USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 486 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 36 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00184) USER MOD Single : A 9 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.403 USER MOD Single : A 23 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-2.6!) USER MOD Single : A 28 SER OG : rot -169:sc= 0.379 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -164:sc= -7.26! (180deg=-9.27!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -84:sc= -0.767 USER MOD Single : A 52 THR OG1 : rot 26:sc= 0.795! USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 0.986 (180deg=0.523) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 61:sc= -0.19! USER MOD Single : A 61 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -0.943 (180deg=-2.39!) USER MOD Single : A 67 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 9.607 -13.778 -14.645 1.00 0.00 N ATOM 2 CA GLN A 9 10.655 -14.799 -14.925 1.00 0.00 C ATOM 3 C GLN A 9 12.025 -14.246 -14.526 1.00 0.00 C ATOM 4 O GLN A 9 12.430 -14.331 -13.384 1.00 0.00 O ATOM 5 CB GLN A 9 10.653 -15.135 -16.418 1.00 0.00 C ATOM 6 CG GLN A 9 9.321 -15.787 -16.792 1.00 0.00 C ATOM 7 CD GLN A 9 9.537 -17.280 -17.042 1.00 0.00 C ATOM 8 OE1 GLN A 9 10.622 -17.700 -17.394 1.00 0.00 O ATOM 9 NE2 GLN A 9 8.542 -18.108 -16.871 1.00 0.00 N ATOM 0 HA GLN A 9 10.447 -15.701 -14.350 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.805 -14.230 -17.006 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.478 -15.808 -16.651 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.596 -15.643 -15.991 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.910 -15.314 -17.684 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.631 -17.757 -16.576 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.676 -19.106 -17.033 1.00 0.00 H new ATOM 18 N GLY A 10 12.744 -13.679 -15.457 1.00 0.00 N ATOM 19 CA GLY A 10 14.085 -13.122 -15.126 1.00 0.00 C ATOM 20 C GLY A 10 15.169 -14.120 -15.537 1.00 0.00 C ATOM 21 O GLY A 10 15.342 -15.152 -14.920 1.00 0.00 O ATOM 0 H GLY A 10 12.460 -13.578 -16.431 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.234 -12.174 -15.643 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.151 -12.917 -14.058 1.00 0.00 H new ATOM 25 N ASP A 11 15.901 -13.821 -16.575 1.00 0.00 N ATOM 26 CA ASP A 11 16.975 -14.752 -17.023 1.00 0.00 C ATOM 27 C ASP A 11 18.318 -14.021 -17.012 1.00 0.00 C ATOM 28 O ASP A 11 18.380 -12.818 -17.168 1.00 0.00 O ATOM 29 CB ASP A 11 16.668 -15.240 -18.441 1.00 0.00 C ATOM 30 CG ASP A 11 15.924 -16.576 -18.370 1.00 0.00 C ATOM 31 OD1 ASP A 11 16.066 -17.257 -17.368 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.226 -16.893 -19.319 1.00 0.00 O ATOM 0 H ASP A 11 15.802 -12.972 -17.132 1.00 0.00 H new ATOM 0 HA ASP A 11 17.022 -15.607 -16.348 1.00 0.00 H new ATOM 0 HB2 ASP A 11 16.063 -14.502 -18.968 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.593 -15.356 -19.006 1.00 0.00 H new ATOM 37 N ILE A 12 19.396 -14.735 -16.833 1.00 0.00 N ATOM 38 CA ILE A 12 20.730 -14.073 -16.815 1.00 0.00 C ATOM 39 C ILE A 12 21.465 -14.378 -18.122 1.00 0.00 C ATOM 40 O ILE A 12 21.566 -15.514 -18.539 1.00 0.00 O ATOM 41 CB ILE A 12 21.548 -14.591 -15.631 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.856 -14.201 -14.322 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.948 -13.977 -15.670 1.00 0.00 C ATOM 44 CD1 ILE A 12 20.987 -12.693 -14.106 1.00 0.00 C ATOM 0 H ILE A 12 19.410 -15.746 -16.699 1.00 0.00 H new ATOM 0 HA ILE A 12 20.599 -12.996 -16.714 1.00 0.00 H new ATOM 0 HB ILE A 12 21.626 -15.677 -15.691 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.804 -14.484 -14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.304 -14.739 -13.487 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.531 -14.346 -14.826 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.441 -14.255 -16.601 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.871 -12.891 -15.610 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.495 -12.415 -13.174 1.00 0.00 H new ATOM 0 HD12 ILE A 12 22.042 -12.423 -14.054 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.518 -12.164 -14.936 1.00 0.00 H new ATOM 56 N VAL A 13 21.971 -13.368 -18.773 1.00 0.00 N ATOM 57 CA VAL A 13 22.693 -13.587 -20.056 1.00 0.00 C ATOM 58 C VAL A 13 24.042 -12.876 -19.994 1.00 0.00 C ATOM 59 O VAL A 13 24.209 -11.913 -19.273 1.00 0.00 O ATOM 60 CB VAL A 13 21.867 -13.000 -21.204 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.843 -14.033 -21.677 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.136 -11.747 -20.718 1.00 0.00 C ATOM 0 H VAL A 13 21.915 -12.396 -18.470 1.00 0.00 H new ATOM 0 HA VAL A 13 22.844 -14.654 -20.220 1.00 0.00 H new ATOM 0 HB VAL A 13 22.529 -12.739 -22.030 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.255 -13.615 -22.494 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.361 -14.927 -22.023 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.182 -14.294 -20.851 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.548 -11.329 -21.535 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.475 -12.009 -19.892 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.864 -11.009 -20.380 1.00 0.00 H new ATOM 72 N VAL A 14 25.007 -13.322 -20.748 1.00 0.00 N ATOM 73 CA VAL A 14 26.326 -12.633 -20.712 1.00 0.00 C ATOM 74 C VAL A 14 26.556 -11.932 -22.050 1.00 0.00 C ATOM 75 O VAL A 14 26.335 -12.494 -23.105 1.00 0.00 O ATOM 76 CB VAL A 14 27.446 -13.638 -20.441 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.539 -14.624 -21.607 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.775 -12.894 -20.296 1.00 0.00 C ATOM 0 H VAL A 14 24.942 -14.121 -21.378 1.00 0.00 H new ATOM 0 HA VAL A 14 26.329 -11.897 -19.908 1.00 0.00 H new ATOM 0 HB VAL A 14 27.231 -14.182 -19.521 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.337 -15.341 -21.415 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.592 -15.154 -21.711 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.754 -14.080 -22.527 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.574 -13.610 -20.103 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.990 -12.350 -21.216 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.710 -12.191 -19.466 1.00 0.00 H new ATOM 88 N ALA A 15 26.986 -10.704 -22.012 1.00 0.00 N ATOM 89 CA ALA A 15 27.218 -9.951 -23.273 1.00 0.00 C ATOM 90 C ALA A 15 28.209 -10.703 -24.161 1.00 0.00 C ATOM 91 O ALA A 15 29.360 -10.880 -23.818 1.00 0.00 O ATOM 92 CB ALA A 15 27.784 -8.569 -22.942 1.00 0.00 C ATOM 0 H ALA A 15 27.188 -10.187 -21.157 1.00 0.00 H new ATOM 0 HA ALA A 15 26.272 -9.847 -23.804 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.955 -8.015 -23.865 1.00 0.00 H new ATOM 0 HB2 ALA A 15 27.074 -8.025 -22.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.727 -8.681 -22.406 1.00 0.00 H new ATOM 98 N LEU A 16 27.772 -11.120 -25.317 1.00 0.00 N ATOM 99 CA LEU A 16 28.688 -11.831 -26.246 1.00 0.00 C ATOM 100 C LEU A 16 29.361 -10.782 -27.124 1.00 0.00 C ATOM 101 O LEU A 16 30.461 -10.960 -27.602 1.00 0.00 O ATOM 102 CB LEU A 16 27.890 -12.794 -27.126 1.00 0.00 C ATOM 103 CG LEU A 16 27.653 -14.100 -26.368 1.00 0.00 C ATOM 104 CD1 LEU A 16 26.469 -14.839 -26.994 1.00 0.00 C ATOM 105 CD2 LEU A 16 28.905 -14.976 -26.451 1.00 0.00 C ATOM 0 H LEU A 16 26.818 -10.998 -25.657 1.00 0.00 H new ATOM 0 HA LEU A 16 29.429 -12.402 -25.687 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.937 -12.344 -27.404 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.431 -12.991 -28.051 1.00 0.00 H new ATOM 0 HG LEU A 16 27.436 -13.881 -25.323 1.00 0.00 H new ATOM 0 HD11 LEU A 16 26.297 -15.771 -26.