USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 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 60 SER OG : rot -77:sc= 1.19 USER MOD Set 1.2: A 61 ASN : amide:sc= -1.44 K(o=-0.25,f=0.63) USER MOD Single : A 9 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0389 USER MOD Single : A 23 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-2.6!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.0985 (180deg=-0.0985) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.054) USER MOD Single : A 35 MET CE :methyl -172:sc= -8.61! (180deg=-11.2!) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.0461 (180deg=-1.33) USER MOD Single : A 41 HIS : no HD1:sc= -2.87 K(o=-2.9,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.0356 (180deg=-0.525) USER MOD Single : A 49 SER OG : rot -74:sc= -1.54 USER MOD Single : A 52 THR OG1 : rot 9:sc= -1.05! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0259) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= -0.227 (180deg=-1.43!) USER MOD Single : A 67 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.83) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 12.586 -14.117 -11.645 1.00 0.00 N ATOM 2 CA GLN A 9 12.403 -12.816 -12.349 1.00 0.00 C ATOM 3 C GLN A 9 12.377 -13.055 -13.859 1.00 0.00 C ATOM 4 O GLN A 9 11.345 -12.970 -14.495 1.00 0.00 O ATOM 5 CB GLN A 9 13.560 -11.876 -11.999 1.00 0.00 C ATOM 6 CG GLN A 9 14.100 -12.222 -10.610 1.00 0.00 C ATOM 7 CD GLN A 9 15.303 -13.158 -10.750 1.00 0.00 C ATOM 8 OE1 GLN A 9 16.039 -13.079 -11.714 1.00 0.00 O ATOM 9 NE2 GLN A 9 15.536 -14.045 -9.823 1.00 0.00 N ATOM 0 HA GLN A 9 11.463 -12.363 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.353 -11.967 -12.741 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.220 -10.841 -12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 9 14.392 -11.313 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 9 13.322 -12.699 -10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.918 -14.111 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 9 16.336 -14.672 -9.907 1.00 0.00 H new ATOM 18 N GLY A 10 13.505 -13.353 -14.435 1.00 0.00 N ATOM 19 CA GLY A 10 13.553 -13.600 -15.903 1.00 0.00 C ATOM 20 C GLY A 10 14.662 -14.607 -16.213 1.00 0.00 C ATOM 21 O GLY A 10 14.473 -15.803 -16.115 1.00 0.00 O ATOM 0 H GLY A 10 14.400 -13.437 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.593 -13.982 -16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.736 -12.666 -16.434 1.00 0.00 H new ATOM 25 N ASP A 11 15.819 -14.132 -16.586 1.00 0.00 N ATOM 26 CA ASP A 11 16.939 -15.062 -16.899 1.00 0.00 C ATOM 27 C ASP A 11 18.261 -14.294 -16.864 1.00 0.00 C ATOM 28 O ASP A 11 18.290 -13.084 -16.979 1.00 0.00 O ATOM 29 CB ASP A 11 16.733 -15.660 -18.293 1.00 0.00 C ATOM 30 CG ASP A 11 16.404 -17.148 -18.166 1.00 0.00 C ATOM 31 OD1 ASP A 11 17.307 -17.912 -17.866 1.00 0.00 O ATOM 32 OD2 ASP A 11 15.253 -17.500 -18.371 1.00 0.00 O ATOM 0 H ASP A 11 16.036 -13.141 -16.687 1.00 0.00 H new ATOM 0 HA ASP A 11 16.963 -15.864 -16.161 1.00 0.00 H new ATOM 0 HB2 ASP A 11 15.925 -15.141 -18.807 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.632 -15.525 -18.895 1.00 0.00 H new ATOM 37 N ILE A 12 19.357 -14.985 -16.709 1.00 0.00 N ATOM 38 CA ILE A 12 20.672 -14.291 -16.672 1.00 0.00 C ATOM 39 C ILE A 12 21.405 -14.534 -17.992 1.00 0.00 C ATOM 40 O ILE A 12 21.504 -15.651 -18.462 1.00 0.00 O ATOM 41 CB ILE A 12 21.509 -14.836 -15.512 1.00 0.00 C ATOM 42 CG1 ILE A 12 20.640 -14.935 -14.257 1.00 0.00 C ATOM 43 CG2 ILE A 12 22.687 -13.897 -15.246 1.00 0.00 C ATOM 44 CD1 ILE A 12 19.910 -13.609 -14.038 1.00 0.00 C ATOM 0 H ILE A 12 19.397 -15.999 -16.607 1.00 0.00 H new ATOM 0 HA ILE A 12 20.517 -13.221 -16.530 1.00 0.00 H new ATOM 0 HB ILE A 12 21.886 -15.826 -15.771 1.00 0.00 H new ATOM 0 HG12 ILE A 12 19.920 -15.746 -14.363 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.259 -15.170 -13.391 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.283 -14.285 -14.420 1.00 0.00 H new ATOM 0 HG22 ILE A 12 23.307 -13.829 -16.140 1.00 0.00 H new ATOM 0 HG23 ILE A 12 22.312 -12.907 -14.988 1.00 0.00 H new ATOM 0 HD11 ILE A 12 19.290 -13.678 -13.144 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.639 -12.809 -13.913 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.279 -13.394 -14.901 1.00 0.00 H new ATOM 56 N VAL A 13 21.907 -13.497 -18.600 1.00 0.00 N ATOM 57 CA VAL A 13 22.620 -13.663 -19.895 1.00 0.00 C ATOM 58 C VAL A 13 23.958 -12.933 -19.832 1.00 0.00 C ATOM 59 O VAL A 13 24.128 -12.001 -19.071 1.00 0.00 O ATOM 60 CB VAL A 13 21.771 -13.061 -21.017 1.00 0.00 C ATOM 61 CG1 VAL A 13 20.762 -14.100 -21.506 1.00 0.00 C ATOM 62 CG2 VAL A 13 21.024 -11.835 -20.487 1.00 0.00 C ATOM 0 H VAL A 13 21.854 -12.539 -18.255 1.00 0.00 H new ATOM 0 HA VAL A 13 22.789 -14.722 -20.087 1.00 0.00 H new ATOM 0 HB VAL A 13 22.417 -12.765 -21.844 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.157 -13.672 -22.305 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.293 -14.974 -21.882 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.115 -14.396 -20.680 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.419 -11.405 -21.285 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.378 -12.132 -19.661 1.00 0.00 H new ATOM 0 HG23 VAL A 13 21.743 -11.094 -20.137 1.00 0.00 H new ATOM 72 N VAL A 14 24.906 -13.333 -20.630 1.00 0.00 N ATOM 73 CA VAL A 14 26.217 -12.636 -20.610 1.00 0.00 C ATOM 74 C VAL A 14 26.419 -11.940 -21.954 1.00 0.00 C ATOM 75 O VAL A 14 26.178 -12.508 -23.002 1.00 0.00 O ATOM 76 CB VAL A 14 27.343 -13.640 -20.363 1.00 0.00 C ATOM 77 CG1 VAL A 14 27.293 -14.737 -21.430 1.00 0.00 C ATOM 78 CG2 VAL A 14 28.692 -12.922 -20.435 1.00 0.00 C ATOM 0 H VAL A 14 24.830 -14.107 -21.290 1.00 0.00 H new ATOM 0 HA VAL A 14 26.232 -11.900 -19.806 1.00 0.00 H new ATOM 0 HB VAL A 14 27.220 -14.086 -19.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 28.096 -15.453 -21.254 1.00 0.00 H new ATOM 0 HG12 VAL A 14 26.332 -15.250 -21.380 1.00 0.00 H new ATOM 0 HG13 VAL A 14 27.415 -14.291 -22.417 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.495 -13.638 -20.259 1.00 0.00 H new ATOM 0 HG22 VAL A 14 28.814 -12.475 -21.422 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.729 -12.141 -19.676 1.00 0.00 H new ATOM 88 N ALA A 15 26.848 -10.710 -21.933 1.00 0.00 N ATOM 89 CA ALA A 15 27.052 -9.973 -23.206 1.00 0.00 C ATOM 90 C ALA A 15 27.986 -10.767 -24.120 1.00 0.00 C ATOM 91 O ALA A 15 29.156 -10.931 -23.840 1.00 0.00 O ATOM 92 CB ALA A 15 27.668 -8.604 -22.912 1.00 0.00 C ATOM 0 H ALA A 15 27.066 -10.184 -21.087 1.00 0.00 H new ATOM 0 HA ALA A 15 26.090 -9.841 -23.702 1.00 0.00 H new ATOM 0 HB1 ALA A 15 27.817 -8.064 -23.847 1.00 0.00 H new ATOM 0 HB2 ALA A 15 26.999 -8.035 -22.267 1.00 0.00 H new ATOM 0 HB3 ALA A 15 28.628 -8.737 -22.412 1.00 0.00 H new ATOM 98 N LEU A 16 27.479 -11.236 -25.225 1.00 0.00 N ATOM 99 CA LEU A 16 28.340 -11.993 -26.173 1.00 0.00 C ATOM 100 C LEU A 16 29.016 -10.982 -27.094 1.00 0.00 C ATOM 101 O LEU A 16 30.112 -11.189 -27.576 1.00 0.00 O ATOM 102 CB LEU A 16 27.486 -12.956 -26.999 1.00 0.00 C ATOM 103 CG LEU A 16 26.821 -13.976 -26.073 1.00 0.00 C ATOM 104 CD1 LEU A 16 25.688 -14.680 -26.821 1.00 0.00 C ATOM 105 CD2 LEU A 16 27.857 -15.009 -25.625 1.00 0.00 C ATOM 0 H LEU A 16 26.506 -11.128 -25.512 1.00 0.00 H new ATOM 0 HA LEU A 16 29.085 -12.574 -25.629 1.00 0.00 H new ATOM 0 HB2 LEU A 16 26.727 -12.402 -27.