USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 748 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 9 HIS :FLIP no HE2:sc= -3.07! C(o=-7!,f=-1.8!) USER MOD Set 1.2: A 65 TYR OH : rot -102:sc= 1.27 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -152:sc= 0.597 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= -0.589 K(o=0.008,f=-5.7!) USER MOD Single : A 6 TYR OH : rot 107:sc= 0.452 USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.511 USER MOD Single : A 14 GLN : amide:sc= -1.33 K(o=-1.3,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.0729 (180deg=-0.23) USER MOD Single : A 21 ASN : amide:sc= 0.453 X(o=0.45,f=-0.033) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 173:sc= -1.21 (180deg=-1.42) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.124) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -11.5! C(o=-11!,f=-14!) USER MOD Single : A 70 MET CE :methyl -152:sc= -0.15 (180deg=-1.1) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 54:sc= -0.651 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.58) USER MOD Single : A 116 SER OG : rot -79:sc= 0.613 USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.930 7.604 -9.683 1.00 0.00 N ATOM 15 CA ILE A 3 -0.267 7.662 -8.386 1.00 0.00 C ATOM 16 C ILE A 3 0.741 6.522 -8.239 1.00 0.00 C ATOM 17 O ILE A 3 1.112 5.887 -9.227 1.00 0.00 O ATOM 18 CB ILE A 3 -1.289 7.617 -7.230 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.994 6.259 -7.177 1.00 0.00 C ATOM 20 CG2 ILE A 3 -2.305 8.739 -7.386 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.934 6.011 -8.338 1.00 0.00 C ATOM 0 HA ILE A 3 0.266 8.611 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.753 7.756 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.242 5.470 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.556 6.188 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.021 8.698 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.791 9.700 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.832 8.624 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.395 5.029 -8.230 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.709 6.777 -8.348 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.375 6.048 -9.273 1.00 0.00 H new ATOM 33 N GLU A 4 1.194 6.271 -7.013 1.00 0.00 N ATOM 34 CA GLU A 4 2.172 5.213 -6.772 1.00 0.00 C ATOM 35 C GLU A 4 1.723 4.256 -5.670 1.00 0.00 C ATOM 36 O GLU A 4 1.185 4.672 -4.639 1.00 0.00 O ATOM 37 CB GLU A 4 3.526 5.821 -6.406 1.00 0.00 C ATOM 38 CG GLU A 4 4.287 6.375 -7.601 1.00 0.00 C ATOM 39 CD GLU A 4 5.788 6.210 -7.466 1.00 0.00 C ATOM 40 OE1 GLU A 4 6.223 5.366 -6.654 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.529 6.923 -8.175 1.00 0.00 O ATOM 0 H GLU A 4 0.903 6.780 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 4 2.262 4.639 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.372 6.621 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.136 5.061 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.950 5.871 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.051 7.433 -7.718 1.00 0.00 H new ATOM 48 N TRP A 5 1.973 2.968 -5.897 1.00 0.00 N ATOM 49 CA TRP A 5 1.625 1.928 -4.935 1.00 0.00 C ATOM 50 C TRP A 5 2.826 1.610 -4.052 1.00 0.00 C ATOM 51 O TRP A 5 3.696 0.830 -4.437 1.00 0.00 O ATOM 52 CB TRP A 5 1.173 0.662 -5.666 1.00 0.00 C ATOM 53 CG TRP A 5 -0.311 0.566 -5.847 1.00 0.00 C ATOM 54 CD1 TRP A 5 -1.013 0.806 -6.993 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.276 0.195 -4.856 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.353 0.603 -6.776 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.540 0.230 -5.472 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.192 -0.165 -3.509 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.709 -0.082 -4.786 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.353 -0.475 -2.830 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.597 -0.430 -3.469 1.00 0.00 C ATOM 0 H TRP A 5 2.419 2.619 -6.746 1.00 0.00 H new ATOM 0 HA TRP A 5 0.807 2.289 -4.311 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.652 0.628 -6.645 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.519 -0.210 -5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.578 1.111 -7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.090 0.712 -7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.236 -0.200 -3.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.671 -0.050 -5.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.300 -0.757 -1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.488 -0.675 -2.910 1.00 0.00 H new ATOM 72 N TYR A 6 2.877 2.225 -2.877 1.00 0.00 N ATOM 73 CA TYR A 6 3.986 2.010 -1.955 1.00 0.00 C ATOM 74 C TYR A 6 3.641 0.962 -0.906 1.00 0.00 C ATOM 75 O TYR A 6 2.782 1.182 -0.051 1.00 0.00 O ATOM 76 CB TYR A 6 4.371 3.323 -1.276 1.00 0.00 C ATOM 77 CG TYR A 6 5.218 4.225 -2.143 1.00 0.00 C ATOM 78 CD1 TYR A 6 6.590 4.031 -2.247 1.00 0.00 C ATOM 79 CD2 TYR A 6 4.648 5.270 -2.856 1.00 0.00 C ATOM 80 CE1 TYR A 6 7.369 4.854 -3.039 1.00 0.00 C ATOM 81 CE2 TYR A 6 5.418 6.097 -3.651 1.00 0.00 C ATOM 82 CZ TYR A 6 6.778 5.885 -3.738 1.00 0.00 C ATOM 83 OH TYR A 6 7.549 6.707 -4.529 1.00 0.00 O ATOM 0 H TYR A 6 2.166 2.875 -2.540 1.00 0.00 H new ATOM 0 HA TYR A 6 4.834 1.642 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.463 3.855 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.914 3.102 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.055 3.224 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.584 5.440 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.434 4.690 -3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.958 6.905 -4.201 1.00 0.00 H new ATOM 0 HH TYR A 6 7.382 6.504 -5.473 1.00 0.00 H new ATOM 93 N ALA A 7 4.324 -0.175 -0.971 1.00 0.00 N ATOM 94 CA ALA A 7 4.100 -1.254 -0.020 1.00 0.00 C ATOM 95 C ALA A 7 5.274 -1.376 0.945 1.00 0.00 C ATOM 96 O ALA A 7 6.434 -1.333 0.533 1.00 0.00 O ATOM 97 CB ALA A 7 3.874 -2.568 -0.753 1.00 0.00 C ATOM 0 H ALA A 7 5.037 -0.372 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 7 3.206 -1.021 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.708 -3.365 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.001 -2.478 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.751 -2.803 -1.357 1.00 0.00 H new ATOM 103 N VAL A 8 4.971 -1.522 2.230 1.00 0.00 N ATOM 104 CA VAL A 8 6.009 -1.642 3.249 1.00 0.00 C ATOM 105 C VAL A 8 5.703 -2.777 4.217 1.00 0.00 C ATOM 106 O VAL A 8 4.563 -3.226 4.333 1.00 0.00 O ATOM 107 CB VAL A 8 6.183 -0.316 4.028 1.00 0.00 C ATOM 108 CG1 VAL A 8 4.831 0.284 4.381 1.00 0.00 C ATOM 109 CG2 VAL A 8 7.028 -0.507 5.283 1.00 0.00 C ATOM 0 H VAL A 8 4.018 -1.560 2.591 1.00 0.00 H new ATOM 0 HA VAL A 8 6.943 -1.868 2.734 1.00 0.00 H new ATOM 0 HB VAL A 8 6.712 0.379 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.978 1.215 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.272 0.484 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.273 -0.417 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.128 0.446 5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.545 -1.230 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.016 -0.873 5.004 1.00 0.00 H new ATOM 119 N HIS A 9 6.740 -3.232 4.906 1.00 0.00 N ATOM 120 CA HIS A 9 6.609 -4.317 5.871 1.00 0.00 C ATOM 121 C HIS A 9 6.107 -3.796 7.213 1.00 0.00 C ATOM 122 O HIS A 9 6.418 -2.672 7.612 1.00 0.00 O ATOM 123 CB HIS A 9 7.951 -5.026 6.056 1.00 0.00 C ATOM 124 CG HIS A 9 8.554 -5.517 4.777 1.00 0.00 C ATOM 125 ND1 HIS A 9 8.629 -4.943 3.552 1.00 0.00 N flip ATOM 126 CD2 HIS A 9 9.179 -6.741 4.662 1.00 0.00 C flip ATOM 127 CE1 HIS A 9 9.290 -5.823 2.730 1.00 0.00 C flip ATOM 128 NE2 HIS A 9 9.613 -6.899 3.424 1.00 0.00 N flip ATOM 0 H HIS A 9 7.687 -2.865 4.814 1.00 0.00 H new ATOM 0 HA HIS A 9 5.880 -5.028 5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.650 -4.342 6.538 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.815 -5.871 6.731 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.263 -4.028 3.289 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.296 -7.459 5.460 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.510 -5.661 1.685 1.00 0.00 H new ATOM 137 N THR A 10 5.333 -4.619 7.912 1.00 0.00 N ATOM 138 CA THR A 10 4.790 -4.244 9.212 1.00 0.00 C ATOM 139 C THR A 10 5.184 -5.259 10.281 1.00 0.00 C ATOM 140 O THR A 10 5.961 -6.178 10.020 1.00 0.00 O ATOM 141 CB THR A 10 3.266 -4.130 9.139 1.00 0.00 C ATOM 142 OG1 THR A 10 2.673 -5.411 9.014 1.00 0.00 O ATOM 143 CG2 THR A 10 2.784 -3.285 7.981 1.00 0.00 C ATOM 0 H THR A 10 5.067 -5.553 7.599 1.00 0.00 H new ATOM 0 HA THR A 10 5.208 -3.275 9.485 1.00 0.00 H new ATOM 0 HB THR A 10 2.967 -3.646 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.834 -5.336 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.695 -3.246 7.988 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.184 -2.276 8.076 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.125 -3.724 7.043 1.00 0.00 H new ATOM 151 N LEU A 11 4.640 -5.089 11.481 1.00 0.00 N ATOM 152 CA LEU A 11 4.934 -5.991 12.588 1.00 0.00 C ATOM 153 C LEU A 11 3.981 -7.182 12.586 1.00 0.00 C ATOM 154 O LEU A 11 2.762 -7.015 12.548 1.00 0.00 O ATOM 155 CB LEU A 11 4.835 -5.249 13.921 1.00 0.00 C ATOM 156 CG LEU A 11 5.979 -4.274 14.208 1.00 0.00 C ATOM 157 CD1 LEU A 11 5.492 -3.118 15.066 1.00 0.00 C ATOM 158 CD2 LEU A 11 7.134 -4.993 14.888 1.00 0.00 C ATOM 0 H LEU A 11 3.993 -4.335 11.712 1.00 0.00 H new ATOM 0 HA LEU A 11 5.952 -6.360 12.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.895 -4.698 13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.794 -5.983 14.726 1.00 0.00 H new ATOM 0 HG LEU A 11 6.334 -3.872 13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.319 -2.435 15.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.697 -2.586 14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.110 -3.503 16.012 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.939 -4.284 15.085 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.791 -5.423 15.829 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.501 -5.788 14.238 1.00 0.00 H new ATOM 170 N VAL A 12 4.545 -8.386 12.627 1.00 0.00 N ATOM 171 CA VAL A 12 3.746 -9.604 12.630 1.00 0.00 C ATOM 172 C VAL A 12 2.811 -9.644 13.834 1.00 0.00 C ATOM 173 O VAL A 12 3.259 -9.708 14.979 1.00 0.00 O ATOM 174 CB VAL A 12 4.636 -10.860 12.645 1.00 0.00 C ATOM 175 CG1 VAL A 12 3.798 -12.112 12.446 1.00 0.00 C ATOM 176 CG2 VAL A 12 5.720 -10.760 11.581 1.00 0.00 C ATOM 0 H VAL A 12 5.552 -8.542 12.659 1.00 0.00 H new ATOM 0 HA VAL A 12 3.156 -9.597 11.714 1.00 0.00 H new ATOM 0 HB VAL A 12 5.120 -10.927 13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.445 -12.989 12.460 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.064 -12.190 13.