USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=11 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 37 GLN : amide:sc= -0.322 X(o=-5.4,f=-5) USER MOD Set 1.2: A 69 GLN : amide:sc= -5.09 K(o=-5.4,f=-9.3!) USER MOD Set 2.1: A 9 HIS : no HD1:sc= -5.32! C(o=-5.3!,f=-6!) USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.27 USER MOD Single : A 10 THR OG1 : rot -70:sc= -1 USER MOD Single : A 14 GLN : amide:sc= -0.897 K(o=-0.9,f=-4.9!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.123) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 0.842 (180deg=-0.0139) USER MOD Single : A 21 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.87) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.534 (180deg=-1.11!) USER MOD Single : A 32 GLN : amide:sc= -0.69 K(o=-0.69,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -45:sc= -2.89! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -147:sc= -1.95 (180deg=-6.55!) USER MOD Single : A 79 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.0042) USER MOD Single : A 88 THR OG1 : rot -81:sc= 1.05 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=-0.19) USER MOD Single : A 116 SER OG : rot 180:sc= -2.39! USER MOD ----------------------------------------------------------------- ATOM 14 N ILE A 3 -0.108 8.192 -9.256 1.00 0.00 N ATOM 15 CA ILE A 3 0.419 7.804 -7.953 1.00 0.00 C ATOM 16 C ILE A 3 1.168 6.475 -8.043 1.00 0.00 C ATOM 17 O ILE A 3 1.503 6.020 -9.138 1.00 0.00 O ATOM 18 CB ILE A 3 -0.704 7.714 -6.897 1.00 0.00 C ATOM 19 CG1 ILE A 3 -1.548 6.451 -7.090 1.00 0.00 C ATOM 20 CG2 ILE A 3 -1.588 8.950 -6.964 1.00 0.00 C ATOM 21 CD1 ILE A 3 -2.271 6.403 -8.418 1.00 0.00 C ATOM 0 HA ILE A 3 1.119 8.578 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.237 7.661 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.903 5.577 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.280 6.387 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.376 8.875 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.987 9.838 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.036 9.024 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.848 5.481 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.942 7.258 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.544 6.435 -9.229 1.00 0.00 H new ATOM 33 N GLU A 4 1.438 5.853 -6.896 1.00 0.00 N ATOM 34 CA GLU A 4 2.158 4.584 -6.885 1.00 0.00 C ATOM 35 C GLU A 4 1.875 3.769 -5.622 1.00 0.00 C ATOM 36 O GLU A 4 1.618 4.322 -4.549 1.00 0.00 O ATOM 37 CB GLU A 4 3.662 4.830 -7.012 1.00 0.00 C ATOM 38 CG GLU A 4 4.411 3.693 -7.689 1.00 0.00 C ATOM 39 CD GLU A 4 5.047 4.110 -8.999 1.00 0.00 C ATOM 40 OE1 GLU A 4 4.310 4.556 -9.903 1.00 0.00 O ATOM 41 OE2 GLU A 4 6.285 3.990 -9.124 1.00 0.00 O ATOM 0 H GLU A 4 1.173 6.202 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 4 1.804 4.006 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.825 5.748 -7.577 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.081 4.989 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.184 3.322 -7.016 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.723 2.867 -7.871 1.00 0.00 H new ATOM 48 N TRP A 5 1.943 2.447 -5.771 1.00 0.00 N ATOM 49 CA TRP A 5 1.713 1.526 -4.662 1.00 0.00 C ATOM 50 C TRP A 5 3.003 1.301 -3.880 1.00 0.00 C ATOM 51 O TRP A 5 3.793 0.418 -4.215 1.00 0.00 O ATOM 52 CB TRP A 5 1.206 0.177 -5.182 1.00 0.00 C ATOM 53 CG TRP A 5 -0.249 0.158 -5.548 1.00 0.00 C ATOM 54 CD1 TRP A 5 -0.788 0.401 -6.778 1.00 0.00 C ATOM 55 CD2 TRP A 5 -1.348 -0.143 -4.681 1.00 0.00 C ATOM 56 NE1 TRP A 5 -2.153 0.267 -6.730 1.00 0.00 N ATOM 57 CE2 TRP A 5 -2.523 -0.064 -5.454 1.00 0.00 C ATOM 58 CE3 TRP A 5 -1.456 -0.471 -3.328 1.00 0.00 C ATOM 59 CZ2 TRP A 5 -3.785 -0.303 -4.916 1.00 0.00 C ATOM 60 CZ3 TRP A 5 -2.710 -0.705 -2.796 1.00 0.00 C ATOM 61 CH2 TRP A 5 -3.859 -0.621 -3.589 1.00 0.00 C ATOM 0 H TRP A 5 2.157 1.988 -6.656 1.00 0.00 H new ATOM 0 HA TRP A 5 0.962 1.969 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 5 1.792 -0.104 -6.057 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.386 -0.582 -4.421 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -0.223 0.661 -7.661 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.789 0.394 -7.517 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.575 -0.541 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.674 -0.239 -5.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -2.804 -0.957 -1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -4.824 -0.811 -3.144 1.00 0.00 H new ATOM 72 N TYR A 6 3.215 2.097 -2.839 1.00 0.00 N ATOM 73 CA TYR A 6 4.415 1.967 -2.023 1.00 0.00 C ATOM 74 C TYR A 6 4.235 0.890 -0.961 1.00 0.00 C ATOM 75 O TYR A 6 3.406 1.021 -0.061 1.00 0.00 O ATOM 76 CB TYR A 6 4.762 3.304 -1.371 1.00 0.00 C ATOM 77 CG TYR A 6 5.497 4.243 -2.298 1.00 0.00 C ATOM 78 CD1 TYR A 6 4.804 5.132 -3.109 1.00 0.00 C ATOM 79 CD2 TYR A 6 6.885 4.235 -2.367 1.00 0.00 C ATOM 80 CE1 TYR A 6 5.473 5.988 -3.961 1.00 0.00 C ATOM 81 CE2 TYR A 6 7.560 5.089 -3.219 1.00 0.00 C ATOM 82 CZ TYR A 6 6.850 5.963 -4.013 1.00 0.00 C ATOM 83 OH TYR A 6 7.520 6.814 -4.861 1.00 0.00 O ATOM 0 H TYR A 6 2.576 2.834 -2.542 1.00 0.00 H new ATOM 0 HA TYR A 6 5.238 1.670 -2.673 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.845 3.784 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.374 3.122 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.725 5.154 -3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.445 3.551 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.919 6.675 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.639 5.071 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 6 8.485 6.669 -4.774 1.00 0.00 H new ATOM 93 N ALA A 7 5.014 -0.182 -1.078 1.00 0.00 N ATOM 94 CA ALA A 7 4.936 -1.290 -0.137 1.00 0.00 C ATOM 95 C ALA A 7 5.891 -1.097 1.037 1.00 0.00 C ATOM 96 O ALA A 7 6.904 -0.407 0.920 1.00 0.00 O ATOM 97 CB ALA A 7 5.229 -2.603 -0.845 1.00 0.00 C ATOM 0 H ALA A 7 5.706 -0.305 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 7 3.922 -1.318 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.167 -3.423 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.499 -2.759 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.231 -2.570 -1.274 1.00 0.00 H new ATOM 103 N VAL A 8 5.559 -1.717 2.163 1.00 0.00 N ATOM 104 CA VAL A 8 6.381 -1.627 3.364 1.00 0.00 C ATOM 105 C VAL A 8 6.404 -2.960 4.102 1.00 0.00 C ATOM 106 O VAL A 8 5.778 -3.929 3.669 1.00 0.00 O ATOM 107 CB VAL A 8 5.866 -0.533 4.318 1.00 0.00 C ATOM 108 CG1 VAL A 8 6.138 0.849 3.743 1.00 0.00 C ATOM 109 CG2 VAL A 8 4.383 -0.720 4.598 1.00 0.00 C ATOM 0 H VAL A 8 4.722 -2.290 2.270 1.00 0.00 H new ATOM 0 HA VAL A 8 7.390 -1.368 3.044 1.00 0.00 H new ATOM 0 HB VAL A 8 6.403 -0.620 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.767 1.609 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.211 0.980 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.631 0.950 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.039 0.063 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.826 -0.663 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.220 -1.694 5.058 1.00 0.00 H new ATOM 119 N HIS A 9 7.124 -3.007 5.217 1.00 0.00 N ATOM 120 CA HIS A 9 7.222 -4.228 6.008 1.00 0.00 C ATOM 121 C HIS A 9 6.947 -3.949 7.481 1.00 0.00 C ATOM 122 O HIS A 9 7.218 -2.855 7.979 1.00 0.00 O ATOM 123 CB HIS A 9 8.608 -4.855 5.847 1.00 0.00 C ATOM 124 CG HIS A 9 8.843 -5.443 4.490 1.00 0.00 C ATOM 125 ND1 HIS A 9 9.239 -6.750 4.295 1.00 0.00 N ATOM 126 CD2 HIS A 9 8.735 -4.896 3.255 1.00 0.00 C ATOM 127 CE1 HIS A 9 9.365 -6.981 3.001 1.00 0.00 C ATOM 128 NE2 HIS A 9 9.066 -5.873 2.348 1.00 0.00 N ATOM 0 H HIS A 9 7.647 -2.216 5.593 1.00 0.00 H new ATOM 0 HA HIS A 9 6.469 -4.926 5.643 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.366 -4.097 6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.735 -5.634 6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.443 -3.882 3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.662 -7.918 2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.079 -5.761 1.334 1.00 0.00 H new ATOM 137 N THR A 10 6.404 -4.945 8.174 1.00 0.00 N ATOM 138 CA THR A 10 6.090 -4.808 9.592 1.00 0.00 C ATOM 139 C THR A 10 6.291 -6.131 10.324 1.00 0.00 C ATOM 140 O THR A 10 6.777 -7.104 9.747 1.00 0.00 O ATOM 141 CB THR A 10 4.651 -4.327 9.771 1.00 0.00 C ATOM 142 OG1 THR A 10 3.733 -5.307 9.319 1.00 0.00 O ATOM 143 CG2 THR A 10 4.351 -3.042 9.028 1.00 0.00 C ATOM 0 H THR A 10 6.172 -5.855 7.777 1.00 0.00 H new ATOM 0 HA THR A 10 6.769 -4.070 10.020 1.00 0.00 H new ATOM 0 HB THR A 10 4.540 -4.145 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.778 -5.372 8.342 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.313 -2.757 9.198 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.008 -2.251 9.389 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.516 -3.192 7.961 1.00 0.00 H new ATOM 151 N LEU A 11 5.914 -6.160 11.598 1.00 0.00 N ATOM 152 CA LEU A 11 6.052 -7.363 12.411 1.00 0.00 C ATOM 153 C LEU A 11 4.800 -8.229 12.314 1.00 0.00 C ATOM 154 O LEU A 11 3.695 -7.722 12.124 1.00 0.00 O ATOM 155 CB LEU A 11 6.318 -6.992 13.871 1.00 0.00 C ATOM 156 CG LEU A 11 6.865 -8.128 14.738 1.00 0.00 C ATOM 157 CD1 LEU A 11 8.235 -7.769 15.295 1.00 0.00 C ATOM 158 CD2 LEU A 11 5.899 -8.452 15.870 1.00 0.00 C ATOM 0 H LEU A 11 5.510 -5.363 12.090 1.00 0.00 H new ATOM 0 HA LEU A 11 6.899 -7.934 12.030 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.025 -6.163 13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.389 -6.632 14.314 1.00 0.00 H new ATOM 0 HG LEU A 11 6.971 -9.013 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.605 -8.591 15.908 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.927 -7.590 14.472 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.156 -6.869 15.904 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.306 -9.262 16.475 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.759 -7.569 16.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.939 -8.757 15.453 1.00 0.00 H new ATOM 170 N VAL A 12 4.981 -9.539 12.448 1.00 0.00 N ATOM 171 CA VAL A 12 3.866 -10.477 12.376 1.00 0.00 C ATOM 172 C VAL A 12 2.980 -10.374 13.615 1.00 0.00 C ATOM 173 O VAL A 12 3.456 -10.511 14.741 1.00 0.00 O ATOM 174 CB VAL A 12 4.362 -11.929 12.224 1.00 0.00 C ATOM 175 CG1 VAL A 12 5.195 -12.342 13.429 1.00 0.00 C ATOM 176 CG2 VAL A 12 3.188 -12.878 12.027 1.00 0.00 C ATOM 0 H VAL A 12 5.889 -9.975 12.607 1.00 0.00 H new ATOM 0 HA VAL A 12 3.282 -10.210 11.495 1.00 0.00 H new ATOM 0 HB VAL A 12 4.996 -11.984 11.339 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.535 -13.370 13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.058 -11.683 13.518 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.589 -12.270 14.