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.106 -13.468 -27.735 1.00 0.00 H new ATOM 0 HG LEU A 16 26.417 -13.465 -25.199 1.00 0.00 H new ATOM 0 HD11 LEU A 16 25.214 -15.407 -26.162 1.00 0.00 H new ATOM 0 HD12 LEU A 16 24.950 -13.944 -27.140 1.00 0.00 H new ATOM 0 HD13 LEU A 16 26.092 -15.192 -27.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 27.384 -15.736 -24.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.262 -15.521 -26.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 28.665 -14.507 -25.092 1.00 0.00 H new ATOM 117 N TYR A 17 28.360 -9.881 -27.330 1.00 0.00 N ATOM 118 CA TYR A 17 28.938 -8.830 -28.206 1.00 0.00 C ATOM 119 C TYR A 17 28.705 -7.465 -27.555 1.00 0.00 C ATOM 120 O TYR A 17 27.654 -7.205 -27.004 1.00 0.00 O ATOM 121 CB TYR A 17 28.247 -8.867 -29.570 1.00 0.00 C ATOM 122 CG TYR A 17 28.718 -10.078 -30.340 1.00 0.00 C ATOM 123 CD1 TYR A 17 30.087 -10.293 -30.539 1.00 0.00 C ATOM 124 CD2 TYR A 17 27.786 -10.987 -30.855 1.00 0.00 C ATOM 125 CE1 TYR A 17 30.524 -11.414 -31.253 1.00 0.00 C ATOM 126 CE2 TYR A 17 28.222 -12.108 -31.569 1.00 0.00 C ATOM 127 CZ TYR A 17 29.592 -12.323 -31.768 1.00 0.00 C ATOM 128 OH TYR A 17 30.021 -13.430 -32.471 1.00 0.00 O ATOM 0 H TYR A 17 27.439 -9.664 -26.949 1.00 0.00 H new ATOM 0 HA TYR A 17 30.006 -9.002 -28.339 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.165 -8.903 -29.441 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.471 -7.958 -30.128 1.00 0.00 H new ATOM 0 HD1 TYR A 17 30.806 -9.593 -30.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.730 -10.823 -30.701 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.580 -11.578 -31.407 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.502 -12.808 -31.967 1.00 0.00 H new ATOM 0 HH TYR A 17 29.246 -13.957 -32.757 1.00 0.00 H new ATOM 138 N PRO A 18 29.702 -6.574 -27.625 1.00 0.00 N ATOM 139 CA PRO A 18 29.609 -5.226 -27.049 1.00 0.00 C ATOM 140 C PRO A 18 28.483 -4.408 -27.692 1.00 0.00 C ATOM 141 O PRO A 18 28.237 -4.495 -28.880 1.00 0.00 O ATOM 142 CB PRO A 18 30.977 -4.613 -27.368 1.00 0.00 C ATOM 143 CG PRO A 18 31.455 -5.396 -28.542 1.00 0.00 C ATOM 144 CD PRO A 18 31.000 -6.800 -28.274 1.00 0.00 C ATOM 0 HA PRO A 18 29.378 -5.242 -25.984 1.00 0.00 H new ATOM 0 HB2 PRO A 18 30.894 -3.552 -27.602 1.00 0.00 H new ATOM 0 HB3 PRO A 18 31.661 -4.701 -26.524 1.00 0.00 H new ATOM 0 HG2 PRO A 18 31.033 -5.014 -29.471 1.00 0.00 H new ATOM 0 HG3 PRO A 18 32.539 -5.343 -28.639 1.00 0.00 H new ATOM 0 HD2 PRO A 18 30.903 -7.381 -29.191 1.00 0.00 H new ATOM 0 HD3 PRO A 18 31.693 -7.338 -27.627 1.00 0.00 H new ATOM 152 N TYR A 19 27.790 -3.626 -26.909 1.00 0.00 N ATOM 153 CA TYR A 19 26.670 -2.812 -27.459 1.00 0.00 C ATOM 154 C TYR A 19 26.764 -1.382 -26.932 1.00 0.00 C ATOM 155 O TYR A 19 26.800 -1.156 -25.738 1.00 0.00 O ATOM 156 CB TYR A 19 25.342 -3.417 -27.004 1.00 0.00 C ATOM 157 CG TYR A 19 24.209 -2.809 -27.800 1.00 0.00 C ATOM 158 CD1 TYR A 19 23.581 -1.638 -27.351 1.00 0.00 C ATOM 159 CD2 TYR A 19 23.783 -3.418 -28.986 1.00 0.00 C ATOM 160 CE1 TYR A 19 22.529 -1.080 -28.089 1.00 0.00 C ATOM 161 CE2 TYR A 19 22.732 -2.859 -29.723 1.00 0.00 C ATOM 162 CZ TYR A 19 22.104 -1.692 -29.274 1.00 0.00 C ATOM 163 OH TYR A 19 21.068 -1.142 -30.001 1.00 0.00 O ATOM 0 H TYR A 19 27.953 -3.516 -25.908 1.00 0.00 H new ATOM 0 HA TYR A 19 26.730 -2.806 -28.547 1.00 0.00 H new ATOM 0 HB2 TYR A 19 25.357 -4.498 -27.141 1.00 0.00 H new ATOM 0 HB3 TYR A 19 25.192 -3.233 -25.940 1.00 0.00 H new ATOM 0 HD1 TYR A 19 23.908 -1.166 -26.436 1.00 0.00 H new ATOM 0 HD2 TYR A 19 24.265 -4.320 -29.333 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.046 -0.178 -27.744 1.00 0.00 H new ATOM 0 HE2 TYR A 19 22.406 -3.329 -30.639 1.00 0.00 H new ATOM 0 HH TYR A 19 20.899 -1.690 -30.796 1.00 0.00 H new ATOM 173 N ASP A 20 26.788 -0.411 -27.799 1.00 0.00 N ATOM 174 CA ASP A 20 26.863 0.996 -27.321 1.00 0.00 C ATOM 175 C ASP A 20 25.476 1.625 -27.433 1.00 0.00 C ATOM 176 O ASP A 20 24.974 1.851 -28.516 1.00 0.00 O ATOM 177 CB ASP A 20 27.866 1.784 -28.166 1.00 0.00 C ATOM 178 CG ASP A 20 27.740 3.275 -27.847 1.00 0.00 C ATOM 179 OD1 ASP A 20 27.859 3.624 -26.683 1.00 0.00 O ATOM 180 OD2 ASP A 20 27.528 4.043 -28.771 1.00 0.00 O ATOM 0 H ASP A 20 26.759 -0.529 -28.812 1.00 0.00 H new ATOM 0 HA ASP A 20 27.195 1.017 -26.283 1.00 0.00 H new ATOM 0 HB2 ASP A 20 28.880 1.441 -27.960 1.00 0.00 H new ATOM 0 HB3 ASP A 20 27.680 1.611 -29.226 1.00 0.00 H new ATOM 185 N GLY A 21 24.851 1.893 -26.315 1.00 0.00 N ATOM 186 CA GLY A 21 23.485 2.495 -26.323 1.00 0.00 C ATOM 187 C GLY A 21 23.260 3.302 -27.603 1.00 0.00 C ATOM 188 O GLY A 21 23.536 4.484 -27.659 1.00 0.00 O ATOM 0 H GLY A 21 25.234 1.718 -25.386 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.735 1.708 -26.246 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.361 3.140 -25.453 1.00 0.00 H new ATOM 192 N ILE A 22 22.752 2.676 -28.629 1.00 0.00 N ATOM 193 CA ILE A 22 22.501 3.413 -29.898 1.00 0.00 C ATOM 194 C ILE A 22 21.063 3.930 -29.887 1.00 0.00 C ATOM 195 O ILE A 22 20.684 4.776 -30.673 1.00 0.00 O ATOM 196 CB ILE A 22 22.699 2.471 -31.088 1.00 0.00 C ATOM 197 CG1 ILE A 22 24.005 1.693 -30.912 1.00 0.00 C ATOM 198 CG2 ILE A 22 22.763 3.288 -32.380 1.00 0.00 C ATOM 199 CD1 ILE A 22 24.327 0.940 -32.203 1.00 0.00 C ATOM 0 H ILE A 22 22.500 1.688 -28.643 1.00 0.00 H new ATOM 0 HA ILE A 22 23.196 4.248 -29.987 1.00 0.00 H new ATOM 0 HB ILE A 22 21.864 1.772 -31.140 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.817 2.376 -30.665 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.914 0.992 -30.082 1.00 0.00 H new ATOM 0 HG21 ILE A 22 22.904 2.618 -33.228 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.833 3.842 -32.506 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.598 3.987 -32.327 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.257 0.386 -32.078 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.518 0.246 -32.431 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.435 1.651 -33.022 1.00 0.00 H new ATOM 211 N HIS A 23 20.263 3.424 -28.989 1.00 0.00 N ATOM 212 CA HIS A 23 18.847 3.873 -28.899 1.00 0.00 C ATOM 213 C HIS A 23 18.641 4.603 -27.572 1.00 0.00 C ATOM 214 O HIS A 23 19.529 4.660 -26.744 1.00 0.00 O ATOM 215 CB HIS A 23 17.923 2.654 -28.958 1.00 0.00 C ATOM 216 CG HIS A 23 17.113 2.699 -30.224 1.00 0.00 C ATOM 217 ND1 HIS A 23 16.674 1.548 -30.861 1.00 0.00 N ATOM 218 CD2 HIS A 23 16.654 3.746 -30.983 1.00 0.00 C ATOM 219 CE1 HIS A 23 15.984 1.927 -31.952 1.00 0.00 C ATOM 220 NE2 HIS A 23 15.941 3.256 -32.074 1.00 0.00 N ATOM 0 H HIS A 23 20.533 2.713 -28.309 1.00 0.00 H new ATOM 0 HA HIS A 23 18.617 4.542 -29.728 1.00 0.00 H new ATOM 0 HB2 HIS A 23 18.511 1.737 -28.922 1.00 0.00 H new ATOM 0 HB3 HIS A 23 17.262 2.643 -28.091 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.820 4.791 -30.767 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.521 1.240 -32.645 1.00 0.00 H new ATOM 0 HE2 HIS A 23 15.484 3.796 -32.809 1.00 0.00 H new ATOM 228 N PRO A 24 17.446 5.169 -27.366 1.00 0.00 N ATOM 229 CA PRO A 24 17.122 5.896 -26.134 1.00 0.00 C ATOM 230 C PRO A 24 16.975 4.952 -24.939 1.00 0.00 C ATOM 231 O PRO A 24 17.278 5.306 -23.816 1.00 0.00 O ATOM 232 CB PRO A 24 15.781 6.558 -26.449 1.00 0.00 C ATOM 233 CG PRO A 24 15.175 5.697 -27.508 1.00 0.00 C ATOM 234 CD PRO A 24 16.320 5.148 -28.315 1.00 0.00 C ATOM 0 HA PRO A 24 17.905 6.603 -25.858 1.00 0.00 H new ATOM 0 HB2 PRO A 24 15.145 6.606 -25.565 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.917 7.581 -26.800 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.590 4.891 -27.