USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 89:sc= 0.0427 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.346 K(o=0.39,f=-4.9!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.145 F(o=-1.2!,f=0.9) USER MOD Set 2.2: A 70 TYR OH : rot 150:sc= 1.05 USER MOD Set 3.1: A 62 LYS NZ :NH3+ -139:sc= 1.25 (180deg=-0.0582) USER MOD Set 3.2: A 64 SER OG : rot -81:sc= -1.31! USER MOD Set 4.1: A 20 ASN : amide:sc= -0.216 X(o=-2.6,f=-2.4) USER MOD Set 4.2: A 22 GLN : amide:sc= -2.36! C(o=-2.6!,f=-5.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0248 F(o=-0.84,f=-0.025) USER MOD Single : A 10 ASN : amide:sc= -3.01! C(o=-3!,f=-2.6!) USER MOD Single : A 11 MET CE :methyl -145:sc= -0.761 (180deg=-2.69!) USER MOD Single : A 12 GLN :FLIP amide:sc= 0.057 F(o=-1.8,f=0.057) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -157:sc= 1.46 USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -2.88 (180deg=-6.45!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 33 GLN :FLIP amide:sc= -1.06 F(o=-1.8!,f=-1.1) USER MOD Single : A 35 SER OG : rot -64:sc= 1.37 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -1.95! (180deg=-2.42!) USER MOD Single : A 42 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.019) USER MOD Single : A 45 THR OG1 : rot -63:sc= -0.869 USER MOD Single : A 47 MET CE :methyl 133:sc= -0.423 (180deg=-2.06!) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.58 (180deg=1.41) USER MOD Single : A 52 GLN : amide:sc= -0.681 K(o=-0.68,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.884 X(o=-0.88,f=-0.85) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc=-0.00664 F(o=-1.5!,f=-0.0066) USER MOD Single : A 72 MET CE :methyl -134:sc= -0.74 (180deg=-1.85) USER MOD Single : A 79 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.535 -1.197 -0.922 1.00 0.00 N ATOM 2 CA PRO A 1 1.587 -1.013 -1.945 1.00 0.00 C ATOM 3 C PRO A 1 1.665 -2.254 -2.817 1.00 0.00 C ATOM 4 O PRO A 1 0.823 -3.140 -2.699 1.00 0.00 O ATOM 5 CB PRO A 1 2.914 -0.769 -1.248 1.00 0.00 C ATOM 6 CG PRO A 1 2.654 -1.228 0.140 1.00 0.00 C ATOM 7 CD PRO A 1 1.184 -0.983 0.388 1.00 0.00 C ATOM 0 H2 PRO A 1 0.132 -2.132 -0.979 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.228 -0.535 -1.062 1.00 0.00 H new ATOM 0 HA PRO A 1 1.353 -0.157 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.723 -1.331 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.198 0.283 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.899 -2.284 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.268 -0.679 0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.791 -1.667 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.009 0.028 0.755 1.00 0.00 H new ATOM 17 N VAL A 2 2.656 -2.320 -3.696 1.00 0.00 N ATOM 18 CA VAL A 2 2.833 -3.496 -4.540 1.00 0.00 C ATOM 19 C VAL A 2 4.255 -4.024 -4.427 1.00 0.00 C ATOM 20 O VAL A 2 5.190 -3.270 -4.142 1.00 0.00 O ATOM 21 CB VAL A 2 2.518 -3.214 -6.027 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.119 -2.646 -6.186 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.554 -2.286 -6.645 1.00 0.00 C ATOM 0 H VAL A 2 3.344 -1.581 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 2 2.124 -4.242 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 2 2.562 -4.163 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.921 -2.456 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.390 -3.361 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.040 -1.713 -5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.304 -2.107 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.561 -1.338 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.540 -2.747 -6.581 1.00 0.00 H new ATOM 33 N SER A 3 4.419 -5.315 -4.650 1.00 0.00 N ATOM 34 CA SER A 3 5.727 -5.928 -4.568 1.00 0.00 C ATOM 35 C SER A 3 6.417 -5.849 -5.919 1.00 0.00 C ATOM 36 O SER A 3 5.894 -6.325 -6.926 1.00 0.00 O ATOM 37 CB SER A 3 5.614 -7.380 -4.107 1.00 0.00 C ATOM 38 OG SER A 3 4.942 -7.464 -2.860 1.00 0.00 O ATOM 0 H SER A 3 3.663 -5.956 -4.889 1.00 0.00 H new ATOM 0 HA SER A 3 6.324 -5.387 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.076 -7.962 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.609 -7.816 -4.019 1.00 0.00 H new ATOM 0 HG SER A 3 3.977 -7.536 -3.013 1.00 0.00 H new ATOM 44 N ILE A 4 7.580 -5.240 -5.941 1.00 0.00 N ATOM 45 CA ILE A 4 8.297 -5.024 -7.181 1.00 0.00 C ATOM 46 C ILE A 4 9.710 -5.566 -7.089 1.00 0.00 C ATOM 47 O ILE A 4 10.337 -5.525 -6.033 1.00 0.00 O ATOM 48 CB ILE A 4 8.334 -3.536 -7.552 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.745 -2.689 -6.352 1.00 0.00 C ATOM 50 CG2 ILE A 4 6.976 -3.095 -8.073 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.872 -1.216 -6.666 1.00 0.00 C ATOM 0 H ILE A 4 8.053 -4.883 -5.111 1.00 0.00 H new ATOM 0 HA ILE A 4 7.762 -5.562 -7.964 1.00 0.00 H new ATOM 0 HB ILE A 4 9.076 -3.393 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.011 -2.820 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.698 -3.054 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.012 -2.037 -8.334 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.719 -3.678 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.222 -3.253 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.167 -0.676 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.627 -1.073 -7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.914 -0.835 -7.020 1.00 0.00 H new ATOM 63 N LYS A 5 10.211 -6.085 -8.192 1.00 0.00 N ATOM 64 CA LYS A 5 11.507 -6.733 -8.186 1.00 0.00 C ATOM 65 C LYS A 5 12.406 -6.155 -9.252 1.00 0.00 C ATOM 66 O LYS A 5 11.942 -5.744 -10.310 1.00 0.00 O ATOM 67 CB LYS A 5 11.349 -8.232 -8.419 1.00 0.00 C ATOM 68 CG LYS A 5 10.242 -8.855 -7.595 1.00 0.00 C ATOM 69 CD LYS A 5 9.934 -10.265 -8.053 1.00 0.00 C ATOM 70 CE LYS A 5 8.438 -10.512 -8.086 1.00 0.00 C ATOM 71 NZ LYS A 5 8.119 -11.915 -8.463 1.00 0.00 N ATOM 0 H LYS A 5 9.744 -6.071 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 5 11.962 -6.560 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.149 -8.409 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.290 -8.730 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.533 -8.868 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.343 -8.243 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.355 -10.429 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.410 -10.981 -7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.012 -10.293 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.972 -9.830 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.087 -12.045 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.504 -12.117 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.542 -12.565 -7.770 1.00 0.00 H new ATOM 85 N VAL A 6 13.690 -6.137 -8.963 1.00 0.00 N ATOM 86 CA VAL A 6 14.686 -5.677 -9.911 1.00 0.00 C ATOM 87 C VAL A 6 15.715 -6.769 -10.138 1.00 0.00 C ATOM 88 O VAL A 6 16.544 -7.054 -9.266 1.00 0.00 O ATOM 89 CB VAL A 6 15.394 -4.386 -9.433 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.382 -3.894 -10.479 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.376 -3.303 -9.105 1.00 0.00 C ATOM 0 H VAL A 6 14.073 -6.440 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 6 14.172 -5.444 -10.843 1.00 0.00 H new ATOM 0 HB VAL A 6 15.948 -4.620 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.868 -2.986 -10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.135 -4.662 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.853 -3.681 -11.408 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.895 -2.405 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.789 -3.074 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.713 -3.654 -8.314 1.00 0.00 H new ATOM 101 N GLN A 7 15.631 -7.405 -11.292 1.00 0.00 N ATOM 102 CA GLN A 7 16.539 -8.479 -11.640 1.00 0.00 C ATOM 103 C GLN A 7 17.922 -7.918 -11.912 1.00 0.00 C ATOM 104 O GLN A 7 18.163 -7.304 -12.946 1.00 0.00 O ATOM 105 CB GLN A 7 16.031 -9.245 -12.864 1.00 0.00 C ATOM 106 CG GLN A 7 16.246 -10.747 -12.778 1.00 0.00 C ATOM 107 CD GLN A 7 17.707 -11.133 -12.846 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.391 -10.992 -11.732 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 18.225 -11.488 -13.905 1.00 0.00 N flip ATOM 0 H GLN A 7 14.937 -7.193 -12.009 1.00 0.00 H new ATOM 0 HA GLN A 7 16.592 -9.173 -10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.967 -9.046 -12.990 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.534 -8.865 -13.753 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.820 -11.118 -11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.708 -11.234 -13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.654 -11.584 -14.745 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.225 -11.686 -13.942 1.00 0.00 H new ATOM 118 N VAL A 8 18.814 -8.122 -10.962 1.00 0.00 N ATOM 119 CA VAL A 8 20.183 -7.672 -11.075 1.00 0.00 C ATOM 120 C VAL A 8 20.967 -8.585 -12.012 1.00 0.00 C ATOM 121 O VAL A 8 20.929 -9.805 -11.867 1.00 0.00 O ATOM 122 CB VAL A 8 20.844 -7.638 -9.680 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.350 -7.512 -9.778 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.268 -6.500 -8.857 1.00 0.00 C ATOM 0 H VAL A 8 18.607 -8.606 -10.089 1.00 0.00 H new ATOM 0 HA VAL A 8 20.189 -6.665 -11.492 1.00 0.00 H new ATOM 0 HB VAL A 8 20.626 -8.583 -9.183 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.779 -7.491 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.751 -8.364 -10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.605 -6.590 -10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.741 -6.485 -7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.455 -5.553 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.194 -6.643 -8.740 1.00 0.00 H new ATOM 134 N PRO A 9 21.695 -8.014 -12.984 1.00 0.00 N ATOM 135 CA PRO A 9 22.437 -8.805 -13.965 1.00 0.00 C ATOM 136 C PRO A 9 23.635 -9.513 -13.333 1.00 0.00 C ATOM 137 O PRO A 9 24.184 -9.055 -12.324 1.00 0.00 O ATOM 138 CB PRO A 9 22.894 -7.762 -14.989 1.00 0.00 C ATOM 139 CG PRO A 9 22.973 -6.492 -14.223 1.00 0.00 C ATOM 140 CD PRO A 9 21.880 -6.562 -13.194 1.00 0.00 C ATOM 0 HA PRO A 9 21.834 -9.601 -14.401 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.860 -8.026 -15.419 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.188 -7.683 -15.816 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.949 -6.382 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.838 -5.632 -14.878 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.165 -6.056 -12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.965 -6.088 -13.548 1.00 0.00 H new ATOM 148 N ASN A 10 24.021 -10.642 -13.913 1.00 0.00 N ATOM 149 CA ASN A 10 25.148 -11.417 -13.409 1.00 0.00 C ATOM 150 C ASN A 10 26.467 -10.762 -13.783 1.00 0.00 C ATOM 151 O ASN A 10 27.085 -11.114 -14.787 1.00 0.00 O ATOM 152 CB ASN A 10 25.111 -12.848 -13.954 1.00 0.00 C ATOM 153 CG ASN A 10 24.112 -13.733 -13.238 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.939 -13.791 -13.609 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.566 -14.434 -12.211 1.00 0.00 N ATOM 0 H ASN A 10 23.569 -11.043 -14.735 1.00 0.00 H new ATOM 0 HA ASN A 10 25.067 -11.450 -12.323 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.866 -12.819 -15.016 1.00 0.00 H new ATOM 0 HB3 ASN A 10 26.104 -13.289 -13.868 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.937 -15.050 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.545 -14.358 -11.935 1.00 0.00 H new ATOM 162 N MET A 11 26.890 -9.793 -12.985 1.00 0.00 N ATOM 163 CA MET A 11 28.143 -9.115 -13.231 1.00 0.00 C ATOM 164 C MET A 11 28.945 -8.994 -11.943 1.00 0.00 C ATOM 165 O MET A 11 29.092 -7.909 -11.392 1.00 0.00 O ATOM 166 CB MET A 11 27.836 -7.737 -13.828 1.00 0.00 C ATOM 167 CG MET A 11 27.453 -7.824 -15.293 1.00 0.00 C ATOM 168 SD MET A 11 26.132 -6.694 -15.785 1.00 0.00 S ATOM 169 CE MET A 11 26.857 -5.105 -15.416 1.00 0.00 C ATOM 0 H MET A 11 26.382 -9.463 -12.165 1.00 0.00 H new ATOM 0 HA MET A 11 28.749 -9.687 -13.934 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.024 -7.272 -13.268 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.708 -7.092 -13.719 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.335 -7.619 -15.900 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.143 -8.845 -15.515 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.081 -4.424 -15.066 1.00 0.00 H new ATOM 0 HE2 MET A 11 27.614 -5.222 -14.641 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.319 -4.698 -16.316 1.00 0.00 H new ATOM 179 N GLN A 12 29.503 -10.123 -11.501 1.00 0.00 N ATOM 180 CA GLN A 12 30.225 -10.174 -10.230 1.00 0.00 C ATOM 181 C GLN A 12 31.636 -9.648 -10.397 1.00 0.00 C ATOM 182 O GLN A 12 32.132 -8.864 -9.589 1.00 0.00 O ATOM 183 CB GLN A 12 30.300 -11.608 -9.687 1.00 0.00 C ATOM 184 CG GLN A 12 28.967 -12.334 -9.614 1.00 0.00 C ATOM 185 CD GLN A 12 28.701 -13.198 -10.828 1.00 0.00 C ATOM 186 OE1 GLN A 12 28.010 -12.643 -11.808 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 29.092 -14.361 -10.877 1.00 0.00 N flip ATOM 0 H GLN A 12 29.469 -11.010 -12.003 1.00 0.00 H new ATOM 0 HA GLN A 12 29.676 -9.551 -9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.977 -12.185 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.738 -11.581 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.946 -12.956 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.165 -11.602 -9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 12 29.623 -14.754 -10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.886 -14.934 -11.695 1.00 0.00 H new ATOM 196 N ASP A 13 32.266 -10.099 -11.461 1.00 0.00 N ATOM 197 CA ASP A 13 33.654 -9.773 -11.738 1.00 0.00 C ATOM 198 C ASP A 13 33.733 -8.923 -12.991 1.00 0.00 C ATOM 199 O ASP A 13 34.812 -8.567 -13.454 1.00 0.00 O ATOM 200 CB ASP A 13 34.467 -11.057 -11.935 1.00 0.00 C ATOM 201 CG ASP A 13 34.532 -11.929 -10.693 1.00 0.00 C ATOM 202 OD1 ASP A 13 33.523 -12.592 -10.367 1.00 0.00 O ATOM 203 OD2 ASP A 13 35.604 -11.982 -10.055 1.00 0.00 O ATOM 0 H ASP A 13 31.833 -10.702 -12.160 1.00 0.00 H new ATOM 0 HA ASP A 13 34.066 -9.219 -10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.030 -11.633 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.480 -10.793 -12.238 1.00 0.00 H new ATOM 208 N LYS A 14 32.568 -8.589 -13.525 1.00 0.00 N ATOM 209 CA LYS A 14 32.483 -7.886 -14.799 1.00 0.00 C ATOM 210 C LYS A 14 32.467 -6.386 -14.566 1.00 0.00 C ATOM 211 O LYS A 14 32.521 -5.594 -15.507 1.00 0.00 O ATOM 212 CB LYS A 14 31.216 -8.297 -15.557 1.00 0.00 C ATOM 213 CG LYS A 14 30.783 -9.734 -15.304 1.00 0.00 C ATOM 214 CD LYS A 14 31.822 -10.740 -15.765 1.00 0.00 C ATOM 215 CE LYS A 14 31.451 -12.138 -15.307 1.00 0.00 C ATOM 216 NZ LYS A 14 32.330 -13.174 -15.907 1.00 0.00 N ATOM 0 H LYS A 14 31.666 -8.793 -13.096 1.00 0.00 H new ATOM 0 HA LYS A 14 33.355 -8.152 -15.396 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.403 -7.628 -15.275 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.384 -8.162 -16.625 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.595 -9.872 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.843 -9.924 -15.821 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.902 -10.717 -16.852 1.00 0.00 H new ATOM 0 HD3 LYS A 14 32.800 -10.469 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.517 -12.192 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.414 -12.343 -15.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.041 -14.114 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.249 -13.141 -16.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.317 -12.994 -15.631 1.00 0.00 H new ATOM 230 N THR A 15 32.387 -6.014 -13.301 1.00 0.00 N ATOM 231 CA THR A 15 32.281 -4.622 -12.912 1.00 0.00 C ATOM 232 C THR A 15 32.529 -4.480 -11.408 1.00 0.00 C ATOM 233 O THR A 15 32.837 -5.464 -10.733 1.00 0.00 O ATOM 234 CB THR A 15 30.892 -4.054 -13.287 1.00 0.00 C ATOM 235 OG1 THR A 15 30.832 -2.647 -13.021 1.00 0.00 O ATOM 236 CG2 THR A 15 29.787 -4.772 -12.524 1.00 0.00 C ATOM 0 H THR A 15 32.394 -6.667 -12.518 1.00 0.00 H new ATOM 0 HA THR A 15 33.037 -4.051 -13.450 1.00 0.00 H new ATOM 0 HB THR A 15 30.742 -4.218 -14.354 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.897 -2.374 -12.912 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.820 -4.354 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.808 -5.834 -12.767 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.941 -4.642 -11.453 1.00 0.00 H new ATOM 244 N GLU A 16 32.384 -3.266 -10.891 1.00 0.00 N ATOM 245 CA GLU A 16 32.654 -2.983 -9.486 1.00 0.00 C ATOM 246 C GLU A 16 31.354 -2.745 -8.714 1.00 0.00 C ATOM 247 O GLU A 16 31.372 -2.373 -7.537 1.00 0.00 O ATOM 248 CB GLU A 16 33.585 -1.771 -9.374 1.00 0.00 C ATOM 249 CG GLU A 16 33.039 -0.507 -10.025 1.00 0.00 C ATOM 250 CD GLU A 16 34.069 0.603 -10.092 1.00 0.00 C ATOM 251 OE1 GLU A 16 34.465 1.116 -9.026 1.00 0.00 O ATOM 252 OE2 GLU A 16 34.489 0.973 -11.209 1.00 0.00 O ATOM 0 H GLU A 16 32.078 -2.455 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 16 33.145 -3.849 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.778 -1.570 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.543 -2.018 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.695 -0.741 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.171 -0.159 -9.465 1.00 0.00 H new ATOM 259 N TRP A 17 30.228 -2.979 -9.380 1.00 0.00 N ATOM 260 CA TRP A 17 28.921 -2.822 -8.753 1.00 0.00 C ATOM 261 C TRP A 17 28.546 -4.100 -8.010 1.00 0.00 C ATOM 262 O TRP A 17 29.154 -5.146 -8.223 1.00 0.00 O ATOM 263 CB TRP A 17 27.848 -2.501 -9.799 1.00 0.00 C ATOM 264 CG TRP A 17 28.180 -1.315 -10.650 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.630 -0.101 -10.226 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.078 -1.230 -12.073 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.819 0.733 -11.298 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.486 0.062 -12.445 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.681 -2.124 -13.067 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.511 0.477 -13.773 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.708 -1.711 -14.383 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.118 -0.421 -14.726 1.00 0.00 C ATOM 0 H TRP A 17 30.195 -3.278 -10.355 1.00 0.00 H new ATOM 0 HA TRP A 17 28.977 -1.992 -8.048 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.706 -3.370 -10.441 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.900 -2.321 -9.292 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.812 0.166 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.153 1.696 -11.249 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.358 -3.122 -12.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.830 1.473 -14.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.407 -2.397 -15.161 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.125 -0.127 -15.765 1.00 0.00 H new ATOM 283 N LYS A 18 27.532 -4.019 -7.158 1.00 0.00 N ATOM 284 CA LYS A 18 27.109 -5.159 -6.350 1.00 0.00 C ATOM 285 C LYS A 18 26.229 -6.123 -7.160 1.00 0.00 C ATOM 286 O LYS A 18 25.401 -6.852 -6.609 1.00 0.00 O ATOM 287 CB LYS A 18 26.358 -4.666 -5.103 1.00 0.00 C ATOM 288 CG LYS A 18 24.983 -4.080 -5.393 1.00 0.00 C ATOM 289 CD LYS A 18 23.885 -4.993 -4.869 1.00 0.00 C ATOM 290 CE LYS A 18 22.796 -5.231 -5.902 1.00 0.00 C ATOM 291 NZ LYS A 18 21.891 -4.058 -6.032 1.00 0.00 N ATOM 0 H LYS A 18 26.984 -3.172 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 18 27.999 -5.706 -6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.247 -5.498 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.964 -3.911 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 18 24.897 -3.097 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 18 24.862 -3.938 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.319 -5.948 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.445 -4.553 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.252 -5.446 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.215 -6.109 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.548 -3.991 -7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.081 -4.171 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.410 -3.191 -5.786 1.00 0.00 H new ATOM 305 N LEU A 19 26.427 -6.153 -8.464 1.00 0.00 N ATOM 306 CA LEU A 19 25.606 -6.975 -9.336 1.00 0.00 C ATOM 307 C LEU A 19 26.116 -8.414 -9.319 1.00 0.00 C ATOM 308 O