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.283 -12.056 11.487 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.339 -11.657 11.607 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.258 -10.666 10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.341 -9.885 11.775 1.00 0.00 H new ATOM 186 N GLY A 13 1.508 -9.603 13.567 1.00 0.00 N ATOM 187 CA GLY A 13 0.531 -9.634 14.639 1.00 0.00 C ATOM 188 C GLY A 13 0.052 -8.248 15.026 1.00 0.00 C ATOM 189 O GLY A 13 -1.078 -8.081 15.485 1.00 0.00 O ATOM 0 H GLY A 13 1.113 -9.549 12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.323 -10.238 14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.968 -10.121 15.511 1.00 0.00 H new ATOM 193 N GLN A 14 0.913 -7.254 14.838 1.00 0.00 N ATOM 194 CA GLN A 14 0.574 -5.875 15.169 1.00 0.00 C ATOM 195 C GLN A 14 0.063 -5.119 13.942 1.00 0.00 C ATOM 196 O GLN A 14 -0.401 -3.984 14.053 1.00 0.00 O ATOM 197 CB GLN A 14 1.792 -5.158 15.756 1.00 0.00 C ATOM 198 CG GLN A 14 1.702 -4.937 17.257 1.00 0.00 C ATOM 199 CD GLN A 14 2.331 -3.628 17.693 1.00 0.00 C ATOM 200 OE1 GLN A 14 3.218 -3.100 17.024 1.00 0.00 O ATOM 201 NE2 GLN A 14 1.872 -3.099 18.820 1.00 0.00 N ATOM 0 H GLN A 14 1.851 -7.378 14.458 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.224 -5.895 15.911 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.687 -5.740 15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.909 -4.194 15.261 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.655 -4.951 17.560 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.195 -5.762 17.772 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.135 -3.572 19.342 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.256 -2.219 19.164 1.00 0.00 H new ATOM 210 N GLU A 15 0.155 -5.749 12.771 1.00 0.00 N ATOM 211 CA GLU A 15 -0.299 -5.128 11.532 1.00 0.00 C ATOM 212 C GLU A 15 -1.760 -4.698 11.635 1.00 0.00 C ATOM 213 O GLU A 15 -2.142 -3.635 11.148 1.00 0.00 O ATOM 214 CB GLU A 15 -0.123 -6.094 10.359 1.00 0.00 C ATOM 215 CG GLU A 15 -0.924 -7.376 10.502 1.00 0.00 C ATOM 216 CD GLU A 15 -0.375 -8.506 9.653 1.00 0.00 C ATOM 217 OE1 GLU A 15 -0.218 -8.307 8.430 1.00 0.00 O ATOM 218 OE2 GLU A 15 -0.099 -9.590 10.211 1.00 0.00 O ATOM 0 H GLU A 15 0.539 -6.687 12.657 1.00 0.00 H new ATOM 0 HA GLU A 15 0.309 -4.240 11.360 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.419 -5.592 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.933 -6.344 10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.929 -7.682 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.960 -7.186 10.221 1.00 0.00 H new ATOM 225 N GLU A 16 -2.573 -5.534 12.273 1.00 0.00 N ATOM 226 CA GLU A 16 -3.994 -5.246 12.440 1.00 0.00 C ATOM 227 C GLU A 16 -4.204 -3.916 13.155 1.00 0.00 C ATOM 228 O GLU A 16 -4.939 -3.051 12.676 1.00 0.00 O ATOM 229 CB GLU A 16 -4.672 -6.371 13.222 1.00 0.00 C ATOM 230 CG GLU A 16 -6.128 -6.585 12.841 1.00 0.00 C ATOM 231 CD GLU A 16 -6.323 -7.784 11.935 1.00 0.00 C ATOM 232 OE1 GLU A 16 -5.946 -8.904 12.343 1.00 0.00 O ATOM 233 OE2 GLU A 16 -6.853 -7.607 10.818 1.00 0.00 O ATOM 0 H GLU A 16 -2.272 -6.418 12.684 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.443 -5.176 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.122 -7.298 13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.613 -6.149 14.287 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.721 -6.718 13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.504 -5.692 12.342 1.00 0.00 H new ATOM 240 N LYS A 17 -3.558 -3.759 14.306 1.00 0.00 N ATOM 241 CA LYS A 17 -3.679 -2.534 15.088 1.00 0.00 C ATOM 242 C LYS A 17 -2.751 -1.439 14.556 1.00 0.00 C ATOM 243 O LYS A 17 -2.898 -0.269 14.909 1.00 0.00 O ATOM 244 CB LYS A 17 -3.364 -2.813 16.561 1.00 0.00 C ATOM 245 CG LYS A 17 -4.397 -2.243 17.521 1.00 0.00 C ATOM 246 CD LYS A 17 -5.789 -2.777 17.227 1.00 0.00 C ATOM 247 CE LYS A 17 -6.260 -3.737 18.310 1.00 0.00 C ATOM 248 NZ LYS A 17 -7.719 -3.607 18.572 1.00 0.00 N ATOM 0 H LYS A 17 -2.946 -4.464 14.717 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.707 -2.182 14.999 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.295 -3.890 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.387 -2.394 16.801 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.120 -2.493 18.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.401 -1.155 17.448 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.489 -1.945 17.147 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.788 -3.286 16.263 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.035 -4.761 18.010 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.708 -3.545 19.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.999 -4.278 19.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.931 -2.637 18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.248 -3.815 17.701 1.00 0.00 H new ATOM 262 N ALA A 18 -1.801 -1.825 13.709 1.00 0.00 N ATOM 263 CA ALA A 18 -0.858 -0.870 13.139 1.00 0.00 C ATOM 264 C ALA A 18 -1.544 0.052 12.136 1.00 0.00 C ATOM 265 O ALA A 18 -1.420 1.274 12.215 1.00 0.00 O ATOM 266 CB ALA A 18 0.297 -1.605 12.475 1.00 0.00 C ATOM 0 H ALA A 18 -1.665 -2.789 13.404 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.469 -0.254 13.950 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.994 -0.881 12.053 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.813 -2.217 13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.087 -2.244 11.680 1.00 0.00 H new ATOM 272 N LYS A 19 -2.263 -0.542 11.189 1.00 0.00 N ATOM 273 CA LYS A 19 -2.966 0.226 10.166 1.00 0.00 C ATOM 274 C LYS A 19 -3.925 1.231 10.799 1.00 0.00 C ATOM 275 O LYS A 19 -4.027 2.373 10.350 1.00 0.00 O ATOM 276 CB LYS A 19 -3.735 -0.710 9.233 1.00 0.00 C ATOM 277 CG LYS A 19 -4.730 -1.604 9.953 1.00 0.00 C ATOM 278 CD LYS A 19 -5.285 -2.679 9.028 1.00 0.00 C ATOM 279 CE LYS A 19 -6.734 -3.005 9.354 1.00 0.00 C ATOM 280 NZ LYS A 19 -6.887 -4.386 9.887 1.00 0.00 N ATOM 0 H LYS A 19 -2.375 -1.553 11.108 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.223 0.775 9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.266 -0.114 8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.024 -1.334 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.246 -2.074 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.549 -0.999 10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.211 -2.343 7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.680 -3.582 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.111 -2.290 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.342 -2.893 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.448 -4.955 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.949 -4.818 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.371 -4.351 10.807 1.00 0.00 H new ATOM 294 N ALA A 20 -4.625 0.799 11.843 1.00 0.00 N ATOM 295 CA ALA A 20 -5.575 1.661 12.535 1.00 0.00 C ATOM 296 C ALA A 20 -4.866 2.830 13.210 1.00 0.00 C ATOM 297 O ALA A 20 -5.327 3.969 13.149 1.00 0.00 O ATOM 298 CB ALA A 20 -6.367 0.860 13.556 1.00 0.00 C ATOM 0 H ALA A 20 -4.552 -0.143 12.228 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.264 2.068 11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.073 1.516 14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.913 0.064 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.684 0.425 14.286 1.00 0.00 H new ATOM 304 N ASN A 21 -3.742 2.538 13.856 1.00 0.00 N ATOM 305 CA ASN A 21 -2.968 3.565 14.546 1.00 0.00 C ATOM 306 C ASN A 21 -2.463 4.617 13.564 1.00 0.00 C ATOM 307 O ASN A 21 -2.367 5.798 13.898 1.00 0.00 O ATOM 308 CB ASN A 21 -1.788 2.931 15.286 1.00 0.00 C ATOM 309 CG ASN A 21 -2.117 2.611 16.730 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.404 3.505 17.527 1.00 0.00 O ATOM 311 ND2 ASN A 21 -2.078 1.329 17.075 1.00 0.00 N ATOM 0 H ASN A 21 -3.347 1.600 13.916 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.621 4.054 15.269 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.490 2.017 14.773 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.935 3.609 15.252 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.291 1.052 18.033 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.835 0.621 16.382 1.00 0.00 H new ATOM 318 N LEU A 22 -2.139 4.181 12.351 1.00 0.00 N ATOM 319 CA LEU A 22 -1.642 5.085 11.320 1.00 0.00 C ATOM 320 C LEU A 22 -2.796 5.768 10.591 1.00 0.00 C ATOM 321 O LEU A 22 -2.768 6.976 10.357 1.00 0.00 O ATOM 322 CB LEU A 22 -0.769 4.323 10.321 1.00 0.00 C ATOM 323 CG LEU A 22 -0.319 5.130 9.100 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.351 6.425 9.535 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.620 4.305 8.234 1.00 0.00 C ATOM 0 H LEU A 22 -2.212 3.207 12.058 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.039 5.853 11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.116 3.958 10.841 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.319 3.448 9.975 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.199 5.382 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.665 6.986 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.353 7.022 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.222 6.196 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.930 4.894 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.498 4.023 8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.106 3.406 7.894 1.00 0.00 H new ATOM 337 N GLU A 23 -3.809 4.985 10.233 1.00 0.00 N ATOM 338 CA GLU A 23 -4.973 5.512 9.529 1.00 0.00 C ATOM 339 C GLU A 23 -5.609 6.664 10.303 1.00 0.00 C ATOM 340 O GLU A 23 -6.250 7.537 9.718 1.00 0.00 O ATOM 341 CB GLU A 23 -6.003 4.405 9.299 1.00 0.00 C ATOM 342 CG GLU A 23 -6.971 4.700 8.165 1.00 0.00 C ATOM 343 CD GLU A 23 -7.320 3.462 7.362 1.00 0.00 C ATOM 344 OE1 GLU A 23 -6.423 2.925 6.678 1.00 0.00 O ATOM 345 OE2 GLU A 23 -8.491 3.028 7.418 1.00 0.00 O ATOM 0 H GLU A 23 -3.847 3.983 10.419 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.637 5.892 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.480 3.473 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.569 4.250 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.884 5.133 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.533 5.447 7.503 1.00 0.00 H new ATOM 352 N LYS A 24 -5.426 6.665 11.619 1.00 0.00 N ATOM 353 CA LYS A 24 -5.979 7.717 12.462 1.00 0.00 C ATOM 354 C LYS A 24 -5.122 8.973 12.371 1.00 0.00 C ATOM 355 O LYS A 24 -5.634 10.076 12.180 1.00 0.00 O ATOM 356 CB LYS A 24 -6.073 7.249 13.915 1.00 0.00 C ATOM 357 CG LYS A 24 -7.288 6.378 14.195 1.00 0.00 C ATOM 358 CD LYS A 24 -6.992 5.334 15.261 1.00 0.00 C ATOM 359 CE LYS A 24 -7.216 5.889 16.659 1.00 0.00 C ATOM 360 NZ LYS A 24 -7.244 4.809 17.684 1.00 0.00 N ATOM 0 H LYS A 24 -4.900 5.951 12.123 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.983 7.949 12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.171 6.692 14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.103 8.121 14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.119 7.004 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.601 5.883 13.276 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.630 4.464 15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.961 4.995 15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.424 6.598 16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.156 6.440 16.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.399 5.226 18.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.016 4.146 17.