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.498 6.274 -28.137 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.113 4.139 -28.671 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.523 5.761 -29.193 1.00 0.00 H new ATOM 242 N ASP A 25 16.502 3.759 -25.166 1.00 0.00 N ATOM 243 CA ASP A 25 16.326 2.801 -24.038 1.00 0.00 C ATOM 244 C ASP A 25 17.314 1.638 -24.170 1.00 0.00 C ATOM 245 O ASP A 25 17.455 0.833 -23.271 1.00 0.00 O ATOM 246 CB ASP A 25 14.898 2.252 -24.061 1.00 0.00 C ATOM 247 CG ASP A 25 14.327 2.256 -22.641 1.00 0.00 C ATOM 248 OD1 ASP A 25 14.818 3.022 -21.829 1.00 0.00 O ATOM 249 OD2 ASP A 25 13.409 1.492 -22.391 1.00 0.00 O ATOM 0 H ASP A 25 16.230 3.405 -26.083 1.00 0.00 H new ATOM 0 HA ASP A 25 16.512 3.321 -23.099 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.274 2.859 -24.717 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.893 1.239 -24.464 1.00 0.00 H new ATOM 254 N ASP A 26 17.995 1.531 -25.279 1.00 0.00 N ATOM 255 CA ASP A 26 18.959 0.409 -25.450 1.00 0.00 C ATOM 256 C ASP A 26 20.034 0.480 -24.365 1.00 0.00 C ATOM 257 O ASP A 26 20.724 1.470 -24.231 1.00 0.00 O ATOM 258 CB ASP A 26 19.626 0.517 -26.823 1.00 0.00 C ATOM 259 CG ASP A 26 19.123 -0.611 -27.725 1.00 0.00 C ATOM 260 OD1 ASP A 26 19.492 -1.747 -27.480 1.00 0.00 O ATOM 261 OD2 ASP A 26 18.379 -0.319 -28.646 1.00 0.00 O ATOM 0 H ASP A 26 17.925 2.170 -26.071 1.00 0.00 H new ATOM 0 HA ASP A 26 18.424 -0.538 -25.371 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.402 1.484 -27.273 1.00 0.00 H new ATOM 0 HB3 ASP A 26 20.709 0.458 -26.718 1.00 0.00 H new ATOM 266 N LEU A 27 20.198 -0.562 -23.595 1.00 0.00 N ATOM 267 CA LEU A 27 21.247 -0.540 -22.537 1.00 0.00 C ATOM 268 C LEU A 27 22.569 -0.992 -23.162 1.00 0.00 C ATOM 269 O LEU A 27 22.615 -1.941 -23.918 1.00 0.00 O ATOM 270 CB LEU A 27 20.831 -1.477 -21.392 1.00 0.00 C ATOM 271 CG LEU A 27 22.052 -1.914 -20.574 1.00 0.00 C ATOM 272 CD1 LEU A 27 22.806 -3.015 -21.324 1.00 0.00 C ATOM 273 CD2 LEU A 27 22.976 -0.717 -20.341 1.00 0.00 C ATOM 0 H LEU A 27 19.654 -1.423 -23.653 1.00 0.00 H new ATOM 0 HA LEU A 27 21.368 0.464 -22.130 1.00 0.00 H new ATOM 0 HB2 LEU A 27 20.116 -0.971 -20.744 1.00 0.00 H new ATOM 0 HB3 LEU A 27 20.327 -2.354 -21.799 1.00 0.00 H new ATOM 0 HG LEU A 27 21.720 -2.299 -19.610 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.673 -3.324 -20.741 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.147 -3.870 -21.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.136 -2.636 -22.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 23.842 -1.033 -19.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 23.309 -0.322 -21.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.437 0.058 -19.797 1.00 0.00 H new ATOM 285 N SER A 28 23.642 -0.310 -22.869 1.00 0.00 N ATOM 286 CA SER A 28 24.956 -0.688 -23.465 1.00 0.00 C ATOM 287 C SER A 28 25.615 -1.798 -22.644 1.00 0.00 C ATOM 288 O SER A 28 25.647 -1.756 -21.430 1.00 0.00 O ATOM 289 CB SER A 28 25.870 0.539 -23.477 1.00 0.00 C ATOM 290 OG SER A 28 26.798 0.452 -22.405 1.00 0.00 O ATOM 0 H SER A 28 23.666 0.494 -22.242 1.00 0.00 H new ATOM 0 HA SER A 28 24.795 -1.049 -24.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 26.401 0.600 -24.427 1.00 0.00 H new ATOM 0 HB3 SER A 28 25.276 1.448 -23.384 1.00 0.00 H new ATOM 0 HG SER A 28 27.384 1.238 -22.415 1.00 0.00 H new ATOM 296 N PHE A 29 26.166 -2.782 -23.302 1.00 0.00 N ATOM 297 CA PHE A 29 26.848 -3.882 -22.567 1.00 0.00 C ATOM 298 C PHE A 29 28.124 -4.258 -23.322 1.00 0.00 C ATOM 299 O PHE A 29 28.193 -4.152 -24.530 1.00 0.00 O ATOM 300 CB PHE A 29 25.926 -5.102 -22.453 1.00 0.00 C ATOM 301 CG PHE A 29 25.210 -5.357 -23.758 1.00 0.00 C ATOM 302 CD1 PHE A 29 23.982 -4.737 -24.018 1.00 0.00 C ATOM 303 CD2 PHE A 29 25.763 -6.233 -24.700 1.00 0.00 C ATOM 304 CE1 PHE A 29 23.308 -4.991 -25.219 1.00 0.00 C ATOM 305 CE2 PHE A 29 25.088 -6.490 -25.900 1.00 0.00 C ATOM 306 CZ PHE A 29 23.861 -5.869 -26.160 1.00 0.00 C ATOM 0 H PHE A 29 26.172 -2.870 -24.318 1.00 0.00 H new ATOM 0 HA PHE A 29 27.097 -3.548 -21.560 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.510 -5.980 -22.176 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.197 -4.940 -21.659 1.00 0.00 H new ATOM 0 HD1 PHE A 29 23.554 -4.062 -23.292 1.00 0.00 H new ATOM 0 HD2 PHE A 29 26.711 -6.711 -24.501 1.00 0.00 H new ATOM 0 HE1 PHE A 29 22.362 -4.510 -25.420 1.00 0.00 H new ATOM 0 HE2 PHE A 29 25.514 -7.168 -26.625 1.00 0.00 H new ATOM 0 HZ PHE A 29 23.341 -6.067 -27.086 1.00 0.00 H new ATOM 316 N LYS A 30 29.140 -4.685 -22.625 1.00 0.00 N ATOM 317 CA LYS A 30 30.409 -5.049 -23.315 1.00 0.00 C ATOM 318 C LYS A 30 30.593 -6.563 -23.282 1.00 0.00 C ATOM 319 O LYS A 30 30.278 -7.208 -22.302 1.00 0.00 O ATOM 320 CB LYS A 30 31.583 -4.384 -22.594 1.00 0.00 C ATOM 321 CG LYS A 30 32.081 -3.194 -23.417 1.00 0.00 C ATOM 322 CD LYS A 30 33.586 -3.019 -23.201 1.00 0.00 C ATOM 323 CE LYS A 30 34.269 -2.775 -24.547 1.00 0.00 C ATOM 324 NZ LYS A 30 34.786 -1.377 -24.594 1.00 0.00 N ATOM 0 H LYS A 30 29.147 -4.797 -21.611 1.00 0.00 H new ATOM 0 HA LYS A 30 30.370 -4.710 -24.350 1.00 0.00 H new ATOM 0 HB2 LYS A 30 31.273 -4.050 -21.604 1.00 0.00 H new ATOM 0 HB3 LYS A 30 32.389 -5.103 -22.450 1.00 0.00 H new ATOM 0 HG2 LYS A 30 31.871 -3.356 -24.474 1.00 0.00 H new ATOM 0 HG3 LYS A 30 31.553 -2.287 -23.122 1.00 0.00 H new ATOM 0 HD2 LYS A 30 33.773 -2.181 -22.529 1.00 0.00 H new ATOM 0 HD3 LYS A 30 34.002 -3.908 -22.726 1.00 0.00 H new ATOM 0 HE2 LYS A 30 35.087 -3.482 -24.686 1.00 0.00 H new ATOM 0 HE3 LYS A 30 33.563 -2.941 -25.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 35.251 -1.209 -25.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 33.996 -0.711 -24.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 35.472 -1.235 -23.826 1.00 0.00 H new ATOM 338 N LYS A 31 31.109 -7.143 -24.332 1.00 0.00 N ATOM 339 CA LYS A 31 31.313 -8.616 -24.318 1.00 0.00 C ATOM 340 C LYS A 31 31.920 -9.004 -22.971 1.00 0.00 C ATOM 341 O LYS A 31 32.597 -8.221 -22.336 1.00 0.00 O ATOM 342 CB LYS A 31 32.257 -9.039 -25.443 1.00 0.00 C ATOM 343 CG LYS A 31 33.652 -8.462 -25.189 1.00 0.00 C ATOM 344 CD LYS A 31 33.748 -7.063 -25.801 1.00 0.00 C ATOM 345 CE LYS A 31 34.083 -6.049 -24.705 1.00 0.00 C ATOM 346 NZ LYS A 31 35.553 -6.048 -24.462 1.00 0.00 N ATOM 0 H LYS A 31 31.394 -6.666 -25.187 1.00 0.00 H new ATOM 0 HA LYS A 31 30.356 -9.117 -24.466 1.00 0.00 H new ATOM 0 HB2 LYS A 31 32.307 -10.126 -25.499 1.00 0.00 H new ATOM 0 HB3 LYS A 31 31.876 -8.687 -26.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 33.848 -8.416 -24.118 1.00 0.00 H new ATOM 0 HG3 LYS A 31 34.411 -9.113 -25.624 1.00 0.00 H new ATOM 0 HD2 LYS A 31 34.515 -7.045 -26.575 1.00 0.00 H new ATOM 0 HD3 LYS A 31 32.805 -6.799 -26.280 1.00 0.00 H new ATOM 0 HE2 LYS A 31 33.752 -5.054 -25.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 33.552 -6.301 -23.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 35.781 -5.359 -23.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 35.856 -6.996 -24.