00 C ATOM 1546 CE2 PHE A 94 11.261 -0.645 4.488 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.412 -0.540 3.111 1.00 0.00 C ATOM 0 H PHE A 94 4.939 -1.685 5.195 1.00 0.00 H new ATOM 0 HA PHE A 94 6.338 -1.696 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.920 -0.056 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.649 -1.225 5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.156 -0.639 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.868 -0.824 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.420 -0.474 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.131 -0.656 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.400 -0.456 2.683 1.00 0.00 H new ATOM 1557 N ARG A 95 8.556 -3.680 4.549 1.00 0.00 N ATOM 1558 CA ARG A 95 9.390 -4.888 4.386 1.00 0.00 C ATOM 1559 C ARG A 95 8.705 -6.145 3.785 1.00 0.00 C ATOM 1560 O ARG A 95 9.171 -6.731 2.819 1.00 0.00 O ATOM 1561 CB ARG A 95 9.983 -5.205 5.751 1.00 0.00 C ATOM 1562 CG ARG A 95 11.489 -5.364 5.593 1.00 0.00 C ATOM 1563 CD ARG A 95 12.093 -5.943 6.865 1.00 0.00 C ATOM 1564 NE ARG A 95 12.958 -7.059 6.453 1.00 0.00 N ATOM 1565 CZ ARG A 95 13.822 -7.710 7.230 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.979 -7.400 8.509 1.00 0.00 N ATOM 1567 NH2 ARG A 95 14.557 -8.688 6.722 1.00 0.00 N ATOM 0 H ARG A 95 8.819 -3.139 5.373 1.00 0.00 H new ATOM 0 HA ARG A 95 10.139 -4.645 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.758 -4.406 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.545 -6.119 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.706 -6.018 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.943 -4.398 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.667 -5.186 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.312 -6.289 7.542 1.00 0.00 H new ATOM 0 HE ARG A 95 12.890 -7.363 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.431 -6.646 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.648 -7.916 9.080 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.460 -8.941 5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.220 -9.188 7.314 1.00 0.00 H new ATOM 1581 N ARG A 96 7.488 -6.415 4.262 1.00 0.00 N ATOM 1582 CA ARG A 96 6.570 -7.434 3.708 1.00 0.00 C ATOM 1583 C ARG A 96 6.178 -7.180 2.251 1.00 0.00 C ATOM 1584 O ARG A 96 6.506 -7.981 1.379 1.00 0.00 O ATOM 1585 CB ARG A 96 5.289 -7.535 4.542 1.00 0.00 C ATOM 1586 CG ARG A 96 5.541 -7.915 5.996 1.00 0.00 C ATOM 1587 CD ARG A 96 6.345 -9.214 6.113 1.00 0.00 C ATOM 1588 NE ARG A 96 7.782 -8.912 6.237 1.00 0.00 N ATOM 1589 CZ ARG A 96 8.399 -8.432 7.316 1.00 0.00 C ATOM 1590 NH1 ARG A 96 7.750 -8.187 8.438 1.00 0.00 N ATOM 1591 NH2 ARG A 96 9.709 -8.259 7.313 1.00 0.00 N ATOM 0 H ARG A 96 7.096 -5.923 5.065 1.00 0.00 H new ATOM 0 HA ARG A 96 7.129 -8.369 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.767 -6.579 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.628 -8.275 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.079 -7.109 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.588 -8.030 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.009 -9.782 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.171 -9.838 5.237 1.00 0.00 H new ATOM 0 HE ARG A 96 8.361 -9.088 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.747 -8.365 8.497 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.251 -7.820 9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.252 -8.493 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.177 -7.891 8.141 1.00 0.00 H new ATOM 1605 N ILE A 97 5.500 -6.057 2.008 1.00 0.00 N ATOM 1606 CA ILE A 97 5.148 -5.617 0.638 1.00 0.00 C ATOM 1607 C ILE A 97 6.383 -5.189 -0.187 1.00 0.00 C ATOM 1608 O ILE A 97 6.254 -4.813 -1.344 1.00 0.00 O ATOM 1609 CB ILE A 97 4.054 -4.525 0.616 1.00 0.00 C ATOM 1610 CG1 ILE A 97 4.400 -3.224 