LEU A 19 27.280 -8.659 -9.585 1.00 0.00 O ATOM 309 CB LEU A 19 25.642 -6.426 -10.766 1.00 0.00 C ATOM 310 CG LEU A 19 25.406 -4.921 -10.891 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.369 -4.509 -12.347 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.121 -4.520 -10.196 1.00 0.00 C ATOM 0 H LEU A 19 27.150 -5.617 -8.945 1.00 0.00 H new ATOM 0 HA LEU A 19 24.577 -6.955 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.611 -6.663 -11.205 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.888 -6.946 -11.357 1.00 0.00 H new ATOM 0 HG LEU A 19 26.234 -4.405 -10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.200 -3.434 -12.417 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.319 -4.759 -12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.561 -5.037 -12.854 1.00 0.00 H new ATOM 0 HD21 LEU A 19 23.973 -3.445 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.282 -5.047 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.183 -4.780 -9.139 1.00 0.00 H new ATOM 324 N ASN A 20 25.260 -9.367 -8.980 1.00 0.00 N ATOM 325 CA ASN A 20 25.704 -10.758 -8.865 1.00 0.00 C ATOM 326 C ASN A 20 24.695 -11.713 -9.472 1.00 0.00 C ATOM 327 O ASN A 20 24.762 -12.919 -9.252 1.00 0.00 O ATOM 328 CB ASN A 20 25.949 -11.123 -7.398 1.00 0.00 C ATOM 329 CG ASN A 20 27.131 -10.384 -6.804 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.228 -10.930 -6.683 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.921 -9.122 -6.475 1.00 0.00 N ATOM 0 H ASN A 20 24.271 -9.213 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 20 26.638 -10.852 -9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.055 -10.897 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.119 -12.197 -7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.685 -8.558 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.995 -8.712 -6.593 1.00 0.00 H new ATOM 338 N GLY A 21 23.780 -11.175 -10.258 1.00 0.00 N ATOM 339 CA GLY A 21 22.757 -12.001 -10.856 1.00 0.00 C ATOM 340 C GLY A 21 21.637 -12.325 -9.895 1.00 0.00 C ATOM 341 O GLY A 21 20.839 -13.226 -10.148 1.00 0.00 O ATOM 0 H GLY A 21 23.727 -10.184 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.347 -11.491 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.206 -12.929 -11.211 1.00 0.00 H new ATOM 345 N GLN A 22 21.581 -11.607 -8.778 1.00 0.00 N ATOM 346 CA GLN A 22 20.511 -11.810 -7.813 1.00 0.00 C ATOM 347 C GLN A 22 19.305 -10.950 -8.175 1.00 0.00 C ATOM 348 O GLN A 22 19.349 -10.161 -9.114 1.00 0.00 O ATOM 349 CB GLN A 22 20.976 -11.488 -6.388 1.00 0.00 C ATOM 350 CG GLN A 22 21.281 -10.017 -6.158 1.00 0.00 C ATOM 351 CD GLN A 22 22.760 -9.732 -6.022 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.526 -10.558 -5.535 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.170 -8.558 -6.465 1.00 0.00 N ATOM 0 H GLN A 22 22.257 -10.887 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 22 20.226 -12.862 -7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.205 -11.804 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.869 -12.073 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.880 -9.435 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.768 -9.682 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.499 -7.900 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.157 -8.308 -6.410 1.00 0.00 H new ATOM 362 N VAL A 23 18.239 -11.095 -7.419 1.00 0.00 N ATOM 363 CA VAL A 23 17.015 -10.352 -7.672 1.00 0.00 C ATOM 364 C VAL A 23 16.651 -9.509 -6.459 1.00 0.00 C ATOM 365 O VAL A 23 16.530 -10.026 -5.347 1.00 0.00 O ATOM 366 CB VAL A 23 15.836 -11.293 -8.011 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.584 -10.493 -8.352 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.198 -12.229 -9.155 1.00 0.00 C ATOM 0 H VAL A 23 18.191 -11.724 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 23 17.198 -9.706 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 23 15.627 -11.898 -7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.768 -11.177 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.304 -9.874 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.783 -9.856 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.352 -12.880 -9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.443 -11.643 -10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.058 -12.835 -8.871 1.00 0.00 H new ATOM 378 N LEU A 24 16.481 -8.214 -6.675 1.00 0.00 N ATOM 379 CA LEU A 24 16.100 -7.313 -5.603 1.00 0.00 C ATOM 380 C LEU A 24 14.590 -7.289 -5.479 1.00 0.00 C ATOM 381 O LEU A 24 13.883 -7.323 -6.483 1.00 0.00 O ATOM 382 CB LEU A 24 16.609 -5.897 -5.872 1.00 0.00 C ATOM 383 CG LEU A 24 18.120 -5.765 -6.055 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.493 -4.313 -6.323 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.852 -6.291 -4.829 1.00 0.00 C ATOM 0 H LEU A 24 16.601 -7.765 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 24 16.547 -7.671 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.118 -5.517 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.303 -5.257 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 24 18.422 -6.363 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.572 -4.232 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.993 -3.970 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.181 -3.696 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.927 -6.190 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.550 -5.719 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.604 -7.342 -4.680 1.00 0.00 H new ATOM 397 N VAL A 25 14.098 -7.231 -4.256 1.00 0.00 N ATOM 398 CA VAL A 25 12.670 -7.233 -4.014 1.00 0.00 C ATOM 399 C VAL A 25 12.303 -6.096 -3.080 1.00 0.00 C ATOM 400 O VAL A 25 12.623 -6.112 -1.891 1.00 0.00 O ATOM 401 CB VAL A 25 12.174 -8.571 -3.422 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.670 -8.531 -3.192 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.543 -9.739 -4.327 1.00 0.00 C ATOM 0 H VAL A 25 14.670 -7.182 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 25 12.180 -7.100 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 25 12.668 -8.717 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.340 -9.482 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.430 -7.727 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.162 -8.355 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.182 -10.669 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.085 -9.599 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.626 -9.786 -4.437 1.00 0.00 H new ATOM 413 N PHE A 26 11.652 -5.101 -3.639 1.00 0.00 N ATOM 414 CA PHE A 26 11.222 -3.942 -2.889 1.00 0.00 C ATOM 415 C PHE A 26 9.705 -3.878 -2.907 1.00 0.00 C ATOM 416 O PHE A 26 9.059 -4.541 -3.716 1.00 0.00 O ATOM 417 CB PHE A 26 11.797 -2.665 -3.509 1.00 0.00 C ATOM 418 CG PHE A 26 13.292 -2.523 -3.397 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.132 -3.142 -4.309 1.00 0.00 C ATOM 420 CD2 PHE A 26 13.859 -1.758 -2.386 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.505 -3.004 -4.215 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.231 -1.618 -2.289 1.00 0.00 C ATOM 423 CZ PHE A 26 16.054 -2.241 -3.204 1.00 0.00 C ATOM 0 H PHE A 26 11.405 -5.072 -4.628 1.00 0.00 H new ATOM 0 HA PHE A 26 11.580 -4.024 -1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.522 -2.635 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.328 -1.804 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.709 -3.740 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.220 -1.267 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.147 -3.493 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.658 -1.021 -1.497 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.126 -2.132 -3.130 1.00 0.00 H new ATOM 433 N THR A 27 9.128 -3.111 -2.012 1.00 0.00 N ATOM 434 CA THR A 27 7.698 -2.892 -2.042 1.00 0.00 C ATOM 435 C THR A 27 7.417 -1.399 -2.048 1.00 0.00 C ATOM 436 O THR A 27 7.804 -0.681 -1.125 1.00 0.00 O ATOM 437 CB THR A 27 6.996 -3.544 -0.837 1.00 0.00 C ATOM 438 OG1 THR A 27 7.527 -4.858 -0.609 1.00 0.00 O ATOM 439 CG2 THR A 27 5.493 -3.638 -1.058 1.00 0.00 C ATOM 0 H THR A 27 9.621 -2.631 -1.259 1.00 0.00 H new ATOM 0 HA THR A 27 7.305 -3.354 -2.948 1.00 0.00 H new ATOM 0 HB THR A 27 7.179 -2.916 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.076 -5.264 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.026 -4.103 -0.190 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.083 -2.638 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.292 -4.241 -1.944 1.00 0.00 H new ATOM 447 N LEU A 28 6.765 -0.937 -3.094 1.00 0.00 N ATOM 448 CA LEU A 28 6.455 0.473 -3.240 1.00 0.00 C ATOM 449 C LEU A 28 5.016 0.636 -3.687 1.00 0.00 C ATOM 450 O LEU A 28 4.454 -0.259 -4.315 1.00 0.00 O ATOM 451 CB LEU A 28 7.391 1.140 -4.257 1.00 0.00 C ATOM 452 CG LEU A 28 8.843 1.301 -3.809 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.699 1.812 -4.957 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.934 2.249 -2.628 1.00 0.00 C ATOM 0 H LEU A 28 6.436 -1.521 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 28 6.597 0.957 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.376 0.555 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.993 2.125 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 28 9.217 0.324 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.730 1.921 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.660 1.103 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.322 2.779 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.975 2.351 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.542 3.225 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.350 1.853 -1.797 1.00 0.00 H new ATOM 466 N PRO A 29 4.385 1.751 -3.330 1.00 0.00 N ATOM 467 CA PRO A 29 3.053 2.079 -3.818 1.00 0.00 C ATOM 468 C PRO A 29 3.069 2.337 -5.317 1.00 0.00 C ATOM 469 O PRO A 29 4.093 2.728 -5.879 1.00 0.00 O ATOM 470 CB PRO A 29 2.688 3.358 -3.058 1.00 0.00 C ATOM 471 CG PRO A 29 3.994 3.943 -2.651 1.00 0.00 C ATOM 472 CD PRO A 29 4.909 2.777 -2.414 1.00 0.00 C ATOM 0 HA PRO A 29 2.340 1.270 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.125 4.046 -3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.065 