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 36.050 -5.788 -25.338 1.00 0.00 H new ATOM 360 N GLY A 32 31.675 -10.201 -22.524 1.00 0.00 N ATOM 361 CA GLY A 32 32.232 -10.633 -21.210 1.00 0.00 C ATOM 362 C GLY A 32 31.390 -10.043 -20.067 1.00 0.00 C ATOM 363 O GLY A 32 31.465 -10.488 -18.940 1.00 0.00 O ATOM 0 H GLY A 32 31.114 -10.901 -23.009 1.00 0.00 H new ATOM 0 HA2 GLY A 32 32.236 -11.721 -21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 32 33.267 -10.305 -21.118 1.00 0.00 H new ATOM 367 N GLU A 33 30.592 -9.043 -20.346 1.00 0.00 N ATOM 368 CA GLU A 33 29.754 -8.432 -19.271 1.00 0.00 C ATOM 369 C GLU A 33 28.483 -9.263 -19.073 1.00 0.00 C ATOM 370 O GLU A 33 28.008 -9.919 -19.977 1.00 0.00 O ATOM 371 CB GLU A 33 29.379 -7.000 -19.660 1.00 0.00 C ATOM 372 CG GLU A 33 29.331 -6.129 -18.404 1.00 0.00 C ATOM 373 CD GLU A 33 30.752 -5.714 -18.018 1.00 0.00 C ATOM 374 OE1 GLU A 33 31.612 -6.580 -17.985 1.00 0.00 O ATOM 375 OE2 GLU A 33 30.957 -4.539 -17.764 1.00 0.00 O ATOM 0 H GLU A 33 30.485 -8.624 -21.270 1.00 0.00 H new ATOM 0 HA GLU A 33 30.321 -8.414 -18.340 1.00 0.00 H new ATOM 0 HB2 GLU A 33 30.107 -6.600 -20.366 1.00 0.00 H new ATOM 0 HB3 GLU A 33 28.411 -6.989 -20.161 1.00 0.00 H new ATOM 0 HG2 GLU A 33 28.719 -5.245 -18.584 1.00 0.00 H new ATOM 0 HG3 GLU A 33 28.866 -6.678 -17.585 1.00 0.00 H new ATOM 382 N LYS A 34 27.937 -9.244 -17.884 1.00 0.00 N ATOM 383 CA LYS A 34 26.703 -10.036 -17.607 1.00 0.00 C ATOM 384 C LYS A 34 25.494 -9.104 -17.509 1.00 0.00 C ATOM 385 O LYS A 34 25.593 -7.981 -17.055 1.00 0.00 O ATOM 386 CB LYS A 34 26.868 -10.789 -16.285 1.00 0.00 C ATOM 387 CG LYS A 34 25.601 -11.593 -15.993 1.00 0.00 C ATOM 388 CD LYS A 34 25.955 -13.076 -15.869 1.00 0.00 C ATOM 389 CE LYS A 34 26.123 -13.438 -14.392 1.00 0.00 C ATOM 390 NZ LYS A 34 27.461 -12.984 -13.918 1.00 0.00 N ATOM 0 H LYS A 34 28.295 -8.712 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 34 26.545 -10.745 -18.419 1.00 0.00 H new ATOM 0 HB2 LYS A 34 27.729 -11.455 -16.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 27.059 -10.085 -15.475 1.00 0.00 H new ATOM 0 HG2 LYS A 34 25.138 -11.240 -15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 34 24.873 -11.447 -16.791 1.00 0.00 H new ATOM 0 HD2 LYS A 34 25.171 -13.687 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 34 26.875 -13.288 -16.413 1.00 0.00 H new ATOM 0 HE2 LYS A 34 25.337 -12.969 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 34 26.024 -14.515 -14.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 27.624 -13.333 -12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 28.198 -13.357 -14.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 27.496 -11.945 -13.921 1.00 0.00 H new ATOM 404 N MET A 35 24.357 -9.568 -17.941 1.00 0.00 N ATOM 405 CA MET A 35 23.125 -8.735 -17.891 1.00 0.00 C ATOM 406 C MET A 35 21.947 -9.581 -17.419 1.00 0.00 C ATOM 407 O MET A 35 21.912 -10.783 -17.597 1.00 0.00 O ATOM 408 CB MET A 35 22.805 -8.211 -19.288 1.00 0.00 C ATOM 409 CG MET A 35 23.368 -6.797 -19.445 1.00 0.00 C ATOM 410 SD MET A 35 23.161 -6.254 -21.160 1.00 0.00 S ATOM 411 CE MET A 35 23.848 -7.730 -21.950 1.00 0.00 C ATOM 0 H MET A 35 24.227 -10.501 -18.332 1.00 0.00 H new ATOM 0 HA MET A 35 23.291 -7.906 -17.203 1.00 0.00 H new ATOM 0 HB2 MET A 35 23.234 -8.870 -20.042 1.00 0.00 H new ATOM 0 HB3 MET A 35 21.727 -8.204 -19.447 1.00 0.00 H new ATOM 0 HG2 MET A 35 22.854 -6.112 -18.771 1.00 0.00 H new ATOM 0 HG3 MET A 35 24.423 -6.781 -19.172 1.00 0.00 H new ATOM 0 HE1 MET A 35 23.950 -7.555 -23.021 1.00 0.00 H new ATOM 0 HE2 MET A 35 24.827 -7.949 -21.523 1.00 0.00 H new ATOM 0 HE3 MET A 35 23.181 -8.576 -21.783 1.00 0.00 H new ATOM 421 N LYS A 36 20.975 -8.949 -16.831 1.00 0.00 N ATOM 422 CA LYS A 36 19.774 -9.686 -16.353 1.00 0.00 C ATOM 423 C LYS A 36 18.566 -9.180 -17.134 1.00 0.00 C ATOM 424 O LYS A 36 18.354 -7.991 -17.251 1.00 0.00 O ATOM 425 CB LYS A 36 19.569 -9.423 -14.859 1.00 0.00 C ATOM 426 CG LYS A 36 19.821 -10.713 -14.076 1.00 0.00 C ATOM 427 CD LYS A 36 19.767 -10.419 -12.575 1.00 0.00 C ATOM 428 CE LYS A 36 21.013 -9.632 -12.166 1.00 0.00 C ATOM 429 NZ LYS A 36 21.742 -10.377 -11.100 1.00 0.00 N ATOM 0 H LYS A 36 20.960 -7.944 -16.659 1.00 0.00 H new ATOM 0 HA LYS A 36 19.902 -10.758 -16.506 1.00 0.00 H new ATOM 0 HB2 LYS A 36 20.248 -8.640 -14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 18.555 -9.066 -14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 36 19.073 -11.462 -14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.794 -11.128 -14.341 1.00 0.00 H new ATOM 0 HD2 LYS A 36 18.869 -9.849 -12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.711 -11.351 -12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.662 -9.483 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 20.730 -8.643 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 22.279 -9.707 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 21.059 -10.888 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.397 -11.056 -11.537 1.00 0.00 H new ATOM 443 N VAL A 37 17.777 -10.059 -17.686 1.00 0.00 N ATOM 444 CA VAL A 37 16.602 -9.588 -18.471 1.00 0.00 C ATOM 445 C VAL A 37 15.347 -9.599 -17.597 1.00 0.00 C ATOM 446 O VAL A 37 14.938 -10.624 -17.089 1.00 0.00 O ATOM 447 CB VAL A 37 16.392 -10.493 -19.685 1.00 0.00 C ATOM 448 CG1 VAL A 37 15.828 -9.668 -20.841 1.00 0.00 C ATOM 449 CG2 VAL A 37 17.728 -11.111 -20.103 1.00 0.00 C ATOM 0 H VAL A 37 17.892 -11.071 -17.629 1.00 0.00 H new ATOM 0 HA VAL A 37 16.790 -8.569 -18.810 1.00 0.00 H new ATOM 0 HB VAL A 37 15.692 -11.288 -19.428 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.678 -10.312 -21.708 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.875 -9.230 -20.544 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.529 -8.873 -21.097 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.576 -11.756 -20.969 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.431 -10.319 -20.360 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.130 -11.700 -19.279 1.00 0.00 H new ATOM 459 N LEU A 38 14.736 -8.460 -17.421 1.00 0.00 N ATOM 460 CA LEU A 38 13.508 -8.391 -16.582 1.00 0.00 C ATOM 461 C LEU A 38 12.296 -8.854 -17.399 1.00 0.00 C ATOM 462 O LEU A 38 11.301 -9.288 -16.852 1.00 0.00 O ATOM 463 CB LEU A 38 13.288 -6.950 -16.118 1.00 0.00 C ATOM 464 CG LEU A 38 14.615 -6.360 -15.638 1.00 0.00 C ATOM 465 CD1 LEU A 38 14.454 -4.854 -15.413 1.00 0.00 C ATOM 466 CD2 LEU A 38 15.027 -7.028 -14.325 1.00 0.00 C ATOM 0 H LEU A 38 15.036 -7.572 -17.824 1.00 0.00 H new ATOM 0 HA LEU A 38 13.628 -9.040 -15.715 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.886 -6.351 -16.935 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.554 -6.924 -15.313 1.00 0.00 H new ATOM 0 HG LEU A 38 15.382 -6.536 -16.392 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.400 -4.434 -15.071 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.162 -4.376 -16.348 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.686 -4.679 -14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.973 -6.607 -13.984 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.259 -6.854 -13.571 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.143 -8.100 -14.483 1.00 0.00 H new ATOM 478 N GLU A 39 12.365 -8.763 -18.700 1.00 0.00 N ATOM 479 CA GLU A 39 11.207 -9.197 -19.535 1.00 0.00 C ATOM 480 C GLU A 39 11.674 -9.503 -20.962 