USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1229 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 LYS NZ :NH3+ 171:sc= -1.77! (180deg=-2.26!) USER MOD Set 1.2: A 33 THR OG1 : rot 86:sc= -2.55! USER MOD Set 1.3: B 45 THR OG1 : rot -51:sc= 0.362 USER MOD Set 1.4: B 84 SER OG : rot 167:sc= -0.573 USER MOD Set 2.1: B 43 GLN : amide:sc= -1.81 K(o=-4.6,f=-9.5!) USER MOD Set 2.2: B 49 ASN : amide:sc= -2.82 K(o=-4.6,f=-10!) USER MOD Set 3.1: A 43 GLN : amide:sc= 0.0592 K(o=0.74,f=-0.039) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.682 K(o=0.74,f=-0.039) USER MOD Set 4.1: A 35 THR OG1 : rot 79:sc= 1.13 USER MOD Set 4.2: B 1 MET CE :methyl -112:sc= -0.662 (180deg=-1.73) USER MOD Set 5.1: A 1 MET CE :methyl -118:sc= -2.38 (180deg=-5.11!) USER MOD Set 5.2: B 35 THR OG1 : rot 99:sc= 1.15 USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.242 (180deg=0.225) USER MOD Single : A 2 ASN : amide:sc= -0.836 K(o=-0.84,f=-6.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= 0.159 (180deg=0.00934) USER MOD Single : A 12 GLN : amide:sc= -0.0221 X(o=-0.022,f=0.29) USER MOD Single : A 14 THR OG1 : rot -100:sc= -9.24! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 20 SER OG : rot 30:sc= -4.96 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -159:sc= -8.05! (180deg=-9.84!) USER MOD Single : A 27 SER OG : rot 66:sc= -1.41 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -100:sc= -3.06 USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0308) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -19:sc= 0.398 USER MOD Single : B 1 MET N :NH3+ 142:sc= -0.0512 (180deg=-0.925) USER MOD Single : B 2 ASN : amide:sc= 0.22 K(o=0.22,f=-12!) USER MOD Single : B 3 LYS NZ :NH3+ -111:sc= -0.843 (180deg=-1.27) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ -178:sc= -0.624 (180deg=-0.634) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 THR OG1 : rot -120:sc= -7.53! USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 SER OG : rot -170:sc= -4.42! USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -151:sc= -7.49! (180deg=-9.63!) USER MOD Single : B 27 SER OG : rot -23:sc= -1.18 USER MOD Single : B 30 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0147) USER MOD Single : B 33 THR OG1 : rot -117:sc= -3.71! USER MOD Single : B 38 LYS NZ :NH3+ -160:sc= 0.0154 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= -0.332 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.183) USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.095 3.845 11.145 1.00 0.00 N ATOM 2 CA MET A 1 4.525 5.095 10.562 1.00 0.00 C ATOM 3 C MET A 1 3.095 4.845 10.082 1.00 0.00 C ATOM 4 O MET A 1 2.736 3.732 9.752 1.00 0.00 O ATOM 5 CB MET A 1 5.427 5.424 9.369 1.00 0.00 C ATOM 6 CG MET A 1 6.227 6.694 9.657 1.00 0.00 C ATOM 7 SD MET A 1 7.609 6.815 8.497 1.00 0.00 S ATOM 8 CE MET A 1 6.865 8.050 7.406 1.00 0.00 C ATOM 0 H1 MET A 1 6.106 3.984 11.344 1.00 0.00 H new ATOM 0 H2 MET A 1 4.597 3.615 12.029 1.00 0.00 H new ATOM 0 H3 MET A 1 4.980 3.063 10.469 1.00 0.00 H new ATOM 0 HA MET A 1 4.488 5.907 11.288 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.105 4.593 9.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.823 5.560 8.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.584 7.570 9.565 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.599 6.677 10.681 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.747 7.629 6.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.889 8.339 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.510 8.927 7.356 1.00 0.00 H new ATOM 20 N ASN A 2 2.274 5.866 10.024 1.00 0.00 N ATOM 21 CA ASN A 2 0.881 5.650 9.544 1.00 0.00 C ATOM 22 C ASN A 2 0.147 6.976 9.316 1.00 0.00 C ATOM 23 O ASN A 2 0.748 7.981 8.999 1.00 0.00 O ATOM 24 CB ASN A 2 0.204 4.816 10.638 1.00 0.00 C ATOM 25 CG ASN A 2 0.121 5.629 11.932 1.00 0.00 C ATOM 26 OD1 ASN A 2 0.967 6.460 12.198 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.872 5.424 12.755 1.00 0.00 N ATOM 0 H ASN A 2 2.507 6.824 10.285 1.00 0.00 H new ATOM 0 HA ASN A 2 0.865 5.143 8.579 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.795 4.522 10.318 1.00 0.00 H new ATOM 0 HB3 ASN A 2 0.767 3.898 10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.937 5.961 13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.583 4.727 12.533 1.00 0.00 H new ATOM 34 N LYS A 3 -1.159 6.980 9.465 