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.337 4.300 17.676 1.00 0.00 H new ATOM 374 N ARG A 25 -3.812 8.795 12.498 1.00 0.00 N ATOM 375 CA ARG A 25 -2.881 9.911 12.418 1.00 0.00 C ATOM 376 C ARG A 25 -2.830 10.458 10.996 1.00 0.00 C ATOM 377 O ARG A 25 -2.546 11.637 10.782 1.00 0.00 O ATOM 378 CB ARG A 25 -1.482 9.471 12.858 1.00 0.00 C ATOM 379 CG ARG A 25 -1.261 9.562 14.358 1.00 0.00 C ATOM 380 CD ARG A 25 0.198 9.831 14.691 1.00 0.00 C ATOM 381 NE ARG A 25 0.343 10.700 15.856 1.00 0.00 N ATOM 382 CZ ARG A 25 1.511 10.982 16.431 1.00 0.00 C ATOM 383 NH1 ARG A 25 2.636 10.466 15.951 1.00 0.00 N ATOM 384 NH2 ARG A 25 1.553 11.783 17.486 1.00 0.00 N ATOM 0 H ARG A 25 -3.372 7.888 12.657 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.229 10.698 13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.315 8.443 12.536 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.740 10.088 12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.882 10.357 14.771 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.578 8.632 14.831 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.707 8.886 14.879 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.687 10.291 13.832 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.500 11.115 16.253 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.609 9.850 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.528 10.685 16.395 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.691 12.183 17.857 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.447 11.999 17.927 1.00 0.00 H new ATOM 398 N ILE A 26 -3.115 9.594 10.025 1.00 0.00 N ATOM 399 CA ILE A 26 -3.107 9.991 8.625 1.00 0.00 C ATOM 400 C ILE A 26 -4.285 10.912 8.312 1.00 0.00 C ATOM 401 O ILE A 26 -4.204 11.763 7.426 1.00 0.00 O ATOM 402 CB ILE A 26 -3.134 8.754 7.691 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.278 9.010 6.447 1.00 0.00 C ATOM 404 CG2 ILE A 26 -4.558 8.382 7.293 1.00 0.00 C ATOM 405 CD1 ILE A 26 -1.290 7.901 6.157 1.00 0.00 C ATOM 0 H ILE A 26 -3.354 8.615 10.185 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.181 10.537 8.445 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.716 7.911 8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.933 9.138 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.734 9.946 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.537 7.511 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.137 8.150 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.020 9.219 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.718 8.148 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.612 7.788 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.828 6.967 5.996 1.00 0.00 H new ATOM 417 N LYS A 27 -5.380 10.736 9.049 1.00 0.00 N ATOM 418 CA LYS A 27 -6.574 11.550 8.853 1.00 0.00 C ATOM 419 C LYS A 27 -6.501 12.828 9.681 1.00 0.00 C ATOM 420 O LYS A 27 -7.030 13.867 9.288 1.00 0.00 O ATOM 421 CB LYS A 27 -7.825 10.757 9.228 1.00 0.00 C ATOM 422 CG LYS A 27 -9.119 11.525 9.014 1.00 0.00 C ATOM 423 CD LYS A 27 -10.335 10.660 9.304 1.00 0.00 C ATOM 424 CE LYS A 27 -11.627 11.446 9.149 1.00 0.00 C ATOM 425 NZ LYS A 27 -12.271 11.206 7.829 1.00 0.00 N ATOM 0 H LYS A 27 -5.463 10.037 9.787 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.629 11.823 7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.854 9.841 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.757 10.461 10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.133 12.403 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.164 11.885 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.344 9.805 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.268 10.264 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.318 11.168 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.420 12.510 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.827 12.042 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.538 11.030 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.898 10.379 7.894 1.00 0.00 H new ATOM 439 N ALA A 28 -5.840 12.743 10.833 1.00 0.00 N ATOM 440 CA ALA A 28 -5.697 13.893 11.718 1.00 0.00 C ATOM 441 C ALA A 28 -4.735 14.919 11.131 1.00 0.00 C ATOM 442 O ALA A 28 -4.890 16.121 11.339 1.00 0.00 O ATOM 443 CB ALA A 28 -5.225 13.446 13.093 1.00 0.00 C ATOM 0 H ALA A 28 -5.396 11.890 11.174 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.673 14.367 11.820 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.123 14.315 13.743 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.953 12.756 13.521 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.261 12.946 13.002 1.00 0.00 H new ATOM 449 N PHE A 29 -3.739 14.433 10.396 1.00 0.00 N ATOM 450 CA PHE A 29 -2.749 15.308 9.777 1.00 0.00 C ATOM 451 C PHE A 29 -3.211 15.778 8.396 1.00 0.00 C ATOM 452 O PHE A 29 -2.463 16.439 7.677 1.00 0.00 O ATOM 453 CB PHE A 29 -1.406 14.588 9.659 1.00 0.00 C ATOM 454 CG PHE A 29 -0.513 14.781 10.851 1.00 0.00 C ATOM 455 CD1 PHE A 29 0.154 15.980 11.047 1.00 0.00 C ATOM 456 CD2 PHE A 29 -0.340 13.764 11.777 1.00 0.00 C ATOM 457 CE1 PHE A 29 0.975 16.160 12.144 1.00 0.00 C ATOM 458 CE2 PHE A 29 0.481 13.939 12.875 1.00 0.00 C ATOM 459 CZ PHE A 29 1.139 15.140 13.058 1.00 0.00 C ATOM 0 H PHE A 29 -3.596 13.439 10.215 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.632 16.184 10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.586 13.522 9.519 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.890 14.944 8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.031 16.782 10.335 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.853 12.824 11.639 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.488 17.100 12.286 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.608 13.138 13.589 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.781 15.280 13.915 1.00 0.00 H new ATOM 469 N GLY A 30 -4.444 15.435 8.030 1.00 0.00 N ATOM 470 CA GLY A 30 -4.970 15.835 6.739 1.00 0.00 C ATOM 471 C GLY A 30 -4.198 15.228 5.585 1.00 0.00 C ATOM 472 O GLY A 30 -3.834 15.926 4.638 1.00 0.00 O ATOM 0 H GLY A 30 -5.086 14.888 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.016 15.538 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.942 16.922 6.659 1.00 0.00 H new ATOM 476 N LEU A 31 -3.949 13.924 5.660 1.00 0.00 N ATOM 477 CA LEU A 31 -3.214 13.223 4.612 1.00 0.00 C ATOM 478 C LEU A 31 -4.123 12.264 3.844 1.00 0.00 C ATOM 479 O LEU A 31 -3.648 11.458 3.043 1.00 0.00 O ATOM 480 CB LEU A 31 -2.037 12.452 5.214 1.00 0.00 C ATOM 481 CG LEU A 31 -1.247 13.209 6.282 1.00 0.00 C ATOM 482 CD1 LEU A 31 -0.394 12.247 7.097 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.381 14.282 5.641 1.00 0.00 C ATOM 0 H LEU A 31 -4.245 13.331 6.435 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.836 13.970 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.413 11.526 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.356 12.172 4.410 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.953 13.694 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.161 12.803 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.037 11.515 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.305 11.733 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.175 14.811 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.318 13.818 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.014 14.987 5.102 1.00 0.00 H new ATOM 495 N GLN A 32 -5.427 12.352 4.089 1.00 0.00 N ATOM 496 CA GLN A 32 -6.388 11.488 3.415 1.00 0.00 C ATOM 497 C GLN A 32 -6.404 11.746 1.909 1.00 0.00 C ATOM 498 O GLN A 32 -6.900 10.927 1.137 1.00 0.00 O ATOM 499 CB GLN A 32 -7.789 11.700 3.992 1.00 0.00 C ATOM 500 CG GLN A 32 -8.596 10.418 4.119 1.00 0.00 C ATOM 501 CD GLN A 32 -8.996 10.118 5.551 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.840 10.803 6.128 1.00 0.00 O ATOM 503 NE2 GLN A 32 -8.390 9.089 6.131 1.00 0.00 N ATOM 0 H GLN A 32 -5.841 13.012 4.748 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.082 10.455 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.702 12.163 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.332 12.400 3.357 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.493 10.496 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.012 9.585 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.696 8.549 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.618 8.839 7.093 1.00 0.00 H new ATOM 512 N ASP A 33 -5.861 12.889 1.497 1.00 0.00 N ATOM 513 CA ASP A 33 -5.819 13.249 0.086 1.00 0.00 C ATOM 514 C ASP A 33 -4.674 12.535 -0.628 1.00 0.00 C ATOM 515 O ASP A 33 -4.817 12.108 -1.773 1.00 0.00 O ATOM 516 CB ASP A 33 -5.669 14.762 -0.071 1.00 0.00 C ATOM 517 CG ASP A 33 -6.964 15.502 0.210 1.00 0.00 C ATOM 518 OD1 ASP A 33 -7.785 14.984 0.996 1.00 0.00 O ATOM 519 OD2 ASP A 33 -7.155 16.600 -0.352 1.00 0.00 O ATOM 0 H ASP A 33 -5.445 13.580 2.121 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.758 12.934 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.894 15.120 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.336 14.989 -1.084 1.00 0.00 H new ATOM 524 N LYS A 34 -3.540 12.412 0.054 1.00 0.00 N ATOM 525 CA LYS A 34 -2.373 11.750 -0.520 1.00 0.00 C ATOM 526 C LYS A 34 -2.617 10.251 -0.667 1.00 0.00 C ATOM 527 O LYS A 34 -2.426 9.684 -1.744 1.00 0.00 O ATOM 528 CB LYS A 34 -1.140 11.998 0.351 1.00 0.00 C ATOM 529 CG LYS A 34 -0.317 13.200 -0.087 1.00 0.00 C ATOM 530 CD LYS A 34 0.717 13.579 0.960 1.00 0.00 C ATOM 531 CE LYS A 34 0.256 14.761 1.798 1.00 0.00 C ATOM 532 NZ LYS A 34 -1.138 14.582 2.292 1.00 0.00 N ATOM 0 H LYS A 34 -3.404 12.761 1.003 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.197 12.169 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.458 12.143 1.384 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.508 11.110 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.183 12.976 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.978 14.047 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.909 12.725 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.659 13.825 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.928 14.889 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.316 15.673 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.373 15.349 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.797 14.605 1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.219 13.667 2.780 1.00 0.00 H new ATOM 546 N ILE A 35 -3.044 9.614 0.418 1.00 0.00 N ATOM 547 CA ILE A 35 -3.318 8.183 0.400 1.00 0.00 C ATOM 548 C ILE A 35 -4.682 7.902 -0.219 1.00 0.00 C ATOM 549 O ILE A 35 -5.712 8.342 0.295 1.00 0.00 O ATOM 550 CB ILE A 35 -3.270 7.582 1.821 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.942 7.924 2.498 1.00 0.00 C ATOM 552 CG2 ILE A 35 -3.469 6.074 1.768 1.00 0.00 C ATOM 553 CD1 ILE A 35 -1.961 9.245 3.235 1.00 0.00 C ATOM 0 H ILE A 35 -3.207 10.065 1.318 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.542 7.714 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.080 8.015 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.686 7.130 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.155 7.949 