1.00 0.00 C ATOM 481 O GLU A 39 12.570 -8.868 -21.484 1.00 0.00 O ATOM 482 CB GLU A 39 10.161 -8.082 -19.570 1.00 0.00 C ATOM 483 CG GLU A 39 8.793 -8.655 -19.189 1.00 0.00 C ATOM 484 CD GLU A 39 7.987 -7.595 -18.436 1.00 0.00 C ATOM 485 OE1 GLU A 39 8.095 -6.433 -18.793 1.00 0.00 O ATOM 486 OE2 GLU A 39 7.277 -7.962 -17.515 1.00 0.00 O ATOM 0 H GLU A 39 13.169 -8.409 -19.219 1.00 0.00 H new ATOM 0 HA GLU A 39 10.771 -10.097 -19.102 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.439 -7.286 -18.879 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.118 -7.640 -20.565 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.256 -8.967 -20.084 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.919 -9.541 -18.567 1.00 0.00 H new ATOM 493 N GLU A 40 11.069 -10.474 -21.594 1.00 0.00 N ATOM 494 CA GLU A 40 11.468 -10.831 -22.987 1.00 0.00 C ATOM 495 C GLU A 40 10.338 -10.458 -23.951 1.00 0.00 C ATOM 496 O GLU A 40 9.173 -10.598 -23.634 1.00 0.00 O ATOM 497 CB GLU A 40 11.721 -12.340 -23.067 1.00 0.00 C ATOM 498 CG GLU A 40 12.872 -12.620 -24.035 1.00 0.00 C ATOM 499 CD GLU A 40 13.109 -14.130 -24.121 1.00 0.00 C ATOM 500 OE1 GLU A 40 12.980 -14.790 -23.103 1.00 0.00 O ATOM 501 OE2 GLU A 40 13.414 -14.599 -25.204 1.00 0.00 O ATOM 0 H GLU A 40 10.313 -11.037 -21.204 1.00 0.00 H new ATOM 0 HA GLU A 40 12.374 -10.289 -23.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.961 -12.731 -22.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.819 -12.852 -23.402 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.637 -12.221 -25.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.778 -12.117 -23.695 1.00 0.00 H new ATOM 508 N HIS A 41 10.666 -9.992 -25.126 1.00 0.00 N ATOM 509 CA HIS A 41 9.598 -9.623 -26.102 1.00 0.00 C ATOM 510 C HIS A 41 9.697 -10.522 -27.340 1.00 0.00 C ATOM 511 O HIS A 41 9.569 -10.069 -28.460 1.00 0.00 O ATOM 512 CB HIS A 41 9.758 -8.160 -26.518 1.00 0.00 C ATOM 513 CG HIS A 41 9.644 -7.276 -25.306 1.00 0.00 C ATOM 514 ND1 HIS A 41 8.439 -6.723 -24.906 1.00 0.00 N ATOM 515 CD2 HIS A 41 10.577 -6.841 -24.397 1.00 0.00 C ATOM 516 CE1 HIS A 41 8.674 -5.993 -23.802 1.00 0.00 C ATOM 517 NE2 HIS A 41 9.960 -6.031 -23.446 1.00 0.00 N ATOM 0 H HIS A 41 11.622 -9.851 -25.452 1.00 0.00 H new ATOM 0 HA HIS A 41 8.624 -9.759 -25.633 1.00 0.00 H new ATOM 0 HB2 HIS A 41 10.725 -8.012 -26.999 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.994 -7.893 -27.248 1.00 0.00 H new ATOM 0 HD2 HIS A 41 11.628 -7.089 -24.416 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.914 -5.442 -23.268 1.00 0.00 H new ATOM 0 HE2 HIS A 41 10.397 -5.567 -22.649 1.00 0.00 H new ATOM 525 N GLY A 42 9.911 -11.795 -27.144 1.00 0.00 N ATOM 526 CA GLY A 42 10.003 -12.732 -28.302 1.00 0.00 C ATOM 527 C GLY A 42 10.935 -12.172 -29.380 1.00 0.00 C ATOM 528 O GLY A 42 10.653 -12.261 -30.558 1.00 0.00 O ATOM 0 H GLY A 42 10.027 -12.229 -26.228 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.371 -13.701 -27.964 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.011 -12.897 -28.722 1.00 0.00 H new ATOM 532 N GLU A 43 12.045 -11.609 -28.988 1.00 0.00 N ATOM 533 CA GLU A 43 13.000 -11.055 -29.996 1.00 0.00 C ATOM 534 C GLU A 43 13.871 -9.980 -29.351 1.00 0.00 C ATOM 535 O GLU A 43 15.080 -9.981 -29.480 1.00 0.00 O ATOM 536 CB GLU A 43 12.222 -10.437 -31.161 1.00 0.00 C ATOM 537 CG GLU A 43 12.273 -11.380 -32.365 1.00 0.00 C ATOM 538 CD GLU A 43 12.641 -10.585 -33.619 1.00 0.00 C ATOM 539 OE1 GLU A 43 13.434 -9.666 -33.502 1.00 0.00 O ATOM 540 OE2 GLU A 43 12.123 -10.909 -34.675 1.00 0.00 O ATOM 0 H GLU A 43 12.334 -11.508 -28.015 1.00 0.00 H new ATOM 0 HA GLU A 43 13.632 -11.863 -30.364 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.187 -10.260 -30.868 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.649 -9.469 -31.425 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.006 -12.168 -32.193 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.307 -11.867 -32.500 1.00 0.00 H new ATOM 547 N TRP A 44 13.265 -9.062 -28.659 1.00 0.00 N ATOM 548 CA TRP A 44 14.044 -7.978 -27.999 1.00 0.00 C ATOM 549 C TRP A 44 13.674 -7.930 -26.519 1.00 0.00 C ATOM 550 O TRP A 44 12.523 -7.776 -26.164 1.00 0.00 O ATOM 551 CB TRP A 44 13.706 -6.636 -28.651 1.00 0.00 C ATOM 552 CG TRP A 44 14.664 -6.366 -29.767 1.00 0.00 C ATOM 553 CD1 TRP A 44 14.546 -6.848 -31.026 1.00 0.00 C ATOM 554 CD2 TRP A 44 15.877 -5.559 -29.749 1.00 0.00 C ATOM 555 NE1 TRP A 44 15.610 -6.388 -31.782 1.00 0.00 N ATOM 556 CE2 TRP A 44 16.457 -5.590 -31.039 1.00 0.00 C ATOM 557 CE3 TRP A 44 16.523 -4.812 -28.748 1.00 0.00 C ATOM 558 CZ2 TRP A 44 17.638 -4.902 -31.326 1.00 0.00 C ATOM 559 CZ3 TRP A 44 17.711 -4.118 -29.034 1.00 0.00 C ATOM 560 CH2 TRP A 44 18.267 -4.164 -30.320 1.00 0.00 C ATOM 0 H TRP A 44 12.256 -9.014 -28.520 1.00 0.00 H new ATOM 0 HA TRP A 44 15.111 -8.173 -28.107 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.684 -6.652 -29.031 1.00 0.00 H new ATOM 0 HB3 TRP A 44 13.759 -5.837 -27.911 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.752 -7.487 -31.382 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.751 -6.611 -32.767 1.00 0.00 H new ATOM 0 HE3 TRP A 44 16.104 -4.771 -27.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 18.062 -4.940 -32.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 18.199 -3.546 -28.258 1.00 0.00 H new ATOM 0 HH2 TRP A 44 19.181 -3.629 -30.533 1.00 0.00 H new ATOM 571 N TRP A 45 14.634 -8.063 -25.649 1.00 0.00 N ATOM 572 CA TRP A 45 14.318 -8.026 -24.197 1.00 0.00 C ATOM 573 C TRP A 45 15.013 -6.834 -23.546 1.00 0.00 C ATOM 574 O TRP A 45 15.906 -6.234 -24.109 1.00 0.00 O ATOM 575 CB TRP A 45 14.818 -9.302 -23.515 1.00 0.00 C ATOM 576 CG TRP A 45 15.010 -10.398 -24.512 1.00 0.00 C ATOM 577 CD1 TRP A 45 14.188 -10.666 -25.551 1.00 0.00 C ATOM 578 CD2 TRP A 45 16.079 -11.384 -24.570 1.00 0.00 C ATOM 579 NE1 TRP A 45 14.681 -11.761 -26.239 1.00 0.00 N ATOM 580 CE2 TRP A 45 15.849 -12.237 -25.674 1.00 0.00 C ATOM 581 CE3 TRP A 45 17.216 -11.618 -23.777 1.00 0.00 C ATOM 582 CZ2 TRP A 45 16.716 -13.287 -25.979 1.00 0.00 C ATOM 583 CZ3 TRP A 45 18.092 -12.671 -24.081 1.00 0.00 C ATOM 584 CH2 TRP A 45 17.842 -13.505 -25.180 1.00 0.00 C ATOM 0 H TRP A 45 15.619 -8.195 -25.879 1.00 0.00 H new ATOM 0 HA TRP A 45 13.237 -7.942 -24.083 1.00 0.00 H new ATOM 0 HB2 TRP A 45 15.759 -9.101 -23.003 1.00 0.00 H new ATOM 0 HB3 TRP A 45 14.103 -9.617 -22.755 1.00 0.00 H new ATOM 0 HD1 TRP A 45 13.293 -10.116 -25.803 1.00 0.00 H new ATOM 0 HE1 TRP A 45 14.237 -12.167 -27.062 1.00 0.00 H new ATOM 0 HE3 TRP A 45 17.417 -10.982 -22.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 16.518 -13.927 -26.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 18.963 -12.840 -23.465 1.00 0.00 H new ATOM 0 HH2 TRP A 45 18.519 -14.315 -25.409 1.00 0.00 H new ATOM 595 N LYS A 46 14.620 -6.506 -22.349 1.00 0.00 N ATOM 596 CA LYS A 46 15.266 -5.372 -21.634 1.00 0.00 C ATOM 597 C LYS A 46 16.067 -5.944 -20.461 1.00 0.00 C ATOM 598 O LYS A 46 15.542 -6.654 -19.627 1.00 0.00 O ATOM 599 CB LYS A 46 14.188 -4.403 -21.132 1.00 0.00 C ATOM 600 CG LYS A 46 14.328 -4.188 -19.621 1.00 0.00 C ATOM 601 CD LYS A 46 13.456 -3.006 -19.192 1.00 0.00 C ATOM 602 CE LYS A 46 14.120 -1.697 -19.623 1.00 0.00 C ATOM 603 NZ LYS A 46 13.128 -0.587 -19.548 1.00 0.00 N ATOM 0 H LYS A 46 13.876 -6.976 -21.833 1.00 0.00 H new ATOM 0 HA LYS A 46 15.933 -4.824 -22.300 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.276 -3.449 -21.652 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.198 -4.799 -21.360 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.028 -5.089 -19.085 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.370 -3.997 -19.365 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.466 -3.089 -19.641 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.317 -3.017 -18.111 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.973 -1.481 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.503 -1.789 -20.