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.558 -13.898 11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.525 -12.820 12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.639 -12.596 11.128 1.00 0.00 H new ATOM 186 N GLY A 13 1.692 -10.133 13.396 1.00 0.00 N ATOM 187 CA GLY A 13 0.763 -10.016 14.505 1.00 0.00 C ATOM 188 C GLY A 13 0.532 -8.577 14.923 1.00 0.00 C ATOM 189 O GLY A 13 -0.506 -8.249 15.496 1.00 0.00 O ATOM 0 H GLY A 13 1.275 -10.017 12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.189 -10.467 14.225 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.145 -10.581 15.355 1.00 0.00 H new ATOM 193 N GLN A 14 1.503 -7.715 14.637 1.00 0.00 N ATOM 194 CA GLN A 14 1.400 -6.304 14.992 1.00 0.00 C ATOM 195 C GLN A 14 0.876 -5.479 13.818 1.00 0.00 C ATOM 196 O GLN A 14 0.335 -4.390 14.007 1.00 0.00 O ATOM 197 CB GLN A 14 2.761 -5.768 15.438 1.00 0.00 C ATOM 198 CG GLN A 14 2.672 -4.719 16.533 1.00 0.00 C ATOM 199 CD GLN A 14 2.276 -5.308 17.874 1.00 0.00 C ATOM 200 OE1 GLN A 14 1.476 -6.240 17.942 1.00 0.00 O ATOM 201 NE2 GLN A 14 2.836 -4.763 18.947 1.00 0.00 N ATOM 0 H GLN A 14 2.369 -7.969 14.161 1.00 0.00 H new ATOM 0 HA GLN A 14 0.693 -6.216 15.817 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.371 -6.599 15.791 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.273 -5.340 14.577 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.635 -4.218 16.630 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.945 -3.959 16.245 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.495 -3.991 18.842 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.608 -5.116 19.876 1.00 0.00 H new ATOM 210 N GLU A 15 1.042 -6.001 12.605 1.00 0.00 N ATOM 211 CA GLU A 15 0.587 -5.309 11.405 1.00 0.00 C ATOM 212 C GLU A 15 -0.893 -4.952 11.504 1.00 0.00 C ATOM 213 O GLU A 15 -1.324 -3.905 11.021 1.00 0.00 O ATOM 214 CB GLU A 15 0.832 -6.175 10.168 1.00 0.00 C ATOM 215 CG GLU A 15 0.116 -7.516 10.211 1.00 0.00 C ATOM 216 CD GLU A 15 0.990 -8.659 9.734 1.00 0.00 C ATOM 217 OE1 GLU A 15 1.628 -8.515 8.670 1.00 0.00 O ATOM 218 OE2 GLU A 15 1.036 -9.699 10.422 1.00 0.00 O ATOM 0 H GLU A 15 1.488 -6.901 12.429 1.00 0.00 H new ATOM 0 HA GLU A 15 1.157 -4.385 11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.508 -5.628 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.903 -6.348 10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.212 -7.716 11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.780 -7.466 9.592 1.00 0.00 H new ATOM 225 N GLU A 16 -1.668 -5.830 12.135 1.00 0.00 N ATOM 226 CA GLU A 16 -3.100 -5.607 12.297 1.00 0.00 C ATOM 227 C GLU A 16 -3.368 -4.312 13.061 1.00 0.00 C ATOM 228 O GLU A 16 -4.381 -3.649 12.842 1.00 0.00 O ATOM 229 CB GLU A 16 -3.741 -6.788 13.030 1.00 0.00 C ATOM 230 CG GLU A 16 -5.017 -7.290 12.374 1.00 0.00 C ATOM 231 CD GLU A 16 -4.820 -7.651 10.914 1.00 0.00 C ATOM 232 OE1 GLU A 16 -3.711 -8.103 10.560 1.00 0.00 O ATOM 233 OE2 GLU A 16 -5.774 -7.482 10.127 1.00 0.00 O ATOM 0 H GLU A 16 -1.328 -6.701 12.542 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.543 -5.520 11.305 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.023 -7.606 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.962 -6.492 14.056 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.379 -8.164 12.915 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.788 -6.524 12.454 1.00 0.00 H new ATOM 240 N LYS A 17 -2.452 -3.961 13.958 1.00 0.00 N ATOM 241 CA LYS A 17 -2.588 -2.746 14.754 1.00 0.00 C ATOM 242 C LYS A 17 -1.942 -1.557 14.050 1.00 0.00 C ATOM 243 O LYS A 17 -2.360 -0.413 14.234 1.00 0.00 O ATOM 244 CB LYS A 17 -1.960 -2.944 16.135 1.00 0.00 C ATOM 245 CG LYS A 17 -2.788 -2.361 17.270 1.00 0.00 C ATOM 246 CD LYS A 17 -3.590 -3.438 17.987 1.00 0.00 C ATOM 247 CE LYS A 17 -5.070 -3.098 18.029 1.00 0.00 C ATOM 248 NZ LYS A 17 -5.760 -3.457 16.760 1.00 0.00 N ATOM 0 H LYS A 17 -1.608 -4.500 14.152 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.651 -2.537 14.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.818 -4.010 16.311 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.971 -2.485 16.145 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.131 -1.861 17.982 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.465 -1.604 16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.450 -4.394 17.482 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.214 -3.556 19.003 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.540 -3.625 18.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.192 -2.032 18.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.789 -3.401 16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.474 -2.795 16.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.499 -4.425 16.485 1.00 0.00 H new ATOM 262 N ALA A 18 -0.921 -1.833 13.246 1.00 0.00 N ATOM 263 CA ALA A 18 -0.217 -0.784 12.517 1.00 0.00 C ATOM 264 C ALA A 18 -1.111 -0.164 11.447 1.00 0.00 C ATOM 265 O ALA A 18 -1.124 1.052 11.264 1.00 0.00 O ATOM 266 CB ALA A 18 1.053 -1.339 11.890 1.00 0.00 C ATOM 0 H ALA A 18 -0.562 -2.774 13.083 1.00 0.00 H new ATOM 0 HA ALA A 18 0.053 -0.001 13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.569 -0.545 11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.705 -1.728 12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.797 -2.142 11.199 1.00 0.00 H new ATOM 272 N LYS A 19 -1.855 -1.010 10.742 1.00 0.00 N ATOM 273 CA LYS A 19 -2.753 -0.545 9.691 1.00 0.00 C ATOM 274 C LYS A 19 -3.796 0.416 10.250 1.00 0.00 C ATOM 275 O LYS A 19 -4.157 1.399 9.604 1.00 0.00 O ATOM 276 CB LYS A 19 -3.444 -1.733 9.020 1.00 0.00 C ATOM 277 CG LYS A 19 -3.979 -1.420 7.631 1.00 0.00 C ATOM 278 CD LYS A 19 -5.473 -1.139 7.660 1.00 0.00 C ATOM 279 CE LYS A 19 -5.901 -0.278 6.483 1.00 0.00 C ATOM 280 NZ LYS A 19 -7.359 -0.399 6.206 1.00 0.00 N ATOM 0 H LYS A 19 -1.854 -2.021 10.879 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.158 -0.013 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.739 -2.561 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.268 -2.068 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.453 -0.557 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.778 -2.259 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.022 -2.081 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.732 -0.637 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.656 0.764 6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.338 -0.570 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.503 -0.956 5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.826 -0.874 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.768 0.549 6.080 1.00 0.00 H new ATOM 294 N ALA A 20 -4.276 0.124 11.454 1.00 0.00 N ATOM 295 CA ALA A 20 -5.280 0.961 12.100 1.00 0.00 C ATOM 296 C ALA A 20 -4.652 2.226 12.678 1.00 0.00 C ATOM 297 O ALA A 20 -5.182 3.323 12.515 1.00 0.00 O ATOM 298 CB ALA A 20 -5.996 0.180 13.191 1.00 0.00 C ATOM 0 H ALA A 20 -3.986 -0.686 12.002 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.007 1.260 11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.743 0.817 13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.486 -0.690 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.273 -0.148 13.938 1.00 0.00 H new ATOM 304 N ASN A 21 -3.517 2.064 13.352 1.00 0.00 N ATOM 305 CA ASN A 21 -2.818 3.194 13.952 1.00 0.00 C ATOM 306 C ASN A 21 -2.404 4.203 12.887 1.00 0.00 C ATOM 307 O ASN A 21 -2.410 5.412 13.126 1.00 0.00 O ATOM 308 CB ASN A 21 -1.586 2.708 14.719 1.00 0.00 C ATOM 309 CG ASN A 21 -1.864 2.510 16.195 1.00 0.00 C ATOM 310 OD1 ASN A 21 -2.581 3.295 16.815 1.00 0.00 O ATOM 311 ND2 ASN A 21 -1.295 1.456 16.768 1.00 0.00 N ATOM 0 H ASN A 21 -3.063 1.162 13.496 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.499 3.685 14.647 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.241 1.768 14.288 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.778 3.430 14.598 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.445 1.272 17.760 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.708 0.831 16.216 1.00 0.00 H new ATOM 318 N LEU A 22 -2.048 3.700 11.711 1.00 0.00 N ATOM 319 CA LEU A 22 -1.634 4.557 10.607 1.00 0.00 C ATOM 320 C LEU A 22 -2.833 5.276 9.997 1.00 0.00 C ATOM 321 O LEU A 22 -2.873 6.505 9.948 1.00 0.00 O ATOM 322 CB LEU A 22 -0.919 3.733 9.535 1.00 0.00 C ATOM 323 CG LEU A 22 -0.492 4.515 8.291 1.00 0.00 C ATOM 324 CD1 LEU A 22 0.531 5.580 8.655 1.00 0.00 C ATOM 325 CD2 LEU A 22 0.069 3.573 7.236 1.00 0.00 C ATOM 0 H LEU A 22 -2.038 2.703 11.497 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.946 5.306 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.034 3.277 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.576 2.920 9.226 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.370 5.010 7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.823 6.126 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.095 6.272 9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.409 5.106 9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.368 4.146 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.936 3.049 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.694 2.848 6.953 1.00 0.00 H new ATOM 337 N GLU A 23 -3.810 4.501 9.534 1.00 0.00 N ATOM 338 CA GLU A 23 -5.014 5.063 8.928 1.00 0.00 C ATOM 339 C GLU A 23 -5.644 6.120 9.831 1.00 0.00 C ATOM 340 O GLU A 23 -6.277 7.062 9.354 1.00 0.00 O ATOM 341 CB GLU A 23 -6.026 3.954 8.634 1.00 0.00 C ATOM 342 CG GLU A 23 -6.154 3.624 7.155 1.00 0.00 C ATOM 343 CD GLU A 23 -7.592 3.397 6.731 1.00 0.00 C ATOM 344 OE1 GLU A 23 -8.469 4.177 7.161 1.00 0.00 O ATOM 345 OE2 GLU A 23 -7.842 2.440 5.967 1.00 0.00 O ATOM 0 H GLU A 23 -3.792 3.482 9.567 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.727 5.542 7.992 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.734 3.054 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.002 4.253 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.730 4.438 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.569 2.732 6.934 1.00 0.00 H new ATOM 352 N LYS A 24 -5.463 5.960 11.138 1.00 0.00 N ATOM 353 CA LYS A 24 -6.014 6.901 12.106 1.00 0.00 C ATOM 354 C LYS A 24 -5.273 8.233 12.047 1.00 0.00 C ATOM 355 O LYS A 24 -5.887 9.299 12.104 1.00 0.00 O ATOM 356 CB LYS A 24 -5.932 6.318 13.520 1.00 0.00 C ATOM 357 CG LYS A 24 -7.272 6.265 14.236 1.00 0.00 C ATOM 358 CD LYS A 24 -7.457 7.454 15.166 1.00 0.00 C ATOM 359 CE LYS A 24 -8.548 8.391 14.671 1.00 0.00 C ATOM 360 NZ LYS A 24 -9.796 8.264 15.472 1.00 0.00 N ATOM 0 H LYS A 24 -4.939 5.188 11.551 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.060 7.075 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.519 5.311 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.238 6.916 14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.077 6.248 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.343 5.340 14.808 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.708 7.099 16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.518 8.001 15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.191 9.420 14.717 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.765 8.175 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.514 8.919 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.152 7.289 15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.596 8.495 16.466 1.00 0.00 H new ATOM 374 N ARG A 25 -3.951 8.164 11.930 1.00 0.00 N ATOM 375 CA ARG A 25 -3.125 9.365 11.862 1.00 0.00 C ATOM 376 C ARG A 25 -3.330 10.092 10.537 1.00 0.00 C ATOM 377 O ARG A 25 -3.328 11.323 10.485 1.00 0.00 O ATOM 378 CB ARG A 25 -1.649 9.004 12.039 1.00 0.00 C ATOM 379 CG ARG A 25 -1.116 9.294 13.433 1.00 0.00 C ATOM 380 CD ARG A 25 -1.044 8.032 14.278 1.00 0.00 C ATOM 381 NE ARG A 25 -1.084 8.327 15.708 1.00 0.00 N ATOM 382 CZ ARG A 25 -0.845 7.426 16.658 1.00 0.00 C ATOM 383 NH1 ARG A 25 -0.547 6.174 16.334 1.00 0.00 N ATOM 384 NH2 ARG A 25 -0.903 7.778 17.934 1.00 0.00 N ATOM 0 H ARG A 25 -3.428 7.289 11.880 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.427 10.031 12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.514 7.945 11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.058 9.558 11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.124 9.740 13.359 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.758 10.025 13.924 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.875 7.375 14.020 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.126 7.492 14.045 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.308 9.280 15.995 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.500 5.898 15.