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.432 5.666 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.438 5.850 1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.680 5.624 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.986 9.422 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.186 10.049 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.725 9.217 4.012 1.00 0.00 H new ATOM 565 N PHE A 36 -4.684 7.177 -1.332 1.00 0.00 N ATOM 566 CA PHE A 36 -5.923 6.853 -2.030 1.00 0.00 C ATOM 567 C PHE A 36 -6.377 5.429 -1.723 1.00 0.00 C ATOM 568 O PHE A 36 -7.516 5.212 -1.312 1.00 0.00 O ATOM 569 CB PHE A 36 -5.742 7.036 -3.536 1.00 0.00 C ATOM 570 CG PHE A 36 -5.090 8.342 -3.893 1.00 0.00 C ATOM 571 CD1 PHE A 36 -5.787 9.534 -3.774 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.779 8.378 -4.336 1.00 0.00 C ATOM 573 CE1 PHE A 36 -5.186 10.736 -4.091 1.00 0.00 C ATOM 574 CE2 PHE A 36 -3.175 9.577 -4.656 1.00 0.00 C ATOM 575 CZ PHE A 36 -3.878 10.760 -4.532 1.00 0.00 C ATOM 0 H PHE A 36 -3.842 6.803 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.696 7.535 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.139 6.216 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.715 6.976 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.811 9.523 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.223 7.457 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.740 11.658 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.153 9.591 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.406 11.700 -4.779 1.00 0.00 H new ATOM 585 N GLN A 37 -5.488 4.459 -1.922 1.00 0.00 N ATOM 586 CA GLN A 37 -5.830 3.064 -1.658 1.00 0.00 C ATOM 587 C GLN A 37 -5.130 2.540 -0.410 1.00 0.00 C ATOM 588 O GLN A 37 -4.234 3.180 0.138 1.00 0.00 O ATOM 589 CB GLN A 37 -5.464 2.164 -2.841 1.00 0.00 C ATOM 590 CG GLN A 37 -5.740 2.773 -4.204 1.00 0.00 C ATOM 591 CD GLN A 37 -7.174 2.580 -4.653 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.114 2.967 -3.958 1.00 0.00 O ATOM 593 NE2 GLN A 37 -7.349 1.975 -5.823 1.00 0.00 N ATOM 0 H GLN A 37 -4.538 4.610 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.908 3.037 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.405 1.913 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.019 1.229 -2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.514 3.839 -4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.071 2.326 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.541 1.671 -6.366 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.292 1.815 -6.178 1.00 0.00 H new ATOM 602 N VAL A 38 -5.549 1.357 0.012 1.00 0.00 N ATOM 603 CA VAL A 38 -4.983 0.692 1.176 1.00 0.00 C ATOM 604 C VAL A 38 -5.220 -0.808 1.065 1.00 0.00 C ATOM 605 O VAL A 38 -6.077 -1.371 1.745 1.00 0.00 O ATOM 606 CB VAL A 38 -5.598 1.219 2.489 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.108 1.035 2.487 1.00 0.00 C ATOM 608 CG2 VAL A 38 -4.970 0.530 3.692 1.00 0.00 C ATOM 0 H VAL A 38 -6.293 0.829 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.914 0.903 1.201 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.387 2.286 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.522 1.413 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.540 1.584 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.345 -0.024 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.418 0.916 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.144 -0.544 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.897 0.724 3.703 1.00 0.00 H new ATOM 618 N LEU A 39 -4.468 -1.445 0.173 1.00 0.00 N ATOM 619 CA LEU A 39 -4.604 -2.877 -0.067 1.00 0.00 C ATOM 620 C LEU A 39 -3.890 -3.697 1.003 1.00 0.00 C ATOM 621 O LEU A 39 -2.791 -3.354 1.440 1.00 0.00 O ATOM 622 CB LEU A 39 -4.057 -3.223 -1.459 1.00 0.00 C ATOM 623 CG LEU A 39 -5.094 -3.240 -2.593 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.162 -2.170 -2.400 1.00 0.00 C ATOM 625 CD2 LEU A 39 -4.410 -3.095 -3.948 1.00 0.00 C ATOM 0 H LEU A 39 -3.756 -0.990 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.663 -3.130 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.278 -2.504 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.582 -4.203 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.599 -4.206 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.876 -2.216 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.683 -2.342 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.692 -1.187 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.161 -3.109 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.866 -2.151 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.714 -3.921 -4.094 1.00 0.00 H new ATOM 637 N ILE A 40 -4.533 -4.785 1.419 1.00 0.00 N ATOM 638 CA ILE A 40 -3.978 -5.668 2.437 1.00 0.00 C ATOM 639 C ILE A 40 -3.349 -6.906 1.798 1.00 0.00 C ATOM 640 O ILE A 40 -3.907 -7.480 0.863 1.00 0.00 O ATOM 641 CB ILE A 40 -5.065 -6.115 3.437 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.805 -4.901 3.999 1.00 0.00 C ATOM 643 CG2 ILE A 40 -4.451 -6.934 4.564 1.00 0.00 C ATOM 644 CD1 ILE A 40 -7.221 -5.206 4.438 1.00 0.00 C ATOM 0 H ILE A 40 -5.444 -5.076 1.064 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.211 -5.106 2.970 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.782 -6.743 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.247 -4.507 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.829 -4.117 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.233 -7.240 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.967 -7.818 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.712 -6.331 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.685 -4.299 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.795 -5.572 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.204 -5.967 5.218 1.00 0.00 H new ATOM 656 N PRO A 41 -2.173 -7.337 2.293 1.00 0.00 N ATOM 657 CA PRO A 41 -1.474 -8.512 1.758 1.00 0.00 C ATOM 658 C PRO A 41 -2.157 -9.822 2.137 1.00 0.00 C ATOM 659 O PRO A 41 -1.553 -10.685 2.775 1.00 0.00 O ATOM 660 CB PRO A 41 -0.096 -8.423 2.413 1.00 0.00 C ATOM 661 CG PRO A 41 -0.340 -7.709 3.694 1.00 0.00 C ATOM 662 CD PRO A 41 -1.429 -6.715 3.407 1.00 0.00 C ATOM 0 HA PRO A 41 -1.451 -8.512 0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.327 -9.413 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.609 -7.880 1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.641 -8.404 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.564 -7.209 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.067 -6.555 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.023 -5.743 3.126 1.00 0.00 H new ATOM 670 N THR A 42 -3.416 -9.970 1.739 1.00 0.00 N ATOM 671 CA THR A 42 -4.173 -11.179 2.039 1.00 0.00 C ATOM 672 C THR A 42 -5.026 -11.607 0.852 1.00 0.00 C ATOM 673 O THR A 42 -5.145 -10.883 -0.136 1.00 0.00 O ATOM 674 CB THR A 42 -5.062 -10.958 3.265 1.00 0.00 C ATOM 675 OG1 THR A 42 -6.078 -10.013 2.981 1.00 0.00 O ATOM 676 CG2 THR A 42 -4.302 -10.466 4.477 1.00 0.00 C ATOM 0 H THR A 42 -3.933 -9.269 1.209 1.00 0.00 H new ATOM 0 HA THR A 42 -3.459 -11.975 2.250 1.00 0.00 H new ATOM 0 HB THR A 42 -5.484 -11.936 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.638 -9.886 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.993 -10.331 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.542 -11.198 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.823 -9.515 4.245 1.00 0.00 H new ATOM 948 N LYS A 59 -7.159 -15.759 3.216 1.00 0.00 N ATOM 949 CA LYS A 59 -5.826 -16.290 3.474 1.00 0.00 C ATOM 950 C LYS A 59 -4.823 -15.150 3.641 1.00 0.00 C ATOM 951 O LYS A 59 -5.210 -14.012 3.901 1.00 0.00 O ATOM 952 CB LYS A 59 -5.393 -17.225 2.338 1.00 0.00 C ATOM 953 CG LYS A 59 -6.414 -18.302 2.003 1.00 0.00 C ATOM 954 CD LYS A 59 -7.615 -17.734 1.263 1.00 0.00 C ATOM 955 CE LYS A 59 -8.296 -18.794 0.411 1.00 0.00 C ATOM 956 NZ LYS A 59 -8.618 -20.016 1.197 1.00 0.00 N ATOM 0 HA LYS A 59 -5.854 -16.864 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.200 -16.631 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.452 -17.703 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.942 -19.072 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.748 -18.784 2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.328 -17.329 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.296 -16.906 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.212 -18.384 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.648 -19.060 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.241 -20.634 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.739 -20.524 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.099 -19.745 2.078 1.00 0.00 H new ATOM 970 N LYS A 60 -3.537 -15.455 3.493 1.00 0.00 N ATOM 971 CA LYS A 60 -2.495 -14.444 3.632 1.00 0.00 C ATOM 972 C LYS A 60 -1.380 -14.663 2.615 1.00 0.00 C ATOM 973 O LYS A 60 -0.746 -15.719 2.589 1.00 0.00 O ATOM 974 CB LYS A 60 -1.920 -14.470 5.050 1.00 0.00 C ATOM 975 CG LYS A 60 -1.626 -15.870 5.560 1.00 0.00 C ATOM 976 CD LYS A 60 -1.295 -15.864 7.045 1.00 0.00 C ATOM 977 CE LYS A 60 -1.513 -17.231 7.672 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.258 -18.033 7.709 1.00 0.00 N ATOM 0 H LYS A 60 -3.193 -16.391 3.278 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.943 -13.468 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.001 -13.884 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.623 -13.986 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.488 -16.512 5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.791 -16.294 5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.258 -15.560 7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.916 -15.126 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.895 -17.109 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.273 -17.772 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.450 -18.958 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.094 -18.172 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.459 -17.529 8.269 1.00 0.00 H new ATOM 992 N LEU A 61 -1.143 -13.655 1.779 1.00 0.00 N ATOM 993 CA LEU A 61 -0.101 -13.738 0.759 1.00 0.00 C ATOM 994 C LEU A 61 1.229 -13.221 1.299 1.00 0.00 C ATOM 995 O LEU A 61 2.191 -13.977 1.436 1.00 0.00 O ATOM 996 CB LEU A 61 -0.499 -12.938 -0.482 1.00 0.00 C ATOM 997 CG LEU A 61 -1.990 -12.955 -0.823 1.00 0.00 C ATOM 998 CD1 LEU A 61 -2.355 -11.746 -1.672 1.00 0.00 C ATOM 999 CD2 LEU A 61 -2.356 -14.247 -1.541 1.00 0.00 C ATOM 0 H LEU A 61 -1.657 -12.774 1.788 1.00 0.00 H new ATOM 0 HA LEU A 61 0.015 -14.786 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.187 -11.903 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.056 -13.325 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.559 -12.906 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.419 -11.773 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.128 -10.833 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.780 -11.764 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.420 -14.243 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.780 -14.326 