1.352 1.00 0.00 C ATOM 1611 CG2 ILE A 97 2.717 -5.068 1.113 1.00 0.00 C ATOM 1612 CD1 ILE A 97 5.259 -2.273 0.514 1.00 0.00 C ATOM 0 H ILE A 97 5.178 -5.425 2.741 1.00 0.00 H new ATOM 0 HA ILE A 97 4.726 -6.498 0.154 1.00 0.00 H new ATOM 0 HB ILE A 97 3.981 -4.250 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.478 -2.717 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.928 -3.464 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.969 -4.275 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.398 -5.891 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.828 -5.426 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.470 -1.371 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.196 -2.764 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.723 -2.005 -0.397 1.00 0.00 H new ATOM 1624 N SER A 98 7.516 -5.072 0.505 1.00 0.00 N ATOM 1625 CA SER A 98 8.817 -4.669 -0.043 1.00 0.00 C ATOM 1626 C SER A 98 9.413 -5.826 -0.847 1.00 0.00 C ATOM 1627 O SER A 98 9.217 -5.883 -2.057 1.00 0.00 O ATOM 1628 CB SER A 98 9.733 -4.068 1.052 1.00 0.00 C ATOM 1629 OG SER A 98 10.865 -4.847 1.466 1.00 0.00 O ATOM 0 H SER A 98 7.557 -5.263 1.506 1.00 0.00 H new ATOM 0 HA SER A 98 8.696 -3.849 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.099 -3.106 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.121 -3.869 1.932 1.00 0.00 H new ATOM 0 HG SER A 98 10.570 -5.551 2.081 1.00 0.00 H new ATOM 1635 N LYS A 99 9.931 -6.814 -0.123 1.00 0.00 N ATOM 1636 CA LYS A 99 10.616 -7.996 -0.678 1.00 0.00 C ATOM 1637 C LYS A 99 10.827 -9.068 0.409 1.00 0.00 C ATOM 1638 O LYS A 99 11.936 -9.551 0.636 1.00 0.00 O ATOM 1639 CB LYS A 99 11.936 -7.576 -1.356 1.00 0.00 C ATOM 1640 CG LYS A 99 12.956 -6.959 -0.387 1.00 0.00 C ATOM 1641 CD LYS A 99 14.274 -6.630 -1.084 1.00 0.00 C ATOM 1642 CE LYS A 99 15.462 -6.964 -0.180 1.00 0.00 C ATOM 1643 NZ LYS A 99 15.952 -8.326 -0.441 1.00 0.00 N ATOM 0 H LYS A 99 9.889 -6.822 0.896 1.00 0.00 H new ATOM 0 HA LYS A 99 9.986 -8.447 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.383 -8.448 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.717 -6.857 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.539 -6.051 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.142 -7.651 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.349 -7.193 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.297 -5.573 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.265 -6.246 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.166 -6.874 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.758 -8.531 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.190 -9.010 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.255 -8.402 -1.433 1.00 0.00 H new ATOM 1657 N GLN A 100 9.750 -9.409 1.112 1.00 0.00 N ATOM 1658 CA GLN A 100 9.794 -10.453 2.162 1.00 0.00 C ATOM 1659 C GLN A 100 10.552 -11.747 1.774 1.00 0.00 C ATOM 1660 O GLN A 100 9.909 -12.659 1.204 1.00 0.00 O ATOM 1661 CB GLN A 100 8.367 -10.717 2.674 1.00 0.00 C ATOM 1662 CG GLN A 100 8.288 -11.730 3.829 1.00 0.00 C ATOM 1663 CD GLN A 100 9.252 -11.440 4.990 1.00 0.00 C ATOM 1664 OE1 GLN A 100 9.884 -10.398 5.099 1.00 0.00 O ATOM 1665 NE2 GLN A 100 9.527 -12.441 5.791 1.00 0.00 N ATOM 1666 OXT GLN A 100 11.762 -11.815 2.085 1.00 99.99 O ATOM 0 H GLN A 100 8.832 -8.985 0.982 1.00 0.00 H new ATOM 0 HA GLN A 100 10.402 -10.060 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 100 7.931 -9.774 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.757 -11.079 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.268 -11.746 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.497 -12.726 3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.008 -13.315 5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.260 -12.345 6.494 1.00 0.00 H new TER 1675 GLN A 100