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.365 5.487 17.066 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.131 8.739 18.188 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.720 7.088 18.662 1.00 0.00 H new ATOM 398 N ILE A 26 -3.505 9.324 9.466 1.00 0.00 N ATOM 399 CA ILE A 26 -3.709 9.894 8.141 1.00 0.00 C ATOM 400 C ILE A 26 -5.115 10.471 7.999 1.00 0.00 C ATOM 401 O ILE A 26 -5.333 11.420 7.243 1.00 0.00 O ATOM 402 CB ILE A 26 -3.483 8.844 7.037 1.00 0.00 C ATOM 403 CG1 ILE A 26 -2.144 8.133 7.247 1.00 0.00 C ATOM 404 CG2 ILE A 26 -3.534 9.493 5.660 1.00 0.00 C ATOM 405 CD1 ILE A 26 -0.947 9.052 7.126 1.00 0.00 C ATOM 0 H ILE A 26 -3.509 8.304 9.491 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.978 10.695 8.026 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.282 8.104 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.138 7.670 8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.050 7.329 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.372 8.735 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.510 9.956 5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.757 10.254 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.032 8.481 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.928 9.496 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.018 9.842 7.874 1.00 0.00 H new ATOM 417 N LYS A 27 -6.065 9.894 8.725 1.00 0.00 N ATOM 418 CA LYS A 27 -7.449 10.352 8.675 1.00 0.00 C ATOM 419 C LYS A 27 -7.716 11.416 9.735 1.00 0.00 C ATOM 420 O LYS A 27 -8.471 12.360 9.505 1.00 0.00 O ATOM 421 CB LYS A 27 -8.406 9.175 8.866 1.00 0.00 C ATOM 422 CG LYS A 27 -9.744 9.361 8.172 1.00 0.00 C ATOM 423 CD LYS A 27 -10.280 8.044 7.632 1.00 0.00 C ATOM 424 CE LYS A 27 -9.683 7.716 6.273 1.00 0.00 C ATOM 425 NZ LYS A 27 -8.360 7.043 6.393 1.00 0.00 N ATOM 0 H LYS A 27 -5.903 9.108 9.355 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.619 10.796 7.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.933 8.268 8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.577 9.026 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.462 9.787 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.635 10.073 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.052 7.242 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.366 8.098 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.368 7.072 5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.572 8.633 5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.175 6.486 5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.615 7.760 6.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.365 6.413 7.220 1.00 0.00 H new ATOM 439 N ALA A 28 -7.094 11.254 10.898 1.00 0.00 N ATOM 440 CA ALA A 28 -7.268 12.199 11.993 1.00 0.00 C ATOM 441 C ALA A 28 -6.625 13.542 11.667 1.00 0.00 C ATOM 442 O ALA A 28 -7.215 14.598 11.894 1.00 0.00 O ATOM 443 CB ALA A 28 -6.687 11.632 13.279 1.00 0.00 C ATOM 0 H ALA A 28 -6.466 10.478 11.106 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.337 12.362 12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.825 12.350 14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.196 10.701 13.529 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.623 11.438 13.143 1.00 0.00 H new ATOM 449 N PHE A 29 -5.410 13.494 11.130 1.00 0.00 N ATOM 450 CA PHE A 29 -4.685 14.708 10.772 1.00 0.00 C ATOM 451 C PHE A 29 -5.149 15.243 9.420 1.00 0.00 C ATOM 452 O PHE A 29 -5.058 16.441 9.153 1.00 0.00 O ATOM 453 CB PHE A 29 -3.180 14.435 10.735 1.00 0.00 C ATOM 454 CG PHE A 29 -2.607 14.057 12.072 1.00 0.00 C ATOM 455 CD1 PHE A 29 -2.904 14.800 13.203 1.00 0.00 C ATOM 456 CD2 PHE A 29 -1.771 12.959 12.196 1.00 0.00 C ATOM 457 CE1 PHE A 29 -2.377 14.456 14.434 1.00 0.00 C ATOM 458 CE2 PHE A 29 -1.240 12.610 13.423 1.00 0.00 C ATOM 459 CZ PHE A 29 -1.545 13.359 14.543 1.00 0.00 C ATOM 0 H PHE A 29 -4.907 12.629 10.933 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.894 15.462 11.531 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.981 13.633 10.024 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.666 15.323 10.366 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.555 15.658 13.122 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.532 12.369 11.324 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.615 15.044 15.308 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.588 11.753 13.506 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.133 13.087 15.504 1.00 0.00 H new ATOM 469 N GLY A 30 -5.647 14.349 8.572 1.00 0.00 N ATOM 470 CA GLY A 30 -6.117 14.755 7.260 1.00 0.00 C ATOM 471 C GLY A 30 -5.016 14.734 6.217 1.00 0.00 C ATOM 472 O GLY A 30 -4.571 15.784 5.754 1.00 0.00 O ATOM 0 H GLY A 30 -5.734 13.352 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.924 14.093 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.535 15.760 7.322 1.00 0.00 H new ATOM 476 N LEU A 31 -4.577 13.536 5.847 1.00 0.00 N ATOM 477 CA LEU A 31 -3.522 13.381 4.852 1.00 0.00 C ATOM 478 C LEU A 31 -3.994 12.512 3.691 1.00 0.00 C ATOM 479 O LEU A 31 -3.238 11.695 3.164 1.00 0.00 O ATOM 480 CB LEU A 31 -2.274 12.770 5.492 1.00 0.00 C ATOM 481 CG LEU A 31 -1.766 13.497 6.740 1.00 0.00 C ATOM 482 CD1 LEU A 31 -1.285 12.500 7.783 1.00 0.00 C ATOM 483 CD2 LEU A 31 -0.654 14.469 6.371 1.00 0.00 C ATOM 0 H LEU A 31 -4.936 12.658 6.221 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.274 14.369 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.489 11.734 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.476 12.751 4.750 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.591 14.065 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.928 13.037 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.109 11.845 8.067 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.473 11.903 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.303 14.978 7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.172 13.921 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.034 15.204 5.662 1.00 0.00 H new ATOM 495 N GLN A 32 -5.250 12.695 3.298 1.00 0.00 N ATOM 496 CA GLN A 32 -5.829 11.929 2.199 1.00 0.00 C ATOM 497 C GLN A 32 -5.337 12.435 0.841 1.00 0.00 C ATOM 498 O GLN A 32 -5.709 11.891 -0.200 1.00 0.00 O ATOM 499 CB GLN A 32 -7.357 11.992 2.258 1.00 0.00 C ATOM 500 CG GLN A 32 -7.982 10.838 3.024 1.00 0.00 C ATOM 501 CD GLN A 32 -9.440 11.082 3.359 1.00 0.00 C ATOM 502 OE1 GLN A 32 -9.922 12.213 3.298 1.00 0.00 O ATOM 503 NE2 GLN A 32 -10.150 10.020 3.720 1.00 0.00 N ATOM 0 H GLN A 32 -5.887 13.368 3.724 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.506 10.894 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.656 12.931 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.752 12.000 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.897 9.926 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.424 10.674 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.710 9.101 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.136 10.123 3.960 1.00 0.00 H new ATOM 512 N ASP A 33 -4.505 13.473 0.853 1.00 0.00 N ATOM 513 CA ASP A 33 -3.973 14.036 -0.382 1.00 0.00 C ATOM 514 C ASP A 33 -2.812 13.196 -0.905 1.00 0.00 C ATOM 515 O ASP A 33 -2.527 13.191 -2.103 1.00 0.00 O ATOM 516 CB ASP A 33 -3.517 15.481 -0.155 1.00 0.00 C ATOM 517 CG ASP A 33 -4.258 16.467 -1.036 1.00 0.00 C ATOM 518 OD1 ASP A 33 -4.237 16.290 -2.272 1.00 0.00 O ATOM 519 OD2 ASP A 33 -4.858 17.416 -0.490 1.00 0.00 O ATOM 0 H ASP A 33 -4.186 13.939 1.702 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.767 14.029 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.670 15.747 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.447 15.556 -0.350 1.00 0.00 H new ATOM 524 N LYS A 34 -2.145 12.481 -0.002 1.00 0.00 N ATOM 525 CA LYS A 34 -1.019 11.635 -0.380 1.00 0.00 C ATOM 526 C LYS A 34 -1.442 10.169 -0.439 1.00 0.00 C ATOM 527 O LYS A 34 -1.269 9.505 -1.460 1.00 0.00 O ATOM 528 CB LYS A 34 0.136 11.811 0.610 1.00 0.00 C ATOM 529 CG LYS A 34 1.475 12.073 -0.064 1.00 0.00 C ATOM 530 CD LYS A 34 1.708 13.559 -0.277 1.00 0.00 C ATOM 531 CE LYS A 34 1.226 14.010 -1.647 1.00 0.00 C ATOM 532 NZ LYS A 34 1.274 15.489 -1.795 1.00 0.00 N ATOM 0 H LYS A 34 -2.365 12.471 0.994 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.682 11.938 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.093 12.639 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.217 10.915 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.278 11.661 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.508 11.557 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.188 14.124 0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.770 13.780 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.842 13.548 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.205 13.663 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.937 15.754 -2.