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.130 -15.097 -0.898 1.00 0.00 H new ATOM 1011 N PHE A 62 1.276 -11.926 1.599 1.00 0.00 N ATOM 1012 CA PHE A 62 2.489 -11.307 2.121 1.00 0.00 C ATOM 1013 C PHE A 62 2.367 -11.059 3.625 1.00 0.00 C ATOM 1014 O PHE A 62 1.902 -10.001 4.053 1.00 0.00 O ATOM 1015 CB PHE A 62 2.772 -9.985 1.399 1.00 0.00 C ATOM 1016 CG PHE A 62 2.476 -10.020 -0.074 1.00 0.00 C ATOM 1017 CD1 PHE A 62 3.346 -10.642 -0.956 1.00 0.00 C ATOM 1018 CD2 PHE A 62 1.331 -9.425 -0.577 1.00 0.00 C ATOM 1019 CE1 PHE A 62 3.077 -10.670 -2.313 1.00 0.00 C ATOM 1020 CE2 PHE A 62 1.056 -9.448 -1.931 1.00 0.00 C ATOM 1021 CZ PHE A 62 1.931 -10.072 -2.800 1.00 0.00 C ATOM 0 H PHE A 62 0.489 -11.286 1.490 1.00 0.00 H new ATOM 0 HA PHE A 62 3.318 -11.992 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.178 -9.196 1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.820 -9.721 1.543 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.244 -11.110 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.644 -8.937 0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.762 -11.159 -2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.159 -8.979 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.719 -10.092 -3.859 1.00 0.00 H new ATOM 1031 N PRO A 63 2.784 -12.035 4.452 1.00 0.00 N ATOM 1032 CA PRO A 63 2.716 -11.913 5.913 1.00 0.00 C ATOM 1033 C PRO A 63 3.606 -10.794 6.442 1.00 0.00 C ATOM 1034 O PRO A 63 4.814 -10.782 6.204 1.00 0.00 O ATOM 1035 CB PRO A 63 3.211 -13.273 6.415 1.00 0.00 C ATOM 1036 CG PRO A 63 4.002 -13.839 5.286 1.00 0.00 C ATOM 1037 CD PRO A 63 3.353 -13.327 4.032 1.00 0.00 C ATOM 0 HA PRO A 63 1.710 -11.663 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.824 -13.164 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.377 -13.924 6.677 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.044 -13.525 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.996 -14.929 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.076 -13.206 3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.583 -14.008 3.670 1.00 0.00 H new ATOM 1045 N GLY A 64 3.000 -9.856 7.163 1.00 0.00 N ATOM 1046 CA GLY A 64 3.751 -8.746 7.718 1.00 0.00 C ATOM 1047 C GLY A 64 4.057 -7.677 6.687 1.00 0.00 C ATOM 1048 O GLY A 64 5.066 -6.981 6.788 1.00 0.00 O ATOM 0 H GLY A 64 2.002 -9.845 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.186 -8.304 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.685 -9.118 8.139 1.00 0.00 H new ATOM 1052 N TYR A 65 3.186 -7.548 5.691 1.00 0.00 N ATOM 1053 CA TYR A 65 3.372 -6.555 4.638 1.00 0.00 C ATOM 1054 C TYR A 65 2.235 -5.536 4.639 1.00 0.00 C ATOM 1055 O TYR A 65 1.295 -5.641 5.426 1.00 0.00 O ATOM 1056 CB TYR A 65 3.449 -7.241 3.274 1.00 0.00 C ATOM 1057 CG TYR A 65 4.842 -7.695 2.898 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.348 -8.903 3.361 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.650 -6.917 2.078 1.00 0.00 C ATOM 1060 CE1 TYR A 65 6.619 -9.324 3.016 1.00 0.00 C ATOM 1061 CE2 TYR A 65 6.922 -7.330 1.729 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.401 -8.533 2.202 1.00 0.00 C ATOM 1063 OH TYR A 65 8.667 -8.948 1.855 1.00 0.00 O ATOM 0 H TYR A 65 2.346 -8.117 5.591 1.00 0.00 H new ATOM 0 HA TYR A 65 4.307 -6.029 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.783 -8.104 3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.082 -6.555 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.738 -9.524 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.278 -5.973 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.997 -10.267 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.537 -6.714 1.090 1.00 0.00 H new ATOM 0 HH TYR A 65 9.328 -8.468 2.396 1.00 0.00 H new ATOM 1073 N LEU A 66 2.329 -4.555 3.748 1.00 0.00 N ATOM 1074 CA LEU A 66 1.310 -3.519 3.636 1.00 0.00 C ATOM 1075 C LEU A 66 1.387 -2.829 2.276 1.00 0.00 C ATOM 1076 O LEU A 66 2.465 -2.712 1.695 1.00 0.00 O ATOM 1077 CB LEU A 66 1.478 -2.487 4.754 1.00 0.00 C ATOM 1078 CG LEU A 66 0.253 -1.606 5.011 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -0.887 -2.431 5.586 1.00 0.00 C ATOM 1080 CD2 LEU A 66 0.610 -0.461 5.947 1.00 0.00 C ATOM 0 H LEU A 66 3.103 -4.456 3.091 1.00 0.00 H new ATOM 0 HA LEU A 66 0.332 -3.991 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.730 -3.011 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.324 -1.844 4.511 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.075 -1.185 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.749 -1.788 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.159 -3.217 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.572 -2.881 6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.272 0.156 6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.963 -0.864 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.395 0.146 5.496 1.00 0.00 H new ATOM 1092 N PHE A 67 0.242 -2.373 1.776 1.00 0.00 N ATOM 1093 CA PHE A 67 0.191 -1.695 0.485 1.00 0.00 C ATOM 1094 C PHE A 67 -0.620 -0.408 0.579 1.00 0.00 C ATOM 1095 O PHE A 67 -1.772 -0.418 1.013 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.413 -2.612 -0.578 1.00 0.00 C ATOM 1097 CG PHE A 67 0.439 -3.806 -0.894 1.00 0.00 C ATOM 1098 CD1 PHE A 67 0.619 -4.812 0.042 1.00 0.00 C ATOM 1099 CD2 PHE A 67 1.055 -3.928 -2.129 1.00 0.00 C ATOM 1100 CE1 PHE A 67 1.398 -5.915 -0.247 1.00 0.00 C ATOM 1101 CE2 PHE A 67 1.836 -5.029 -2.423 1.00 0.00 C ATOM 1102 CZ PHE A 67 2.008 -6.024 -1.482 1.00 0.00 C ATOM 0 H PHE A 67 -0.660 -2.460 2.244 1.00 0.00 H new ATOM 0 HA PHE A 67 1.212 -1.443 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.391 -2.953 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.575 -2.039 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.144 -4.732 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.923 -3.154 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.530 -6.692 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.312 -5.111 -3.389 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.618 -6.886 -1.710 1.00 0.00 H new ATOM 1112 N ILE A 68 -0.012 0.700 0.167 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.677 1.996 0.206 1.00 0.00 C ATOM 1114 C ILE A 68 -0.496 2.743 -1.110 1.00 0.00 C ATOM 1115 O ILE A 68 0.614 3.152 -1.452 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.141 2.876 1.354 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.147 2.027 2.595 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -1.133 3.982 1.682 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.601 1.626 2.723 1.00 0.00 C ATOM 0 H ILE A 68 0.940 0.725 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.736 1.799 0.374 1.00 0.00 H new ATOM 0 HB ILE A 68 0.793 3.334 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.149 2.584 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.469 1.128 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.740 4.594 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.288 4.604 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.082 3.541 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.735 1.027 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.895 1.042 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.221 2.520 2.787 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.589 2.923 -1.844 1.00 0.00 N ATOM 1132 CA GLN A 69 -1.535 3.630 -3.119 1.00 0.00 C ATOM 1133 C GLN A 69 -1.514 5.136 -2.898 1.00 0.00 C ATOM 1134 O GLN A 69 -2.501 5.827 -3.152 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.721 3.247 -4.000 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.541 3.634 -5.459 1.00 0.00 C ATOM 1137 CD GLN A 69 -3.835 4.079 -6.109 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -4.444 5.064 -5.696 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -4.262 3.353 -7.137 1.00 0.00 N ATOM 0 H GLN A 69 -2.517 2.592 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.616 3.338 -3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.880 2.171 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.621 3.726 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.808 4.438 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.136 2.784 -6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.725 2.543 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.126 3.606 -7.616 1.00 0.00 H new ATOM 1148 N MET A 70 -0.377 5.631 -2.420 1.00 0.00 N ATOM 1149 CA MET A 70 -0.200 7.056 -2.161 1.00 0.00 C ATOM 1150 C MET A 70 0.378 7.761 -3.386 1.00 0.00 C ATOM 1151 O MET A 70 0.407 7.197 -4.479 1.00 0.00 O ATOM 1152 CB MET A 70 0.704 7.267 -0.941 1.00 0.00 C ATOM 1153 CG MET A 70 2.055 6.579 -1.053 1.00 0.00 C ATOM 1154 SD MET A 70 2.606 5.877 0.515 1.00 0.00 S ATOM 1155 CE MET A 70 2.205 7.207 1.645 1.00 0.00 C ATOM 0 H MET A 70 0.441 5.062 -2.203 1.00 0.00 H new ATOM 0 HA MET A 70 -1.177 7.491 -1.949 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.862 8.336 -0.798 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.191 6.898 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.995 5.788 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.796 7.296 -1.407 1.00 0.00 H new ATOM 0 HE1 MET A 70 2.883 7.177 2.498 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.309 8.163 1.133 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.179 7.091 1.994 1.00 0.00 H new ATOM 1165 N ASP A 71 0.844 8.993 -3.199 1.00 0.00 N ATOM 1166 CA ASP A 71 1.427 9.764 -4.292 1.00 0.00 C ATOM 1167 C ASP A 71 2.698 10.478 -3.840 1.00 0.00 C ATOM 1168 O ASP A 71 2.683 11.679 -3.568 1.00 0.00 O ATOM 1169 CB ASP A 71 0.418 10.783 -4.827 1.00 0.00 C ATOM 1170 CG ASP A 71 -0.257 11.567 -3.720 1.00 0.00 C ATOM 1171 OD1 ASP A 71 0.372 12.506 -3.189 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -1.416 11.245 -3.385 1.00 0.00 O ATOM 0 H ASP A 71 0.829 9.478 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 71 1.687 9.069 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.926 11.474 -5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.340 10.265 -5.415 1.00 0.00 H new ATOM 1177 N LEU A 72 3.796 9.733 -3.764 1.00 0.00 N ATOM 1178 CA LEU A 72 5.076 10.296 -3.348 1.00 0.00 C ATOM 1179 C LEU A 72 5.957 10.596 -4.557 1.00 0.00 C ATOM 1180 O LEU A 72 6.518 11.685 -4.672 1.00 0.00 O ATOM 1181 CB LEU A 72 5.804 9.333 -2.406 1.00 0.00 C ATOM 1182 CG LEU A 72 5.053 8.994 -1.117 1.00 0.00 C ATOM 1183 CD1 LEU A 72 5.651 7.759 -0.462 1.00 0.00 C ATOM 1184 CD2 LEU A 72 5.079 10.175 -0.159 1.00 0.00 C ATOM 0 H LEU A 72 3.825 8.738 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 72 4.876 11.229 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.007 8.407 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.769 9.767 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 72 4.014 8.780 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.105 7.532 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.579 6.914 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.698 7.945 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.540 9.916 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.112 10.421 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.604 11.036 -0.629 1.00 0.00 H new