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.580 0.303 -19.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.328 -0.793 -20.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.783 -0.495 -18.571 1.00 0.00 H new ATOM 617 N ALA A 47 17.337 -5.664 -20.405 1.00 0.00 N ATOM 618 CA ALA A 47 18.171 -6.218 -19.301 1.00 0.00 C ATOM 619 C ALA A 47 18.847 -5.093 -18.518 1.00 0.00 C ATOM 620 O ALA A 47 18.568 -3.925 -18.709 1.00 0.00 O ATOM 621 CB ALA A 47 19.246 -7.130 -19.894 1.00 0.00 C ATOM 0 H ALA A 47 17.835 -5.077 -21.074 1.00 0.00 H new ATOM 0 HA ALA A 47 17.528 -6.780 -18.624 1.00 0.00 H new ATOM 0 HB1 ALA A 47 19.860 -7.539 -19.091 1.00 0.00 H new ATOM 0 HB2 ALA A 47 18.771 -7.946 -20.439 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.875 -6.556 -20.575 1.00 0.00 H new ATOM 627 N LYS A 48 19.742 -5.449 -17.636 1.00 0.00 N ATOM 628 CA LYS A 48 20.459 -4.423 -16.826 1.00 0.00 C ATOM 629 C LYS A 48 21.924 -4.840 -16.677 1.00 0.00 C ATOM 630 O LYS A 48 22.247 -6.012 -16.695 1.00 0.00 O ATOM 631 CB LYS A 48 19.812 -4.318 -15.443 1.00 0.00 C ATOM 632 CG LYS A 48 20.645 -3.386 -14.560 1.00 0.00 C ATOM 633 CD LYS A 48 19.766 -2.819 -13.444 1.00 0.00 C ATOM 634 CE LYS A 48 20.316 -3.263 -12.087 1.00 0.00 C ATOM 635 NZ LYS A 48 20.318 -4.752 -12.014 1.00 0.00 N ATOM 0 H LYS A 48 20.009 -6.414 -17.441 1.00 0.00 H new ATOM 0 HA LYS A 48 20.401 -3.455 -17.323 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.795 -3.938 -15.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.744 -5.305 -14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.488 -3.930 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.059 -2.575 -15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.744 -1.731 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.739 -3.165 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.327 -2.880 -11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.707 -2.850 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.172 -5.051 -11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.553 -5.130 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.231 -5.115 -12.354 1.00 0.00 H new ATOM 649 N SER A 49 22.819 -3.897 -16.547 1.00 0.00 N ATOM 650 CA SER A 49 24.260 -4.259 -16.419 1.00 0.00 C ATOM 651 C SER A 49 24.623 -4.445 -14.944 1.00 0.00 C ATOM 652 O SER A 49 24.394 -3.577 -14.125 1.00 0.00 O ATOM 653 CB SER A 49 25.120 -3.143 -17.016 1.00 0.00 C ATOM 654 OG SER A 49 24.321 -1.986 -17.218 1.00 0.00 O ATOM 0 H SER A 49 22.616 -2.898 -16.524 1.00 0.00 H new ATOM 0 HA SER A 49 24.443 -5.191 -16.954 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.950 -2.913 -16.348 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.552 -3.469 -17.962 1.00 0.00 H new ATOM 0 HG SER A 49 23.734 -2.125 -17.990 1.00 0.00 H new ATOM 660 N LEU A 50 25.186 -5.569 -14.595 1.00 0.00 N ATOM 661 CA LEU A 50 25.559 -5.799 -13.170 1.00 0.00 C ATOM 662 C LEU A 50 26.720 -4.874 -12.791 1.00 0.00 C ATOM 663 O LEU A 50 27.031 -4.692 -11.630 1.00 0.00 O ATOM 664 CB LEU A 50 25.983 -7.257 -12.982 1.00 0.00 C ATOM 665 CG LEU A 50 25.381 -7.801 -11.684 1.00 0.00 C ATOM 666 CD1 LEU A 50 24.738 -9.163 -11.950 1.00 0.00 C ATOM 667 CD2 LEU A 50 26.485 -7.953 -10.636 1.00 0.00 C ATOM 0 H LEU A 50 25.403 -6.336 -15.232 1.00 0.00 H new ATOM 0 HA LEU A 50 24.702 -5.586 -12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.649 -7.856 -13.829 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.070 -7.329 -12.949 1.00 0.00 H new ATOM 0 HG LEU A 50 24.623 -7.109 -11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.310 -9.550 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.952 -9.054 -12.697 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.494 -9.857 -12.318 1.00 0.00 H new ATOM 0 HD21 LEU A 50 26.058 -8.340 -9.711 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.243 -8.645 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 50 26.942 -6.982 -10.446 1.00 0.00 H new ATOM 679 N LEU A 51 27.366 -4.293 -13.767 1.00 0.00 N ATOM 680 CA LEU A 51 28.511 -3.383 -13.475 1.00 0.00 C ATOM 681 C LEU A 51 27.995 -1.973 -13.186 1.00 0.00 C ATOM 682 O LEU A 51 28.304 -1.384 -12.170 1.00 0.00 O ATOM 683 CB LEU A 51 29.445 -3.339 -14.685 1.00 0.00 C ATOM 684 CG LEU A 51 30.577 -2.344 -14.420 1.00 0.00 C ATOM 685 CD1 LEU A 51 31.430 -2.843 -13.252 1.00 0.00 C ATOM 686 CD2 LEU A 51 31.449 -2.217 -15.670 1.00 0.00 C ATOM 0 H LEU A 51 27.149 -4.410 -14.757 1.00 0.00 H new ATOM 0 HA LEU A 51 29.051 -3.755 -12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 29.855 -4.330 -14.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.890 -3.046 -15.576 1.00 0.00 H new ATOM 0 HG LEU A 51 30.154 -1.370 -14.172 1.00 0.00 H new ATOM 0 HD11 LEU A 51 32.237 -2.135 -13.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 30.809 -2.933 -12.361 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.853 -3.817 -13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.255 -1.508 -15.481 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.872 -3.190 -15.919 1.00 0.00 H new ATOM 0 HD23 LEU A 51 30.842 -1.862 -16.503 1.00 0.00 H new ATOM 698 N THR A 52 27.212 -1.428 -14.071 1.00 0.00 N ATOM 699 CA THR A 52 26.678 -0.056 -13.850 1.00 0.00 C ATOM 700 C THR A 52 25.180 -0.137 -13.554 1.00 0.00 C ATOM 701 O THR A 52 24.477 0.855 -13.575 1.00 0.00 O ATOM 702 CB THR A 52 26.909 0.793 -15.103 1.00 0.00 C ATOM 703 OG1 THR A 52 26.022 1.902 -15.091 1.00 0.00 O ATOM 704 CG2 THR A 52 26.653 -0.054 -16.350 1.00 0.00 C ATOM 0 H THR A 52 26.917 -1.873 -14.940 1.00 0.00 H new ATOM 0 HA THR A 52 27.192 0.403 -13.005 1.00 0.00 H new ATOM 0 HB THR A 52 27.939 1.151 -15.115 1.00 0.00 H new ATOM 0 HG1 THR A 52 25.565 1.946 -14.225 1.00 0.00 H new ATOM 0 HG21 THR A 52 26.818 0.552 -17.241 1.00 0.00 H new ATOM 0 HG22 THR A 52 27.334 -0.905 -16.358 1.00 0.00 H new ATOM 0 HG23 THR A 52 25.624 -0.413 -16.341 1.00 0.00 H new ATOM 712 N LYS A 53 24.688 -1.311 -13.274 1.00 0.00 N ATOM 713 CA LYS A 53 23.238 -1.463 -12.970 1.00 0.00 C ATOM 714 C LYS A 53 22.412 -0.661 -13.974 1.00 0.00 C ATOM 715 O LYS A 53 21.295 -0.268 -13.698 1.00 0.00 O ATOM 716 CB LYS A 53 22.956 -0.949 -11.557 1.00 0.00 C ATOM 717 CG LYS A 53 23.504 -1.945 -10.532 1.00 0.00 C ATOM 718 CD LYS A 53 23.464 -1.317 -9.137 1.00 0.00 C ATOM 719 CE LYS A 53 24.106 -2.273 -8.129 1.00 0.00 C ATOM 720 NZ LYS A 53 25.417 -1.721 -7.686 1.00 0.00 N ATOM 0 H LYS A 53 25.229 -2.175 -13.242 1.00 0.00 H new ATOM 0 HA LYS A 53 22.966 -2.516 -13.