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.666 15.930 -1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.252 15.819 -1.670 1.00 0.00 H new ATOM 546 N ILE A 35 -2.003 9.677 0.661 1.00 0.00 N ATOM 547 CA ILE A 35 -2.458 8.293 0.730 1.00 0.00 C ATOM 548 C ILE A 35 -3.848 8.153 0.118 1.00 0.00 C ATOM 549 O ILE A 35 -4.769 8.889 0.475 1.00 0.00 O ATOM 550 CB ILE A 35 -2.493 7.784 2.184 1.00 0.00 C ATOM 551 CG1 ILE A 35 -1.184 8.122 2.898 1.00 0.00 C ATOM 552 CG2 ILE A 35 -2.748 6.284 2.213 1.00 0.00 C ATOM 553 CD1 ILE A 35 0.032 7.475 2.271 1.00 0.00 C ATOM 0 H ILE A 35 -2.153 10.215 1.515 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.747 7.691 0.164 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.309 8.282 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.050 9.204 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.256 7.808 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.770 5.939 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.705 6.068 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.952 5.769 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.924 7.759 2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.080 6.391 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.129 7.808 1.238 1.00 0.00 H new ATOM 565 N PHE A 36 -3.993 7.213 -0.811 1.00 0.00 N ATOM 566 CA PHE A 36 -5.274 6.992 -1.476 1.00 0.00 C ATOM 567 C PHE A 36 -5.776 5.572 -1.255 1.00 0.00 C ATOM 568 O PHE A 36 -6.818 5.360 -0.634 1.00 0.00 O ATOM 569 CB PHE A 36 -5.144 7.252 -2.976 1.00 0.00 C ATOM 570 CG PHE A 36 -4.392 8.509 -3.304 1.00 0.00 C ATOM 571 CD1 PHE A 36 -4.953 9.753 -3.068 1.00 0.00 C ATOM 572 CD2 PHE A 36 -3.120 8.443 -3.846 1.00 0.00 C ATOM 573 CE1 PHE A 36 -4.257 10.909 -3.367 1.00 0.00 C ATOM 574 CE2 PHE A 36 -2.420 9.592 -4.147 1.00 0.00 C ATOM 575 CZ PHE A 36 -2.988 10.828 -3.908 1.00 0.00 C ATOM 0 H PHE A 36 -3.243 6.594 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.993 7.687 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.640 6.405 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.140 7.310 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.945 9.820 -2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.670 7.480 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.704 11.874 -3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.428 9.526 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.442 11.729 -4.143 1.00 0.00 H new ATOM 585 N GLN A 37 -5.039 4.605 -1.784 1.00 0.00 N ATOM 586 CA GLN A 37 -5.421 3.204 -1.662 1.00 0.00 C ATOM 587 C GLN A 37 -4.589 2.490 -0.603 1.00 0.00 C ATOM 588 O GLN A 37 -3.362 2.443 -0.686 1.00 0.00 O ATOM 589 CB GLN A 37 -5.270 2.501 -3.013 1.00 0.00 C ATOM 590 CG GLN A 37 -6.582 2.291 -3.741 1.00 0.00 C ATOM 591 CD GLN A 37 -7.032 3.522 -4.501 1.00 0.00 C ATOM 592 OE1 GLN A 37 -8.154 3.997 -4.326 1.00 0.00 O ATOM 593 NE2 GLN A 37 -6.157 4.047 -5.351 1.00 0.00 N ATOM 0 H GLN A 37 -4.174 4.764 -2.301 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.464 3.165 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.604 3.088 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.792 1.534 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.478 1.458 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.352 2.012 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.237 3.620 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.404 4.877 -5.890 1.00 0.00 H new ATOM 602 N VAL A 38 -5.271 1.923 0.387 1.00 0.00 N ATOM 603 CA VAL A 38 -4.607 1.197 1.462 1.00 0.00 C ATOM 604 C VAL A 38 -4.980 -0.281 1.423 1.00 0.00 C ATOM 605 O VAL A 38 -5.812 -0.745 2.201 1.00 0.00 O ATOM 606 CB VAL A 38 -4.971 1.775 2.843 1.00 0.00 C ATOM 607 CG1 VAL A 38 -4.265 3.102 3.071 1.00 0.00 C ATOM 608 CG2 VAL A 38 -6.478 1.936 2.973 1.00 0.00 C ATOM 0 H VAL A 38 -6.287 1.953 0.466 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.533 1.307 1.309 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.635 1.076 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.535 3.494 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.186 2.953 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.567 3.812 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.717 2.345 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.840 2.614 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.959 0.965 2.858 1.00 0.00 H new ATOM 618 N LEU A 39 -4.364 -1.012 0.501 1.00 0.00 N ATOM 619 CA LEU A 39 -4.634 -2.438 0.346 1.00 0.00 C ATOM 620 C LEU A 39 -3.670 -3.269 1.183 1.00 0.00 C ATOM 621 O LEU A 39 -2.453 -3.107 1.092 1.00 0.00 O ATOM 622 CB LEU A 39 -4.530 -2.838 -1.131 1.00 0.00 C ATOM 623 CG LEU A 39 -5.072 -4.225 -1.490 1.00 0.00 C ATOM 624 CD1 LEU A 39 -4.011 -5.292 -1.263 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.329 -4.543 -0.690 1.00 0.00 C ATOM 0 H LEU A 39 -3.673 -0.641 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.647 -2.633 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.062 -2.096 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.482 -2.791 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.335 -4.220 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.416 -6.270 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.143 -5.081 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.713 -5.291 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.694 -5.533 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.097 -4.523 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.097 -3.801 -0.908 1.00 0.00 H new ATOM 637 N ILE A 40 -4.224 -4.161 1.995 1.00 0.00 N ATOM 638 CA ILE A 40 -3.415 -5.023 2.848 1.00 0.00 C ATOM 639 C ILE A 40 -3.321 -6.433 2.266 1.00 0.00 C ATOM 640 O ILE A 40 -4.340 -7.036 1.936 1.00 0.00 O ATOM 641 CB ILE A 40 -3.996 -5.106 4.273 1.00 0.00 C ATOM 642 CG1 ILE A 40 -5.498 -5.395 4.220 1.00 0.00 C ATOM 643 CG2 ILE A 40 -3.725 -3.816 5.031 1.00 0.00 C ATOM 644 CD1 ILE A 40 -5.997 -6.215 5.389 1.00 0.00 C ATOM 0 H ILE A 40 -5.230 -4.306 2.081 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.419 -4.582 2.895 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.507 -5.924 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.041 -4.450 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.726 -5.922 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.141 -3.890 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.650 -3.651 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.190 -2.981 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.069 -6.381 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.481 -7.175 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.801 -5.681 6.318 1.00 0.00 H new ATOM 656 N PRO A 41 -2.091 -6.968 2.123 1.00 0.00 N ATOM 657 CA PRO A 41 -1.861 -8.312 1.568 1.00 0.00 C ATOM 658 C PRO A 41 -2.686 -9.399 2.259 1.00 0.00 C ATOM 659 O PRO A 41 -2.142 -10.245 2.969 1.00 0.00 O ATOM 660 CB PRO A 41 -0.372 -8.547 1.823 1.00 0.00 C ATOM 661 CG PRO A 41 0.222 -7.185 1.863 1.00 0.00 C ATOM 662 CD PRO A 41 -0.824 -6.298 2.474 1.00 0.00 C ATOM 0 HA PRO A 41 -2.154 -8.363 0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.210 -9.078 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.075 -9.151 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.137 -7.175 2.455 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.487 -6.845 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.699 -6.215 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.779 -5.287 2.069 1.00 0.00 H new ATOM 670 N THR A 42 -3.997 -9.373 2.037 1.00 0.00 N ATOM 671 CA THR A 42 -4.898 -10.354 2.631 1.00 0.00 C ATOM 672 C THR A 42 -6.201 -10.430 1.842 1.00 0.00 C ATOM 673 O THR A 42 -6.770 -9.405 1.466 1.00 0.00 O ATOM 674 CB THR A 42 -5.198 -9.992 4.087 1.00 0.00 C ATOM 675 OG1 THR A 42 -5.796 -8.711 4.172 1.00 0.00 O ATOM 676 CG2 THR A 42 -3.969 -9.982 4.971 1.00 0.00 C ATOM 0 H THR A 42 -4.460 -8.681 1.448 1.00 0.00 H new ATOM 0 HA THR A 42 -4.408 -11.327 2.600 1.00 0.00 H new ATOM 0 HB THR A 42 -5.874 -10.770 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.311 -8.085 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.255 -9.718 5.989 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.511 -10.971 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.255 -9.250 4.593 1.00 0.00 H new ATOM 948 N LYS A 59 -7.508 -14.719 4.011 1.00 0.00 N ATOM 949 CA LYS A 59 -6.268 -15.443 3.743 1.00 0.00 C ATOM 950 C LYS A 59 -5.141 -14.470 3.414 1.00 0.00 C ATOM 951 O LYS A 59 -5.238 -13.693 2.464 1.00 0.00 O ATOM 952 CB LYS A 59 -6.456 -16.432 2.586 1.00 0.00 C ATOM 953 CG LYS A 59 -7.901 -16.847 2.354 1.00 0.00 C ATOM 954 CD LYS A 59 -8.440 -17.662 3.520 1.00 0.00 C ATOM 955 CE LYS A 59 -7.888 -19.079 3.512 1.00 0.00 C ATOM 956 NZ LYS A 59 -8.656 -19.968 2.597 1.00 0.00 N ATOM 0 HA LYS A 59 -6.003 -16.001 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.066 -15.984 1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.860 -17.323 2.783 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.518 -15.959 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.970 -17.432 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.178 -17.174 4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.528 -17.694 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.842 -19.060 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.917 -19.486 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.249 -20.925 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.649 -20.007 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.607 -19.594 1.628 1.00 0.00 H new ATOM 970 N LYS A 60 -4.076 -14.514 4.205 1.00 0.00 N ATOM 971 CA LYS A 60 -2.934 -13.632 3.995 1.00 0.00 C ATOM 972 C LYS A 60 -2.212 -13.971 2.695 1.00 0.00 C ATOM 973 O LYS A 60 -1.685 -15.072 2.534 1.00 0.00 O ATOM 974 CB LYS A 60 -1.964 -13.728 5.173 1.00 0.00 C ATOM 975 CG LYS A 60 -1.425 -15.130 5.407 1.00 0.00 C ATOM 976 CD LYS A 60 -0.585 -15.201 6.672 1.00 0.00 C ATOM 977 CE LYS A 60 -1.381 -15.768 7.837 1.00 0.00 C ATOM 978 NZ LYS A 60 -0.512 -16.069 9.008 1.00 0.00 N ATOM 0 H LYS A 60 -3.979 -15.150 4.997 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.307 -12.610 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.128 -13.051 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.469 -13.387 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.255 -15.832 5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.823 -15.437 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.293 -15.822 6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.224 -14.205 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.152 -15.056 8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.891 -16.678 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.092 -16.454 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.208 -16.768 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.045 -15.196 9.327 1.00 0.00 H new ATOM 992 N LEU A 61 -2.191 -13.017 1.770 1.00 0.00 N ATOM 993 CA LEU A 61 -1.530 -13.213 0.485 1.00 0.00 C ATOM 994 C LEU A 61 -0.030 -12.974 0.608 1.00 0.00 C ATOM 995 O LEU A 61 0.778 -13.821 0.227 1.00 0.00 O ATOM 996 CB LEU A 61 -2.127 -12.280 -0.570 1.00 0.00 C ATOM 997 CG LEU A 61 -3.492 -12.707 -1.110 1.00 0.00 C ATOM 998 CD1 LEU A 61 -4.295 -11.493 -1.548 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.324 -13.682 -2.266 1.00 0.00 C ATOM 0 H LEU A 61 -2.624 -12.101 1.886 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.691 -14.245 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.218 -11.282 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.430 -12.206 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.038 -13.210 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.264 -11.816 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.443 -10.829 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.755 -10.963 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.305 -13.976 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.760 -13.203 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.787 -14.566 -1.922 1.00 0.00 H new ATOM 1011 N PHE A 62 0.337 -11.818 1.152 1.00 0.00 N ATOM 1012 CA PHE A 62 1.742 -11.473 1.336 1.00 0.00 C ATOM 1013 C PHE A 62 1.995 -11.006 2.768 1.00 0.00 C ATOM 1014 O PHE A 62 1.938 -9.811 3.061 1.00 0.00 O ATOM 1015 CB PHE A 62 2.171 -10.384 0.346 1.00 0.00 C ATOM 1016 CG PHE A 62 1.632 -10.576 -1.046 1.00 0.00 C ATOM 1017 CD1 PHE A 62 0.311 -10.279 -1.344 1.00 0.00 C ATOM 1018 CD2 PHE A 62 2.452 -11.046 -2.060 1.00 0.00 C ATOM 1019 CE1 PHE A 62 -0.182 -10.449 -2.624 1.00 0.00 C ATOM 1020 CE2 PHE A 62 1.965 -11.217 -3.341 1.00 0.00 C ATOM 1021 CZ PHE A 62 0.647 -10.918 -3.625 1.00 0.00 C ATOM 0 H PHE A 62 -0.318 -11.105 1.473 1.00 0.00 H new ATOM 0 HA PHE A 62 2.336 -12.367 1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.841 -9.415 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.260 -10.355 0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.341 -9.910 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.484 -11.281 -1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.214 -10.216 -2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.615 -11.585 -4.121 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.265 -11.050 -4.627 1.00 0.00 H new ATOM 1031 N PRO A 63 2.268 -11.949 3.687 1.00 0.00 N ATOM 1032 CA PRO A 63 2.520 -11.634 5.099 1.00 0.00 C ATOM 1033 C PRO A 63 3.715 -10.706 5.288 1.00 0.00 C ATOM 1034 O PRO A 63 4.677 -10.749 4.522 1.00 0.00 O ATOM 1035 CB PRO A 63 2.803 -13.002 5.733 1.00 0.00 C ATOM 1036 CG PRO A 63 2.211 -13.996 4.794 1.00 0.00 C ATOM 1037 CD PRO A 63 2.344 -13.396 3.424 1.00 0.00 C ATOM 0 HA PRO A 63 1.678 -11.108 5.548 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.874 -13.165 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.353 -13.078 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.734 -14.951 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.166 -14.189 5.037 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.287 -13.671 2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.547 -13.728 2.759 1.00 0.00 H new ATOM 1045 N GLY A 64 3.646 -9.870 6.320 1.00 0.00 N ATOM 1046 CA GLY A 64 4.728 -8.944 6.602 1.00 0.00 C ATOM 1047 C GLY A 64 4.834 -7.824 5.582 1.00 0.00 C ATOM 1048 O GLY A 64 5.799 -7.060 5.594 1.00 0.00 O ATOM 0 H GLY A 64 2.859 -9.818 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.581 -8.513 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.670 -9.492 6.630 1.00 0.00 H new ATOM 1052 N TYR A 65 3.844 -7.722 4.700 1.00 0.00 N ATOM 1053 CA TYR A 65 3.843 -6.685 3.675 1.00 0.00 C ATOM 1054 C TYR A 65 2.630 -5.771 3.821 1.00 0.00 C ATOM 1055 O TYR A 65 1.646 -6.123 4.472 1.00 0.00 O ATOM 1056 CB TYR A 65 3.849 -7.315 2.280 1.00 0.00 C ATOM 1057 CG TYR A 65 5.231 -7.650 1.767 1.00 0.00 C ATOM 1058 CD1 TYR A 65 5.814 -8.881 2.042 1.00 0.00 C ATOM 1059 CD2 TYR A 65 5.950 -6.738 1.005 1.00 0.00 C ATOM 1060 CE1 TYR A 65 7.077 -9.192 1.572 1.00 0.00 C ATOM 1061 CE2 TYR A 65 7.212 -7.043 0.532 1.00 0.00 C ATOM 1062 CZ TYR A 65 7.771 -8.270 0.818 1.00 0.00 C ATOM 1063 OH TYR A 65 9.027 -8.576 0.349 1.00 0.00 O ATOM 0 H TYR A 65 3.035 -8.343 4.675 1.00 0.00 H new ATOM 0 HA TYR A 65 4.745 -6.087 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.249 -8.225 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.368 -6.631 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.273 -9.606 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.516 -5.775 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.517 -10.153 1.795 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.758 -6.323 -0.059 1.00 0.00 H new ATOM 0 HH TYR A 65 9.378 -7.819 -0.165 1.00 0.00 H new ATOM 1073 N LEU A 66 2.708 -4.597 3.203 1.00 0.00 N ATOM 1074 CA LEU A 66 1.620 -3.627 3.252 1.00 0.00 C ATOM 1075 C LEU A 66 1.665 -2.716 2.032 1.00 0.00 C ATOM 1076 O LEU A 66 2.589 -1.921 1.873 1.00 0.00 O ATOM 1077 CB LEU A 66 1.704 -2.791 4.531 1.00 0.00 C ATOM 1078 CG LEU A 66 0.963 -3.374 5.737 1.00 0.00 C ATOM 1079 CD1 LEU A 66 1.930 -4.111 6.652 1.00 0.00 C ATOM 1080 CD2 LEU A 66 0.238 -2.275 6.501 1.00 0.00 C ATOM 0 H LEU A 66 3.517 -4.294 2.660 1.00 0.00 H new ATOM 0 HA LEU A 66 0.676 -4.172 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.754 -2.664 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.305 -1.798 4.324 1.00 0.00 H new ATOM 0 HG LEU A 66 0.222 -4.086 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.386 -4.519 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.404 -4.924 6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.694 -3.419 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.283 -2.708 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.961 -1.539 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.484 -1.790 5.844 1.00 0.00 H new ATOM 1092 N PHE A 67 0.665 -2.841 1.166 1.00 0.00 N ATOM 1093 CA PHE A 67 0.597 -2.033 -0.046 1.00 0.00 C ATOM 1094 C PHE A 67 -0.151 -0.727 0.204 1.00 0.00 C ATOM 1095 O PHE A 67 -1.310 -0.730 0.615 1.00 0.00 O ATOM 1096 CB PHE A 67 -0.086 -2.812 -1.169 1.00 0.00 C ATOM 1097 CG PHE A 67 0.387 -4.233 -1.292 1.00 0.00 C ATOM 1098 CD1 PHE A 67 1.732 -4.545 -1.182 1.00 0.00 C ATOM 1099 CD2 PHE A 67 -0.517 -5.256 -1.524 1.00 0.00 C ATOM 1100 CE1 PHE A 67 2.167 -5.851 -1.299 1.00 0.00 C ATOM 1101 CE2 PHE A 67 -0.090 -6.564 -1.642 1.00 0.00 C ATOM 1102 CZ PHE A 67 1.254 -6.862 -1.531 1.00 0.00 C ATOM 0 H PHE A 67 -0.110 -3.494 1.281 1.00 0.00 H new ATOM 0 HA PHE A 67 1.618 -1.795 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.163 -2.810 -0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.088 -2.297 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.449 -3.758 -1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.569 -5.028 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.218 -6.081 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.806 -7.353 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.591 -7.884 -1.625 1.00 0.00 H new ATOM 1112 N ILE A 68 0.523 0.389 -0.058 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.076 1.705 0.132 1.00 0.00 C ATOM 1114 C ILE A 68 0.091 2.566 -1.114 1.00 0.00 C ATOM 1115 O ILE A 68 1.199 2.989 -1.444 1.00 0.00 O ATOM 1116 CB ILE A 68 0.544 2.452 1.333 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.879 1.480 2.469 1.00 0.00 C ATOM 1118 CG2 ILE A 68 -0.404 3.537 1.823 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.366 1.260 2.651 1.00 0.00 C ATOM 0 H ILE A 68 1.483 0.408 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.135 1.537 0.328 1.00 0.00 H new ATOM 0 HB ILE A 68 1.472 2.919 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.459 1.861 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.399 0.522 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.044 4.057 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.590 4.248 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.346 3.084 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.533 0.562 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.788 0.850 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.849 2.210 2.880 1.00 0.00 H new ATOM 1131 N GLN A 69 -1.015 2.827 -1.802 1.00 0.00 N ATOM 1132 CA GLN A 69 -0.986 3.645 -3.008 1.00 0.00 C ATOM 1133 C GLN A 69 -0.935 5.123 -2.643 1.00 0.00 C ATOM 1134 O GLN A 69 -1.933 5.837 -2.754 1.00 0.00 O ATOM 1135 CB GLN A 69 -2.212 3.365 -3.872 1.00 0.00 C ATOM 1136 CG GLN A 69 -2.269 4.197 -5.142 1.00 0.00 C ATOM 1137 CD GLN A 69 -1.951 3.393 -6.387 1.00 0.00 C ATOM 1138 OE1 GLN A 69 -0.794 3.287 -6.792 1.00 0.00 O ATOM 1139 NE2 GLN A 69 -2.980 2.820 -7.001 1.00 0.00 N ATOM 0 H GLN A 69 -1.941 2.485 -1.546 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.091 3.389 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.223 2.308 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.110 3.554 -3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.263 4.633 -5.241 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.565 5.025 -5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.923 2.934 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.827 2.266 -7.843 1.00 0.00 H new ATOM 1148 N MET A 70 0.236 5.568 -2.201 1.00 0.00 N ATOM 1149 CA MET A 70 0.433 6.959 -1.810 1.00 0.00 C ATOM 1150 C MET A 70 0.921 7.798 -2.988 1.00 0.00 C ATOM 1151 O MET A 70 0.989 7.318 -4.119 1.00 0.00 O ATOM 1152 CB MET A 70 1.421 7.054 -0.644 1.00 0.00 C ATOM 1153 CG MET A 70 2.803 6.509 -0.965 1.00 0.00 C ATOM 1154 SD MET A 70 3.810 6.256 0.509 1.00 0.00 S ATOM 1155 CE MET A 70 3.908 7.927 1.144 1.00 0.00 C ATOM 0 H MET A 70 1.066 4.983 -2.104 1.00 0.00 H new ATOM 0 HA MET A 70 -0.529 7.356 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.513 8.097 -0.342 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.015 6.510 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.702 5.563 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.315 7.199 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.872 8.076 1.630 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.803 8.635 0.322 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.109 8.089 1.867 1.00 0.00 H new ATOM 1165 N ASP A 71 1.268 9.052 -2.712 1.00 0.00 N ATOM 1166 CA ASP A 71 1.756 9.957 -3.746 1.00 0.00 C ATOM 1167 C ASP A 71 3.095 10.568 -3.340 1.00 0.00 C ATOM 1168 O ASP A 71 3.150 11.682 -2.820 1.00 0.00 O ATOM 1169 CB ASP A 71 0.734 11.067 -4.008 1.00 0.00 C ATOM 1170 CG ASP A 71 0.569 11.361 -5.487 1.00 0.00 C ATOM 1171 OD1 ASP A 71 1.510 11.076 -6.257 1.00 0.00 O ATOM 1172 OD2 ASP A 71 -0.501 11.875 -5.874 1.00 0.00 O ATOM 0 H ASP A 71 1.220 9.464 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 71 1.898 9.383 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.229 10.777 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.047 11.975 -3.492 1.00 0.00 H new ATOM 1177 N LEU A 72 4.174 9.827 -3.576 1.00 0.00 N ATOM 1178 CA LEU A 72 5.514 10.295 -3.233 1.00 0.00 C ATOM 1179 C LEU A 72 6.159 11.048 -4.396 1.00 0.00 C ATOM 1180 O LEU A 72 7.338 11.396 -4.337 1.00 0.00 O ATOM 1181 CB LEU A 72 6.396 9.114 -2.828 1.00 0.00 C ATOM 1182 CG LEU A 72 6.106 8.531 -1.442 1.00 0.00 C ATOM 1183 CD1 LEU A 72 6.932 7.274 -1.207 1.00 0.00 C ATOM 1184 CD2 LEU A 72 6.379 9.566 -0.360 1.00 0.00 C ATOM 0 H LEU A 72 4.147 8.901 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 72 5.421 10.984 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.280 8.323 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.438 9.431 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 72 5.051 8.259 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.712 6.874 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.684 6.529 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.992 