ATOM 1245 N GLU A 77 12.509 15.635 -2.105 1.00 0.00 N ATOM 1246 CA GLU A 77 12.258 14.975 -0.829 1.00 0.00 C ATOM 1247 C GLU A 77 10.798 14.535 -0.723 1.00 0.00 C ATOM 1248 O GLU A 77 9.899 15.221 -1.210 1.00 0.00 O ATOM 1249 CB GLU A 77 12.611 15.910 0.331 1.00 0.00 C ATOM 1250 CG GLU A 77 13.825 15.460 1.128 1.00 0.00 C ATOM 1251 CD GLU A 77 13.501 15.192 2.585 1.00 0.00 C ATOM 1252 OE1 GLU A 77 13.480 16.159 3.376 1.00 0.00 O ATOM 1253 OE2 GLU A 77 13.269 14.016 2.935 1.00 0.00 O ATOM 0 HA GLU A 77 12.890 14.088 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.795 16.910 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.754 15.984 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.235 14.555 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.599 16.225 1.067 1.00 0.00 H new ATOM 1260 N PRO A 78 10.541 13.381 -0.081 1.00 0.00 N ATOM 1261 CA PRO A 78 9.179 12.859 0.083 1.00 0.00 C ATOM 1262 C PRO A 78 8.247 13.876 0.732 1.00 0.00 C ATOM 1263 O PRO A 78 8.659 14.986 1.068 1.00 0.00 O ATOM 1264 CB PRO A 78 9.366 11.646 0.998 1.00 0.00 C ATOM 1265 CG PRO A 78 10.783 11.233 0.803 1.00 0.00 C ATOM 1266 CD PRO A 78 11.550 12.497 0.532 1.00 0.00 C ATOM 0 HA PRO A 78 8.718 12.617 -0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.169 11.902 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.680 10.842 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.167 10.726 1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.875 10.535 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.957 12.925 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.391 12.321 -0.138 1.00 0.00 H new ATOM 1274 N ASN A 79 6.986 13.489 0.904 1.00 0.00 N ATOM 1275 CA ASN A 79 5.995 14.370 1.513 1.00 0.00 C ATOM 1276 C ASN A 79 5.960 14.181 3.026 1.00 0.00 C ATOM 1277 O ASN A 79 6.800 13.485 3.595 1.00 0.00 O ATOM 1278 CB ASN A 79 4.611 14.101 0.918 1.00 0.00 C ATOM 1279 CG ASN A 79 4.185 15.177 -0.060 1.00 0.00 C ATOM 1280 OD1 ASN A 79 4.186 14.966 -1.274 1.00 0.00 O ATOM 1281 ND2 ASN A 79 3.819 16.342 0.464 1.00 0.00 N ATOM 0 H ASN A 79 6.627 12.574 0.631 1.00 0.00 H new ATOM 0 HA ASN A 79 6.278 15.401 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.617 13.136 0.412 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.879 14.035 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.524 17.105 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.833 16.473 1.475 1.00 0.00 H new ATOM 1288 N GLU A 80 4.982 14.809 3.672 1.00 0.00 N ATOM 1289 CA GLU A 80 4.836 14.712 5.119 1.00 0.00 C ATOM 1290 C GLU A 80 4.365 13.319 5.532 1.00 0.00 C ATOM 1291 O GLU A 80 4.628 12.872 6.648 1.00 0.00 O ATOM 1292 CB GLU A 80 3.852 15.767 5.626 1.00 0.00 C ATOM 1293 CG GLU A 80 3.907 15.977 7.130 1.00 0.00 C ATOM 1294 CD GLU A 80 3.012 17.111 7.594 1.00 0.00 C ATOM 1295 OE1 GLU A 80 2.023 17.411 6.893 1.00 0.00 O ATOM 1296 OE2 GLU A 80 3.301 17.698 8.658 1.00 0.00 O ATOM 0 H GLU A 80 4.279 15.390 3.215 1.00 0.00 H new ATOM 0 HA GLU A 80 5.813 14.890 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.059 16.714 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.841 15.473 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.611 15.056 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.935 16.186 7.427 1.00 0.00 H new ATOM 1303 N ALA A 81 3.670 12.639 4.624 1.00 0.00 N ATOM 1304 CA ALA A 81 3.163 11.298 4.896 1.00 0.00 C ATOM 1305 C ALA A 81 4.278 10.368 5.367 1.00 0.00 C ATOM 1306 O ALA A 81 4.036 9.426 6.123 1.00 0.00 O ATOM 1307 CB ALA A 81 2.492 10.728 3.656 1.00 0.00 C ATOM 0 H ALA A 81 3.445 12.994 3.695 1.00 0.00 H new ATOM 0 HA ALA A 81 2.427 11.373 5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.118 9.727 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.661 11.371 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.215 10.677 2.842 1.00 0.00 H new ATOM 1313 N TRP A 82 5.500 10.640 4.918 1.00 0.00 N ATOM 1314 CA TRP A 82 6.649 9.826 5.295 1.00 0.00 C ATOM 1315 C TRP A 82 6.993 10.019 6.767 1.00 0.00 C ATOM 1316 O TRP A 82 7.400 9.079 7.450 1.00 0.00 O ATOM 1317 CB TRP A 82 7.859 10.178 4.426 1.00 0.00 C ATOM 1318 CG TRP A 82 8.932 9.135 4.459 1.00 0.00 C ATOM 1319 CD1 TRP A 82 10.261 9.332 4.711 1.00 0.00 C ATOM 1320 CD2 TRP A 82 8.771 7.731 4.231 1.00 0.00 C ATOM 1321 NE1 TRP A 82 10.933 8.135 4.655 1.00 0.00 N ATOM 1322 CE2 TRP A 82 10.041 7.137 4.361 1.00 0.00 C ATOM 1323 CE3 TRP A 82 7.674 6.917 3.931 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 10.242 5.769 4.202 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 7.876 5.559 3.772 1.00 0.00 C ATOM 1326 CH2 TRP A 82 9.152 4.997 3.910 1.00 0.00 C ATOM 0 H TRP A 82 5.719 11.417 4.294 1.00 0.00 H new ATOM 0 HA TRP A 82 6.388 8.780 5.135 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.530 10.319 3.396 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.275 11.128 4.761 1.00 0.00 H new ATOM 0 HD1 TRP A 82 10.716 10.288 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 82 11.934 8.009 4.808 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.687 7.342 3.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 11.224 5.333 4.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.037 4.921 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.277 3.932 3.783 1.00 0.00 H new ATOM 1337 N GLU A 83 6.827 11.245 7.253 1.00 0.00 N ATOM 1338 CA GLU A 83 7.120 11.560 8.646 1.00 0.00 C ATOM 1339 C GLU A 83 6.148 10.845 9.582 1.00 0.00 C ATOM 1340 O GLU A 83 6.495 10.512 10.714 1.00 0.00 O ATOM 1341 CB GLU A 83 7.047 13.072 8.876 1.00 0.00 C ATOM 1342 CG GLU A 83 7.785 13.882 7.822 1.00 0.00 C ATOM 1343 CD GLU A 83 8.574 15.031 8.418 1.00 0.00 C ATOM 1344 OE1 GLU A 83 9.662 14.779 8.976 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.104 16.186 8.325 1.00 0.00 O ATOM 0 H GLU A 83 6.491 12.036 6.703 1.00 0.00 H new ATOM 0 HA GLU A 83 8.130 11.214 8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.001 13.379 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.462 13.303 9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.462 13.227 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.067 14.274 7.101 1.00 0.00 H new ATOM 1352 N VAL A 84 4.931 10.614 9.098 1.00 0.00 N ATOM 1353 CA VAL A 84 3.911 9.939 9.890 1.00 0.00 C ATOM 1354 C VAL A 84 4.084 8.425 9.834 1.00 0.00 C ATOM 1355 O VAL A 84 4.022 7.745 10.859 1.00 0.00 O ATOM 1356 CB VAL A 84 2.494 10.299 9.406 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.445 9.753 10.362 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.350 11.806 9.250 1.00 0.00 C ATOM 0 H VAL A 84 4.629 10.884 8.162 1.00 0.00 H new ATOM 0 HA VAL A 84 4.034 10.279 10.918 1.00 0.00 H new ATOM 0 HB VAL A 84 2.337 9.838 8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.451 10.018 10.002 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.533 8.668 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.598 10.181 11.353 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.342 12.042 8.907 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.529 12.290 10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.075 12.167 8.521 1.00 0.00 H new ATOM 1368 N VAL A 85 4.299 7.901 8.632 1.00 0.00 N ATOM 1369 CA VAL A 85 4.478 6.467 8.443 1.00 0.00 C ATOM 1370 C VAL A 85 5.701 5.962 9.204 1.00 0.00 C ATOM 1371 O VAL A 85 5.621 4.982 9.944 1.00 0.00 O ATOM 1372 CB VAL A 85 4.630 6.110 6.952 1.00 0.00 C ATOM 1373 CG1 VAL A 85 4.664 4.600 6.764 1.00 0.00 C ATOM 1374 CG2 VAL A 85 3.506 6.731 6.135 1.00 0.00 C ATOM 0 H VAL A 85 4.353 8.449 7.773 1.00 0.00 H new ATOM 0 HA VAL A 85 3.584 5.982 8.834 1.00 0.00 H new ATOM 0 HB VAL A 85 5.575 6.519 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.772 4.368 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.508 4.184 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.737 4.166 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.631 6.467 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.547 6.356 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.534 7.815 6.243 1.00 0.00 H new ATOM 1384 N ARG A 86 6.830 6.636 9.016 1.00 0.00 N ATOM 1385 CA ARG A 86 8.068 6.253 9.686 1.00 0.00 C ATOM 1386 C ARG A 86 7.945 6.424 11.196 1.00 0.00 C ATOM 1387 O ARG A 86 8.581 5.704 11.966 1.00 0.00 O ATOM 1388 CB ARG A 86 9.239 7.087 9.160 1.00 0.00 C ATOM 1389 CG ARG A 86 10.569 6.751 9.815 1.00 0.00 C ATOM 1390 CD ARG A 86 11.734 6.959 8.859 1.00 0.00 C ATOM 1391 NE ARG A 86 12.659 7.983 9.340 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.919 8.098 8.925 1.00 0.00 C ATOM 1393 NH1 ARG A 86 14.408 7.257 8.023 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.692 9.057 9.416 1.00 0.00 N ATOM 0 H ARG A 86 6.914 7.449 8.406 1.00 0.00 H new ATOM 0 HA ARG A 86 8.256 5.201 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.326 6.938 8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.022 8.143 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.707 7.374 10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.557 5.715 10.154 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.269 6.018 8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.352 7.246 7.879 1.00 0.00 H new ATOM 0 HE ARG A 86 12.320 8.649 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.818 6.517 7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.374 7.351 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.321 9.705 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.657 9.146 9.099 1.00 0.00 H new ATOM 1408 N GLY A 87 7.126 7.382 11.614 1.00 0.00 N ATOM 1409 CA GLY A 87 6.936 7.631 13.032 1.00 0.00 C ATOM 1410 C GLY A 87 5.961 6.660 13.668 1.00 0.00 C ATOM 1411 O GLY A 87 6.040 6.385 14.865 1.00 0.00 O ATOM 0 H GLY A 87 6.590 7.991 10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.897 7.561 13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.573 8.649 13.173 1.00 0.00 H new ATOM 1415 N THR A 88 5.039 6.139 12.866 1.00 0.00 N ATOM 1416 CA THR A 88 4.044 5.193 13.360 1.00 0.00 C ATOM 1417 C THR A 88 4.694 3.858 13.720 1.00 0.00 C ATOM 1418 O THR A 88 5.668 3.443 13.094 1.00 0.00 O ATOM 1419 CB THR A 88 2.950 4.977 12.312 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.411 5.337 11.021 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.693 5.773 12.587 1.00 0.00 C ATOM 0 H THR A 88 4.959 6.355 11.872 1.00 0.00 H new ATOM 0 HA THR A 88 3.595 5.612 14.261 1.00 0.00 H new ATOM 0 HB THR A 88 2.709 3.915 12.363 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.246 4.862 10.828 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.958 5.574 11.807 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.283 5.483 13.554 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.931 6.837 12.598 1.00 0.00 H new ATOM 1429 N PRO A 89 4.158 3.166 14.742 1.00 0.00 N ATOM 1430 CA PRO A 89 4.692 1.873 15.184 1.00 0.00 C ATOM 1431 C PRO A 89 4.445 0.764 14.166 1.00 0.00 C ATOM 1432 O PRO A 89 5.127 -0.262 14.176 1.00 0.00 O ATOM 1433 CB PRO A 89 3.922 1.592 16.476 1.00 0.00 C ATOM 1434 CG PRO A 89 2.650 2.356 16.332 1.00 0.00 C ATOM 1435 CD PRO A 89 2.994 3.588 15.542 1.00 0.00 C ATOM 0 HA PRO A 89 5.774 1.904 15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.732 0.526 16.600 