1.00 0.00 N ATOM 35 CA LYS A 3 -1.949 8.233 9.245 1.00 0.00 C ATOM 36 C LYS A 3 -1.402 9.399 10.092 1.00 0.00 C ATOM 37 O LYS A 3 -1.877 10.512 9.988 1.00 0.00 O ATOM 38 CB LYS A 3 -3.383 7.884 9.669 1.00 0.00 C ATOM 39 CG LYS A 3 -4.226 7.526 8.432 1.00 0.00 C ATOM 40 CD LYS A 3 -5.625 8.146 8.561 1.00 0.00 C ATOM 41 CE LYS A 3 -6.617 7.420 7.634 1.00 0.00 C ATOM 42 NZ LYS A 3 -7.240 6.373 8.492 1.00 0.00 N ATOM 0 H LYS A 3 -1.712 6.165 9.731 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.894 8.561 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.371 7.046 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.832 8.728 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.738 7.892 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.305 6.443 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.966 8.079 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.586 9.205 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.366 8.107 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.108 6.979 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.034 5.934 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.532 5.646 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.589 6.807 9.371 1.00 0.00 H new ATOM 56 N THR A 4 -0.415 9.160 10.923 1.00 0.00 N ATOM 57 CA THR A 4 0.151 10.266 11.754 1.00 0.00 C ATOM 58 C THR A 4 1.630 10.484 11.411 1.00 0.00 C ATOM 59 O THR A 4 2.029 11.527 10.917 1.00 0.00 O ATOM 60 CB THR A 4 0.000 9.791 13.202 1.00 0.00 C ATOM 61 OG1 THR A 4 -1.379 9.642 13.509 1.00 0.00 O ATOM 62 CG2 THR A 4 0.628 10.817 14.150 1.00 0.00 C ATOM 0 H THR A 4 0.021 8.248 11.060 1.00 0.00 H new ATOM 0 HA THR A 4 -0.358 11.214 11.581 1.00 0.00 H new ATOM 0 HB THR A 4 0.506 8.833 13.323 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.477 9.336 14.435 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.519 10.476 15.179 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.687 10.929 13.915 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.126 11.777 14.031 1.00 0.00 H new ATOM 70 N GLU A 5 2.452 9.507 11.665 1.00 0.00 N ATOM 71 CA GLU A 5 3.900 9.662 11.353 1.00 0.00 C ATOM 72 C GLU A 5 4.059 10.146 9.914 1.00 0.00 C ATOM 73 O GLU A 5 4.842 11.032 9.632 1.00 0.00 O ATOM 74 CB GLU A 5 4.518 8.280 11.538 1.00 0.00 C ATOM 75 CG GLU A 5 4.221 7.760 12.949 1.00 0.00 C ATOM 76 CD GLU A 5 5.468 7.077 13.517 1.00 0.00 C ATOM 77 OE1 GLU A 5 6.369 7.784 13.932 1.00 0.00 O ATOM 78 OE2 GLU A 5 5.497 5.857 13.528 1.00 0.00 O ATOM 0 H GLU A 5 2.187 8.611 12.073 1.00 0.00 H new ATOM 0 HA GLU A 5 4.388 10.393 11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.117 7.590 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.595 8.329 11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.919 8.584 13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.389 7.056 12.921 1.00 0.00 H new ATOM 85 N LEU A 6 3.305 9.590 9.002 1.00 0.00 N ATOM 86 CA LEU A 6 3.411 10.054 7.588 1.00 0.00 C ATOM 87 C LEU A 6 3.037 11.540 7.501 1.00 0.00 C ATOM 88 O LEU A 6 3.587 12.278 6.702 1.00 0.00 O ATOM 89 CB LEU A 6 2.430 9.195 6.788 1.00 0.00 C ATOM 90 CG LEU A 6 3.073 7.841 6.475 1.00 0.00 C ATOM 91 CD1 LEU A 6 2.028 6.909 5.855 1.00 0.00 C ATOM 92 CD2 LEU A 6 4.227 8.036 5.485 1.00 0.00 C ATOM 0 H LEU A 6 2.629 8.845 9.172 1.00 0.00 H new ATOM 0 HA LEU A 6 4.424 9.953 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.511 9.050 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.157 9.702 5.863 1.00 0.00 H new ATOM 0 HG LEU A 6 3.454 7.402 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.486 5.945 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.206 6.766 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.647 7.351 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.683 7.071 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.846 8.477 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.974 8.699 5.923 1.00 0.00 H new ATOM 104 N ILE A 7 2.127 12.005 8.330 1.00 0.00 N ATOM 105 CA ILE A 7 1.774 13.457 8.274 1.00 0.00 C ATOM 106 C ILE A 7 3.039 14.245 8.564 1.00 0.00 C ATOM 107 O ILE A 7 3.348 15.209 7.896 1.00 0.00 O ATOM 108 CB ILE A 7 0.661 13.723 9.315 1.00 0.00 C ATOM 109 CG1 ILE A 7 1.234 13.942 10.725 1.00 0.00 C ATOM 110 CG2 ILE A 7 -0.326 12.558 9.341 1.00 0.00 C ATOM 111 CD1 ILE A 7 1.456 15.438 10.957 1.00 0.00 C ATOM 0 H ILE A 7 1.626 11.454 9.027 1.00 0.00 H new ATOM 0 HA ILE A 7 1.395 13.760 7.298 1.00 0.00 H new ATOM 0 HB ILE A 7 0.147 14.636 9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.549 13.544 11.