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.419 0.027 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.884 -0.817 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 53 22.913 -2.861 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 24.527 -2.221 -10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.994 -0.365 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 53 22.434 -1.107 -8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 23.448 -2.409 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.247 -3.255 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.854 -2.370 -7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.044 -1.613 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.270 -0.794 -7.239 1.00 0.00 H new ATOM 734 N LYS A 54 22.939 -0.427 -15.143 1.00 0.00 N ATOM 735 CA LYS A 54 22.165 0.333 -16.160 1.00 0.00 C ATOM 736 C LYS A 54 21.163 -0.617 -16.810 1.00 0.00 C ATOM 737 O LYS A 54 21.464 -1.766 -17.057 1.00 0.00 O ATOM 738 CB LYS A 54 23.115 0.889 -17.222 1.00 0.00 C ATOM 739 CG LYS A 54 23.448 2.346 -16.896 1.00 0.00 C ATOM 740 CD LYS A 54 23.827 3.083 -18.182 1.00 0.00 C ATOM 741 CE LYS A 54 22.749 4.118 -18.513 1.00 0.00 C ATOM 742 NZ LYS A 54 21.482 3.420 -18.869 1.00 0.00 N ATOM 0 H LYS A 54 23.868 -0.728 -15.436 1.00 0.00 H new ATOM 0 HA LYS A 54 21.641 1.165 -15.689 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.028 0.295 -17.255 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.655 0.822 -18.208 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.592 2.830 -16.426 1.00 0.00 H new ATOM 0 HG3 LYS A 54 24.271 2.391 -16.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.793 3.574 -18.061 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.930 2.374 -19.003 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.587 4.775 -17.659 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.076 4.746 -19.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.804 4.107 -19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 21.677 2.688 -19.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.079 2.977 -18.019 1.00 0.00 H new ATOM 756 N GLU A 55 19.976 -0.159 -17.089 1.00 0.00 N ATOM 757 CA GLU A 55 18.972 -1.059 -17.720 1.00 0.00 C ATOM 758 C GLU A 55 18.515 -0.463 -19.051 1.00 0.00 C ATOM 759 O GLU A 55 18.398 0.738 -19.199 1.00 0.00 O ATOM 760 CB GLU A 55 17.769 -1.221 -16.789 1.00 0.00 C ATOM 761 CG GLU A 55 17.072 0.130 -16.617 1.00 0.00 C ATOM 762 CD GLU A 55 16.005 0.018 -15.527 1.00 0.00 C ATOM 763 OE1 GLU A 55 16.370 0.041 -14.363 1.00 0.00 O ATOM 764 OE2 GLU A 55 14.840 -0.089 -15.875 1.00 0.00 O ATOM 0 H GLU A 55 19.658 0.793 -16.909 1.00 0.00 H new ATOM 0 HA GLU A 55 19.423 -2.035 -17.897 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.073 -1.952 -17.201 1.00 0.00 H new ATOM 0 HB3 GLU A 55 18.094 -1.601 -15.820 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.800 0.896 -16.350 1.00 0.00 H new ATOM 0 HG3 GLU A 55 16.615 0.438 -17.558 1.00 0.00 H new ATOM 771 N GLY A 56 18.264 -1.295 -20.022 1.00 0.00 N ATOM 772 CA GLY A 56 17.824 -0.780 -21.346 1.00 0.00 C ATOM 773 C GLY A 56 17.285 -1.932 -22.188 1.00 0.00 C ATOM 774 O GLY A 56 16.983 -2.998 -21.686 1.00 0.00 O ATOM 0 H GLY A 56 18.345 -2.310 -19.955 1.00 0.00 H new ATOM 0 HA2 GLY A 56 17.053 -0.020 -21.215 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.659 -0.302 -21.858 1.00 0.00 H new ATOM 778 N PHE A 57 17.168 -1.724 -23.465 1.00 0.00 N ATOM 779 CA PHE A 57 16.655 -2.804 -24.349 1.00 0.00 C ATOM 780 C PHE A 57 17.833 -3.528 -25.001 1.00 0.00 C ATOM 781 O PHE A 57 18.760 -2.913 -25.490 1.00 0.00 O ATOM 782 CB PHE A 57 15.755 -2.204 -25.431 1.00 0.00 C ATOM 783 CG PHE A 57 14.313 -2.542 -25.134 1.00 0.00 C ATOM 784 CD1 PHE A 57 13.951 -3.860 -24.834 1.00 0.00 C ATOM 785 CD2 PHE A 57 13.340 -1.536 -25.161 1.00 0.00 C ATOM 786 CE1 PHE A 57 12.613 -4.173 -24.559 1.00 0.00 C ATOM 787 CE2 PHE A 57 12.003 -1.848 -24.887 1.00 0.00 C ATOM 788 CZ PHE A 57 11.640 -3.167 -24.586 1.00 0.00 C ATOM 0 H PHE A 57 17.405 -0.852 -23.937 1.00 0.00 H new ATOM 0 HA PHE A 57 16.076 -3.512 -23.757 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.885 -1.122 -25.468 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.036 -2.593 -26.410 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.702 -4.636 -24.814 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.621 -0.519 -25.393 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.333 -5.190 -24.326 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.252 -1.072 -24.908 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.609 -3.408 -24.375 1.00 0.00 H new ATOM 798 N ILE A 58 17.802 -4.830 -25.011 1.00 0.00 N ATOM 799 CA ILE A 58 18.915 -5.603 -25.631 1.00 0.00 C ATOM 800 C ILE A 58 18.338 -6.566 -26.668 1.00 0.00 C ATOM 801 O ILE A 58 17.283 -7.135 -26.471 1.00 0.00 O ATOM 802 CB ILE A 58 19.643 -6.404 -24.548 1.00 0.00 C ATOM 803 CG1 ILE A 58 18.645 -7.313 -23.828 1.00 0.00 C ATOM 804 CG2 ILE A 58 20.276 -5.441 -23.542 1.00 0.00 C ATOM 805 CD1 ILE A 58 19.389 -8.499 -23.210 1.00 0.00 C ATOM 0 H ILE A 58 17.051 -5.395 -24.615 1.00 0.00 H new ATOM 0 HA ILE A 58 19.615 -4.919 -26.111 1.00 0.00 H new ATOM 0 HB ILE A 58 20.422 -7.013 -25.007 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.122 -6.754 -23.052 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.890 -7.669 -24.529 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.795 -6.010 -22.770 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.987 -4.794 -24.056 1.00 0.00 H new ATOM 0 HG23 ILE A 58 19.498 -4.832 -23.082 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.678 -9.147 -22.697 1.00 0.00 H new ATOM 0 HD12 ILE A 58 19.892 -9.063 -23.996 1.00 0.00 H new ATOM 0 HD13 ILE A 58 20.127 -8.133 -22.496 1.00 0.00 H new ATOM 817 N PRO A 59 19.039 -6.756 -27.796 1.00 0.00 N ATOM 818 CA PRO A 59 18.574 -7.659 -28.851 1.00 0.00 C ATOM 819 C PRO A 59 18.720 -9.118 -28.415 1.00 0.00 C ATOM 820 O PRO A 59 19.558 -9.439 -27.596 1.00 0.00 O ATOM 821 CB PRO A 59 19.510 -7.358 -30.021 1.00 0.00 C ATOM 822 CG PRO A 59 20.750 -6.820 -29.389 1.00 0.00 C ATOM 823 CD PRO A 59 20.324 -6.117 -28.128 1.00 0.00 C ATOM 0 HA PRO A 59 17.522 -7.515 -29.097 1.00 0.00 H new ATOM 0 HB2 PRO A 59 19.720 -8.257 -30.601 1.00 0.00 H new ATOM 0 HB3 PRO A 59 19.068 -6.633 -30.705 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.451 -7.625 -29.166 1.00 0.00 H new ATOM 0 HG3 PRO A 59 21.260 -6.131 -30.063 1.00 0.00 H new ATOM 0 HD2 PRO A 59 21.055 -6.246 -27.330 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.210 -5.044 -28.285 1.00 0.00 H new ATOM 831 N SER A 60 17.920 -10.010 -28.929 1.00 0.00 N ATOM 832 CA SER A 60 18.051 -11.428 -28.496 1.00 0.00 C ATOM 833 C SER A 60 19.110 -12.138 -29.344 1.00 0.00 C ATOM 834 O SER A 60 19.047 -13.332 -29.559 1.00 0.00 O ATOM 835 CB SER A 60 16.706 -12.135 -28.639 1.00 0.00 C ATOM 836 OG SER A 60 16.295 -12.098 -29.998 1.00 0.00 O ATOM 0 H SER A 60 17.192 -9.823 -29.619 1.00 0.00 H new ATOM 0 HA SER A 60 18.360 -11.457 -27.451 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.788 -13.168 -28.301 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.960 -11.651 -28.009 1.00 0.00 H new ATOM 0 HG SER A 60 15.951 -11.206 -30.212 1.00 0.00 H new ATOM 842 N ASN A 61 20.089 -11.416 -29.820 1.00 0.00 N ATOM 843 CA ASN A 61 21.153 -12.057 -30.643 1.00 0.00 C ATOM 844 C ASN A 61 22.523 -11.497 -30.245 1.00 0.00 C ATOM 845 O ASN A 61 23.539 -11.875 -30.792 1.00 0.00 O ATOM 846 CB ASN A 61 20.896 -11.774 -32.122 1.00 0.00 C ATOM 847 CG ASN A 61 19.406 -11.944 -32.423 1.00 0.00 C ATOM 848 OD1 ASN A 61 18.997 -12.945 -32.977 1.00 0.00 O ATOM 849 ND2 ASN A 61 18.572 -11.001 -32.080 1.00 0.00 N ATOM 0 H ASN A 61 20.197 -10.412 -29.674 1.00 0.00 H new ATOM 0 HA ASN A 61 21.140 -13.133 -30.472 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.215 -10.762 -32.