3.139 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.388 4.598 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.888 4.546 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.946 3.026 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.878 2.445 -1.376 1.00 0.00 H new ATOM 480 N LEU A 30 1.930 2.133 -5.956 1.00 0.00 N ATOM 481 CA LEU A 30 1.796 2.364 -7.393 1.00 0.00 C ATOM 482 C LEU A 30 1.962 3.852 -7.714 1.00 0.00 C ATOM 483 O LEU A 30 2.022 4.253 -8.877 1.00 0.00 O ATOM 484 CB LEU A 30 0.428 1.864 -7.870 1.00 0.00 C ATOM 485 CG LEU A 30 0.230 1.809 -9.384 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.192 0.812 -10.005 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.205 1.434 -9.721 1.00 0.00 C ATOM 0 H LEU A 30 1.077 1.806 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 30 2.578 1.813 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.266 0.865 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.342 2.509 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 30 0.435 2.798 -9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.040 0.783 -11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.217 1.114 -9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.011 -0.178 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.327 1.400 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.434 0.456 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.883 2.178 -9.303 1.00 0.00 H new ATOM 499 N THR A 31 2.050 4.661 -6.666 1.00 0.00 N ATOM 500 CA THR A 31 2.162 6.097 -6.806 1.00 0.00 C ATOM 501 C THR A 31 3.601 6.534 -7.068 1.00 0.00 C ATOM 502 O THR A 31 3.838 7.661 -7.506 1.00 0.00 O ATOM 503 CB THR A 31 1.630 6.797 -5.545 1.00 0.00 C ATOM 504 OG1 THR A 31 2.341 6.334 -4.390 1.00 0.00 O ATOM 505 CG2 THR A 31 0.153 6.505 -5.367 1.00 0.00 C ATOM 0 H THR A 31 2.045 4.336 -5.699 1.00 0.00 H new ATOM 0 HA THR A 31 1.561 6.387 -7.668 1.00 0.00 H new ATOM 0 HB THR A 31 1.776 7.871 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.997 6.786 -3.591 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.212 7.006 -4.470 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.397 6.868 -6.235 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.004 5.430 -5.267 1.00 0.00 H new ATOM 513 N ASP A 32 4.563 5.657 -6.785 1.00 0.00 N ATOM 514 CA ASP A 32 5.963 5.968 -7.082 1.00 0.00 C ATOM 515 C ASP A 32 6.238 5.835 -8.576 1.00 0.00 C ATOM 516 O ASP A 32 5.331 5.582 -9.376 1.00 0.00 O ATOM 517 CB ASP A 32 6.940 5.089 -6.283 1.00 0.00 C ATOM 518 CG ASP A 32 7.249 5.657 -4.910 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.479 5.401 -3.963 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.261 6.377 -4.773 1.00 0.00 O ATOM 0 H ASP A 32 4.406 4.743 -6.359 1.00 0.00 H new ATOM 0 HA ASP A 32 6.129 7.001 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.517 4.091 -6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.868 4.981 -6.845 1.00 0.00 H new ATOM 525 N GLN A 33 7.491 6.000 -8.956 1.00 0.00 N ATOM 526 CA GLN A 33 7.844 6.055 -10.361 1.00 0.00 C ATOM 527 C GLN A 33 9.182 5.380 -10.628 1.00 0.00 C ATOM 528 O GLN A 33 9.900 5.013 -9.696 1.00 0.00 O ATOM 529 CB GLN A 33 7.869 7.511 -10.846 1.00 0.00 C ATOM 530 CG GLN A 33 8.671 8.464 -9.961 1.00 0.00 C ATOM 531 CD GLN A 33 7.912 8.964 -8.735 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.605 9.152 -8.856 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.506 9.205 -7.686 1.00 0.00 N flip ATOM 0 H GLN A 33 8.278 6.098 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 33 7.083 5.509 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.283 7.537 -11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.844 7.875 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.579 7.959 -9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.982 9.322 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.512 9.050 -7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.993 9.559 -6.879 1.00 0.00 H new ATOM 542 N VAL A 34 9.510 5.222 -11.907 1.00 0.00 N ATOM 543 CA VAL A 34 10.760 4.582 -12.313 1.00 0.00 C ATOM 544 C VAL A 34 11.955 5.401 -11.836 1.00 0.00 C ATOM 545 O VAL A 34 13.035 4.862 -11.591 1.00 0.00 O ATOM 546 CB VAL A 34 10.838 4.407 -13.847 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.088 3.634 -14.236 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.585 3.723 -14.377 1.00 0.00 C ATOM 0 H VAL A 34 8.925 5.530 -12.684 1.00 0.00 H new ATOM 0 HA VAL A 34 10.784 3.594 -11.852 1.00 0.00 H new ATOM 0 HB VAL A 34 10.898 5.396 -14.302 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.124 3.522 -15.320 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.971 4.176 -13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.067 2.649 -13.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.662 3.610 -15.458 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.484 2.740 -13.916 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.711 4.328 -14.136 1.00 0.00 H new ATOM 558 N SER A 35 11.742 6.705 -11.698 1.00 0.00 N ATOM 559 CA SER A 35 12.749 7.609 -11.155 1.00 0.00 C ATOM 560 C SER A 35 13.253 7.119 -9.792 1.00 0.00 C ATOM 561 O SER A 35 14.416 7.318 -9.434 1.00 0.00 O ATOM 562 CB SER A 35 12.144 9.003 -11.012 1.00 0.00 C ATOM 563 OG SER A 35 11.163 9.224 -12.013 1.00 0.00 O ATOM 0 H SER A 35 10.869 7.164 -11.959 1.00 0.00 H new ATOM 0 HA SER A 35 13.598 7.638 -11.838 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.695 9.112 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.928 9.756 -11.090 1.00 0.00 H new ATOM 0 HG SER A 35 11.589 9.215 -12.896 1.00 0.00 H new ATOM 569 N VAL A 36 12.376 6.457 -9.043 1.00 0.00 N ATOM 570 CA VAL A 36 12.726 5.933 -7.736 1.00 0.00 C ATOM 571 C VAL A 36 13.520 4.639 -7.871 1.00 0.00 C ATOM 572 O VAL A 36 14.322 4.296 -7.006 1.00 0.00 O ATOM 573 CB VAL A 36 11.468 5.671 -6.890 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.826 5.546 -5.432 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.439 6.770 -7.093 1.00 0.00 C ATOM 0 H VAL A 36 11.413 6.272 -9.325 1.00 0.00 H new ATOM 0 HA VAL A 36 13.339 6.683 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 36 11.029 4.729 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.923 5.361 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.521 4.717 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.294 6.470 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.559 6.562 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.867 7.728 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.152 6.810 -8.144 1.00 0.00 H new ATOM 585 N ILE A 37 13.283 3.915 -8.955 1.00 0.00 N ATOM 586 CA ILE A 37 13.988 2.665 -9.204 1.00 0.00 C ATOM 587 C ILE A 37 15.432 2.943 -9.619 1.00 0.00 C ATOM 588 O ILE A 37 16.362 2.332 -9.106 1.00 0.00 O ATOM 589 CB ILE A 37 13.291 1.813 -10.290 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.788 1.689 -10.003 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.934 0.436 -10.365 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.462 1.074 -8.659 1.00 0.00 C ATOM 0 H ILE A 37 12.609 4.171 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 37 13.976 2.098 -8.273 1.00 0.00 H new ATOM 0 HB ILE A 37 13.412 2.311 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.336 2.680 -10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.328 1.087 -10.787 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.436 -0.157 -11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.990 0.541 -10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.837 -0.064 -9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.380 1.023 -8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.881 0.069 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.889 1.687 -7.865 1.00 0.00 H new ATOM 604 N LYS A 38 15.614 3.880 -10.537 1.00 0.00 N ATOM 605 CA LYS A 38 16.952 4.237 -10.997 1.00 0.00 C ATOM 606 C LYS A 38 17.819 4.753 -9.848 1.00 0.00 C ATOM 607 O LYS A 38 18.992 4.393 -9.745 1.00 0.00 O ATOM 608 CB LYS A 38 16.887 5.287 -12.102 1.00 0.00 C ATOM 609 CG LYS A 38 15.875 6.383 -11.841 1.00 0.00 C ATOM 610 CD LYS A 38 16.281 7.704 -12.466 1.00 0.00 C ATOM 611 CE LYS A 38 17.414 8.365 -11.698 1.00 0.00 C ATOM 612 NZ LYS A 38 17.645 9.760 -12.161 1.00 0.00 N ATOM 0 H LYS A 38 14.859 4.405 -10.977 1.00 0.00 H new ATOM 0 HA LYS A 38 17.408 3.330 -11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.873 5.736 -12.223 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.643 4.796 -13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.905 6.080 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.755 6.514 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.589 7.539 -13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.421 8.373 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.180 8.368 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.327 7.783 -11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.424 10.182 -11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.892 9.754 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.781 10.320 -12.019 1.00 0.00 H new ATOM 626 N VAL A 39 17.239 5.584 -8.979 1.00 0.00 N ATOM 627 CA VAL A 39 18.003 6.175 -7.886 1.00 0.00 C ATOM 628 C VAL A 39 18.375 5.118 -6.847 1.00 0.00 C ATOM 629 O VAL A 39 19.502 5.101 -6.352 1.00 0.00 O ATOM 630 CB VAL A 39 17.256 7.357 -7.212 1.00 0.00 C ATOM 631 CG1 VAL A 39 15.951 6.914 -6.572 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.144 8.039 -6.183 1.00 0.00 C ATOM 0 H VAL A 39 16.257 5.858 -9.012 1.00 0.00 H new ATOM 0 HA VAL A 39 18.917 6.577 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 39 17.012 8.072 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.461 7.772 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.298 6.489 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.156 6.162 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.600 8.864 -5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.430 7.320 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.040 8.422 -6.672 1.00 0.00 H new ATOM 642 N LYS A 40 17.447 4.213 -6.542 1.00 0.00 N ATOM 643 CA LYS A 40 17.720 3.178 -5.551 1.00 0.00 C ATOM 644 C LYS A 40 18.827 2.242 -6.032 1.00 0.00 C ATOM 645 O LYS A 40 19.679 1.832 -5.249 1.00 0.00 O ATOM 646 CB LYS A 40 16.459 2.377 -5.175 1.00 0.00 C ATOM 647 CG LYS A 40 15.754 1.697 -6.333 1.00 0.00 C ATOM 648 CD LYS A 40 14.680 0.727 -5.856 1.00 0.00 C ATOM 649 CE LYS A 40 13.884 1.271 -4.674 1.00 0.00 C ATOM 650 NZ LYS A 40 13.265 2.594 -4.951 1.00 0.00 N ATOM 0 H LYS A 40 16.517 4.175 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 40 18.058 3.687 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.736 1.618 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.754 3.049 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.301 2.452 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.485 1.160 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.999 0.510 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.147 -0.216 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.103 0.558 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.542 1.357 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.005 3.051 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.943 3.195 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.413 2.464 -5.532 1.00 0.00 H new ATOM 664 N ILE A 41 18.828 1.925 -7.321 1.00 0.00 N ATOM 665 CA ILE A 41 19.872 1.080 -7.894 1.00 0.00 C ATOM 666 C ILE A 41 21.205 1.821 -7.931 1.00 0.00 C ATOM 667 O ILE A 41 22.245 1.268 -7.569 1.00 0.00 O ATOM 668 CB ILE A 41 19.509 0.625 -9.318 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.178 -0.120 -9.312 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.606 -0.263 -9.891 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.639 -0.378 -10.695 1.00 0.00 C ATOM 0 H ILE A 41 18.122 2.238 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 41 19.960 0.201 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 41 19.414 1.509 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.303 -1.071 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.448 0.458 -8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.332 -0.575 -10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.543 0.293 -9.925 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.729 -1.143 -9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.691 -0.911 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.483 0.571 -11.208 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.352 -0.981 -11.257 1.00 0.00 H new ATOM 683 N HIS A 42 21.157 3.081 -8.344 1.00 0.00 N ATOM 684 CA HIS A 42 22.353 3.919 -8.427 1.00 0.00 C ATOM 685 C HIS A 42 23.055 4.018 -7.073 1.00 0.00 C ATOM 686 O HIS A 42 24.278 4.087 -7.004 1.00 0.00 O ATOM 687 CB HIS A 42 21.979 5.319 -8.948 1.00 0.00 C ATOM 688 CG HIS A 42 23.061 6.354 -8.796 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.891 7.527 -8.093 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.328 6.392 -9.277 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.000 8.240 -8.153 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.887 7.572 -8.863 1.00 0.00 N ATOM 0 H HIS A 42 20.298 3.550 -8.629 1.00 0.00 H new ATOM 0 HA HIS A 42 23.049 3.455 -9.126 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.715 5.241 -10.003 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.089 5.663 -8.421 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.808 5.632 -9.876 1.00 0.00 H new ATOM 0 HE1 HIS A 42 24.154 9.207 -7.697 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.836 7.883 -9.071 1.00 0.00 H new ATOM 701 N GLU A 43 22.283 4.007 -6.004 1.00 0.00 N ATOM 702 CA GLU A 43 22.848 4.131 -4.672 1.00 0.00 C ATOM 703 C GLU A 43 23.176 2.764 -4.087 1.00 0.00 C ATOM 704 O GLU A 43 24.058 2.640 -3.241 1.00 0.00 O ATOM 705 CB GLU A 43 21.898 4.890 -3.750 1.00 0.00 C ATOM 706 CG GLU A 43 21.583 6.290 -4.244 1.00 0.00 C ATOM 707 CD GLU A 43 20.835 7.113 -3.223 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.627 6.875 -3.024 1.00 0.00 O ATOM 709 OE2 GLU A 43 21.455 8.010 -2.611 1.00 0.00 O ATOM 0 H GLU A 43 21.268 3.914 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 43 23.776 4.697 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.969 4.328 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.339 4.953 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.512 6.797 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.990 6.224 -5.156 1.00 0.00 H new ATOM 716 N ALA A 44 22.479 1.739 -4.553 1.00 0.00 N ATOM 717 CA ALA A 44 22.694 0.385 -4.059 1.00 0.00 C ATOM 718 C ALA A 44 23.897 -0.269 -4.733 1.00 0.00 C ATOM 719 O ALA A 44 24.657 -0.989 -4.095 1.00 0.00 O ATOM 720 CB ALA A 44 21.451 -0.465 -4.265 1.00 0.00 C ATOM 0 H ALA A 44 21.760 1.817 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 44 22.900 0.453 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.633 -1.472 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.614 -0.022 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.214 -0.511 -5.328 1.00 0.00 H new ATOM 726 N THR A 45 24.054 -0.035 -6.029 1.00 0.00 N ATOM 727 CA THR A 45 25.155 -0.628 -6.777 1.00 0.00 C ATOM 728 C THR A 45 26.239 0.410 -7.048 1.00 0.00 C ATOM 729 O THR A 45 27.423 0.167 -6.822 1.00 0.00 O ATOM 730 CB THR A 45 24.665 -1.227 -8.116 1.00 0.00 C ATOM 731 OG1 THR A 45 24.487 -0.201 -9.098 1.00 0.00 O ATOM 732 CG2 THR A 45 23.338 -1.938 -7.928 1.00 0.00 C ATOM 0 H THR A 45 23.436 0.559 -6.582 1.00 0.00 H new ATOM 0 HA THR A 45 25.570 -1.432 -6.169 1.00 0.00 H new ATOM 0 HB THR A 45 25.423 -1.933 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.782 0.413 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.009 -2.353 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.456 -2.743 -7.203 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.594 -1.229 -7.565 1.00 0.00 H new ATOM 740 N GLY A 46 25.817 1.572 -7.524 1.00 0.00 N ATOM 741 CA GLY A 46 26.744 2.630 -7.855 1.00 0.00 C ATOM 742 C GLY A 46 26.574 3.107 -9.284 1.00 0.00 C ATOM 743 O GLY A 46 27.150 4.120 -9.680 1.00 0.00 O ATOM 0 H GLY A 46 24.837 1.801 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.597 3.468 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.765 2.276 -7.710 1.00 0.00 H new ATOM 747 N MET A 47 25.775 2.383 -10.062 1.00 0.00 N ATOM 748 CA MET A 47 25.577 2.715 -11.470 1.00 0.00 C ATOM 749 C MET A 47 24.452 3.733 -11.653 1.00 0.00 C ATOM 750 O MET A 47 23.309 3.498 -11.264 1.00 0.00 O ATOM 751 CB MET A 47 25.283 1.449 -12.283 1.00 0.00 C ATOM 752 CG MET A 47 23.957 0.788 -11.938 1.00 0.00 C ATOM 753 SD MET A 47 23.877 -0.952 -12.400 1.00 0.00 S ATOM 754 CE MET A 47 23.918 -0.853 -14.188 1.00 0.00 C ATOM 0 H MET A 47 25.255 1.565 -9.743 1.00 0.00 H new ATOM 0 HA MET A 47 26.500 3.166 -11.836 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.287 1.701 -13.343 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.088 0.731 -12.123 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.783 0.879 -10.866 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.151 1.326 -12.438 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.642 -1.570 -14.576 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.930 -1.082 -14.588 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.207 0.154 -14.490 1.00 0.00 H new ATOM 764 N PRO A 48 24.770 4.899 -12.224 1.00 0.00 N ATOM 765 CA PRO A 48 23.770 5.918 -12.532 1.00 0.00 C ATOM 766 C PRO A 48 22.831 5.483 -13.656 1.00 0.00 C ATOM 767 O PRO A 48 23.168 4.608 -14.460 1.00 0.00 O ATOM 768 CB PRO A 48 24.595 7.135 -12.956 1.00 0.00 C ATOM 769 CG PRO A 48 25.930 6.601 -13.346 1.00 0.00 C ATOM 770 CD PRO A 48 26.131 5.321 -12.581 1.00 0.00 C ATOM 0 HA PRO A 48 23.122 6.117 -11.679 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.123 7.657 -13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.683 7.852 -12.140 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.974 6.420 -14.420 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.716 7.318 -13.111 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.635 4.569 -13.188 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.745 5.479 -11.694 1.00 0.00 H new ATOM 778 N ALA A 49 21.661 6.111 -13.711 1.00 0.00 N ATOM 779 CA ALA A 49 20.634 5.769 -14.692 1.00 0.00 C ATOM 780 C ALA A 49 21.079 6.091 -16.119 1.00 0.00 C ATOM 781 O ALA A 49 20.417 5.715 -17.086 1.00 0.00 O ATOM 782 CB ALA A 49 19.351 6.514 -14.369 1.00 0.00 C ATOM 0 H ALA A 49 21.398 6.868 -13.080 1.00 0.00 H new ATOM 0 HA ALA A 49 20.463 4.694 -14.636 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.587 6.257 -15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.008 6.233 -13.373 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.536 7.588 -14.399 1.00 0.00 H new ATOM 788 N GLY A 50 22.203 6.791 -16.243 1.00 0.00 N ATOM 789 CA GLY A 50 22.739 7.130 -17.548 1.00 0.00 C ATOM 790 C GLY A 50 23.073 5.909 -18.376 1.00 0.00 C ATOM 791 O GLY A 50 23.048 5.953 -19.607 1.00 0.00 O ATOM 0 H GLY A 50 22.755 7.131 -15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.015 7.742 -18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.637 7.735 -17.422 1.00 0.00 H new ATOM 795 N LYS A 51 23.382 4.809 -17.702 1.00 0.00 N ATOM 796 CA LYS A 51 23.754 3.579 -18.387 1.00 0.00 C ATOM 797 C LYS A 51 22.980 2.399 -17.819 1.00 0.00 C ATOM 798 O LYS A 51 23.116 1.274 -18.281 1.00 0.00 O ATOM 799 CB LYS A 51 25.259 3.293 -18.280 1.00 0.00 C ATOM 800 CG LYS A 51 26.116 4.427 -17.718 1.00 0.00 C ATOM 801 CD LYS A 51 25.938 4.595 -16.213 1.00 0.00 C ATOM 802 CE LYS A 51 26.022 3.271 -15.485 1.00 0.00 C ATOM 803 NZ LYS A 51 27.330 2.599 -15.714 1.00 0.00 N ATOM 0 H LYS A 51 23.382 4.744 -16.684 1.00 0.00 H new ATOM 0 HA LYS A 51 23.505 3.714 -19.440 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.398 2.413 -17.652 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.632 3.039 -19.272 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.165 4.230 -17.938 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.855 5.359 -18.219 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.704 5.270 -15.830 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.973 5.060 -16.011 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.878 3.433 -14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.215 2.620 -15.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.434 1.806 -15.