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 25.577 -14.215 -26.934 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.688 -15.058 -28.039 1.00 0.00 H new ATOM 0 HD21 LEU A 16 28.734 -15.907 -25.910 1.00 0.00 H new ATOM 0 HD22 LEU A 16 29.125 -15.198 -27.495 1.00 0.00 H new ATOM 0 HD23 LEU A 16 29.749 -14.448 -26.007 1.00 0.00 H new ATOM 117 N TYR A 17 28.689 -9.687 -27.337 1.00 0.00 N ATOM 118 CA TYR A 17 29.260 -8.605 -28.180 1.00 0.00 C ATOM 119 C TYR A 17 28.971 -7.254 -27.520 1.00 0.00 C ATOM 120 O TYR A 17 27.896 -7.028 -27.002 1.00 0.00 O ATOM 121 CB TYR A 17 28.598 -8.642 -29.559 1.00 0.00 C ATOM 122 CG TYR A 17 29.312 -9.648 -30.431 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.481 -9.282 -31.109 1.00 0.00 C ATOM 124 CD2 TYR A 17 28.803 -10.945 -30.563 1.00 0.00 C ATOM 125 CE1 TYR A 17 31.142 -10.215 -31.917 1.00 0.00 C ATOM 126 CE2 TYR A 17 29.464 -11.878 -31.371 1.00 0.00 C ATOM 127 CZ TYR A 17 30.633 -11.513 -32.049 1.00 0.00 C ATOM 128 OH TYR A 17 31.284 -12.432 -32.846 1.00 0.00 O ATOM 0 H TYR A 17 27.761 -9.495 -26.960 1.00 0.00 H new ATOM 0 HA TYR A 17 30.336 -8.744 -28.284 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.546 -8.910 -29.462 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.635 -7.654 -30.019 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.873 -8.281 -31.009 1.00 0.00 H new ATOM 0 HD2 TYR A 17 27.900 -11.226 -30.041 1.00 0.00 H new ATOM 0 HE1 TYR A 17 32.045 -9.934 -32.439 1.00 0.00 H new ATOM 0 HE2 TYR A 17 29.072 -12.879 -31.471 1.00 0.00 H new ATOM 0 HH TYR A 17 30.799 -13.284 -32.826 1.00 0.00 H new ATOM 138 N PRO A 18 29.943 -6.335 -27.556 1.00 0.00 N ATOM 139 CA PRO A 18 29.792 -4.991 -26.979 1.00 0.00 C ATOM 140 C PRO A 18 28.637 -4.226 -27.633 1.00 0.00 C ATOM 141 O PRO A 18 28.410 -4.320 -28.824 1.00 0.00 O ATOM 142 CB PRO A 18 31.137 -4.325 -27.292 1.00 0.00 C ATOM 143 CG PRO A 18 31.654 -5.094 -28.458 1.00 0.00 C ATOM 144 CD PRO A 18 31.267 -6.514 -28.165 1.00 0.00 C ATOM 0 HA PRO A 18 29.557 -5.011 -25.915 1.00 0.00 H new ATOM 0 HB2 PRO A 18 31.014 -3.269 -27.533 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.818 -4.381 -26.443 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.213 -4.746 -29.392 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.734 -4.988 -28.557 1.00 0.00 H new ATOM 0 HD2 PRO A 18 31.224 -7.123 -29.068 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.969 -6.999 -27.487 1.00 0.00 H new ATOM 152 N TYR A 19 27.897 -3.481 -26.859 1.00 0.00 N ATOM 153 CA TYR A 19 26.746 -2.724 -27.427 1.00 0.00 C ATOM 154 C TYR A 19 26.778 -1.282 -26.923 1.00 0.00 C ATOM 155 O TYR A 19 26.775 -1.033 -25.734 1.00 0.00 O ATOM 156 CB TYR A 19 25.442 -3.381 -26.971 1.00 0.00 C ATOM 157 CG TYR A 19 24.285 -2.832 -27.773 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.656 -1.643 -27.378 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.836 -3.515 -28.909 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.582 -1.138 -28.121 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.762 -3.011 -29.652 1.00 0.00 C ATOM 162 CZ TYR A 19 22.135 -1.822 -29.258 1.00 0.00 C ATOM 163 OH TYR A 19 21.076 -1.325 -29.990 1.00 0.00 O ATOM 0 H TYR A 19 28.040 -3.364 -25.856 1.00 0.00 H new ATOM 0 HA TYR A 19 26.810 -2.731 -28.515 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.505 -4.462 -27.098 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.282 -3.194 -25.909 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.000 -1.116 -26.500 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.319 -4.432 -29.213 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.099 -0.221 -27.817 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.417 -3.539 -30.529 1.00 0.00 H new ATOM 0 HH TYR A 19 20.894 -1.920 -30.747 1.00 0.00 H new ATOM 173 N ASP A 20 26.794 -0.328 -27.810 1.00 0.00 N ATOM 174 CA ASP A 20 26.805 1.091 -27.361 1.00 0.00 C ATOM 175 C ASP A 20 25.399 1.666 -27.528 1.00 0.00 C ATOM 176 O ASP A 20 24.929 1.868 -28.628 1.00 0.00 O ATOM 177 CB ASP A 20 27.803 1.898 -28.194 1.00 0.00 C ATOM 178 CG ASP A 20 27.885 3.325 -27.648 1.00 0.00 C ATOM 179 OD1 ASP A 20 26.898 4.034 -27.748 1.00 0.00 O ATOM 180 OD2 ASP A 20 28.935 3.684 -27.139 1.00 0.00 O ATOM 0 H ASP A 20 26.800 -0.468 -28.820 1.00 0.00 H new ATOM 0 HA ASP A 20 27.106 1.145 -26.315 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.786 1.427 -28.161 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.492 1.914 -29.239 1.00 0.00 H new ATOM 185 N GLY A 21 24.726 1.910 -26.434 1.00 0.00 N ATOM 186 CA GLY A 21 23.338 2.457 -26.491 1.00 0.00 C ATOM 187 C GLY A 21 23.125 3.262 -27.773 1.00 0.00 C ATOM 188 O GLY A 21 23.327 4.460 -27.806 1.00 0.00 O ATOM 0 H GLY A 21 25.084 1.752 -25.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.618 1.640 -26.445 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.156 3.091 -25.623 1.00 0.00 H new ATOM 192 N ILE A 22 22.704 2.618 -28.828 1.00 0.00 N ATOM 193 CA ILE A 22 22.465 3.354 -30.100 1.00 0.00 C ATOM 194 C ILE A 22 21.026 3.871 -30.093 1.00 0.00 C ATOM 195 O ILE A 22 20.650 4.718 -30.878 1.00 0.00 O ATOM 196 CB ILE A 22 22.669 2.413 -31.289 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.011 1.691 -31.145 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.660 3.223 -32.587 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.280 0.857 -32.400 1.00 0.00 C ATOM 0 H ILE A 22 22.516 1.616 -28.863 1.00 0.00 H new ATOM 0 HA ILE A 22 23.163 4.186 -30.188 1.00 0.00 H new ATOM 0 HB ILE A 22 21.864 1.679 -31.314 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.812 2.416 -30.999 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.998 1.049 -30.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.805 2.553 -33.435 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.704 3.736 -32.689 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.465 3.958 -32.563 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.236 0.343 -32.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.485 0.122 -32.526 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.312 1.511 -33.272 1.00 0.00 H new ATOM 211 N HIS A 23 20.223 3.359 -29.200 1.00 0.00 N ATOM 212 CA HIS A 23 18.806 3.805 -29.113 1.00 0.00 C ATOM 213 C HIS A 23 18.591 4.523 -27.781 1.00 0.00 C ATOM 214 O HIS A 23 19.483 4.606 -26.961 1.00 0.00 O ATOM 215 CB HIS A 23 17.885 2.585 -29.185 1.00 0.00 C ATOM 216 CG HIS A 23 17.076 2.641 -30.452 1.00 0.00 C ATOM 217 ND1 HIS A 23 17.529 3.290 -31.590 1.00 0.00 N ATOM 218 CD2 HIS A 23 15.843 2.132 -30.776 1.00 0.00 C ATOM 219 CE1 HIS A 23 16.582 3.157 -32.536 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.532 2.460 -32.092 1.00 0.00 N ATOM 0 H HIS A 23 20.492 2.645 -28.523 1.00 0.00 H new ATOM 0 HA HIS A 23 18.580 4.481 -29.938 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.475 1.669 -29.158 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.223 2.564 -28.319 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.210 1.563 -30.111 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.661 3.564 -33.533 1.00 0.00 H new ATOM 0 HE2 HIS A 23 14.685 2.220 -32.607 1.00 0.00 H new ATOM 228 N PRO A 24 17.381 5.054 -27.564 1.00 0.00 N ATOM 229 CA PRO A 24 17.044 5.767 -26.328 1.00 0.00 C ATOM 230 C PRO A 24 16.898 4.816 -25.136 1.00 0.00 C ATOM 231 O PRO A 24 17.179 5.173 -24.009 1.00 0.00 O ATOM 232 CB PRO A 24 15.698 6.416 -26.645 1.00 0.00 C ATOM 233 CG PRO A 24 15.102 5.557 -27.711 1.00 0.00 C ATOM 234 CD PRO A 24 16.251 