7.518 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.167 9.134 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.425 9.871 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.741 10.435 -0.519 1.00 0.00 H new ATOM 1245 N GLU A 77 12.205 15.557 -1.663 1.00 0.00 N ATOM 1246 CA GLU A 77 11.911 15.137 -0.298 1.00 0.00 C ATOM 1247 C GLU A 77 10.457 14.689 -0.167 1.00 0.00 C ATOM 1248 O GLU A 77 9.576 15.200 -0.859 1.00 0.00 O ATOM 1249 CB GLU A 77 12.197 16.278 0.681 1.00 0.00 C ATOM 1250 CG GLU A 77 13.585 16.214 1.300 1.00 0.00 C ATOM 1251 CD GLU A 77 14.506 17.301 0.780 1.00 0.00 C ATOM 1252 OE1 GLU A 77 15.133 17.090 -0.279 1.00 0.00 O ATOM 1253 OE2 GLU A 77 14.599 18.362 1.432 1.00 0.00 O ATOM 0 HA GLU A 77 12.555 14.291 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.083 17.229 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.452 16.259 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.500 16.302 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.026 15.239 1.093 1.00 0.00 H new ATOM 1260 N PRO A 78 10.184 13.724 0.729 1.00 0.00 N ATOM 1261 CA PRO A 78 8.829 13.210 0.949 1.00 0.00 C ATOM 1262 C PRO A 78 7.933 14.225 1.651 1.00 0.00 C ATOM 1263 O PRO A 78 8.364 14.914 2.576 1.00 0.00 O ATOM 1264 CB PRO A 78 9.054 11.986 1.839 1.00 0.00 C ATOM 1265 CG PRO A 78 10.328 12.270 2.556 1.00 0.00 C ATOM 1266 CD PRO A 78 11.175 13.062 1.599 1.00 0.00 C ATOM 0 HA PRO A 78 8.321 12.983 0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.229 11.847 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.127 11.074 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.144 12.833 3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.827 11.345 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.799 13.787 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.844 12.418 1.028 1.00 0.00 H new ATOM 1274 N ASN A 79 6.684 14.309 1.207 1.00 0.00 N ATOM 1275 CA ASN A 79 5.726 15.241 1.794 1.00 0.00 C ATOM 1276 C ASN A 79 5.475 14.911 3.261 1.00 0.00 C ATOM 1277 O ASN A 79 6.026 13.949 3.796 1.00 0.00 O ATOM 1278 CB ASN A 79 4.408 15.206 1.015 1.00 0.00 C ATOM 1279 CG ASN A 79 3.866 16.594 0.736 1.00 0.00 C ATOM 1280 OD1 ASN A 79 2.737 16.918 1.104 1.00 0.00 O ATOM 1281 ND2 ASN A 79 4.669 17.423 0.080 1.00 0.00 N ATOM 0 H ASN A 79 6.311 13.744 0.444 1.00 0.00 H new ATOM 0 HA ASN A 79 6.148 16.244 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.560 14.682 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.670 14.637 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.357 18.370 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.598 17.113 -0.207 1.00 0.00 H new ATOM 1288 N GLU A 80 4.638 15.717 3.908 1.00 0.00 N ATOM 1289 CA GLU A 80 4.311 15.511 5.314 1.00 0.00 C ATOM 1290 C GLU A 80 3.694 14.134 5.540 1.00 0.00 C ATOM 1291 O GLU A 80 3.743 13.597 6.647 1.00 0.00 O ATOM 1292 CB GLU A 80 3.350 16.599 5.798 1.00 0.00 C ATOM 1293 CG GLU A 80 2.030 16.623 5.046 1.00 0.00 C ATOM 1294 CD GLU A 80 1.431 18.013 4.964 1.00 0.00 C ATOM 1295 OE1 GLU A 80 0.767 18.432 5.935 1.00 0.00 O ATOM 1296 OE2 GLU A 80 1.628 18.685 3.929 1.00 0.00 O ATOM 0 H GLU A 80 4.174 16.519 3.480 1.00 0.00 H new ATOM 0 HA GLU A 80 5.237 15.569 5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.151 16.451 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.834 17.571 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.183 16.237 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.323 15.955 5.539 1.00 0.00 H new ATOM 1303 N ALA A 81 3.112 13.567 4.487 1.00 0.00 N ATOM 1304 CA ALA A 81 2.486 12.252 4.573 1.00 0.00 C ATOM 1305 C ALA A 81 3.451 11.214 5.137 1.00 0.00 C ATOM 1306 O ALA A 81 3.110 10.470 6.057 1.00 0.00 O ATOM 1307 CB ALA A 81 1.982 11.818 3.205 1.00 0.00 C ATOM 0 H ALA A 81 3.061 13.998 3.564 1.00 0.00 H new ATOM 0 HA ALA A 81 1.639 12.327 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.517 10.835 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.249 12.538 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.818 11.769 2.508 1.00 0.00 H new ATOM 1313 N TRP A 82 4.656 11.170 4.580 1.00 0.00 N ATOM 1314 CA TRP A 82 5.669 10.222 5.027 1.00 0.00 C ATOM 1315 C TRP A 82 6.114 10.535 6.452 1.00 0.00 C ATOM 1316 O TRP A 82 6.407 9.630 7.234 1.00 0.00 O ATOM 1317 CB TRP A 82 6.875 10.246 4.088 1.00 0.00 C ATOM 1318 CG TRP A 82 7.718 9.009 4.171 1.00 0.00 C ATOM 1319 CD1 TRP A 82 9.072 8.950 4.337 1.00 0.00 C ATOM 1320 CD2 TRP A 82 7.262 7.654 4.090 1.00 0.00 C ATOM 1321 NE1 TRP A 82 9.486 7.640 4.366 1.00 0.00 N ATOM 1322 CE2 TRP A 82 8.394 6.826 4.217 1.00 0.00 C ATOM 1323 CE3 TRP A 82 6.007 7.059 3.925 1.00 0.00 C ATOM 1324 CZ2 TRP A 82 8.308 5.437 4.183 1.00 0.00 C ATOM 1325 CZ3 TRP A 82 5.925 5.679 3.892 1.00 0.00 C ATOM 1326 CH2 TRP A 82 7.067 4.882 4.022 1.00 0.00 C ATOM 0 H TRP A 82 4.955 11.779 3.819 1.00 0.00 H new ATOM 0 HA TRP A 82 5.228 9.225 5.012 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.526 10.371 3.063 1.00 0.00 H new ATOM 0 HB3 TRP A 82 7.492 11.114 4.323 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.722 9.807 4.432 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.449 7.325 4.480 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.119 7.666 3.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.189 4.819 4.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 4.962 5.208 3.764 1.00 0.00 H new ATOM 0 HH2 TRP A 82 6.968 3.807 3.995 1.00 0.00 H new ATOM 1337 N GLU A 83 6.160 11.822 6.784 1.00 0.00 N ATOM 1338 CA GLU A 83 6.566 12.253 8.115 1.00 0.00 C ATOM 1339 C GLU A 83 5.632 11.683 9.178 1.00 0.00 C ATOM 1340 O GLU A 83 6.047 11.415 10.306 1.00 0.00 O ATOM 1341 CB GLU A 83 6.581 13.779 8.198 1.00 0.00 C ATOM 1342 CG GLU A 83 7.593 14.430 7.269 1.00 0.00 C ATOM 1343 CD GLU A 83 7.806 15.899 7.575 1.00 0.00 C ATOM 1344 OE1 GLU A 83 6.810 16.596 7.865 1.00 0.00 O ATOM 1345 OE2 GLU A 83 8.968 16.354 7.524 1.00 0.00 O ATOM 0 H GLU A 83 5.921 12.583 6.149 1.00 0.00 H new ATOM 0 HA GLU A 83 7.572 11.877 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.587 14.157 7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.798 14.076 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.545 13.904 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.256 14.323 6.238 1.00 0.00 H new ATOM 1352 N VAL A 84 4.369 11.499 8.810 1.00 0.00 N ATOM 1353 CA VAL A 84 3.376 10.958 9.729 1.00 0.00 C ATOM 1354 C VAL A 84 3.403 9.434 9.732 1.00 0.00 C ATOM 1355 O VAL A 84 3.408 8.805 10.791 1.00 0.00 O ATOM 1356 CB VAL A 84 1.956 11.434 9.367 1.00 0.00 C ATOM 1357 CG1 VAL A 84 0.963 11.020 10.442 1.00 0.00 C ATOM 1358 CG2 VAL A 84 1.935 12.943 9.160 1.00 0.00 C ATOM 0 H VAL A 84 4.009 11.717 7.881 1.00 0.00 H new ATOM 0 HA VAL A 84 3.632 11.326 10.723 1.00 0.00 H new ATOM 0 HB VAL A 84 1.660 10.959 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.034 11.365 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.958 9.934 10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.252 11.464 11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.924 13.261 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.252 13.440 10.077 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.614 13.209 8.350 1.00 0.00 H new ATOM 1368 N VAL A 85 3.425 8.845 8.541 1.00 0.00 N ATOM 1369 CA VAL A 85 3.454 7.393 8.409 1.00 0.00 C ATOM 1370 C VAL A 85 4.690 6.809 9.084 1.00 0.00 C ATOM 1371 O VAL A 85 4.595 5.866 9.867 1.00 0.00 O ATOM 1372 CB VAL A 85 3.437 6.962 6.929 1.00 0.00 C ATOM 1373 CG1 VAL A 85 3.327 5.448 6.812 1.00 0.00 C ATOM 1374 CG2 VAL A 85 2.300 7.644 6.184 1.00 0.00 C ATOM 0 H VAL A 85 3.423 9.350 7.655 1.00 0.00 H new ATOM 0 HA VAL A 85 2.559 7.011 8.899 1.00 0.00 H new ATOM 0 HB VAL A 85 4.377 7.272 6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.317 5.164 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.180 4.982 7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.405 5.112 7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.306 7.326 5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.349 7.370 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.429 8.725 6.234 1.00 0.00 H new ATOM 1384 N ARG A 86 5.850 7.379 8.776 1.00 0.00 N ATOM 1385 CA ARG A 86 7.107 6.918 9.354 1.00 0.00 C ATOM 1386 C ARG A 86 7.195 7.281 10.836 1.00 0.00 C ATOM 1387 O ARG A 86 8.001 6.711 11.574 1.00 0.00 O ATOM 1388 CB ARG A 86 8.291 7.524 8.597 1.00 0.00 C ATOM 1389 CG ARG A 86 9.599 6.781 8.820 1.00 0.00 C ATOM 1390 CD ARG A 86 10.745 7.425 8.056 1.00 0.00 C ATOM 1391 NE ARG A 86 11.900 7.677 8.913 1.00 0.00 N ATOM 1392 CZ ARG A 86 13.122 7.938 8.452 1.00 0.00 C ATOM 1393 NH1 ARG A 86 13.350 7.984 7.146 1.00 0.00 N ATOM 1394 NH2 ARG A 86 14.117 8.157 9.301 1.00 0.00 N ATOM 0 H ARG A 86 5.946 8.162 8.129 1.00 0.00 H new ATOM 0 HA ARG A 86 7.142 5.832 9.264 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.064 7.532 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.415 8.562 8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.833 6.767 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.488 5.744 8.504 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.040 6.777 7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.407 8.364 7.618 1.00 0.00 H new ATOM 0 HE ARG A 86 11.763 7.652 9.923 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.587 7.819 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.288 8.184 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.946 8.125 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.053 8.357 8.949 1.00 0.00 H new ATOM 1408 N GLY A 87 6.369 8.230 11.265 1.00 0.00 N ATOM 1409 CA GLY A 87 6.379 8.649 12.654 1.00 0.00 C ATOM 1410 C GLY A 87 5.476 7.800 13.531 1.00 0.00 C ATOM 1411 O GLY A 87 5.667 7.735 14.745 1.00 0.00 O ATOM 0 H GLY A 87 5.693 8.716 10.675 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.399 8.601 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.064 9.691 12.717 1.00 0.00 H new ATOM 1415 N THR A 88 4.490 7.150 12.919 1.00 0.00 N ATOM 1416 CA THR A 88 3.557 6.304 13.660 1.00 0.00 C ATOM 1417 C THR A 88 4.303 5.260 14.492 1.00 0.00 C ATOM 1418 O THR A 88 4.868 4.312 13.947 1.00 0.00 O ATOM 1419 CB THR A 88 2.591 5.607 12.699 1.00 0.00 C ATOM 1420 OG1 THR A 88 3.303 4.866 11.725 1.00 0.00 O ATOM 1421 CG2 THR A 88 1.676 6.568 11.968 1.00 0.00 C ATOM 0 H THR A 88 4.316 7.192 11.915 1.00 0.00 H new ATOM 0 HA THR A 88 2.990 6.944 14.336 1.00 0.00 H new ATOM 0 HB THR A 88 1.981 4.955 13.324 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.611 5.469 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.017 6.009 11.303 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.077 7.121 12.691 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.274 7.266 11.383 1.00 0.00 H new ATOM 1429 N PRO A 89 4.318 5.420 15.829 1.00 0.00 N ATOM 1430 CA PRO A 89 5.002 4.482 16.726 1.00 0.00 C ATOM 1431 C PRO A 89 4.600 3.034 16.467 1.00 0.00 C ATOM 1432 O PRO A 89 3.429 2.672 16.592 1.00 0.00 O ATOM 1433 CB PRO A 89 4.545 4.923 18.118 1.00 0.00 C ATOM 1434 CG PRO A 89 4.210 6.365 