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.370 2.240 -16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.101 3.280 -15.564 1.00 0.00 H new ATOM 817 N GLN A 52 22.180 2.664 -16.814 1.00 0.00 N ATOM 818 CA GLN A 52 21.416 1.635 -16.146 1.00 0.00 C ATOM 819 C GLN A 52 19.993 1.608 -16.701 1.00 0.00 C ATOM 820 O GLN A 52 19.250 2.579 -16.595 1.00 0.00 O ATOM 821 CB GLN A 52 21.487 1.908 -14.641 1.00 0.00 C ATOM 822 CG GLN A 52 20.285 1.487 -13.814 1.00 0.00 C ATOM 823 CD GLN A 52 19.487 2.672 -13.315 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.433 3.006 -13.852 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.045 3.373 -12.347 1.00 0.00 N ATOM 0 H GLN A 52 22.039 3.600 -16.435 1.00 0.00 H new ATOM 0 HA GLN A 52 21.823 0.640 -16.325 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.367 1.402 -14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.642 2.977 -14.496 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.641 0.845 -14.415 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.622 0.895 -12.963 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.921 3.059 -11.929 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.601 4.229 -12.016 1.00 0.00 H new ATOM 834 N LYS A 53 19.653 0.507 -17.358 1.00 0.00 N ATOM 835 CA LYS A 53 18.358 0.365 -18.008 1.00 0.00 C ATOM 836 C LYS A 53 17.467 -0.580 -17.228 1.00 0.00 C ATOM 837 O LYS A 53 17.933 -1.585 -16.685 1.00 0.00 O ATOM 838 CB LYS A 53 18.539 -0.158 -19.434 1.00 0.00 C ATOM 839 CG LYS A 53 19.331 0.771 -20.342 1.00 0.00 C ATOM 840 CD LYS A 53 18.454 1.829 -21.009 1.00 0.00 C ATOM 841 CE LYS A 53 17.906 2.852 -20.023 1.00 0.00 C ATOM 842 NZ LYS A 53 17.157 3.930 -20.721 1.00 0.00 N ATOM 0 H LYS A 53 20.261 -0.306 -17.455 1.00 0.00 H new ATOM 0 HA LYS A 53 17.884 1.346 -18.041 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.042 -1.124 -19.394 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.557 -0.328 -19.874 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.110 1.264 -19.761 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.831 0.182 -21.111 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.034 2.344 -21.775 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.623 1.338 -21.515 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.250 2.355 -19.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.727 3.287 -19.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.797 4.611 -20.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.790 4.419 -21.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.359 3.516 -21.244 1.00 0.00 H new ATOM 856 N LEU A 54 16.186 -0.258 -17.185 1.00 0.00 N ATOM 857 CA LEU A 54 15.225 -1.043 -16.434 1.00 0.00 C ATOM 858 C LEU A 54 14.146 -1.573 -17.369 1.00 0.00 C ATOM 859 O LEU A 54 13.467 -0.806 -18.051 1.00 0.00 O ATOM 860 CB LEU A 54 14.607 -0.182 -15.333 1.00 0.00 C ATOM 861 CG LEU A 54 15.605 0.689 -14.564 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.894 1.544 -13.532 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.669 -0.174 -13.902 1.00 0.00 C ATOM 0 H LEU A 54 15.786 0.548 -17.666 1.00 0.00 H new ATOM 0 HA LEU A 54 15.730 -1.892 -15.973 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.850 0.464 -15.778 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.094 -0.834 -14.626 1.00 0.00 H new ATOM 0 HG LEU A 54 16.094 1.354 -15.276 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.624 2.153 -12.999 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.174 2.193 -14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.372 0.901 -12.824 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.369 0.463 -13.361 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.195 -0.866 -13.206 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.207 -0.738 -14.665 1.00 0.00 H new ATOM 875 N GLN A 55 14.005 -2.882 -17.415 1.00 0.00 N ATOM 876 CA GLN A 55 13.060 -3.515 -18.318 1.00 0.00 C ATOM 877 C GLN A 55 11.908 -4.164 -17.560 1.00 0.00 C ATOM 878 O GLN A 55 12.104 -5.098 -16.794 1.00 0.00 O ATOM 879 CB GLN A 55 13.779 -4.564 -19.153 1.00 0.00 C ATOM 880 CG GLN A 55 12.838 -5.485 -19.910 1.00 0.00 C ATOM 881 CD GLN A 55 13.557 -6.612 -20.619 1.00 0.00 C ATOM 882 OE1 GLN A 55 13.765 -7.682 -20.052 1.00 0.00 O ATOM 883 NE2 GLN A 55 13.920 -6.385 -21.869 1.00 0.00 N ATOM 0 H GLN A 55 14.535 -3.533 -16.835 1.00 0.00 H new ATOM 0 HA GLN A 55 12.643 -2.744 -18.965 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.435 -4.063 -19.865 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.414 -5.163 -18.501 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.112 -5.906 -19.214 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.278 -4.902 -20.641 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.727 -5.481 -22.300 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.393 -7.114 -22.403 1.00 0.00 H new ATOM 892 N TYR A 56 10.707 -3.682 -17.802 1.00 0.00 N ATOM 893 CA TYR A 56 9.517 -4.241 -17.179 1.00 0.00 C ATOM 894 C TYR A 56 8.742 -5.060 -18.179 1.00 0.00 C ATOM 895 O TYR A 56 8.172 -4.525 -19.121 1.00 0.00 O ATOM 896 CB TYR A 56 8.653 -3.132 -16.588 1.00 0.00 C ATOM 897 CG TYR A 56 7.276 -3.580 -16.126 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.120 -4.675 -15.282 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.131 -2.908 -16.541 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.868 -5.083 -14.864 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.879 -3.312 -16.126 1.00 0.00 C ATOM 902 CZ TYR A 56 4.751 -4.401 -15.293 1.00 0.00 C ATOM 903 OH TYR A 56 3.500 -4.804 -14.884 1.00 0.00 O ATOM 0 H TYR A 56 10.525 -2.899 -18.430 1.00 0.00 H new ATOM 0 HA TYR A 56 9.821 -4.898 -16.364 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.180 -2.691 -15.742 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.534 -2.346 -17.334 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.993 -5.216 -14.948 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.224 -2.056 -17.199 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.766 -5.932 -14.204 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.001 -2.775 -16.454 1.00 0.00 H new ATOM 0 HH TYR A 56 2.822 -4.215 -15.276 1.00 0.00 H new ATOM 913 N GLU A 57 8.765 -6.368 -17.971 1.00 0.00 N ATOM 914 CA GLU A 57 8.065 -7.315 -18.827 1.00 0.00 C ATOM 915 C GLU A 57 8.500 -7.191 -20.283 1.00 0.00 C ATOM 916 O GLU A 57 7.732 -7.464 -21.205 1.00 0.00 O ATOM 917 CB GLU A 57 6.566 -7.100 -18.693 1.00 0.00 C ATOM 918 CG GLU A 57 6.053 -7.469 -17.319 1.00 0.00 C ATOM 919 CD GLU A 57 6.224 -8.943 -17.012 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.353 -9.747 -17.411 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.230 -9.311 -16.376 1.00 0.00 O ATOM 0 H GLU A 57 9.272 -6.804 -17.201 1.00 0.00 H new ATOM 0 HA GLU A 57 8.319 -8.325 -18.505 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.332 -6.055 -18.897 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.047 -7.696 -19.444 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.581 -6.881 -16.568 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.998 -7.206 -17.246 1.00 0.00 H new ATOM 928 N GLY A 58 9.748 -6.802 -20.476 1.00 0.00 N ATOM 929 CA GLY A 58 10.294 -6.701 -21.813 1.00 0.00 C ATOM 930 C GLY A 58 10.262 -5.283 -22.341 1.00 0.00 C ATOM 931 O GLY A 58 10.591 -5.036 -23.500 1.00 0.00 O ATOM 0 H GLY A 58 10.396 -6.553 -19.729 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.322 -7.063 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.729 -7.349 -22.484 1.00 0.00 H new ATOM 935 N ILE A 59 9.899 -4.345 -21.477 1.00 0.00 N ATOM 936 CA ILE A 59 9.761 -2.960 -21.871 1.00 0.00 C ATOM 937 C ILE A 59 10.861 -2.137 -21.223 1.00 0.00 C ATOM 938 O ILE A 59 10.941 -2.067 -19.998 1.00 0.00 O ATOM 939 CB ILE A 59 8.387 -2.397 -21.448 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.275 -3.389 -21.813 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.144 -1.047 -22.111 1.00 0.00 C ATOM 942 CD1 ILE A 59 5.919 -3.032 -21.240 1.00 0.00 C ATOM 0 H ILE A 59 9.695 -4.525 -20.494 1.00 0.00 H new ATOM 0 HA ILE A 59 9.839 -2.903 -22.957 1.00 0.00 H new ATOM 0 HB ILE A 59 8.381 -2.254 -20.367 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.196 -3.447 -22.899 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.557 -4.381 -21.461 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.172 -0.661 -21.805 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.924 -0.348 -21.809 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.162 -1.165 -23.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.187 -3.781 -21.543 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.980 -3.003 -20.152 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.613 -2.054 -21.612 1.00 0.00 H new ATOM 954 N PHE A 60 11.730 -1.555 -22.035 1.00 0.00 N ATOM 955 CA PHE A 60 12.782 -0.693 -21.514 1.00 0.00 C ATOM 956 C PHE A 60 12.181 0.621 -21.048 1.00 0.00 C ATOM 957 O PHE A 60 12.032 1.566 -21.828 1.00 0.00 O ATOM 958 CB PHE A 60 13.869 -0.444 -22.560 1.00 0.00 C ATOM 959 CG PHE A 60 14.708 -1.653 -22.870 1.00 0.00 C ATOM 960 CD1 PHE A 60 14.943 -2.618 -21.903 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.271 -1.815 -24.126 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.726 -3.721 -22.185 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.053 -2.917 -24.412 1.00 0.00 C ATOM 964 CZ PHE A 60 16.281 -3.871 -23.440 1.00 0.00 C ATOM 0 H PHE A 60 11.729 -1.662 -23.049 1.00 0.00 H new ATOM 0 HA PHE A 60 13.251 -1.196 -20.668 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.400 -0.094 -23.480 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.520 0.357 -22.209 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.510 -2.507 -20.920 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.096 -1.071 -24.890 1.00 0.00 H new ATOM 0 HE1 PHE A 60 15.904 -4.466 -21.423 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.486 -3.032 -25.395 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.893 -4.733 -23.661 1.00 0.00 H new ATOM 974 N ILE A 61 11.804 0.657 -19.782 1.00 0.00 N ATOM 975 CA ILE A 61 11.122 1.816 -19.229 1.00 0.00 C ATOM 976 C ILE A 61 12.106 2.948 -18.959 1.00 0.00 C ATOM 977 O ILE A 61 13.312 2.725 -18.830 1.00 0.00 O ATOM 978 CB ILE A 61 10.349 1.464 -17.937 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.290 