5.000 -28.507 1.00 0.00 C ATOM 0 HA PRO A 24 17.821 6.477 -26.045 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.059 6.452 -25.763 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.825 7.442 -26.989 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.508 4.754 -27.274 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.435 6.137 -28.348 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.053 3.981 -28.838 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.445 5.593 -29.401 1.00 0.00 H new ATOM 242 N ASP A 25 16.451 3.614 -25.371 1.00 0.00 N ATOM 243 CA ASP A 25 16.275 2.651 -24.246 1.00 0.00 C ATOM 244 C ASP A 25 17.283 1.504 -24.364 1.00 0.00 C ATOM 245 O ASP A 25 17.421 0.698 -23.465 1.00 0.00 O ATOM 246 CB ASP A 25 14.857 2.079 -24.291 1.00 0.00 C ATOM 247 CG ASP A 25 13.878 3.091 -23.693 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.249 4.248 -23.579 1.00 0.00 O ATOM 249 OD2 ASP A 25 12.775 2.692 -23.359 1.00 0.00 O ATOM 0 H ASP A 25 16.200 3.256 -26.292 1.00 0.00 H new ATOM 0 HA ASP A 25 16.440 3.173 -23.304 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.578 1.852 -25.320 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.814 1.143 -23.735 1.00 0.00 H new ATOM 254 N ASP A 26 17.982 1.410 -25.462 1.00 0.00 N ATOM 255 CA ASP A 26 18.965 0.301 -25.621 1.00 0.00 C ATOM 256 C ASP A 26 20.027 0.390 -24.525 1.00 0.00 C ATOM 257 O ASP A 26 20.715 1.384 -24.399 1.00 0.00 O ATOM 258 CB ASP A 26 19.647 0.417 -26.985 1.00 0.00 C ATOM 259 CG ASP A 26 19.150 -0.706 -27.899 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.285 -1.857 -27.519 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.641 -0.394 -28.964 1.00 0.00 O ATOM 0 H ASP A 26 17.916 2.050 -26.253 1.00 0.00 H new ATOM 0 HA ASP A 26 18.442 -0.653 -25.547 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.429 1.387 -27.431 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.729 0.355 -26.869 1.00 0.00 H new ATOM 266 N LEU A 27 20.185 -0.639 -23.738 1.00 0.00 N ATOM 267 CA LEU A 27 21.221 -0.597 -22.669 1.00 0.00 C ATOM 268 C LEU A 27 22.559 -1.031 -23.275 1.00 0.00 C ATOM 269 O LEU A 27 22.632 -1.988 -24.021 1.00 0.00 O ATOM 270 CB LEU A 27 20.806 -1.531 -21.521 1.00 0.00 C ATOM 271 CG LEU A 27 22.028 -1.970 -20.710 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.792 -3.054 -21.472 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.940 -0.768 -20.462 1.00 0.00 C ATOM 0 H LEU A 27 19.644 -1.502 -23.789 1.00 0.00 H new ATOM 0 HA LEU A 27 21.322 0.411 -22.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.096 -1.021 -20.870 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.297 -2.407 -21.924 1.00 0.00 H new ATOM 0 HG LEU A 27 21.699 -2.373 -19.752 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.661 -3.363 -20.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.140 -3.912 -21.635 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.120 -2.660 -22.434 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.809 -1.084 -19.885 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.268 -0.357 -21.417 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.394 -0.005 -19.908 1.00 0.00 H new ATOM 285 N SER A 28 23.615 -0.325 -22.977 1.00 0.00 N ATOM 286 CA SER A 28 24.944 -0.681 -23.551 1.00 0.00 C ATOM 287 C SER A 28 25.621 -1.765 -22.708 1.00 0.00 C ATOM 288 O SER A 28 25.638 -1.705 -21.495 1.00 0.00 O ATOM 289 CB SER A 28 25.831 0.567 -23.564 1.00 0.00 C ATOM 290 OG SER A 28 25.068 1.685 -23.996 1.00 0.00 O ATOM 0 H SER A 28 23.615 0.486 -22.358 1.00 0.00 H new ATOM 0 HA SER A 28 24.802 -1.059 -24.564 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.233 0.751 -22.568 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.682 0.415 -24.228 1.00 0.00 H new ATOM 0 HG SER A 28 25.666 2.441 -24.172 1.00 0.00 H new ATOM 296 N PHE A 29 26.208 -2.740 -23.346 1.00 0.00 N ATOM 297 CA PHE A 29 26.914 -3.809 -22.587 1.00 0.00 C ATOM 298 C PHE A 29 28.222 -4.142 -23.308 1.00 0.00 C ATOM 299 O PHE A 29 28.312 -4.059 -24.517 1.00 0.00 O ATOM 300 CB PHE A 29 26.036 -5.063 -22.475 1.00 0.00 C ATOM 301 CG PHE A 29 25.353 -5.366 -23.789 1.00 0.00 C ATOM 302 CD1 PHE A 29 25.983 -6.183 -24.736 1.00 0.00 C ATOM 303 CD2 PHE A 29 24.077 -4.850 -24.049 1.00 0.00 C ATOM 304 CE1 PHE A 29 25.337 -6.485 -25.941 1.00 0.00 C ATOM 305 CE2 PHE A 29 23.434 -5.149 -25.257 1.00 0.00 C ATOM 306 CZ PHE A 29 24.062 -5.967 -26.203 1.00 0.00 C ATOM 0 H PHE A 29 26.229 -2.842 -24.361 1.00 0.00 H new ATOM 0 HA PHE A 29 27.127 -3.457 -21.578 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.648 -5.914 -22.174 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.287 -4.918 -21.697 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.967 -6.580 -24.537 1.00 0.00 H new ATOM 0 HD2 PHE A 29 23.589 -4.222 -23.318 1.00 0.00 H new ATOM 0 HE1 PHE A 29 25.822 -7.118 -26.669 1.00 0.00 H new ATOM 0 HE2 PHE A 29 22.452 -4.748 -25.459 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.565 -6.199 -27.133 1.00 0.00 H new ATOM 316 N LYS A 30 29.241 -4.503 -22.579 1.00 0.00 N ATOM 317 CA LYS A 30 30.544 -4.820 -23.228 1.00 0.00 C ATOM 318 C LYS A 30 30.797 -6.325 -23.168 1.00 0.00 C ATOM 319 O LYS A 30 30.420 -6.985 -22.221 1.00 0.00 O ATOM 320 CB LYS A 30 31.666 -4.094 -22.483 1.00 0.00 C ATOM 321 CG LYS A 30 31.706 -4.572 -21.031 1.00 0.00 C ATOM 322 CD LYS A 30 32.938 -3.991 -20.334 1.00 0.00 C ATOM 323 CE LYS A 30 33.051 -4.576 -18.925 1.00 0.00 C ATOM 324 NZ LYS A 30 34.478 -4.884 -18.627 1.00 0.00 N ATOM 0 H LYS A 30 29.228 -4.592 -21.563 1.00 0.00 H new ATOM 0 HA LYS A 30 30.518 -4.497 -24.269 1.00 0.00 H new ATOM 0 HB2 LYS A 30 32.623 -4.287 -22.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 31.503 -3.017 -22.518 1.00 0.00 H new ATOM 0 HG2 LYS A 30 30.800 -4.261 -20.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.736 -5.661 -20.997 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.836 -4.221 -20.908 1.00 0.00 H new ATOM 0 HD3 LYS A 30 32.862 -2.905 -20.283 1.00 0.00 H new ATOM 0 HE2 LYS A 30 32.660 -3.868 -18.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 32.449 -5.481 -18.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 34.555 -5.282 -17.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 34.836 -5.574 -19.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 35.041 -4.012 -18.686 1.00 0.00 H new ATOM 338 N LYS A 31 31.442 -6.874 -24.160 1.00 0.00 N ATOM 339 CA LYS A 31 31.718 -8.334 -24.124 1.00 0.00 C ATOM 340 C LYS A 31 32.251 -8.701 -22.744 1.00 0.00 C ATOM 341 O LYS A 31 32.838 -7.894 -22.049 1.00 0.00 O ATOM 342 CB LYS A 31 32.764 -8.717 -25.163 1.00 0.00 C ATOM 343 CG LYS A 31 32.095 -9.444 -26.326 1.00 0.00 C ATOM 344 CD LYS A 31 32.620 -10.880 -26.386 1.00 0.00 C ATOM 345 CE LYS A 31 33.105 -11.186 -27.804 1.00 0.00 C ATOM 346 NZ LYS A 31 33.124 -12.662 -28.014 1.00 0.00 N ATOM 0 H LYS A 31 31.786 -6.380 -24.984 1.00 0.00 H new ATOM 0 HA LYS A 31 30.792 -8.867 -24.341 1.00 0.00 H new ATOM 0 HB2 LYS A 31 33.274 -7.824 -25.525 1.00 0.00 H new ATOM 0 HB3 LYS A 31 33.522 -9.356 -24.711 1.00 0.00 H new ATOM 0 HG2 LYS A 31 31.013 -9.444 -26.197 1.00 0.00 H new ATOM 0 HG3 LYS A 31 32.304 -8.928 -27.263 1.00 0.00 H new ATOM 0 HD2 LYS A 31 33.436 -11.010 -25.675 1.00 0.00 H new ATOM 0 HD3 LYS A 31 31.833 -11.578 -26.100 1.00 0.00 H new ATOM 0 HE2 LYS A 31 32.449 -10.712 -28.534 1.00 0.00 H new ATOM 0 HE3 LYS A 31 34.102 -10.773 -27.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 33.454 -12.871 -28.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 33.767 -13.102 -27.