17.966 1.00 0.00 C ATOM 1435 CD PRO A 89 3.671 6.520 16.570 1.00 0.00 C ATOM 0 HA PRO A 89 6.083 4.505 16.591 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.681 4.349 18.452 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.331 4.775 18.858 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.472 6.674 18.706 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.092 6.988 18.115 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.585 6.435 16.547 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.924 7.492 16.147 1.00 0.00 H new ATOM 1443 N GLY A 90 5.578 2.210 16.106 1.00 0.00 N ATOM 1444 CA GLY A 90 5.307 0.811 15.836 1.00 0.00 C ATOM 1445 C GLY A 90 5.312 0.489 14.353 1.00 0.00 C ATOM 1446 O GLY A 90 4.823 -0.563 13.939 1.00 0.00 O ATOM 0 H GLY A 90 6.554 2.487 15.996 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.054 0.197 16.339 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.338 0.545 16.258 1.00 0.00 H new ATOM 1450 N ILE A 91 5.866 1.394 13.549 1.00 0.00 N ATOM 1451 CA ILE A 91 5.929 1.195 12.106 1.00 0.00 C ATOM 1452 C ILE A 91 7.375 1.034 11.640 1.00 0.00 C ATOM 1453 O ILE A 91 8.207 1.918 11.847 1.00 0.00 O ATOM 1454 CB ILE A 91 5.263 2.369 11.351 1.00 0.00 C ATOM 1455 CG1 ILE A 91 4.985 1.986 9.893 1.00 0.00 C ATOM 1456 CG2 ILE A 91 6.123 3.626 11.431 1.00 0.00 C ATOM 1457 CD1 ILE A 91 6.230 1.843 9.043 1.00 0.00 C ATOM 0 H ILE A 91 6.276 2.270 13.873 1.00 0.00 H new ATOM 0 HA ILE A 91 5.382 0.280 11.879 1.00 0.00 H new ATOM 0 HB ILE A 91 4.309 2.586 11.832 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.435 1.045 9.874 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.338 2.742 9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.633 4.437 10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 91 6.255 3.911 12.475 1.00 0.00 H new ATOM 0 HG23 ILE A 91 7.097 3.430 10.983 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.947 1.571 8.026 1.00 0.00 H new ATOM 0 HD12 ILE A 91 6.771 2.789 9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.869 1.066 9.462 1.00 0.00 H new ATOM 1567 N ARG A 100 15.359 2.936 1.550 1.00 0.00 N ATOM 1568 CA ARG A 100 14.207 3.560 0.909 1.00 0.00 C ATOM 1569 C ARG A 100 13.107 2.531 0.645 1.00 0.00 C ATOM 1570 O ARG A 100 13.380 1.337 0.526 1.00 0.00 O ATOM 1571 CB ARG A 100 14.628 4.222 -0.405 1.00 0.00 C ATOM 1572 CG ARG A 100 15.168 3.242 -1.434 1.00 0.00 C ATOM 1573 CD ARG A 100 16.455 3.746 -2.068 1.00 0.00 C ATOM 1574 NE ARG A 100 17.636 3.103 -1.499 1.00 0.00 N ATOM 1575 CZ ARG A 100 18.883 3.516 -1.714 1.00 0.00 C ATOM 1576 NH1 ARG A 100 19.115 4.573 -2.483 1.00 0.00 N ATOM 1577 NH2 ARG A 100 19.900 2.873 -1.158 1.00 0.00 N ATOM 0 HA ARG A 100 13.813 4.321 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.771 4.746 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 100 15.390 4.973 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.349 2.278 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.420 3.079 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 100 16.425 3.563 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 100 16.528 4.825 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 100 17.497 2.289 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 100 18.336 5.072 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 100 20.072 4.886 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 100 19.727 2.061 -0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 100 20.855 3.190 -1.323 1.00 0.00 H new ATOM 1591 N PRO A 101 11.845 2.985 0.547 1.00 0.00 N ATOM 1592 CA PRO A 101 10.704 2.100 0.293 1.00 0.00 C ATOM 1593 C PRO A 101 10.875 1.299 -0.994 1.00 0.00 C ATOM 1594 O PRO A 101 11.872 1.445 -1.700 1.00 0.00 O ATOM 1595 CB PRO A 101 9.511 3.060 0.174 1.00 0.00 C ATOM 1596 CG PRO A 101 10.111 4.410 -0.041 1.00 0.00 C ATOM 1597 CD PRO A 101 11.431 4.390 0.670 1.00 0.00 C ATOM 0 HA PRO A 101 10.584 1.358 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.863 2.781 -0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.899 3.041 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.243 4.614 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.465 5.193 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 101 12.150 5.066 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.334 4.693 1.712 1.00 0.00 H new ATOM 1605 N VAL A 102 9.896 0.451 -1.292 1.00 0.00 N ATOM 1606 CA VAL A 102 9.941 -0.374 -2.493 1.00 0.00 C ATOM 1607 C VAL A 102 8.570 -0.454 -3.163 1.00 0.00 C ATOM 1608 O VAL A 102 7.729 -1.265 -2.774 1.00 0.00 O ATOM 1609 CB VAL A 102 10.427 -1.801 -2.174 1.00 0.00 C ATOM 1610 CG1 VAL A 102 10.661 -2.585 -3.456 1.00 0.00 C ATOM 1611 CG2 VAL A 102 11.690 -1.758 -1.328 1.00 0.00 C ATOM 0 H VAL A 102 9.063 0.317 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 102 10.646 0.101 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 102 9.651 -2.310 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.004 -3.590 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 102 9.730 -2.647 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.417 -2.081 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.018 -2.775 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.474 -1.231 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.484 -1.238 -0.393 1.00 0.00 H new ATOM 1621 N PRO A 103 8.327 0.388 -4.183 1.00 0.00 N ATOM 1622 CA PRO A 103 7.048 0.402 -4.903 1.00 0.00 C ATOM 1623 C PRO A 103 6.852 -0.848 -5.754 1.00 0.00 C ATOM 1624 O PRO A 103 7.697 -1.184 -6.584 1.00 0.00 O ATOM 1625 CB PRO A 103 7.151 1.644 -5.790 1.00 0.00 C ATOM 1626 CG PRO A 103 8.612 1.857 -5.982 1.00 0.00 C ATOM 1627 CD PRO A 103 9.272 1.389 -4.714 1.00 0.00 C ATOM 0 HA PRO A 103 6.197 0.420 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 103 6.645 1.492 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.685 2.508 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.978 1.296 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.831 2.908 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.252 0.952 -4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.423 2.210 -4.013 1.00 0.00 H new ATOM 1635 N LEU A 104 5.734 -1.534 -5.542 1.00 0.00 N ATOM 1636 CA LEU A 104 5.427 -2.750 -6.290 1.00 0.00 C ATOM 1637 C LEU A 104 5.331 -2.464 -7.784 1.00 0.00 C ATOM 1638 O LEU A 104 5.116 -1.325 -8.197 1.00 0.00 O ATOM 1639 CB LEU A 104 4.117 -3.362 -5.790 1.00 0.00 C ATOM 1640 CG LEU A 104 4.039 -3.578 -4.276 1.00 0.00 C ATOM 1641 CD1 LEU A 104 2.708 -3.085 -3.731 1.00 0.00 C ATOM 1642 CD2 LEU A 104 4.244 -5.047 -3.936 1.00 0.00 C ATOM 0 H LEU A 104 5.025 -1.269 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 104 6.238 -3.460 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.293 -2.716 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.969 -4.321 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 104 4.835 -3.001 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.673 -3.248 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.601 -2.021 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.895 -3.633 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.185 -5.182 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.470 -5.644 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.224 -5.369 -4.289 1.00 0.00 H new ATOM 1654 N SER A 105 5.491 -3.508 -8.591 1.00 0.00 N ATOM 1655 CA SER A 105 5.422 -3.374 -10.043 1.00 0.00 C ATOM 1656 C SER A 105 3.992 -3.572 -10.540 1.00 0.00 C ATOM 1657 O SER A 105 3.227 -4.345 -9.964 1.00 0.00 O ATOM 1658 CB SER A 105 6.354 -4.382 -10.714 1.00 0.00 C ATOM 1659 OG SER A 105 7.630 -3.817 -10.957 1.00 0.00 O ATOM 0 H SER A 105 5.670 -4.458 -8.264 1.00 0.00 H new ATOM 0 HA SER A 105 5.742 -2.366 -10.306 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.458 -5.263 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.916 -4.716 -11.655 1.00 0.00 H new ATOM 0 HG SER A 105 8.207 -4.484 -11.385 1.00 0.00 H new ATOM 1665 N PRO A 106 3.610 -2.873 -11.623 1.00 0.00 N ATOM 1666 CA PRO A 106 2.263 -2.975 -12.197 1.00 0.00 C ATOM 1667 C PRO A 106 1.852 -4.420 -12.465 1.00 0.00 C ATOM 1668 O PRO A 106 0.672 -4.765 -12.387 1.00 0.00 O ATOM 1669 CB PRO A 106 2.375 -2.200 -13.510 1.00 0.00 C ATOM 1670 CG PRO A 106 3.487 -1.235 -13.285 1.00 0.00 C ATOM 1671 CD PRO A 106 4.458 -1.928 -12.373 1.00 0.00 C ATOM 0 HA PRO A 106 1.503 -2.585 -11.520 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.591 -2.866 -14.346 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.444 -1.684 -13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.963 -0.962 -14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.119 -0.313 -12.835 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.237 -2.445 -12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.958 -1.223 -11.709 1.00 0.00 H new ATOM 1679 N ASP A 107 2.831 -5.261 -12.781 1.00 0.00 N ATOM 1680 CA ASP A 107 2.568 -6.668 -13.063 1.00 0.00 C ATOM 1681 C ASP A 107 2.144 -7.408 -11.799 1.00 0.00 C ATOM 1682 O ASP A 107 1.367 -8.361 -11.857 1.00 0.00 O ATOM 1683 CB ASP A 107 3.809 -7.330 -13.665 1.00 0.00 C ATOM 1684 CG ASP A 107 3.771 -7.360 -15.181 1.00 0.00 C ATOM 1685 OD1 ASP A 107 3.532 -6.297 -15.791 1.00 0.00 O ATOM 1686 OD2 ASP A 107 3.979 -8.448 -15.757 1.00 0.00 O ATOM 0 H ASP A 107 3.813 -4.993 -12.848 1.00 0.00 H new ATOM 0 HA ASP A 107 1.751 -6.721 -13.783 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.699 -6.793 -13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.894 -8.349 -13.286 1.00 0.00 H new ATOM 1691 N GLU A 108 2.662 -6.967 -10.657 1.00 0.00 N ATOM 1692 CA GLU A 108 2.336 -7.591 -9.379 1.00 0.00 C ATOM 1693 C GLU A 108 1.194 -6.854 -8.688 1.00 0.00 C ATOM 1694 O GLU A 108 0.403 -7.457 -7.961 1.00 0.00 O ATOM 1695 CB GLU A 108 3.567 -7.611 -8.471 1.00 0.00 C ATOM 1696 CG GLU A 108 3.520 -8.696 -7.408 1.00 0.00 C ATOM 1697 CD GLU A 108 4.899 -9.090 -6.916 1.00 0.00 C ATOM 1698 OE1 GLU A 108 5.809 -8.235 -6.950 1.00 0.00 O ATOM 1699 OE2 GLU A 108 5.070 -10.254 -6.497 1.00 0.00 O ATOM 0 H GLU A 108 3.309 -6.181 -10.590 1.00 0.00 H new ATOM 0 HA GLU A 108 2.018 -8.615 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.458 -7.752 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.665 -6.641 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.923 -8.348 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.018 -9.575 -7.813 1.00 0.00 H new ATOM 1706 N VAL A 109 1.111 -5.548 -8.919 1.00 0.00 N ATOM 1707 CA VAL A 109 0.066 -4.730 -8.318 1.00 0.00 C ATOM 1708 C VAL A 109 -1.311 -5.111 -8.855 1.00 0.00 C ATOM 1709 O VAL A 109 -2.317 -4.979 -8.158 1.00 0.00 O ATOM 1710 CB VAL A 109 0.307 -3.231 -8.578 1.00 0.00 C ATOM 1711 CG1 VAL A 109 -0.683 -2.388 -7.791 1.00 0.00 C ATOM 1712 CG2 VAL A 109 1.740 -2.851 -8.231 1.00 0.00 C ATOM 0 H VAL A 109 1.756 -5.034 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 109 0.099 -4.916 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 109 0.152 -3.035 -9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.498 -1.332 -7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.699 -2.641 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.563 -2.586 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.891 -1.788 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.927 -3.061 -7.178 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.429 -3.431 -8.845 1.00 0.00 H new ATOM 1722 N ARG A 110 -1.350 -5.584 -10.094 1.00 0.00 N ATOM 1723 CA ARG A 110 -2.607 -5.982 -10.715 1.00 0.00 C ATOM 1724 C ARG A 110 -3.220 -7.171 -9.987 1.00 0.00 C ATOM 1725 O ARG A 110 -4.435 -7.236 -9.800 1.00 0.00 O ATOM 1726 CB ARG A 110 -2.387 -6.327 -12.189 1.00 0.00 C ATOM 1727 CG ARG A 110 -3.644 -6.208 -13.036 1.00 0.00 C ATOM 1728 CD ARG A 110 -3.683 -4.891 -13.799 1.00 0.00 C ATOM 1729 NE ARG A 110 -4.068 -5.079 -15.194 1.00 0.00 N ATOM 1730 CZ ARG A 110 -3.894 -4.160 -16.141 1.00 0.00 C ATOM 1731 NH1 ARG A 110 -3.341 -2.990 -15.847 1.00 0.00 N ATOM 1732 NH2 ARG A 110 -4.273 -4.412 -17.387 1.00 0.00 N ATOM 0 H ARG A 110 -0.529 -5.701 -10.687 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.299 -5.142 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.620 -5.669 -12.597 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.005 -7.345 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.689 -7.039 -13.740 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.523 -6.285 -12.396 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.387 -4.213 -13.317 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.703 -4.417 -13.754 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.495 -5.966 -15.459 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.047 -2.791 -14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.210 -2.290 -16.577 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.698 -5.310 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.140 -3.708 -18.113 1.00 0.00 H new ATOM 1746 N HIS A 111 -2.374 -8.107 -9.574 1.00 0.00 N ATOM 1747 CA HIS A 111 -2.840 -9.290 -8.861 1.00 0.00 C ATOM 1748 C HIS A 111 -3.346 -8.914 -7.473 1.00 0.00 C ATOM 1749 O HIS A 111 -4.466 -9.258 -7.097 1.00 0.00 O ATOM 1750 CB HIS A 111 -1.720 -10.327 -8.752 1.00 0.00 C ATOM 1751 CG HIS A 111 -1.914 -11.513 -9.646 1.00 0.00 C ATOM 1752 ND1 HIS A 111 -2.468 -11.425 -10.906 1.00 0.00 N ATOM 1753 CD2 HIS A 111 -1.624 -12.822 -9.456 1.00 0.00 C ATOM 1754 CE1 HIS A 111 -2.510 -12.628 -11.451 1.00 0.00 C ATOM 1755 NE2 HIS A 111 -2.004 -13.493 -10.592 1.00 0.00 N ATOM 0 H HIS A 111 -1.365 -8.070 -9.720 1.00 0.00 H new ATOM 0 HA HIS A 111 -3.664 -9.726 -9.425 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.770 -9.851 -8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.651 -10.668 -7.719 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.177 -13.257 -8.575 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.893 -12.864 -12.433 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.910 -14.497 -10.747 1.00 0.00 H new ATOM 1764 N ILE A 112 -2.519 -8.199 -6.717 1.00 0.00 N ATOM 1765 CA ILE A 112 -2.902 -7.774 -5.379 1.00 0.00 C ATOM 1766 C ILE A 112 -4.073 -6.798 -5.438 1.00 0.00 C ATOM 1767 O ILE A 112 -4.803 -6.629 -4.459 1.00 0.00 O ATOM 1768 CB ILE A 112 -1.719 -7.130 -4.623 1.00 0.00 C ATOM 1769 CG1 ILE A 112 -1.340 -5.783 -5.244 1.00 0.00 C ATOM 1770 CG2 ILE A 112 -0.523 -8.070 -4.620 1.00 0.00 C ATOM 1771 CD1 ILE A 112 -2.160 -4.628 -4.716 1.00 0.00 C ATOM 0 H ILE A 112 -1.586 -7.904 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.207 -8.666 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.028 -6.951 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.285 -5.587 -5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.463 -5.842 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.304 -7.605 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.795 -9.003 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.220 -8.276 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.840 -3.704 -5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.214 -4.802 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.018 -4.543 -3.639 1.00 0.00 H new ATOM 1783 N LEU A 113 -4.258 -6.164 -6.596 1.00 0.00 N ATOM 1784 CA LEU A 113 -5.350 -5.218 -6.784 1.00 0.00 C ATOM 1785 C LEU A 113 -6.687 -5.948 -6.789 1.00 0.00 C ATOM 1786 O LEU A 113 -7.694 -5.427 -6.308 1.00 0.00 O ATOM 1787 CB LEU A 113 -5.168 -4.447 -8.094 1.00 0.00 C ATOM 1788 CG LEU A 113 -4.518 -3.070 -7.952 1.00 0.00 C ATOM 1789 CD1 LEU A 113 -4.457 -2.368 -9.299 1.00 0.00 C ATOM 1790 CD2 LEU A 113 -5.279 -2.225 -6.942 1.00 0.00 C ATOM 0 H LEU A 113 -3.664 -6.291 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.339 -4.509 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.562 -5.049 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.144 -4.324 -8.564 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.499 -3.205 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.992 -1.390 -9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.869 -2.966 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.467 -2.244 -9.691 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.803 -1.248 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.309 -2.098 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.271 -2.722 -5.972 1.00 0.00 H new ATOM 1802 N GLU A 114 -6.689 -7.163 -7.333 1.00 0.00 N ATOM 1803 CA GLU A 114 -7.903 -7.967 -7.394 1.00 0.00 C ATOM 1804 C GLU A 114 -8.454 -8.232 -5.996 1.00 0.00 C ATOM 1805 O GLU A 114 -9.639 -8.525 -5.832 1.00 0.00 O ATOM 1806 CB GLU A 114 -7.625 -9.293 -8.105 1.00 0.00 C ATOM 1807 CG GLU A 114 -8.851 -10.180 -8.240 1.00 0.00 C ATOM 1808 CD GLU A 114 -8.855 -10.979 -9.529 1.00 0.00 C ATOM 1809 OE1 GLU A 114 -8.910 -10.359 -10.611 1.00 0.00 O ATOM 1810 OE2 GLU A 114 -8.799 -12.224 -9.455 1.00 0.00 O ATOM 0 H GLU A 114 -5.865 -7.609 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.650 -7.408 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.225 -9.086 -9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.854 -9.835 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.895 -10.864 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -9.748 -9.562 -8.197 1.00 0.00 H new ATOM 1817 N VAL A 115 -7.589 -8.129 -4.990 1.00 0.00 N ATOM 1818 CA VAL A 115 -7.992 -8.360 -3.607 1.00 0.00 C ATOM 1819 C VAL A 115 -8.823 -7.198 -3.072 1.00 0.00 C ATOM 1820 O VAL A 115 -9.952 -7.388 -2.621 1.00 0.00 O ATOM 1821 CB VAL A 115 -6.769 -8.566 -2.695 1.00 0.00 C ATOM 1822 CG1 VAL A 115 -7.207 -8.978 -1.298 1.00 0.00 C ATOM 1823 CG2 VAL A 115 -5.825 -9.601 -3.291 1.00 0.00 C ATOM 0 H VAL A 115 -6.605 -7.887 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.598 -9.266 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.233 -7.620 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.329 -9.119 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.839 -8.200 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.768 -9.911 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.967 -9.733 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.348 -10.551 -3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.483 -9.261 -4.269 1.00 0.00 H new ATOM 1833 N SER A 116 -8.258 -5.995 -3.127 1.00 0.00 N ATOM 1834 CA SER A 116 -8.951 -4.801 -2.648 1.00 0.00 C ATOM 1835 C SER A 116 -10.343 -4.698 -3.262 1.00 0.00 C ATOM 1836 O SER A 116 -11.330 -4.481 -2.560 1.00 0.00 O ATOM 1837 CB SER A 116 -8.144 -3.546 -2.986 1.00 0.00 C ATOM 1838 OG SER A 116 -8.225 -2.591 -1.943 1.00 0.00 O ATOM 0 H SER A 116 -7.324 -5.820 -3.498 1.00 0.00 H new ATOM 0 HA SER A 116 -9.052 -4.882 -1.566 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.102 -3.815 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.516 -3.109 -3.913 1.00 0.00 H new ATOM 0 HG SER A 116 -7.700 -1.799 -2.183 1.00 0.00 H new ATOM 1844 N GLY A 117 -10.408 -4.862 -4.576 1.00 0.00 N ATOM 1845 CA GLY A 117 -11.681 -4.790 -5.272 1.00 0.00 C ATOM 1846 C GLY A 117 -11.718 -3.692 -6.318 1.00 0.00 C ATOM 1847 O GLY A 117 -12.794 -3.246 -6.718 1.00 0.00 O ATOM 0 H GLY A 117 -9.602 -5.044 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.883 -5.748 -5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.477 -4.622 -4.547 1.00 0.00 H new ATOM 1851 N LEU A 118 -10.545 -3.256 -6.767 1.00 0.00 N ATOM 1852 CA LEU A 118 -10.460 -2.206 -7.775 1.00 0.00 C ATOM 1853 C LEU A 118 -10.613 -2.790 -9.177 1.00 0.00 C ATOM 1854 O LEU A 118 -11.071 -2.113 -10.096 1.00 0.00 O ATOM 1855 CB LEU A 118 -9.125 -1.458 -7.665 1.00 0.00 C ATOM 1856 CG LEU A 118 -8.528 -1.371 -6.255 1.00 0.00 C ATOM 1857 CD1 LEU A 118 -7.438 -0.312 -6.206 1.00 0.00 C ATOM 1858 CD2 LEU A 118 -9.609 -1.068 -5.227 1.00 0.00 C ATOM 0 H LEU A 118 -9.643 -3.612 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.274 -1.503 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.401 -1.946 -8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.264 -0.446 -8.044 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.087 -2.338 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.024 -0.262 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.648 -0.570 -6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.860 0.657 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.162 -1.011 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.082 -0.116 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.358 -1.860 -5.242 1.00 0.00 H new ATOM 1870 N LEU A 119 -10.228 -4.054 -9.330 1.00 0.00 N ATOM 1871 CA LEU A 119 -10.323 -4.733 -10.617 1.00 0.00 C ATOM 1872 C LEU A 119 -11.455 -5.756 -10.608 1.00 0.00 C ATOM 1873 O LEU A 119 -12.207 -5.875 -11.575 1.00 0.00 O ATOM 1874 CB LEU A 119 -8.996 -5.417 -10.954 1.00 0.00 C ATOM 1875 CG LEU A 119 -8.272 -4.854 -12.178 1.00 0.00 C ATOM 1876 CD1 LEU A 119 -6.885 -5.468 -12.306 1.00 0.00 C ATOM 1877 CD2 LEU A 119 -9.086 -5.103 -13.439 1.00 0.00 C ATOM 0 H LEU A 119 -9.847 -4.628 -8.578 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.541 -3.987 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.335 -5.339 -10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.183 -6.478 -11.117 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.160 -3.778 -12.048 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.384 -5.056 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.302 -5.239 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.974 -6.549 -12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.556 -4.696 -14.300 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.229 -6.175 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.057 -4.616 -13.347 1.00 0.00 H new ATOM 1889 N GLY A 120 -11.568 -6.493 -9.507 1.00 0.00 N ATOM 1890 CA GLY A 120 -12.609 -7.497 -9.392 1.00 0.00 C ATOM 1891 C GLY A 120 -12.890 -7.878 -7.952 1.00 0.00 C ATOM 1892 O GLY A 120 -11.970 -7.763 -7.116 1.00 0.00 O ATOM 1893 OXT GLY A 120 -14.033 -8.291 -7.659 1.00 0.00 O ATOM 0 H GLY A 120 -10.958 -6.413 -8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -13.524 -7.122 -9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -12.315 -8.386 -9.949 1.00 0.00 H new