1.414 -16.715 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.606 0.142 -18.114 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.996 0.290 -15.741 1.00 0.00 C ATOM 0 H ILE A 61 11.958 -0.101 -19.118 1.00 0.00 H new ATOM 0 HA ILE A 61 10.398 2.148 -19.973 1.00 0.00 H new ATOM 0 HB ILE A 61 9.618 2.251 -17.750 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.317 1.314 -17.067 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.226 2.364 -16.184 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.065 -0.097 -17.198 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.900 0.229 -18.940 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.322 -0.651 -18.330 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.705 0.331 -14.914 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.982 0.398 -15.356 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.090 -0.668 -16.252 1.00 0.00 H new ATOM 993 N LYS A 62 11.585 4.160 -18.887 1.00 0.00 N ATOM 994 CA LYS A 62 12.419 5.331 -18.687 1.00 0.00 C ATOM 995 C LYS A 62 12.056 6.046 -17.386 1.00 0.00 C ATOM 996 O LYS A 62 10.952 5.884 -16.860 1.00 0.00 O ATOM 997 CB LYS A 62 12.284 6.266 -19.888 1.00 0.00 C ATOM 998 CG LYS A 62 10.871 6.765 -20.127 1.00 0.00 C ATOM 999 CD LYS A 62 10.621 7.017 -21.602 1.00 0.00 C ATOM 1000 CE LYS A 62 9.328 7.791 -21.833 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.450 9.219 -21.442 1.00 0.00 N ATOM 0 H LYS A 62 10.588 4.359 -18.964 1.00 0.00 H new ATOM 0 HA LYS A 62 13.459 5.016 -18.603 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.941 7.123 -19.743 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.630 5.746 -20.781 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.156 6.032 -19.754 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.707 7.685 -19.565 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.458 7.574 -22.023 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.574 6.065 -22.131 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.051 7.727 -22.885 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.523 7.328 -21.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.582 9.521 -20.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.263 9.336 -20.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.591 9.801 -22.292 1.00 0.00 H new ATOM 1015 N ASP A 63 12.994 6.845 -16.890 1.00 0.00 N ATOM 1016 CA ASP A 63 12.862 7.526 -15.598 1.00 0.00 C ATOM 1017 C ASP A 63 11.858 8.674 -15.654 1.00 0.00 C ATOM 1018 O ASP A 63 11.598 9.326 -14.645 1.00 0.00 O ATOM 1019 CB ASP A 63 14.228 8.050 -15.144 1.00 0.00 C ATOM 1020 CG ASP A 63 14.788 9.147 -16.039 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.915 8.922 -17.264 1.00 0.00 O ATOM 1022 OD2 ASP A 63 15.139 10.225 -15.512 1.00 0.00 O ATOM 0 H ASP A 63 13.872 7.042 -17.371 1.00 0.00 H new ATOM 0 HA ASP A 63 12.487 6.797 -14.879 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.142 8.431 -14.127 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.935 7.221 -15.115 1.00 0.00 H new ATOM 1027 N SER A 64 11.308 8.923 -16.831 1.00 0.00 N ATOM 1028 CA SER A 64 10.297 9.957 -17.002 1.00 0.00 C ATOM 1029 C SER A 64 8.886 9.388 -16.824 1.00 0.00 C ATOM 1030 O SER A 64 7.897 10.119 -16.901 1.00 0.00 O ATOM 1031 CB SER A 64 10.453 10.597 -18.380 1.00 0.00 C ATOM 1032 OG SER A 64 11.022 9.676 -19.297 1.00 0.00 O ATOM 0 H SER A 64 11.545 8.421 -17.687 1.00 0.00 H new ATOM 0 HA SER A 64 10.440 10.718 -16.234 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.481 10.928 -18.745 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.085 11.482 -18.306 1.00 0.00 H new ATOM 0 HG SER A 64 11.994 9.653 -19.177 1.00 0.00 H new ATOM 1038 N ASN A 65 8.803 8.087 -16.569 1.00 0.00 N ATOM 1039 CA ASN A 65 7.522 7.429 -16.372 1.00 0.00 C ATOM 1040 C ASN A 65 7.384 6.966 -14.931 1.00 0.00 C ATOM 1041 O ASN A 65 8.259 7.213 -14.099 1.00 0.00 O ATOM 1042 CB ASN A 65 7.371 6.234 -17.313 1.00 0.00 C ATOM 1043 CG ASN A 65 7.271 6.631 -18.772 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.718 5.746 -19.644 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.794 7.710 -19.114 1.00 0.00 N flip ATOM 0 H ASN A 65 9.611 7.468 -16.494 1.00 0.00 H new ATOM 0 HA ASN A 65 6.735 8.150 -16.596 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.223 5.567 -17.182 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.480 5.671 -17.035 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.460 8.366 -18.408 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.732 7.950 -20.104 1.00 0.00 H new ATOM 1052 N SER A 66 6.302 6.267 -14.642 1.00 0.00 N ATOM 1053 CA SER A 66 6.007 5.868 -13.287 1.00 0.00 C ATOM 1054 C SER A 66 5.507 4.434 -13.244 1.00 0.00 C ATOM 1055 O SER A 66 5.338 3.794 -14.284 1.00 0.00 O ATOM 1056 CB SER A 66 4.977 6.826 -12.694 1.00 0.00 C ATOM 1057 OG SER A 66 3.833 6.922 -13.525 1.00 0.00 O ATOM 0 H SER A 66 5.614 5.965 -15.332 1.00 0.00 H new ATOM 0 HA SER A 66 6.919 5.913 -12.691 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.683 6.481 -11.703 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.423 7.813 -12.568 1.00 0.00 H new ATOM 0 HG SER A 66 3.187 7.540 -13.123 1.00 0.00 H new ATOM 1063 N LEU A 67 5.272 3.938 -12.043 1.00 0.00 N ATOM 1064 CA LEU A 67 4.820 2.572 -11.858 1.00 0.00 C ATOM 1065 C LEU A 67 3.374 2.443 -12.311 1.00 0.00 C ATOM 1066 O LEU A 67 3.019 1.508 -13.030 1.00 0.00 O ATOM 1067 CB LEU A 67 4.951 2.181 -10.389 1.00 0.00 C ATOM 1068 CG LEU A 67 6.265 2.606 -9.726 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.235 2.317 -8.239 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.455 1.919 -10.377 1.00 0.00 C ATOM 0 H LEU A 67 5.388 4.464 -11.177 1.00 0.00 H new ATOM 0 HA LEU A 67 5.437 1.902 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.122 2.621 -9.835 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.851 1.099 -10.305 1.00 0.00 H new ATOM 0 HG LEU A 67 6.376 3.681 -9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.178 2.627 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.415 2.867 -7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.090 1.249 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.374 2.240 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.350 0.839 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.496 2.186 -11.433 1.00 0.00 H new ATOM 1082 N ALA A 68 2.548 3.401 -11.894 1.00 0.00 N ATOM 1083 CA ALA A 68 1.157 3.474 -12.325 1.00 0.00 C ATOM 1084 C ALA A 68 1.057 3.582 -13.840 1.00 0.00 C ATOM 1085 O ALA A 68 0.118 3.067 -14.447 1.00 0.00 O ATOM 1086 CB ALA A 68 0.459 4.658 -11.670 1.00 0.00 C ATOM 0 H ALA A 68 2.824 4.144 -11.251 1.00 0.00 H new ATOM 0 HA ALA A 68 0.662 2.554 -12.014 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.578 4.698 -12.002 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.489 4.544 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.966 5.581 -11.952 1.00 0.00 H new ATOM 1092 N TYR A 69 2.036 4.245 -14.446 1.00 0.00 N ATOM 1093 CA TYR A 69 2.071 4.402 -15.895 1.00 0.00 C ATOM 1094 C TYR A 69 2.104 3.043 -16.588 1.00 0.00 C ATOM 1095 O TYR A 69 1.325 2.783 -17.500 1.00 0.00 O ATOM 1096 CB TYR A 69 3.289 5.233 -16.305 1.00 0.00 C ATOM 1097 CG TYR A 69 3.430 5.429 -17.799 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.803 6.486 -18.442 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.190 4.553 -18.564 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.934 6.669 -19.805 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.326 4.730 -19.925 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.694 5.786 -20.542 1.00 0.00 C ATOM 1103 OH TYR A 69 3.826 5.968 -21.900 1.00 0.00 O ATOM 0 H TYR A 69 2.816 4.682 -13.956 1.00 0.00 H new ATOM 0 HA TYR A 69 1.165 4.922 -16.205 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.227 6.210 -15.826 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.189 4.749 -15.926 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.203 7.177 -17.868 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.682 3.720 -18.085 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.444 7.500 -20.291 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.926 4.043 -20.504 1.00 0.00 H new ATOM 0 HH TYR A 69 4.394 5.261 -22.271 1.00 0.00 H new ATOM 1113 N TYR A 70 2.994 2.172 -16.134 1.00 0.00 N ATOM 1114 CA TYR A 70 3.154 0.858 -16.748 1.00 0.00 C ATOM 1115 C TYR A 70 2.223 -0.167 -16.112 1.00 0.00 C ATOM 1116 O TYR A 70 2.239 -1.343 -16.481 1.00 0.00 O ATOM 1117 CB TYR A 70 4.605 0.389 -16.631 1.00 0.00 C ATOM 1118 CG TYR A 70 5.557 1.125 -17.542 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.666 0.779 -18.881 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.347 2.158 -17.061 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.539 1.444 -19.718 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.220 2.828 -17.892 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.313 2.468 -19.219 1.00 0.00 C ATOM 1124 OH TYR A 70 8.185 3.134 -20.046 1.00 0.00 O ATOM 0 H TYR A 70 3.616 2.349 -15.345 1.00 0.00 H new ATOM 0 HA TYR A 70 2.891 0.949 -17.802 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.935 0.512 -15.600 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.652 -0.677 -16.856 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.059 -0.023 -19.274 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.278 2.442 -16.021 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.615 1.163 -20.758 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.828 3.632 -17.504 1.00 0.00 H new ATOM 0 HH TYR A 70 8.288 4.058 -19.737 1.00 0.00 H new ATOM 1134 N ASN A 71 1.416 0.292 -15.159 1.00 0.00 N ATOM 1135 CA ASN A 71 0.480 -0.573 -14.444 1.00 0.00 C ATOM 1136 C ASN A 71 1.232 -1.669 -13.702 1.00 0.00 C ATOM 1137 O ASN A 71 0.862 -2.843 -13.764 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.552 -1.204 -15.395 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.626 -0.237 -15.867 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.274 1.026 -16.042 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -2.772 -0.632 -16.082 1.00 0.00 N flip ATOM 0 H ASN A 71 1.392 1.267 -14.862 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.056 0.049 -13.727 