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 32.165 -13.043 -27.886 1.00 0.00 H new ATOM 360 N GLY A 32 32.031 -9.916 -22.342 1.00 0.00 N ATOM 361 CA GLY A 32 32.499 -10.364 -21.000 1.00 0.00 C ATOM 362 C GLY A 32 31.565 -9.809 -19.915 1.00 0.00 C ATOM 363 O GLY A 32 31.615 -10.219 -18.772 1.00 0.00 O ATOM 0 H GLY A 32 31.543 -10.627 -22.887 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.518 -11.453 -20.955 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.519 -10.020 -20.826 1.00 0.00 H new ATOM 367 N GLU A 33 30.717 -8.874 -20.262 1.00 0.00 N ATOM 368 CA GLU A 33 29.788 -8.289 -19.250 1.00 0.00 C ATOM 369 C GLU A 33 28.547 -9.175 -19.099 1.00 0.00 C ATOM 370 O GLU A 33 28.106 -9.814 -20.033 1.00 0.00 O ATOM 371 CB GLU A 33 29.364 -6.888 -19.695 1.00 0.00 C ATOM 372 CG GLU A 33 28.984 -6.054 -18.469 1.00 0.00 C ATOM 373 CD GLU A 33 27.461 -5.921 -18.395 1.00 0.00 C ATOM 374 OE1 GLU A 33 26.848 -5.764 -19.438 1.00 0.00 O ATOM 375 OE2 GLU A 33 26.935 -5.977 -17.296 1.00 0.00 O ATOM 0 H GLU A 33 30.628 -8.491 -21.203 1.00 0.00 H new ATOM 0 HA GLU A 33 30.301 -8.229 -18.290 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.177 -6.406 -20.238 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.518 -6.953 -20.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 29.363 -6.526 -17.563 1.00 0.00 H new ATOM 0 HG3 GLU A 33 29.443 -5.067 -18.530 1.00 0.00 H new ATOM 382 N LYS A 34 27.986 -9.216 -17.917 1.00 0.00 N ATOM 383 CA LYS A 34 26.775 -10.056 -17.679 1.00 0.00 C ATOM 384 C LYS A 34 25.536 -9.163 -17.595 1.00 0.00 C ATOM 385 O LYS A 34 25.594 -8.036 -17.145 1.00 0.00 O ATOM 386 CB LYS A 34 26.940 -10.825 -16.366 1.00 0.00 C ATOM 387 CG LYS A 34 26.247 -12.185 -16.478 1.00 0.00 C ATOM 388 CD LYS A 34 27.245 -13.223 -16.995 1.00 0.00 C ATOM 389 CE LYS A 34 27.851 -13.982 -15.812 1.00 0.00 C ATOM 390 NZ LYS A 34 29.283 -13.604 -15.660 1.00 0.00 N ATOM 0 H LYS A 34 28.318 -8.700 -17.102 1.00 0.00 H new ATOM 0 HA LYS A 34 26.656 -10.760 -18.503 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.998 -10.962 -16.143 1.00 0.00 H new ATOM 0 HB3 LYS A 34 26.512 -10.254 -15.542 1.00 0.00 H new ATOM 0 HG2 LYS A 34 25.860 -12.489 -15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 34 25.394 -12.116 -17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 34 26.746 -13.918 -17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 34 28.032 -12.733 -17.568 1.00 0.00 H new ATOM 0 HE2 LYS A 34 27.304 -13.750 -14.898 1.00 0.00 H new ATOM 0 HE3 LYS A 34 27.763 -15.057 -15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 29.695 -14.120 -14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 29.800 -13.847 -16.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 29.356 -12.581 -15.489 1.00 0.00 H new ATOM 404 N MET A 35 24.418 -9.665 -18.038 1.00 0.00 N ATOM 405 CA MET A 35 23.160 -8.869 -18.007 1.00 0.00 C ATOM 406 C MET A 35 21.992 -9.758 -17.589 1.00 0.00 C ATOM 407 O MET A 35 22.010 -10.960 -17.766 1.00 0.00 O ATOM 408 CB MET A 35 22.873 -8.321 -19.403 1.00 0.00 C ATOM 409 CG MET A 35 23.429 -6.900 -19.518 1.00 0.00 C ATOM 410 SD MET A 35 23.271 -6.321 -21.226 1.00 0.00 S ATOM 411 CE MET A 35 23.974 -7.782 -22.032 1.00 0.00 C ATOM 0 H MET A 35 24.321 -10.604 -18.425 1.00 0.00 H new ATOM 0 HA MET A 35 23.277 -8.052 -17.295 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.327 -8.963 -20.158 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.799 -8.319 -19.591 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.890 -6.232 -18.846 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.475 -6.882 -19.213 1.00 0.00 H new ATOM 0 HE1 MET A 35 24.237 -7.538 -23.061 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.868 -8.099 -21.495 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.241 -8.589 -22.026 1.00 0.00 H new ATOM 421 N LYS A 36 20.970 -9.163 -17.044 1.00 0.00 N ATOM 422 CA LYS A 36 19.779 -9.945 -16.616 1.00 0.00 C ATOM 423 C LYS A 36 18.548 -9.371 -17.315 1.00 0.00 C ATOM 424 O LYS A 36 18.421 -8.174 -17.474 1.00 0.00 O ATOM 425 CB LYS A 36 19.608 -9.835 -15.099 1.00 0.00 C ATOM 426 CG LYS A 36 18.254 -10.421 -14.695 1.00 0.00 C ATOM 427 CD LYS A 36 17.450 -9.370 -13.928 1.00 0.00 C ATOM 428 CE LYS A 36 17.264 -9.826 -12.480 1.00 0.00 C ATOM 429 NZ LYS A 36 18.116 -8.995 -11.584 1.00 0.00 N ATOM 0 H LYS A 36 20.908 -8.159 -16.875 1.00 0.00 H new ATOM 0 HA LYS A 36 19.905 -10.995 -16.881 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.413 -10.367 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.672 -8.792 -14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.705 -10.739 -15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.399 -11.306 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.967 -8.411 -13.955 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.479 -9.222 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.217 -9.735 -12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.532 -10.878 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.219 -9.470 -10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.054 -8.869 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.671 -8.065 -11.446 1.00 0.00 H new ATOM 443 N VAL A 37 17.645 -10.206 -17.745 1.00 0.00 N ATOM 444 CA VAL A 37 16.435 -9.687 -18.445 1.00 0.00 C ATOM 445 C VAL A 37 15.238 -9.695 -17.496 1.00 0.00 C ATOM 446 O VAL A 37 14.832 -10.725 -16.998 1.00 0.00 O ATOM 447 CB VAL A 37 16.130 -10.568 -19.657 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.234 -9.802 -20.630 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.437 -10.949 -20.355 1.00 0.00 C ATOM 0 H VAL A 37 17.690 -11.220 -17.644 1.00 0.00 H new ATOM 0 HA VAL A 37 16.624 -8.665 -18.773 1.00 0.00 H new ATOM 0 HB VAL A 37 15.619 -11.473 -19.329 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.016 -10.429 -21.494 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.302 -9.534 -20.132 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.744 -8.896 -20.958 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.219 -11.577 -21.219 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.951 -10.046 -20.684 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.074 -11.496 -19.660 1.00 0.00 H new ATOM 459 N LEU A 38 14.668 -8.548 -17.243 1.00 0.00 N ATOM 460 CA LEU A 38 13.496 -8.483 -16.327 1.00 0.00 C ATOM 461 C LEU A 38 12.205 -8.684 -17.122 1.00 0.00 C ATOM 462 O LEU A 38 11.184 -9.056 -16.577 1.00 0.00 O ATOM 463 CB LEU A 38 13.464 -7.115 -15.642 1.00 0.00 C ATOM 464 CG LEU A 38 14.894 -6.622 -15.418 1.00 0.00 C ATOM 465 CD1 LEU A 38 15.248 -5.581 -16.481 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.002 -5.990 -14.030 1.00 0.00 C ATOM 0 H LEU A 38 14.964 -7.653 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 38 13.581 -9.268 -15.