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.484 1.919 17.351 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.894 1.762 15.819 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.241 2.619 17.307 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.165 3.904 14.909 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.237 4.428 16.193 1.00 0.00 H new ATOM 1443 N GLY A 90 3.468 0.973 13.289 1.00 0.00 N ATOM 1444 CA GLY A 90 3.152 -0.021 12.279 1.00 0.00 C ATOM 1445 C GLY A 90 4.351 -0.388 11.426 1.00 0.00 C ATOM 1446 O GLY A 90 4.437 -1.503 10.912 1.00 0.00 O ATOM 0 H GLY A 90 2.890 1.813 13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.768 -0.918 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.357 0.359 11.637 1.00 0.00 H new ATOM 1450 N ILE A 91 5.279 0.551 11.279 1.00 0.00 N ATOM 1451 CA ILE A 91 6.479 0.319 10.486 1.00 0.00 C ATOM 1452 C ILE A 91 7.627 -0.175 11.360 1.00 0.00 C ATOM 1453 O ILE A 91 8.018 0.487 12.321 1.00 0.00 O ATOM 1454 CB ILE A 91 6.918 1.599 9.743 1.00 0.00 C ATOM 1455 CG1 ILE A 91 5.782 2.110 8.857 1.00 0.00 C ATOM 1456 CG2 ILE A 91 8.166 1.335 8.910 1.00 0.00 C ATOM 1457 CD1 ILE A 91 5.418 1.162 7.736 1.00 0.00 C ATOM 0 H ILE A 91 5.223 1.479 11.698 1.00 0.00 H new ATOM 0 HA ILE A 91 6.233 -0.448 9.752 1.00 0.00 H new ATOM 0 HB ILE A 91 7.157 2.364 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.901 2.285 9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.069 3.071 8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.459 2.249 8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.977 1.010 9.562 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.956 0.556 8.177 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.605 1.589 7.148 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.286 1.006 7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.100 0.208 8.155 1.00 0.00 H new ATOM 1567 N ARG A 100 13.819 3.166 1.735 1.00 0.00 N ATOM 1568 CA ARG A 100 13.072 2.239 2.578 1.00 0.00 C ATOM 1569 C ARG A 100 11.806 1.748 1.875 1.00 0.00 C ATOM 1570 O ARG A 100 11.539 0.546 1.838 1.00 0.00 O ATOM 1571 CB ARG A 100 12.710 2.893 3.914 1.00 0.00 C ATOM 1572 CG ARG A 100 13.828 3.739 4.505 1.00 0.00 C ATOM 1573 CD ARG A 100 15.079 2.913 4.767 1.00 0.00 C ATOM 1574 NE ARG A 100 16.224 3.394 3.999 1.00 0.00 N ATOM 1575 CZ ARG A 100 16.790 4.585 4.178 1.00 0.00 C ATOM 1576 NH1 ARG A 100 16.320 5.419 5.098 1.00 0.00 N ATOM 1577 NH2 ARG A 100 17.830 4.942 3.438 1.00 0.00 N ATOM 0 HA ARG A 100 13.713 1.378 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.828 3.518 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.439 2.115 4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.067 4.555 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.489 4.191 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.317 2.943 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.885 1.871 4.514 1.00 0.00 H new ATOM 0 HE ARG A 100 16.613 2.781 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 100 15.521 5.148 5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.758 6.331 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.196 4.304 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.264 5.855 3.575 1.00 0.00 H new ATOM 1591 N PRO A 101 11.005 2.668 1.306 1.00 0.00 N ATOM 1592 CA PRO A 101 9.769 2.307 0.609 1.00 0.00 C ATOM 1593 C PRO A 101 10.029 1.805 -0.808 1.00 0.00 C ATOM 1594 O PRO A 101 10.927 2.293 -1.494 1.00 0.00 O ATOM 1595 CB PRO A 101 8.998 3.624 0.579 1.00 0.00 C ATOM 1596 CG PRO A 101 10.054 4.674 0.531 1.00 0.00 C ATOM 1597 CD PRO A 101 11.234 4.127 1.295 1.00 0.00 C ATOM 0 HA PRO A 101 9.238 1.493 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.343 3.680 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.368 3.735 1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.330 4.901 -0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.699 5.603 0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.176 4.380 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.278 4.532 2.306 1.00 0.00 H new ATOM 1605 N VAL A 102 9.240 0.826 -1.239 1.00 0.00 N ATOM 1606 CA VAL A 102 9.389 0.258 -2.574 1.00 0.00 C ATOM 1607 C VAL A 102 8.063 0.272 -3.333 1.00 0.00 C ATOM 1608 O VAL A 102 7.137 -0.465 -2.990 1.00 0.00 O ATOM 1609 CB VAL A 102 9.914 -1.189 -2.512 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.205 -1.716 -3.909 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.157 -1.267 -1.637 1.00 0.00 C ATOM 0 H VAL A 102 8.492 0.410 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 102 10.112 0.880 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 102 9.141 -1.816 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.575 -2.739 -3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.291 -1.698 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.958 -1.088 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.515 -2.296 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.935 -0.626 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.913 -0.935 -0.628 1.00 0.00 H new ATOM 1621 N PRO A 103 7.949 1.111 -4.379 1.00 0.00 N ATOM 1622 CA PRO A 103 6.730 1.209 -5.182 1.00 0.00 C ATOM 1623 C PRO A 103 6.611 0.072 -6.192 1.00 0.00 C ATOM 1624 O PRO A 103 7.563 -0.236 -6.908 1.00 0.00 O ATOM 1625 CB PRO A 103 6.897 2.546 -5.898 1.00 0.00 C ATOM 1626 CG PRO A 103 8.371 2.700 -6.059 1.00 0.00 C ATOM 1627 CD PRO A 103 9.000 2.030 -4.864 1.00 0.00 C ATOM 0 HA PRO A 103 5.828 1.142 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.390 2.546 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.473 3.364 -5.315 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.711 2.239 -6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.649 3.753 -6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.906 1.491 -5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.280 2.756 -4.100 1.00 0.00 H new ATOM 1635 N LEU A 104 5.438 -0.551 -6.241 1.00 0.00 N ATOM 1636 CA LEU A 104 5.199 -1.656 -7.163 1.00 0.00 C ATOM 1637 C LEU A 104 4.752 -1.143 -8.529 1.00 0.00 C ATOM 1638 O LEU A 104 4.077 -0.119 -8.628 1.00 0.00 O ATOM 1639 CB LEU A 104 4.145 -2.605 -6.592 1.00 0.00 C ATOM 1640 CG LEU A 104 4.373 -3.025 -5.137 1.00 0.00 C ATOM 1641 CD1 LEU A 104 3.445 -2.259 -4.207 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.171 -4.525 -4.977 1.00 0.00 C ATOM 0 H LEU A 104 4.639 -0.310 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 104 6.136 -2.198 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.168 -2.127 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.110 -3.501 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 104 5.402 -2.785 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.622 -2.571 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.638 -1.190 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.409 -2.466 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.337 -4.806 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.153 -4.788 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.878 -5.057 -5.614 1.00 0.00 H new ATOM 1654 N SER A 105 5.133 -1.864 -9.578 1.00 0.00 N ATOM 1655 CA SER A 105 4.772 -1.485 -10.939 1.00 0.00 C ATOM 1656 C SER A 105 3.445 -2.122 -11.346 1.00 0.00 C ATOM 1657 O SER A 105 3.016 -3.112 -10.755 1.00 0.00 O ATOM 1658 CB SER A 105 5.872 -1.902 -11.916 1.00 0.00 C ATOM 1659 OG SER A 105 5.766 -3.277 -12.248 1.00 0.00 O ATOM 0 H SER A 105 5.692 -2.715 -9.512 1.00 0.00 H new ATOM 0 HA SER A 105 4.660 -0.401 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.805 -1.300 -12.822 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.849 -1.706 -11.474 1.00 0.00 H new ATOM 0 HG SER A 105 6.480 -3.518 -12.875 1.00 0.00 H new ATOM 1665 N PRO A 106 2.773 -1.560 -12.367 1.00 0.00 N ATOM 1666 CA PRO A 106 1.489 -2.076 -12.851 1.00 0.00 C ATOM 1667 C PRO A 106 1.504 -3.589 -13.050 1.00 0.00 C ATOM 1668 O PRO A 106 0.467 -4.246 -12.963 1.00 0.00 O ATOM 1669 CB PRO A 106 1.308 -1.362 -14.188 1.00 0.00 C ATOM 1670 CG PRO A 106 2.047 -0.079 -14.032 1.00 0.00 C ATOM 1671 CD PRO A 106 3.216 -0.376 -13.130 1.00 0.00 C ATOM 0 HA PRO A 106 0.683 -1.896 -12.140 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.710 -1.953 -15.011 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.254 -1.188 -14.405 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.386 0.295 -14.998 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.406 0.689 -13.599 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.121 -0.583 -13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.439 0.464 -12.473 1.00 0.00 H new ATOM 1679 N ASP A 107 2.684 -4.136 -13.320 1.00 0.00 N ATOM 1680 CA ASP A 107 2.832 -5.571 -13.533 1.00 0.00 C ATOM 1681 C ASP A 107 2.587 -6.346 -12.242 1.00 0.00 C ATOM 1682 O ASP A 107 1.890 -7.360 -12.237 1.00 0.00 O ATOM 1683 CB ASP A 107 4.228 -5.885 -14.074 1.00 0.00 C ATOM 1684 CG ASP A 107 4.224 -7.053 -15.041 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.695 -6.893 -16.162 1.00 0.00 O ATOM 1686 OD2 ASP A 107 4.750 -8.127 -14.679 1.00 0.00 O ATOM 0 H ASP A 107 3.553 -3.607 -13.397 1.00 0.00 H new ATOM 0 HA ASP A 107 2.086 -5.881 -14.265 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.627 -5.003 -14.575 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.896 -6.108 -13.242 1.00 0.00 H new ATOM 1691 N GLU A 108 3.166 -5.861 -11.148 1.00 0.00 N ATOM 1692 CA GLU A 108 3.012 -6.510 -9.850 1.00 0.00 C ATOM 1693 C GLU A 108 1.795 -5.965 -9.109 1.00 0.00 C ATOM 1694 O GLU A 108 1.140 -6.686 -8.355 1.00 0.00 O ATOM 1695 CB GLU A 108 4.271 -6.309 -9.005 1.00 0.00 C ATOM 1696 CG GLU A 108 4.668 -7.538 -8.204 1.00 0.00 C ATOM 1697 CD GLU A 108 6.148 -7.853 -8.311 1.00 0.00 C ATOM 1698 OE1 GLU A 108 6.938 -7.268 -7.541 1.00 0.00 O ATOM 1699 OE2 GLU A 108 6.516 -8.685 -9.167 1.00 0.00 O ATOM 0 H GLU A 108 3.746 -5.022 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 108 2.862 -7.576 -10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.097 -6.029 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.110 -5.476 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.408 -7.384 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.092 -8.395 -8.552 1.00 0.00 H new ATOM 1706 N VAL A 109 1.500 -4.689 -9.328 1.00 0.00 N ATOM 1707 CA VAL A 109 0.364 -4.045 -8.681 1.00 0.00 C ATOM 1708 C VAL A 109 -0.951 -4.702 -9.086 1.00 0.00 C ATOM 1709 O VAL A 109 -1.919 -4.697 -8.327 1.00 0.00 O ATOM 1710 CB VAL A 109 0.304 -2.542 -9.023 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.805 -1.857 -8.240 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.645 -1.878 -8.747 1.00 0.00 C ATOM 0 H VAL A 109 2.032 -4.080 -9.949 1.00 0.00 H new ATOM 0 HA VAL A 109 0.505 -4.162 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 109 0.083 -2.441 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.830 -0.798 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.763 -2.314 -8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.618 -1.968 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.584 -0.818 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.897 -1.991 -7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.416 -2.349 -9.357 1.00 0.00 H new ATOM 1722 N ARG A 110 -0.983 -5.268 -10.288 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.185 -5.927 -10.785 1.00 0.00 C ATOM 1724 C ARG A 110 -2.461 -7.213 -10.011 1.00 0.00 C ATOM 1725 O ARG A 110 -3.610 -7.635 -9.881 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.046 -6.231 -12.278 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.197 -5.701 -13.119 1.00 0.00 C ATOM 1728 CD ARG A 110 -2.722 -5.231 -14.483 1.00 0.00 C ATOM 1729 NE ARG A 110 -2.521 -6.344 -15.408 1.00 0.00 N ATOM 1730 CZ ARG A 110 -1.786 -6.265 -16.516 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -1.183 -5.128 -16.840 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -1.655 -7.325 -17.302 1.00 0.00 N ATOM 0 H ARG A 110 -0.194 -5.284 -10.934 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.027 -5.251 -10.638 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.113 -5.801 -12.642 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.974 -7.310 -12.415 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.947 -6.482 -13.243 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.680 -4.875 -12.597 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.452 -4.539 -14.902 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.788 -4.680 -14.371 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.970 -7.234 -15.193 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.281 -4.309 -16.239 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.621 -5.073 -17.690 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.117 -8.201 -17.058 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.092 -7.264 -18.150 1.00 0.00 H new ATOM 1746 N HIS A 111 -1.402 -7.829 -9.495 1.00 0.00 N ATOM 1747 CA HIS A 111 -1.535 -9.064 -8.733 1.00 0.00 C ATOM 1748 C HIS A 111 -2.146 -8.791 -7.364 1.00 0.00 C ATOM 1749 O HIS A 111 -3.120 -9.431 -6.969 1.00 0.00 O ATOM 1750 CB HIS A 111 -0.172 -9.743 -8.577 1.00 0.00 C ATOM 1751 CG HIS A 111 -0.094 -11.087 -9.231 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -0.850 -11.435 -10.330 1.00 0.00 N ATOM 1753 CD2 HIS A 111 0.658 -12.175 -8.936 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -0.567 -12.677 -10.682 1.00 0.00 C ATOM 1755 NE2 HIS A 111 0.345 -13.147 -9.853 1.00 0.00 N ATOM 0 H HIS A 111 -0.444 -7.493 -9.591 1.00 0.00 H new ATOM 0 HA HIS A 111 -2.200 -9.732 -9.280 1.00 0.00 H new ATOM 0 HB2 HIS A 111 0.597 -9.097 -9.000 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.051 -9.851 -7.516 1.00 0.00 H new ATOM 0 HD2 HIS A 111 1.371 -12.261 -8.129 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.008 -13.216 -11.508 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.752 -14.082 -9.888 1.00 0.00 H new ATOM 1764 N ILE A 112 -1.570 -7.834 -6.643 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.067 -7.476 -5.321 1.00 0.00 C ATOM 1766 C ILE A 112 -3.443 -6.815 -5.410 1.00 0.00 C ATOM 1767 O ILE A 112 -4.136 -6.672 -4.404 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.096 -6.530 -4.586 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -0.797 -5.297 -5.441 1.00 0.00 C ATOM 1770 CG2 ILE A 112 0.190 -7.263 -4.232 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -1.420 -4.028 -4.905 1.00 0.00 C ATOM 0 H ILE A 112 -0.761 -7.295 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.149 -8.403 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.569 -6.197 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.283 -5.163 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.159 -5.471 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.866 -6.583 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.040 -8.109 -3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.667 -7.623 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.167 -3.194 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.503 -4.143 -4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.039 -3.831 -3.903 1.00 0.00 H new ATOM 1783 N LEU A 113 -3.830 -6.417 -6.620 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.123 -5.778 -6.839 1.00 0.00 C ATOM 1785 C LEU A 113 -6.225 -6.822 -6.999 1.00 0.00 C ATOM 1786 O LEU A 113 -7.331 -6.655 -6.485 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.066 -4.889 -8.088 1.00 0.00 C ATOM 1788 CG LEU A 113 -5.343 -3.404 -7.844 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.121 -2.566 -8.186 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -6.547 -2.944 -8.653 1.00 0.00 C ATOM 0 H LEU A 113 -3.266 -6.526 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.351 -5.164 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.079 -4.989 -8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.789 -5.263 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.566 -3.269 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.339 -1.513 -8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.282 -2.875 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.864 -2.708 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.728 -1.886 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.352 -3.097 -9.714 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.425 -3.520 -8.359 1.00 0.00 H new ATOM 1802 N GLU A 114 -5.916 -7.895 -7.722 1.00 0.00 N ATOM 1803 CA GLU A 114 -6.883 -8.962 -7.959 1.00 0.00 C ATOM 1804 C GLU A 114 -7.143 -9.762 -6.688 1.00 0.00 C ATOM 1805 O GLU A 114 -8.280 -10.139 -6.402 1.00 0.00 O ATOM 1806 CB GLU A 114 -6.385 -9.892 -9.066 1.00 0.00 C ATOM 1807 CG GLU A 114 -7.483 -10.738 -9.688 1.00 0.00 C ATOM 1808 CD GLU A 114 -7.524 -12.147 -9.126 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -7.017 -12.353 -8.004 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.064 -13.042 -9.809 1.00 0.00 O ATOM 0 H GLU A 114 -5.005 -8.048 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.820 -8.501 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.912 -9.295 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.617 -10.550 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.446 -10.256 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.333 -10.785 -10.767 1.00 0.00 H new ATOM 1817 N VAL A 115 -6.085 -10.023 -5.932 1.00 0.00 N ATOM 1818 CA VAL A 115 -6.201 -10.784 -4.693 1.00 0.00 C ATOM 1819 C VAL A 115 -6.892 -9.967 -3.607 1.00 0.00 C ATOM 1820 O VAL A 115 -7.769 -10.469 -2.904 1.00 0.00 O ATOM 1821 CB VAL A 115 -4.822 -11.239 -4.177 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -4.983 -12.306 -3.104 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -3.957 -11.749 -5.323 1.00 0.00 C ATOM 0 H VAL A 115 -5.137 -9.720 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.802 -11.664 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.319 -10.379 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.000 -12.617 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.557 -11.901 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.507 -13.166 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.988 -12.065 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.449 -12.595 -5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.813 -10.952 -6.053 1.00 0.00 H new ATOM 1833 N SER A 116 -6.489 -8.709 -3.473 1.00 0.00 N ATOM 1834 CA SER A 116 -7.069 -7.822 -2.470 1.00 0.00 C ATOM 1835 C SER A 116 -8.584 -7.728 -2.631 1.00 0.00 C ATOM 1836 O SER A 116 -9.338 -8.109 -1.737 1.00 0.00 O ATOM 1837 CB SER A 116 -6.452 -6.429 -2.577 1.00 0.00 C ATOM 1838 OG SER A 116 -6.461 -5.968 -3.918 1.00 0.00 O ATOM 0 H SER A 116 -5.763 -8.279 -4.046 1.00 0.00 H new ATOM 0 HA SER A 116 -6.851 -8.239 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.006 -5.733 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.428 -6.452 -2.204 1.00 0.00 H new ATOM 0 HG SER A 116 -5.720 -6.379 -4.410 1.00 0.00 H new ATOM 1844 N GLY A 117 -9.020 -7.219 -3.778 1.00 0.00 N ATOM 1845 CA GLY A 117 -10.441 -7.085 -4.038 1.00 0.00 C ATOM 1846 C GLY A 117 -10.779 -5.806 -4.783 1.00 0.00 C ATOM 1847 O GLY A 117 -11.758 -5.135 -4.462 1.00 0.00 O ATOM 0 H GLY A 117 -8.414 -6.897 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.783 -7.941 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -10.983 -7.105 -3.093 1.00 0.00 H new ATOM 1851 N LEU A 118 -9.967 -5.471 -5.781 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.190 -4.267 -6.574 1.00 0.00 C ATOM 1853 C LEU A 118 -10.607 -4.629 -7.995 1.00 0.00 C ATOM 1854 O LEU A 118 -11.430 -3.945 -8.605 1.00 0.00 O ATOM 1855 CB LEU A 118 -8.923 -3.406 -6.608 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.530 -2.758 -5.276 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.461 -1.700 -5.497 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.746 -2.152 -4.591 1.00 0.00 C ATOM 0 H LEU A 118 -9.150 -6.015 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.993 -3.697 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.093 -4.025 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.060 -2.618 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.124 -3.532 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.193 -1.249 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.579 -2.161 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.844 -0.930 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.443 -1.698 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.185 -1.391 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.482 -2.933 -4.398 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.036 -5.710 -8.516 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.347 -6.168 -9.865 1.00 0.00 C ATOM 1872 C LEU A 119 -11.378 -7.291 -9.831 1.00 0.00 C ATOM 1873 O LEU A 119 -12.217 -7.406 -10.725 1.00 0.00 O ATOM 1874 CB LEU A 119 -9.076 -6.645 -10.570 1.00 0.00 C ATOM 1875 CG LEU A 119 -9.031 -6.381 -12.076 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -10.132 -7.154 -12.786 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.156 -4.892 -12.359 1.00 0.00 C ATOM 0 H LEU A 119 -9.354 -6.286 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.767 -5.330 -10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.218 -6.159 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.966 -7.716 -10.401 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.070 -6.724 -12.458 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.085 -6.954 -13.856 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.999 -8.221 -12.610 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.103 -6.841 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.122 -4.722 -13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.103 -4.525 -11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.333 -4.361 -11.882 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.305 -8.121 -8.795 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.237 -9.224 -8.663 1.00 0.00 C ATOM 1891 C GLY A 120 -12.750 -9.384 -7.246 1.00 0.00 C ATOM 1892 O GLY A 120 -13.575 -8.551 -6.815 1.00 0.00 O ATOM 1893 OXT GLY A 120 -12.327 -10.341 -6.564 1.00 0.00 O ATOM 0 H GLY A 120 -10.617 -8.049 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.080 -9.065 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -11.749 -10.147 -8.976 1.00 0.00 H new