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.032 -1.607 -16.264 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.029 -2.045 -14.891 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.009 -1.613 -15.937 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.485 0.022 -16.406 1.00 0.00 H new ATOM 1148 N MET A 72 2.300 -1.280 -13.012 1.00 0.00 N ATOM 1149 CA MET A 72 3.077 -2.220 -12.218 1.00 0.00 C ATOM 1150 C MET A 72 2.295 -2.666 -10.992 1.00 0.00 C ATOM 1151 O MET A 72 2.408 -2.079 -9.918 1.00 0.00 O ATOM 1152 CB MET A 72 4.411 -1.604 -11.796 1.00 0.00 C ATOM 1153 CG MET A 72 5.321 -1.286 -12.966 1.00 0.00 C ATOM 1154 SD MET A 72 6.929 -0.670 -12.449 1.00 0.00 S ATOM 1155 CE MET A 72 7.773 -0.577 -14.020 1.00 0.00 C ATOM 0 H MET A 72 2.645 -0.321 -12.988 1.00 0.00 H new ATOM 0 HA MET A 72 3.280 -3.093 -12.838 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.220 -0.690 -11.234 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.923 -2.291 -11.122 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.457 -2.184 -13.569 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.840 -0.544 -13.603 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.768 -1.011 -13.924 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.207 -1.129 -14.770 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.859 0.466 -14.326 1.00 0.00 H new ATOM 1165 N ALA A 73 1.473 -3.689 -11.177 1.00 0.00 N ATOM 1166 CA ALA A 73 0.694 -4.256 -10.091 1.00 0.00 C ATOM 1167 C ALA A 73 1.579 -5.081 -9.164 1.00 0.00 C ATOM 1168 O ALA A 73 2.806 -5.085 -9.297 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.437 -5.108 -10.657 1.00 0.00 C ATOM 0 H ALA A 73 1.329 -4.145 -12.078 1.00 0.00 H new ATOM 0 HA ALA A 73 0.264 -3.443 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.019 -5.531 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.083 -4.488 -11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.019 -5.914 -11.259 1.00 0.00 H new ATOM 1175 N ASN A 74 0.956 -5.777 -8.226 1.00 0.00 N ATOM 1176 CA ASN A 74 1.690 -6.599 -7.279 1.00 0.00 C ATOM 1177 C ASN A 74 2.443 -7.702 -8.012 1.00 0.00 C ATOM 1178 O ASN A 74 1.837 -8.591 -8.616 1.00 0.00 O ATOM 1179 CB ASN A 74 0.726 -7.209 -6.255 1.00 0.00 C ATOM 1180 CG ASN A 74 1.438 -8.017 -5.183 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.574 -7.713 -4.812 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.775 -9.048 -4.677 1.00 0.00 N ATOM 0 H ASN A 74 -0.056 -5.789 -8.101 1.00 0.00 H new ATOM 0 HA ASN A 74 2.411 -5.972 -6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.154 -6.411 -5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.012 -7.850 -6.772 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.204 -9.624 -3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.164 -9.265 -5.012 1.00 0.00 H new ATOM 1189 N GLY A 75 3.766 -7.640 -7.952 1.00 0.00 N ATOM 1190 CA GLY A 75 4.584 -8.626 -8.623 1.00 0.00 C ATOM 1191 C GLY A 75 5.168 -8.112 -9.925 1.00 0.00 C ATOM 1192 O GLY A 75 5.234 -8.848 -10.907 1.00 0.00 O ATOM 0 H GLY A 75 4.287 -6.922 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.395 -8.931 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.985 -9.514 -8.824 1.00 0.00 H new ATOM 1196 N ALA A 76 5.594 -6.853 -9.944 1.00 0.00 N ATOM 1197 CA ALA A 76 6.217 -6.295 -11.141 1.00 0.00 C ATOM 1198 C ALA A 76 7.680 -6.712 -11.219 1.00 0.00 C ATOM 1199 O ALA A 76 8.489 -6.336 -10.370 1.00 0.00 O ATOM 1200 CB ALA A 76 6.095 -4.780 -11.164 1.00 0.00 C ATOM 0 H ALA A 76 5.522 -6.208 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 76 5.693 -6.689 -12.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.567 -4.391 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.042 -4.500 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.588 -4.362 -10.287 1.00 0.00 H new ATOM 1206 N VAL A 77 8.016 -7.501 -12.226 1.00 0.00 N ATOM 1207 CA VAL A 77 9.377 -7.985 -12.379 1.00 0.00 C ATOM 1208 C VAL A 77 10.154 -7.116 -13.356 1.00 0.00 C ATOM 1209 O VAL A 77 9.971 -7.206 -14.573 1.00 0.00 O ATOM 1210 CB VAL A 77 9.420 -9.451 -12.861 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.854 -9.967 -12.890 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.551 -10.337 -11.982 1.00 0.00 C ATOM 0 H VAL A 77 7.368 -7.819 -12.947 1.00 0.00 H new ATOM 0 HA VAL A 77 9.839 -7.933 -11.393 1.00 0.00 H new ATOM 0 HB VAL A 77 9.022 -9.484 -13.875 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.861 -11.002 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.447 -9.355 -13.570 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.280 -9.913 -11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.598 -11.365 -12.342 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.912 -10.296 -10.954 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.520 -9.986 -12.019 1.00 0.00 H new ATOM 1222 N ILE A 78 11.005 -6.261 -12.820 1.00 0.00 N ATOM 1223 CA ILE A 78 11.855 -5.425 -13.647 1.00 0.00 C ATOM 1224 C ILE A 78 13.196 -6.111 -13.821 1.00 0.00 C ATOM 1225 O ILE A 78 13.630 -6.868 -12.959 1.00 0.00 O ATOM 1226 CB ILE A 78 12.085 -4.019 -13.040 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.797 -3.477 -12.415 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.598 -3.052 -14.098 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.586 -3.587 -13.308 1.00 0.00 C ATOM 0 H ILE A 78 11.126 -6.127 -11.816 1.00 0.00 H new ATOM 0 HA ILE A 78 11.350 -5.289 -14.603 1.00 0.00 H new ATOM 0 HB ILE A 78 12.838 -4.113 -12.257 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.601 -4.015 -11.487 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.947 -2.430 -12.151 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.753 -2.071 -13.650 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.542 -3.420 -14.500 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.867 -2.972 -14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.716 -3.182 -12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.758 -3.025 -14.226 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.408 -4.634 -13.552 1.00 0.00 H new ATOM 1241 N HIS A 79 13.828 -5.875 -14.944 1.00 0.00 N ATOM 1242 CA HIS A 79 15.126 -6.458 -15.225 1.00 0.00 C ATOM 1243 C HIS A 79 16.136 -5.353 -15.381 1.00 0.00 C ATOM 1244 O HIS A 79 15.988 -4.486 -16.242 1.00 0.00 O ATOM 1245 CB HIS A 79 15.095 -7.309 -16.498 1.00 0.00 C ATOM 1246 CG HIS A 79 14.163 -8.475 -16.427 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.565 -9.781 -16.597 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.831 -8.517 -16.219 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.517 -10.577 -16.503 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.452 -9.834 -16.271 1.00 0.00 N ATOM 0 H HIS A 79 13.464 -5.278 -15.687 1.00 0.00 H new ATOM 0 HA HIS A 79 15.400 -7.109 -14.394 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.807 -6.677 -17.338 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.101 -7.673 -16.704 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.183 -7.671 -16.044 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.529 -11.653 -16.599 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.501 -10.182 -16.150 1.00 0.00 H new ATOM 1259 N LEU A 80 17.136 -5.369 -14.535 1.00 0.00 N ATOM 1260 CA LEU A 80 18.197 -4.392 -14.620 1.00 0.00 C ATOM 1261 C LEU A 80 19.233 -4.852 -15.631 1.00 0.00 C ATOM 1262 O LEU A 80 19.672 -6.003 -15.608 1.00 0.00 O ATOM 1263 CB LEU A 80 18.862 -4.162 -13.264 1.00 0.00 C ATOM 1264 CG LEU A 80 20.118 -3.288 -13.315 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.796 -1.910 -13.866 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.748 -3.168 -11.945 1.00 0.00 C ATOM 0 H LEU A 80 17.239 -6.047 -13.780 1.00 0.00 H new ATOM 0 HA LEU A 80 17.760 -3.446 -14.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.139 -3.699 -12.592 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.124 -5.128 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 80 20.832 -3.770 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.704 -1.307 -13.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.395 -2.006 -14.875 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.058 -1.426 -13.227 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.638 -2.542 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.035 -2.717 -11.255 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.025 -4.158 -11.584 1.00 0.00 H new ATOM 1278 N ALA A 81 19.613 -3.960 -16.515 1.00 0.00 N ATOM 1279 CA ALA A 81 20.582 -4.273 -17.537 1.00 0.00 C ATOM 1280 C ALA A 81 21.384 -3.037 -17.884 1.00 0.00 C ATOM 1281 O ALA A 81 20.864 -1.923 -17.855 1.00 0.00 O ATOM 1282 CB ALA A 81 19.882 -4.827 -18.766 1.00 0.00 C ATOM 0 H ALA A 81 19.262 -3.003 -16.546 1.00 0.00 H new ATOM 0 HA ALA A 81 21.267 -5.033 -17.162 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.622 -5.060 -19.532 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.339 -5.733 -18.498 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.182 -4.085 -19.151 1.00 0.00 H new ATOM 1288 N LEU A 82 22.656 -3.226 -18.176 1.00 0.00 N ATOM 1289 CA LEU A 82 23.500 -2.118 -18.575 1.00 0.00 C ATOM 1290 C LEU A 82 23.174 -1.724 -20.011 1.00 0.00 C ATOM 1291 O LEU A 82 22.833 -2.581 -20.827 1.00 0.00 O ATOM 1292 CB LEU A 82 24.978 -2.496 -18.438 1.00 0.00 C ATOM 1293 CG LEU A 82 25.961 -1.330 -18.549 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.682 -0.298 -17.472 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.386 -1.831 -18.435 1.00 0.00 C ATOM 0 H LEU A 82 23.125 -4.131 -18.145 1.00 0.00 H new ATOM 0 HA LEU A 82 23.309 -1.266 -17.922 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.124 -2.983 -17.474 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.222 -3.230 -19.206 1.00 0.00 H new ATOM 0 HG LEU A 82 25.831 -0.860 -19.524 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.390 0.525 -17.565 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.667 0.082 -17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.788 -0.759 -16.490 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.075 -0.990 -18.516 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.523 -2.321 -17.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.587 -2.543 -19.236 1.00 0.00 H new