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.914 -6.402 -16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.939 -7.186 -14.689 1.00 0.00 H new ATOM 0 HG LEU A 38 15.584 -7.463 -15.490 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.267 -5.230 -16.321 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.170 -6.031 -17.471 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.559 -4.739 -16.410 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.021 -5.638 -13.869 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.312 -5.149 -13.958 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.750 -6.732 -13.272 1.00 0.00 H new ATOM 478 N GLU A 39 12.233 -8.445 -18.407 1.00 0.00 N ATOM 479 CA GLU A 39 10.997 -8.628 -19.218 1.00 0.00 C ATOM 480 C GLU A 39 11.376 -9.067 -20.632 1.00 0.00 C ATOM 481 O GLU A 39 12.318 -8.569 -21.215 1.00 0.00 O ATOM 482 CB GLU A 39 10.229 -7.307 -19.284 1.00 0.00 C ATOM 483 CG GLU A 39 9.189 -7.267 -18.161 1.00 0.00 C ATOM 484 CD GLU A 39 7.988 -6.432 -18.609 1.00 0.00 C ATOM 485 OE1 GLU A 39 7.215 -6.925 -19.413 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.861 -5.313 -18.139 1.00 0.00 O ATOM 0 H GLU A 39 13.054 -8.133 -18.926 1.00 0.00 H new ATOM 0 HA GLU A 39 10.370 -9.390 -18.756 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.918 -6.468 -19.187 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.739 -7.207 -20.252 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.869 -8.279 -17.910 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.627 -6.839 -17.260 1.00 0.00 H new ATOM 493 N GLU A 40 10.645 -9.991 -21.191 1.00 0.00 N ATOM 494 CA GLU A 40 10.962 -10.454 -22.569 1.00 0.00 C ATOM 495 C GLU A 40 9.875 -9.965 -23.525 1.00 0.00 C ATOM 496 O GLU A 40 8.698 -10.050 -23.239 1.00 0.00 O ATOM 497 CB GLU A 40 11.018 -11.983 -22.599 1.00 0.00 C ATOM 498 CG GLU A 40 11.513 -12.445 -23.972 1.00 0.00 C ATOM 499 CD GLU A 40 10.864 -13.786 -24.323 1.00 0.00 C ATOM 500 OE1 GLU A 40 10.331 -14.417 -23.426 1.00 0.00 O ATOM 501 OE2 GLU A 40 10.914 -14.159 -25.484 1.00 0.00 O ATOM 0 H GLU A 40 9.843 -10.444 -20.753 1.00 0.00 H new ATOM 0 HA GLU A 40 11.929 -10.053 -22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.684 -12.349 -21.818 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.031 -12.398 -22.397 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.267 -11.700 -24.729 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.598 -12.545 -23.965 1.00 0.00 H new ATOM 508 N HIS A 41 10.261 -9.456 -24.660 1.00 0.00 N ATOM 509 CA HIS A 41 9.256 -8.963 -25.639 1.00 0.00 C ATOM 510 C HIS A 41 9.372 -9.784 -26.922 1.00 0.00 C ATOM 511 O HIS A 41 9.217 -9.275 -28.015 1.00 0.00 O ATOM 512 CB HIS A 41 9.538 -7.494 -25.947 1.00 0.00 C ATOM 513 CG HIS A 41 8.999 -6.636 -24.835 1.00 0.00 C ATOM 514 ND1 HIS A 41 7.691 -6.181 -24.820 1.00 0.00 N ATOM 515 CD2 HIS A 41 9.582 -6.140 -23.694 1.00 0.00 C ATOM 516 CE1 HIS A 41 7.528 -5.447 -23.704 1.00 0.00 C ATOM 517 NE2 HIS A 41 8.650 -5.390 -22.982 1.00 0.00 N ATOM 0 H HIS A 41 11.233 -9.360 -24.953 1.00 0.00 H new ATOM 0 HA HIS A 41 8.251 -9.063 -25.228 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.611 -7.334 -26.057 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.075 -7.214 -26.893 1.00 0.00 H new ATOM 0 HD2 HIS A 41 10.606 -6.306 -23.395 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.603 -4.963 -23.426 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.793 -4.902 -22.098 1.00 0.00 H new ATOM 525 N GLY A 42 9.655 -11.051 -26.799 1.00 0.00 N ATOM 526 CA GLY A 42 9.794 -11.906 -28.009 1.00 0.00 C ATOM 527 C GLY A 42 11.269 -11.973 -28.405 1.00 0.00 C ATOM 528 O GLY A 42 12.078 -12.578 -27.728 1.00 0.00 O ATOM 0 H GLY A 42 9.796 -11.531 -25.910 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.412 -12.907 -27.808 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.202 -11.498 -28.828 1.00 0.00 H new ATOM 532 N GLU A 43 11.627 -11.362 -29.500 1.00 0.00 N ATOM 533 CA GLU A 43 13.051 -11.394 -29.940 1.00 0.00 C ATOM 534 C GLU A 43 13.838 -10.284 -29.237 1.00 0.00 C ATOM 535 O GLU A 43 15.044 -10.199 -29.355 1.00 0.00 O ATOM 536 CB GLU A 43 13.120 -11.186 -31.453 1.00 0.00 C ATOM 537 CG GLU A 43 12.573 -12.425 -32.164 1.00 0.00 C ATOM 538 CD GLU A 43 12.399 -12.125 -33.655 1.00 0.00 C ATOM 539 OE1 GLU A 43 12.390 -10.956 -34.005 1.00 0.00 O ATOM 540 OE2 GLU A 43 12.278 -13.067 -34.419 1.00 0.00 O ATOM 0 H GLU A 43 10.996 -10.842 -30.109 1.00 0.00 H new ATOM 0 HA GLU A 43 13.485 -12.360 -29.682 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.542 -10.306 -31.737 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.150 -11.003 -31.759 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.254 -13.265 -32.029 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.618 -12.716 -31.727 1.00 0.00 H new ATOM 547 N TRP A 44 13.170 -9.429 -28.509 1.00 0.00 N ATOM 548 CA TRP A 44 13.894 -8.327 -27.810 1.00 0.00 C ATOM 549 C TRP A 44 13.463 -8.267 -26.341 1.00 0.00 C ATOM 550 O TRP A 44 12.314 -8.480 -26.013 1.00 0.00 O ATOM 551 CB TRP A 44 13.569 -6.995 -28.489 1.00 0.00 C ATOM 552 CG TRP A 44 14.469 -6.802 -29.667 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.310 -7.394 -30.872 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.662 -5.971 -29.774 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.328 -6.981 -31.711 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.188 -6.104 -31.081 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.333 -5.125 -28.873 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.337 -5.421 -31.480 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.490 -4.436 -29.271 1.00 0.00 C ATOM 560 CH2 TRP A 44 17.991 -4.584 -30.572 1.00 0.00 C ATOM 0 H TRP A 44 12.160 -9.445 -28.368 1.00 0.00 H new ATOM 0 HA TRP A 44 14.966 -8.515 -27.861 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.527 -6.982 -28.808 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.696 -6.174 -27.783 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.517 -8.078 -31.136 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.431 -7.287 -32.678 1.00 0.00 H new ATOM 0 HE3 TRP A 44 15.956 -5.004 -27.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 17.718 -5.538 -32.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 17.997 -3.788 -28.571 1.00 0.00 H new ATOM 0 HH2 TRP A 44 18.881 -4.052 -30.872 1.00 0.00 H new ATOM 571 N TRP A 45 14.378 -7.969 -25.457 1.00 0.00 N ATOM 572 CA TRP A 45 14.018 -7.884 -24.011 1.00 0.00 C ATOM 573 C TRP A 45 14.769 -6.722 -23.363 1.00 0.00 C ATOM 574 O TRP A 45 15.694 -6.174 -23.929 1.00 0.00 O ATOM 575 CB TRP A 45 14.412 -9.174 -23.289 1.00 0.00 C ATOM 576 CG TRP A 45 14.539 -10.304 -24.258 1.00 0.00 C ATOM 577 CD1 TRP A 45 13.563 -10.735 -25.089 1.00 0.00 C ATOM 578 CD2 TRP A 45 15.690 -11.163 -24.496 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.043 -11.806 -25.823 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.350 -12.105 -25.493 1.00 0.00 C ATOM 581 CE3 TRP A 45 16.985 -11.213 -23.948 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.263 -13.066 -25.930 1.00 0.00 C ATOM 583 CZ3 TRP A 45 17.906 -12.177 -24.387 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.546 -13.102 -25.376 1.00 0.00 C ATOM 0 H TRP A 45 15.357 -7.781 -25.673 1.00 0.00 H new ATOM 0 HA TRP A 45 12.942 -7.732 -23.932 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.357 -9.029 -22.765 1.00 0.00 H new ATOM 0 HB3 TRP A 45 13.664 -9.418 -22.535 1.00 0.00 H new ATOM 0 HD1 TRP A 45 12.572 -10.313 -25.167 1.00 0.00 H new ATOM 0 HE1 TRP A 45 13.498 -12.312 -26.521 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.272 -10.505 -23.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 15.980 -13.778 -26.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.898 -12.206 -23.960 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.259 -13.842 -25.710 1.00 0.00 H new ATOM 595 N LYS A 46 14.397 -6.361 -22.168 1.00 0.00 N ATOM 596 CA LYS A 46 15.108 -5.257 -21.468 1.00 0.00 C ATOM 597 C LYS A 46 15.899 -5.857 -20.306 1.00 0.00 C ATOM 598 O LYS A 46 15.340 -6.423 -19.387 1.00 0.00 O ATOM 599 CB LYS A 46 14.097 -4.239 -20.943 1.00 0.00 C ATOM 600 CG LYS A 46 14.750 -2.857 -20.868 1.00 0.00 C ATOM 601 CD LYS A 46 13.782 -1.869 -20.215 1.00 0.00 C ATOM 602 CE LYS A 46 13.651 -0.625 -21.095 1.00 0.00 C ATOM 603 NZ LYS A 46 12.768 0.369 -20.423 1.00 0.00 N ATOM 0 H LYS A 46 13.630 -6.784 -21.645 1.00 0.00 H new ATOM 0 HA LYS A 46 15.783 -4.749 -22.156 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.226 -4.206 -21.598 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.743 -4.539 -19.957 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.674 -2.911 -20.293 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.016 -2.514 -21.868 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.806 -2.336 -20.079 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.143 -1.591 -19.225 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.634 -0.190 -21.277 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.238 -0.896 -22.