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.483 -12.453 -32.740 1.00 0.00 H new ATOM 0 HD21 ASN A 61 17.577 -11.104 -32.277 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.916 -10.161 -31.615 1.00 0.00 H new ATOM 856 N TYR A 62 22.562 -10.604 -29.293 1.00 0.00 N ATOM 857 CA TYR A 62 23.870 -10.031 -28.861 1.00 0.00 C ATOM 858 C TYR A 62 24.269 -10.631 -27.511 1.00 0.00 C ATOM 859 O TYR A 62 25.434 -10.697 -27.170 1.00 0.00 O ATOM 860 CB TYR A 62 23.746 -8.513 -28.720 1.00 0.00 C ATOM 861 CG TYR A 62 23.845 -7.867 -30.081 1.00 0.00 C ATOM 862 CD1 TYR A 62 22.982 -8.264 -31.110 1.00 0.00 C ATOM 863 CD2 TYR A 62 24.800 -6.871 -30.314 1.00 0.00 C ATOM 864 CE1 TYR A 62 23.075 -7.664 -32.371 1.00 0.00 C ATOM 865 CE2 TYR A 62 24.892 -6.271 -31.575 1.00 0.00 C ATOM 866 CZ TYR A 62 24.031 -6.668 -32.604 1.00 0.00 C ATOM 867 OH TYR A 62 24.122 -6.077 -33.848 1.00 0.00 O ATOM 0 H TYR A 62 21.746 -10.247 -28.796 1.00 0.00 H new ATOM 0 HA TYR A 62 24.629 -10.267 -29.607 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.794 -8.258 -28.254 1.00 0.00 H new ATOM 0 HB3 TYR A 62 24.533 -8.133 -28.068 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.245 -9.033 -30.931 1.00 0.00 H new ATOM 0 HD2 TYR A 62 25.466 -6.565 -29.521 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.409 -7.969 -33.165 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.628 -5.501 -31.754 1.00 0.00 H new ATOM 0 HH TYR A 62 24.836 -5.406 -33.840 1.00 0.00 H new ATOM 877 N VAL A 63 23.312 -11.069 -26.739 1.00 0.00 N ATOM 878 CA VAL A 63 23.637 -11.666 -25.410 1.00 0.00 C ATOM 879 C VAL A 63 23.068 -13.083 -25.333 1.00 0.00 C ATOM 880 O VAL A 63 22.179 -13.446 -26.076 1.00 0.00 O ATOM 881 CB VAL A 63 23.019 -10.812 -24.301 1.00 0.00 C ATOM 882 CG1 VAL A 63 23.505 -9.369 -24.438 1.00 0.00 C ATOM 883 CG2 VAL A 63 21.494 -10.853 -24.414 1.00 0.00 C ATOM 0 H VAL A 63 22.319 -11.040 -26.970 1.00 0.00 H new ATOM 0 HA VAL A 63 24.719 -11.700 -25.285 1.00 0.00 H new ATOM 0 HB VAL A 63 23.320 -11.205 -23.330 1.00 0.00 H new ATOM 0 HG11 VAL A 63 23.065 -8.760 -23.648 1.00 0.00 H new ATOM 0 HG12 VAL A 63 24.591 -9.342 -24.355 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.206 -8.975 -25.409 1.00 0.00 H new ATOM 0 HG21 VAL A 63 21.054 -10.245 -23.624 1.00 0.00 H new ATOM 0 HG22 VAL A 63 21.190 -10.462 -25.385 1.00 0.00 H new ATOM 0 HG23 VAL A 63 21.149 -11.882 -24.314 1.00 0.00 H new ATOM 893 N ALA A 64 23.568 -13.885 -24.432 1.00 0.00 N ATOM 894 CA ALA A 64 23.047 -15.276 -24.305 1.00 0.00 C ATOM 895 C ALA A 64 23.341 -15.807 -22.903 1.00 0.00 C ATOM 896 O ALA A 64 23.671 -15.063 -22.000 1.00 0.00 O ATOM 897 CB ALA A 64 23.716 -16.175 -25.346 1.00 0.00 C ATOM 0 H ALA A 64 24.313 -13.638 -23.780 1.00 0.00 H new ATOM 0 HA ALA A 64 21.970 -15.274 -24.472 1.00 0.00 H new ATOM 0 HB1 ALA A 64 23.333 -17.191 -25.250 1.00 0.00 H new ATOM 0 HB2 ALA A 64 23.499 -15.798 -26.346 1.00 0.00 H new ATOM 0 HB3 ALA A 64 24.794 -16.178 -25.186 1.00 0.00 H new ATOM 903 N LYS A 65 23.221 -17.090 -22.716 1.00 0.00 N ATOM 904 CA LYS A 65 23.490 -17.678 -21.374 1.00 0.00 C ATOM 905 C LYS A 65 25.000 -17.828 -21.175 1.00 0.00 C ATOM 906 O LYS A 65 25.711 -18.272 -22.054 1.00 0.00 O ATOM 907 CB LYS A 65 22.823 -19.051 -21.276 1.00 0.00 C ATOM 908 CG LYS A 65 21.335 -18.921 -21.610 1.00 0.00 C ATOM 909 CD LYS A 65 20.540 -19.947 -20.800 1.00 0.00 C ATOM 910 CE LYS A 65 19.520 -19.223 -19.919 1.00 0.00 C ATOM 911 NZ LYS A 65 18.695 -18.312 -20.762 1.00 0.00 N ATOM 0 H LYS A 65 22.948 -17.759 -23.436 1.00 0.00 H new ATOM 0 HA LYS A 65 23.086 -17.022 -20.603 1.00 0.00 H new ATOM 0 HB2 LYS A 65 23.301 -19.749 -21.963 1.00 0.00 H new ATOM 0 HB3 LYS A 65 22.947 -19.457 -20.272 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.987 -17.913 -21.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.175 -19.081 -22.676 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.031 -20.639 -21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.214 -20.540 -20.182 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.881 -19.947 -19.414 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.032 -18.654 -19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.722 -18.285 -20.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.101 -17.355 -20.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.685 -18.660 -21.742 1.00 0.00 H new ATOM 925 N LEU A 66 25.495 -17.460 -20.025 1.00 0.00 N ATOM 926 CA LEU A 66 26.958 -17.582 -19.770 1.00 0.00 C ATOM 927 C LEU A 66 27.318 -19.055 -19.564 1.00 0.00 C ATOM 928 O LEU A 66 26.877 -19.686 -18.624 1.00 0.00 O ATOM 929 CB LEU A 66 27.324 -16.786 -18.516 1.00 0.00 C ATOM 930 CG LEU A 66 28.846 -16.735 -18.371 1.00 0.00 C ATOM 931 CD1 LEU A 66 29.349 -15.344 -18.762 1.00 0.00 C ATOM 932 CD2 LEU A 66 29.231 -17.026 -16.919 1.00 0.00 C ATOM 0 H LEU A 66 24.950 -17.080 -19.251 1.00 0.00 H new ATOM 0 HA LEU A 66 27.511 -17.189 -20.623 1.00 0.00 H new ATOM 0 HB2 LEU A 66 26.920 -15.776 -18.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 26.879 -17.249 -17.635 1.00 0.00 H new ATOM 0 HG LEU A 66 29.298 -17.482 -19.023 1.00 0.00 H new ATOM 0 HD11 LEU A 66 30.433 -15.307 -18.659 1.00 0.00 H new ATOM 0 HD12 LEU A 66 29.076 -15.136 -19.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 28.897 -14.597 -18.110 1.00 0.00 H new ATOM 0 HD21 LEU A 66 30.316 -16.990 -16.816 1.00 0.00 H new ATOM 0 HD22 LEU A 66 28.779 -16.279 -16.266 1.00 0.00 H new ATOM 0 HD23 LEU A 66 28.873 -18.017 -16.639 1.00 0.00 H new ATOM 944 N ASN A 67 28.116 -19.608 -20.436 1.00 0.00 N ATOM 945 CA ASN A 67 28.503 -21.039 -20.289 1.00 0.00 C ATOM 946 C ASN A 67 30.012 -21.185 -20.498 1.00 0.00 C ATOM 947 O ASN A 67 30.539 -22.278 -20.537 1.00 0.00 O ATOM 948 CB ASN A 67 27.761 -21.877 -21.332 1.00 0.00 C ATOM 949 CG ASN A 67 28.139 -23.349 -21.167 1.00 0.00 C ATOM 950 OD1 ASN A 67 27.650 -24.018 -20.277 1.00 0.00 O ATOM 951 ND2 ASN A 67 28.996 -23.888 -21.991 1.00 0.00 N ATOM 0 H ASN A 67 28.516 -19.131 -21.244 1.00 0.00 H new ATOM 0 HA ASN A 67 28.240 -21.385 -19.289 1.00 0.00 H new ATOM 0 HB2 ASN A 67 26.684 -21.752 -21.216 1.00 0.00 H new ATOM 0 HB3 ASN A 67 28.015 -21.536 -22.336 1.00 0.00 H new ATOM 0 HD21 ASN A 67 29.255 -24.869 -21.888 1.00 0.00 H new ATOM 0 HD22 ASN A 67 29.407 -23.328 -22.738 1.00 0.00 H new ATOM 958 N THR A 68 30.711 -20.091 -20.631 1.00 0.00 N ATOM 959 CA THR A 68 32.185 -20.171 -20.838 1.00 0.00 C ATOM 960 C THR A 68 32.878 -19.103 -19.989 1.00 0.00 C ATOM 961 O THR A 68 32.218 -18.142 -19.627 1.00 0.00 O ATOM 962 CB THR A 68 32.506 -19.935 -22.316 1.00 0.00 C ATOM 963 OG1 THR A 68 31.781 -18.806 -22.782 1.00 0.00 O ATOM 964 CG2 THR A 68 32.111 -21.169 -23.129 1.00 0.00 C ATOM 965 OXT THR A 68 34.055 -19.263 -19.715 1.00 0.00 O ATOM 0 H THR A 68 30.326 -19.147 -20.605 1.00 0.00 H new ATOM 0 HA THR A 68 32.541 -21.158 -20.542 1.00 0.00 H new ATOM 0 HB THR A 68 33.575 -19.754 -22.432 1.00 0.00 H new ATOM 0 HG1 THR A 68 31.987 -18.653 -23.728 1.00 0.00 H new ATOM 0 HG21 THR A 68 32.340 -21.000 -24.181 1.00 0.00 H new ATOM 0 HG22 THR A 68 32.668 -22.034 -22.771 1.00 0.00 H new ATOM 0 HG23 THR A 68 31.043 -21.353 -23.015 1.00 0.00 H new TER 973 THR A 68