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.679 1.215 -21.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.828 -0.048 -20.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.180 0.636 -19.506 1.00 0.00 H new ATOM 617 N ALA A 47 17.197 -5.754 -20.351 1.00 0.00 N ATOM 618 CA ALA A 47 18.028 -6.335 -19.259 1.00 0.00 C ATOM 619 C ALA A 47 18.742 -5.226 -18.489 1.00 0.00 C ATOM 620 O ALA A 47 18.498 -4.053 -18.693 1.00 0.00 O ATOM 621 CB ALA A 47 19.070 -7.280 -19.865 1.00 0.00 C ATOM 0 H ALA A 47 17.719 -5.293 -21.096 1.00 0.00 H new ATOM 0 HA ALA A 47 17.381 -6.883 -18.574 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.680 -7.707 -19.069 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.565 -8.081 -20.405 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.708 -6.725 -20.553 1.00 0.00 H new ATOM 627 N LYS A 48 19.626 -5.594 -17.602 1.00 0.00 N ATOM 628 CA LYS A 48 20.366 -4.571 -16.811 1.00 0.00 C ATOM 629 C LYS A 48 21.813 -5.032 -16.615 1.00 0.00 C ATOM 630 O LYS A 48 22.098 -6.213 -16.597 1.00 0.00 O ATOM 631 CB LYS A 48 19.697 -4.396 -15.447 1.00 0.00 C ATOM 632 CG LYS A 48 20.603 -3.568 -14.534 1.00 0.00 C ATOM 633 CD LYS A 48 20.025 -3.557 -13.117 1.00 0.00 C ATOM 634 CE LYS A 48 19.995 -4.984 -12.566 1.00 0.00 C ATOM 635 NZ LYS A 48 18.586 -5.374 -12.274 1.00 0.00 N ATOM 0 H LYS A 48 19.868 -6.562 -17.391 1.00 0.00 H new ATOM 0 HA LYS A 48 20.354 -3.620 -17.344 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.733 -3.902 -15.564 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.503 -5.370 -14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.609 -3.987 -14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.686 -2.549 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.629 -2.919 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.019 -3.139 -13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.432 -5.673 -13.288 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.597 -5.048 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.570 -6.317 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.163 -4.683 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.041 -5.394 -13.159 1.00 0.00 H new ATOM 649 N SER A 49 22.734 -4.114 -16.482 1.00 0.00 N ATOM 650 CA SER A 49 24.158 -4.516 -16.303 1.00 0.00 C ATOM 651 C SER A 49 24.480 -4.622 -14.812 1.00 0.00 C ATOM 652 O SER A 49 24.256 -3.699 -14.055 1.00 0.00 O ATOM 653 CB SER A 49 25.068 -3.467 -16.946 1.00 0.00 C ATOM 654 OG SER A 49 24.407 -2.210 -16.954 1.00 0.00 O ATOM 0 H SER A 49 22.562 -3.109 -16.490 1.00 0.00 H new ATOM 0 HA SER A 49 24.322 -5.483 -16.778 1.00 0.00 H new ATOM 0 HB2 SER A 49 26.005 -3.394 -16.393 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.321 -3.764 -17.964 1.00 0.00 H new ATOM 0 HG SER A 49 23.821 -2.154 -17.737 1.00 0.00 H new ATOM 660 N LEU A 50 25.002 -5.736 -14.378 1.00 0.00 N ATOM 661 CA LEU A 50 25.329 -5.882 -12.932 1.00 0.00 C ATOM 662 C LEU A 50 26.521 -4.985 -12.589 1.00 0.00 C ATOM 663 O LEU A 50 26.818 -4.740 -11.437 1.00 0.00 O ATOM 664 CB LEU A 50 25.678 -7.340 -12.630 1.00 0.00 C ATOM 665 CG LEU A 50 24.393 -8.121 -12.346 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.495 -9.515 -12.969 1.00 0.00 C ATOM 667 CD2 LEU A 50 24.198 -8.251 -10.834 1.00 0.00 C ATOM 0 H LEU A 50 25.215 -6.547 -14.958 1.00 0.00 H new ATOM 0 HA LEU A 50 24.468 -5.588 -12.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.206 -7.782 -13.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 26.348 -7.395 -11.772 1.00 0.00 H new ATOM 0 HG LEU A 50 23.544 -7.591 -12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.580 -10.072 -12.767 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.633 -9.423 -14.046 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.345 -10.045 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.283 -8.807 -10.632 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.047 -8.780 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.125 -7.258 -10.390 1.00 0.00 H new ATOM 679 N LEU A 51 27.208 -4.496 -13.587 1.00 0.00 N ATOM 680 CA LEU A 51 28.384 -3.616 -13.331 1.00 0.00 C ATOM 681 C LEU A 51 27.907 -2.222 -12.923 1.00 0.00 C ATOM 682 O LEU A 51 28.208 -1.740 -11.850 1.00 0.00 O ATOM 683 CB LEU A 51 29.227 -3.513 -14.604 1.00 0.00 C ATOM 684 CG LEU A 51 30.604 -2.944 -14.259 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.259 -3.810 -13.181 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.482 -2.940 -15.512 1.00 0.00 C ATOM 0 H LEU A 51 27.004 -4.669 -14.571 1.00 0.00 H new ATOM 0 HA LEU A 51 28.984 -4.041 -12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.333 -4.496 -15.064 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.729 -2.873 -15.332 1.00 0.00 H new ATOM 0 HG LEU A 51 30.493 -1.925 -13.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.240 -3.404 -12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.634 -3.814 -12.288 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.370 -4.829 -13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.464 -2.535 -15.267 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.592 -3.959 -15.882 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.016 -2.323 -16.281 1.00 0.00 H new ATOM 698 N THR A 52 27.165 -1.572 -13.772 1.00 0.00 N ATOM 699 CA THR A 52 26.665 -0.208 -13.436 1.00 0.00 C ATOM 700 C THR A 52 25.159 -0.269 -13.171 1.00 0.00 C ATOM 701 O THR A 52 24.518 0.736 -12.935 1.00 0.00 O ATOM 702 CB THR A 52 26.942 0.743 -14.604 1.00 0.00 C ATOM 703 OG1 THR A 52 25.941 1.752 -14.635 1.00 0.00 O ATOM 704 CG2 THR A 52 26.923 -0.037 -15.919 1.00 0.00 C ATOM 0 H THR A 52 26.881 -1.925 -14.686 1.00 0.00 H new ATOM 0 HA THR A 52 27.176 0.157 -12.545 1.00 0.00 H new ATOM 0 HB THR A 52 27.922 1.203 -14.474 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.578 1.881 -13.734 1.00 0.00 H new ATOM 0 HG21 THR A 52 27.120 0.643 -16.748 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.690 -0.811 -15.894 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.945 -0.499 -16.054 1.00 0.00 H new ATOM 712 N LYS A 53 24.592 -1.443 -13.204 1.00 0.00 N ATOM 713 CA LYS A 53 23.130 -1.575 -12.951 1.00 0.00 C ATOM 714 C LYS A 53 22.351 -0.793 -14.005 1.00 0.00 C ATOM 715 O LYS A 53 21.232 -0.376 -13.781 1.00 0.00 O ATOM 716 CB LYS A 53 22.802 -1.020 -11.563 1.00 0.00 C ATOM 717 CG LYS A 53 23.169 -2.057 -10.498 1.00 0.00 C ATOM 718 CD LYS A 53 24.593 -2.558 -10.745 1.00 0.00 C ATOM 719 CE LYS A 53 25.113 -3.254 -9.486 1.00 0.00 C ATOM 720 NZ LYS A 53 25.009 -4.731 -9.657 1.00 0.00 N ATOM 0 H LYS A 53 25.079 -2.318 -13.396 1.00 0.00 H new ATOM 0 HA LYS A 53 22.850 -2.627 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.352 -0.095 -11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.742 -0.777 -11.498 1.00 0.00 H new ATOM 0 HG2 LYS A 53 23.094 -1.616 -9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 53 22.468 -2.891 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 53 24.606 -3.249 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.243 -1.724 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.149 -2.970 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.537 -2.936 -8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.997 -5.189 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.132 -4.961 -10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.826 -5.076 -10.201 1.00 0.00 H new ATOM 734 N LYS A 54 22.924 -0.600 -15.160 1.00 0.00 N ATOM 735 CA LYS A 54 22.204 0.144 -16.227 1.00 0.00 C ATOM 736 C LYS A 54 21.192 -0.797 -16.876 1.00 0.00 C ATOM 737 O LYS A 54 21.461 -1.966 -17.068 1.00 0.00 O ATOM 738 CB LYS A 54 23.206 0.630 -17.276 1.00 0.00 C ATOM 739 CG LYS A 54 22.472 1.436 -18.349 1.00 0.00 C ATOM 740 CD LYS A 54 22.442 2.913 -17.946 1.00 0.00 C ATOM 741 CE LYS A 54 22.807 3.777 -19.154 1.00 0.00 C ATOM 742 NZ LYS A 54 21.561 4.256 -19.817 1.00 0.00 N ATOM 0 H LYS A 54 23.858 -0.925 -15.410 1.00 0.00 H new ATOM 0 HA LYS A 54 21.690 1.006 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 54 23.972 1.245 -16.805 1.00 0.00 H new ATOM 0 HB3 LYS A 54 23.715 -0.221 -17.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.971 1.320 -19.311 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.456 1.060 -18.470 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.451 3.181 -17.579 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.143 3.093 -17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.413 4.626 -18.838 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.408 3.201 -19.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.809 4.844 -20.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.999 3.439 -20.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.004 4.820 -19.144 1.00 0.00 H new ATOM 756 N GLU A 55 20.031 -0.310 -17.214 1.00 0.00 N ATOM 757 CA GLU A 55 19.015 -1.198 -17.844 1.00 0.00 C ATOM 758 C GLU A 55 18.592 -0.617 -19.193 1.00 0.00 C ATOM 759 O GLU A 55 18.539 0.582 -19.376 1.00 0.00 O ATOM 760 CB GLU A 55 17.795 -1.315 -16.928 1.00 0.00 C ATOM 761 CG GLU A 55 17.149 0.062 -16.761 1.00 0.00 C ATOM 762 CD GLU A 55 16.384 0.110 -15.438 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.878 -0.445 -14.470 1.00 0.00 O ATOM 764 OE2 GLU A 55 15.318 0.702 -15.413 1.00 0.00 O ATOM 0 H GLU A 55 19.743 0.659 -17.082 1.00 0.00 H new ATOM 0 HA GLU A 55 19.446 -2.187 -17.997 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.076 -2.017 -17.350 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.093 -1.709 -15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.914 0.839 -16.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.472 0.261 -17.592 1.00 0.00 H new ATOM 771 N GLY A 56 18.296 -1.463 -20.142 1.00 0.00 N ATOM 772 CA GLY A 56 17.886 -0.964 -21.483 1.00 0.00 C ATOM 773 C GLY A 56 17.356 -2.124 -22.318 1.00 0.00 C ATOM 774 O GLY A 56 17.062 -3.187 -21.811 1.00 0.00 O ATOM 0 H GLY A 56 18.321 -2.478 -20.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.118 -0.197 -21.378 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.735 -0.499 -21.985 1.00 0.00 H new ATOM 778 N PHE A 57 17.240 -1.928 -23.597 1.00 0.00 N ATOM 779 CA PHE A 57 16.732 -3.021 -24.470 1.00 0.00 C ATOM 780 C PHE A 57 17.912 -3.779 -25.079 1.00 0.00 C ATOM 781 O PHE A 57 18.857 -3.193 -25.568 1.00 0.00 O ATOM 782 CB PHE A 57 15.861 -2.435 -25.583 1.00 0.00 C ATOM 783 CG PHE A 57 14.406 -2.550 -25.195 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.878 -3.793 -24.825 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.586 -1.416 -25.204 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.530 -3.901 -24.464 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.237 -1.525 -24.844 1.00 0.00 C ATOM 788 CZ PHE A 57 11.710 -2.767 -24.473 1.00 0.00 C ATOM 0 H PHE A 57 17.474 -1.060 -24.078 1.00 0.00 H new ATOM 0 HA PHE A 57 16.131 -3.708 -23.874 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.122 -1.390 -25.752 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.042 -2.964 -26.518 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.511 -4.668 -24.818 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.993 -0.457 -25.488 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.123 -4.860 -24.178 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.603 -0.650 -24.853 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.670 -2.850 -24.194 1.00 0.00 H new ATOM 798 N ILE A 58 17.855 -5.082 -25.053 1.00 0.00 N ATOM 799 CA ILE A 58 18.965 -5.895 -25.632 1.00 0.00 C ATOM 800 C ILE A 58 18.386 -6.876 -26.651 1.00 0.00 C ATOM 801 O ILE A 58 17.319 -7.422 -26.452 1.00 0.00 O ATOM 802 CB ILE A 58 19.659 -6.677 -24.514 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.616 -7.449 -23.703 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.401 -5.704 -23.594 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.296 -8.611 -22.975 1.00 0.00 C ATOM 0 H ILE A 58 17.086 -5.621 -24.655 1.00 0.00 H new ATOM 0 HA ILE A 58 19.687 -5.239 -26.119 1.00 0.00 H new ATOM 0 HB ILE A 58 20.369 -7.378 -24.952 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.135 -6.786 -22.984 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.833 -7.826 -24.361 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.895 -6.261 -22.798 1.00 0.00 H new ATOM 0 HG22 ILE A 58 21.146 -5.156 -24.170 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.690 -5.002 -23.158 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.554 -9.162 -22.397 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.756 -9.278 -23.704 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.063 -8.222 -22.305 1.00 0.00 H new ATOM 817 N PRO A 59 19.096 -7.104 -27.767 1.00 0.00 N ATOM 818 CA PRO A 59 18.628 -8.024 -28.806 1.00 0.00 C ATOM 819 C PRO A 59 18.819 -9.481 -28.373 1.00 0.00 C ATOM 820 O PRO A 59 19.639 -9.774 -27.526 1.00 0.00 O ATOM 821 CB PRO A 59 19.523 -7.703 -29.999 1.00 0.00 C ATOM 822 CG PRO A 59 20.772 -7.138 -29.404 1.00 0.00 C ATOM 823 CD PRO A 59 20.392 -6.491 -28.098 1.00 0.00 C ATOM 0 HA PRO A 59 17.566 -7.908 -29.022 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.735 -8.597 -30.586 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.046 -6.988 -30.669 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.511 -7.923 -29.243 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.223 -6.409 -30.077 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.135 -6.684 -27.325 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.309 -5.409 -28.197 1.00 0.00 H new ATOM 831 N SER A 60 18.077 -10.399 -28.928 1.00 0.00 N ATOM 832 CA SER A 60 18.244 -11.819 -28.511 1.00 0.00 C ATOM 833 C SER A 60 19.319 -12.493 -29.366 1.00 0.00 C ATOM 834 O SER A 60 19.296 -13.691 -29.573 1.00 0.00 O ATOM 835 CB SER A 60 16.918 -12.557 -28.671 1.00 0.00 C ATOM 836 OG SER A 60 17.085 -13.916 -28.298 1.00 0.00 O ATOM 0 H SER A 60 17.370 -10.231 -29.644 1.00 0.00 H new ATOM 0 HA SER A 60 18.552 -11.851 -27.466 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.153 -12.090 -28.051 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.575 -12.492 -29.704 1.00 0.00 H new ATOM 0 HG SER A 60 17.356 -13.966 -27.358 1.00 0.00 H new ATOM 842 N ASN A 61 20.265 -11.742 -29.857 1.00 0.00 N ATOM 843 CA ASN A 61 21.338 -12.356 -30.690 1.00 0.00 C ATOM 844 C ASN A 61 22.690 -11.725 -30.343 1.00 0.00 C ATOM 845 O ASN A 61 23.713 -12.094 -30.885 1.00 0.00 O ATOM 846 CB ASN A 61 21.032 -12.124 -32.169 1.00 0.00 C ATOM 847 CG ASN A 61 21.703 -13.216 -33.006 1.00 0.00 C ATOM 848 OD1 ASN A 61 22.113 -14.233 -32.482 1.00 0.00 O ATOM 849 ND2 ASN A 61 21.833 -13.047 -34.293 1.00 0.00 N ATOM 0 H ASN A 61 20.342 -10.734 -29.719 1.00 0.00 H new ATOM 0 HA ASN A 61 21.379 -13.427 -30.490 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.955 -12.134 -32.334 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.392 -11.142 -32.476 1.00 0.00 H new ATOM 0 HD21 ASN A 61 22.279 -13.769 -34.860 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.489 -12.193 -34.733 1.00 0.00 H new ATOM 856 N TYR A 62 22.705 -10.770 -29.453 1.00 0.00 N ATOM 857 CA TYR A 62 23.994 -10.117 -29.088 1.00 0.00 C ATOM 858 C TYR A 62 24.508 -10.661 -27.752 1.00 0.00 C ATOM 859 O TYR A 62 25.692 -10.633 -27.482 1.00 0.00 O ATOM 860 CB TYR A 62 23.792 -8.606 -28.973 1.00 0.00 C ATOM 861 CG TYR A 62 23.619 -8.017 -30.353 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.588 -8.471 -31.185 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.490 -7.016 -30.800 1.00 0.00 C ATOM 864 CE1 TYR A 62 22.429 -7.924 -32.463 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.331 -6.469 -32.079 1.00 0.00 C ATOM 866 CZ TYR A 62 23.300 -6.924 -32.911 1.00 0.00 C ATOM 867 OH TYR A 62 23.142 -6.384 -34.172 1.00 0.00 O ATOM 0 H TYR A 62 21.883 -10.415 -28.964 1.00 0.00 H new ATOM 0 HA TYR A 62 24.726 -10.333 -29.866 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.916 -8.391 -28.361 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.648 -8.150 -28.476 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.916 -9.243 -30.840 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.285 -6.666 -30.158 1.00 0.00 H new ATOM 0 HE1 TYR A 62 21.634 -8.274 -33.104 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.003 -5.697 -32.424 1.00 0.00 H new ATOM 0 HH TYR A 62 23.829 -5.702 -34.324 1.00 0.00 H new ATOM 877 N VAL A 63 23.640 -11.150 -26.908 1.00 0.00 N ATOM 878 CA VAL A 63 24.120 -11.680 -25.598 1.00 0.00 C ATOM 879 C VAL A 63 23.911 -13.196 -25.536 1.00 0.00 C ATOM 880 O VAL A 63 23.143 -13.761 -26.289 1.00 0.00 O ATOM 881 CB VAL A 63 23.361 -11.007 -24.454 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.552 -9.492 -24.535 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.870 -11.341 -24.565 1.00 0.00 C ATOM 0 H VAL A 63 22.634 -11.206 -27.064 1.00 0.00 H new ATOM 0 HA VAL A 63 25.184 -11.463 -25.499 1.00 0.00 H new ATOM 0 HB VAL A 63 23.745 -11.370 -23.501 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.011 -9.013 -23.719 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.613 -9.254 -24.456 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.169 -9.127 -25.488 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.328 -10.862 -23.750 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.486 -10.979 -25.519 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.734 -12.421 -24.506 1.00 0.00 H new ATOM 893 N ALA A 64 24.599 -13.856 -24.643 1.00 0.00 N ATOM 894 CA ALA A 64 24.458 -15.335 -24.524 1.00 0.00 C ATOM 895 C ALA A 64 23.704 -15.677 -23.239 1.00 0.00 C ATOM 896 O ALA A 64 24.018 -15.176 -22.177 1.00 0.00 O ATOM 897 CB ALA A 64 25.849 -15.970 -24.469 1.00 0.00 C ATOM 0 H ALA A 64 25.256 -13.431 -23.988 1.00 0.00 H new ATOM 0 HA ALA A 64 23.907 -15.717 -25.384 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.752 -17.052 -24.382 1.00 0.00 H new ATOM 0 HB2 ALA A 64 26.396 -15.727 -25.380 1.00 0.00 H new ATOM 0 HB3 ALA A 64 26.391 -15.584 -23.606 1.00 0.00 H new ATOM 903 N LYS A 65 22.715 -16.523 -23.316 1.00 0.00 N ATOM 904 CA LYS A 65 21.957 -16.884 -22.087 1.00 0.00 C ATOM 905 C LYS A 65 22.680 -18.016 -21.354 1.00 0.00 C ATOM 906 O LYS A 65 22.591 -19.169 -21.728 1.00 0.00 O ATOM 907 CB LYS A 65 20.547 -17.340 -22.470 1.00 0.00 C ATOM 908 CG LYS A 65 19.984 -16.412 -23.548 1.00 0.00 C ATOM 909 CD LYS A 65 19.513 -17.242 -24.744 1.00 0.00 C ATOM 910 CE LYS A 65 18.617 -18.382 -24.255 1.00 0.00 C ATOM 911 NZ LYS A 65 17.714 -17.878 -23.182 1.00 0.00 N ATOM 0 H LYS A 65 22.400 -16.978 -24.173 1.00 0.00 H new ATOM 0 HA LYS A 65 21.891 -16.014 -21.434 1.00 0.00 H new ATOM 0 HB2 LYS A 65 20.572 -18.366 -22.836 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.900 -17.330 -21.593 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.154 -15.832 -23.145 1.00 0.00 H new ATOM 0 HG3 LYS A 65 20.747 -15.700 -23.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 18.966 -16.611 -25.445 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.372 -17.645 -25.281 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.030 -18.778 -25.083 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.227 -19.202 -23.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.804 -18.379 -23.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.152 -18.044 -22.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.555 -16.859 -23.313 1.00 0.00 H new ATOM 925 N LEU A 66 23.397 -17.695 -20.311 1.00 0.00 N ATOM 926 CA LEU A 66 24.127 -18.748 -19.552 1.00 0.00 C ATOM 927 C LEU A 66 24.763 -18.129 -18.306 1.00 0.00 C ATOM 928 O LEU A 66 24.895 -16.926 -18.198 1.00 0.00 O ATOM 929 CB LEU A 66 25.220 -19.351 -20.436 1.00 0.00 C ATOM 930 CG LEU A 66 25.449 -20.810 -20.039 1.00 0.00 C ATOM 931 CD1 LEU A 66 24.673 -21.724 -20.989 1.00 0.00 C ATOM 932 CD2 LEU A 66 26.941 -21.135 -20.125 1.00 0.00 C ATOM 0 H LEU A 66 23.508 -16.747 -19.952 1.00 0.00 H new ATOM 0 HA LEU A 66 23.429 -19.530 -19.254 1.00 0.00 H new ATOM 0 HB2 LEU A 66 24.930 -19.290 -21.485 1.00 0.00 H new ATOM 0 HB3 LEU A 66 26.145 -18.784 -20.328 1.00 0.00 H new ATOM 0 HG LEU A 66 25.102 -20.967 -19.018 1.00 0.00 H new ATOM 0 HD11 LEU A 66 24.836 -22.764 -20.707 1.00 0.00 H new ATOM 0 HD12 LEU A 66 23.609 -21.493 -20.928 1.00 0.00 H new ATOM 0 HD13 LEU A 66 25.020 -21.566 -22.010 1.00 0.00 H new ATOM 0 HD21 LEU A 66 27.104 -22.175 -19.842 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.289 -20.978 -21.146 1.00 0.00 H new ATOM 0 HD23 LEU A 66 27.495 -20.484 -19.449 1.00 0.00 H new ATOM 944 N ASN A 67 25.158 -18.941 -17.365 1.00 0.00 N ATOM 945 CA ASN A 67 25.786 -18.397 -16.128 1.00 0.00 C ATOM 946 C ASN A 67 27.238 -18.873 -16.043 1.00 0.00 C ATOM 947 O ASN A 67 27.722 -19.575 -16.909 1.00 0.00 O ATOM 948 CB ASN A 67 25.014 -18.890 -14.903 1.00 0.00 C ATOM 949 CG ASN A 67 24.740 -20.390 -15.043 1.00 0.00 C ATOM 950 OD1 ASN A 67 25.652 -21.191 -15.002 1.00 0.00 O ATOM 951 ND2 ASN A 67 23.515 -20.805 -15.207 1.00 0.00 N ATOM 0 H ASN A 67 25.073 -19.957 -17.399 1.00 0.00 H new ATOM 0 HA ASN A 67 25.761 -17.308 -16.157 1.00 0.00 H new ATOM 0 HB2 ASN A 67 25.588 -18.697 -13.996 1.00 0.00 H new ATOM 0 HB3 ASN A 67 24.075 -18.345 -14.808 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.323 -21.802 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.749 -20.132 -15.241 1.00 0.00 H new ATOM 958 N THR A 68 27.937 -18.495 -15.009 1.00 0.00 N ATOM 959 CA THR A 68 29.357 -18.926 -14.872 1.00 0.00 C ATOM 960 C THR A 68 29.440 -20.111 -13.908 1.00 0.00 C ATOM 961 O THR A 68 28.650 -20.150 -12.979 1.00 0.00 O ATOM 962 CB THR A 68 30.192 -17.765 -14.327 1.00 0.00 C ATOM 963 OG1 THR A 68 31.521 -18.209 -14.093 1.00 0.00 O ATOM 964 CG2 THR A 68 29.580 -17.267 -13.017 1.00 0.00 C ATOM 965 OXT THR A 68 30.293 -20.959 -14.114 1.00 0.00 O ATOM 0 H THR A 68 27.587 -17.907 -14.253 1.00 0.00 H new ATOM 0 HA THR A 68 29.742 -19.224 -15.847 1.00 0.00 H new ATOM 0 HB THR A 68 30.203 -16.952 -15.053 1.00 0.00 H new ATOM 0 HG1 THR A 68 32.058 -17.466 -13.745 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.175 -16.440 -12.629 1.00 0.00 H new ATOM 0 HG22 THR A 68 28.560 -16.927 -13.198 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.568 -18.078 -12.289 1.00 0.00 H new TER 973 THR A 68