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.175 13.402 10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.104 12.757 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.779 12.443 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.200 11.641 9.608 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.862 15.595 11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.158 15.821 10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.507 15.965 10.864 1.00 0.00 H new ATOM 123 N LYS A 8 3.801 13.802 9.523 1.00 0.00 N ATOM 124 CA LYS A 8 5.080 14.490 9.823 1.00 0.00 C ATOM 125 C LYS A 8 6.031 14.258 8.648 1.00 0.00 C ATOM 126 O LYS A 8 6.851 15.095 8.322 1.00 0.00 O ATOM 127 CB LYS A 8 5.597 13.848 11.124 1.00 0.00 C ATOM 128 CG LYS A 8 6.856 13.014 10.855 1.00 0.00 C ATOM 129 CD LYS A 8 7.301 12.325 12.146 1.00 0.00 C ATOM 130 CE LYS A 8 6.798 10.878 12.157 1.00 0.00 C ATOM 131 NZ LYS A 8 7.999 10.054 12.470 1.00 0.00 N ATOM 0 H LYS A 8 3.592 12.994 10.110 1.00 0.00 H new ATOM 0 HA LYS A 8 4.981 15.567 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.819 14.625 11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.822 13.216 11.556 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.654 12.270 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.654 13.653 10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.388 12.343 12.224 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.911 12.863 13.010 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.017 10.737 12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.370 10.602 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.706 9.188 12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.486 9.800 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.645 10.598 13.077 1.00 0.00 H new ATOM 145 N ALA A 9 5.907 13.129 7.993 1.00 0.00 N ATOM 146 CA ALA A 9 6.778 12.844 6.821 1.00 0.00 C ATOM 147 C ALA A 9 6.609 13.957 5.795 1.00 0.00 C ATOM 148 O ALA A 9 7.563 14.398 5.188 1.00 0.00 O ATOM 149 CB ALA A 9 6.276 11.519 6.259 1.00 0.00 C ATOM 0 H ALA A 9 5.238 12.395 8.223 1.00 0.00 H new ATOM 0 HA ALA A 9 7.835 12.789 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.873 11.243 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.365 10.744 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.231 11.621 5.965 1.00 0.00 H new ATOM 155 N ILE A 10 5.405 14.441 5.619 1.00 0.00 N ATOM 156 CA ILE A 10 5.194 15.543 4.668 1.00 0.00 C ATOM 157 C ILE A 10 5.277 16.838 5.458 1.00 0.00 C ATOM 158 O ILE A 10 5.715 17.856 4.974 1.00 0.00 O ATOM 159 CB ILE A 10 3.787 15.304 4.087 1.00 0.00 C ATOM 160 CG1 ILE A 10 3.900 14.592 2.737 1.00 0.00 C ATOM 161 CG2 ILE A 10 3.048 16.635 3.893 1.00 0.00 C ATOM 162 CD1 ILE A 10 4.554 13.222 2.932 1.00 0.00 C ATOM 0 H ILE A 10 4.567 14.112 6.099 1.00 0.00 H new ATOM 0 HA ILE A 10 5.925 15.596 3.861 1.00 0.00 H new ATOM 0 HB ILE A 10 3.226 14.686 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.912 14.474 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.491 15.193 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.057 16.444 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.951 17.141 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.610 17.267 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.634 12.717 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.549 13.351 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.946 12.621 3.608 1.00 0.00 H new ATOM 174 N ALA A 11 4.903 16.802 6.694 1.00 0.00 N ATOM 175 CA ALA A 11 5.010 18.035 7.497 1.00 0.00 C ATOM 176 C ALA A 11 6.489 18.426 7.597 1.00 0.00 C ATOM 177 O ALA A 11 6.827 19.525 7.991 1.00 0.00 O ATOM 178 CB ALA A 11 4.435 17.662 8.861 1.00 0.00 C ATOM 0 H ALA A 11 4.533 15.985 7.179 1.00 0.00 H new ATOM 0 HA ALA A 11 4.479 18.885 7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.477 18.527 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.399 17.344 8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.018 16.848 9.291 1.00 0.00 H new ATOM 184 N GLN A 12 7.373 17.527 7.228 1.00 0.00 N ATOM 185 CA GLN A 12 8.824 17.837 7.283 1.00 0.00 C ATOM 186 C GLN A 12 9.426 17.797 5.875 1.00 0.00 C ATOM 187 O GLN A 12 10.146 18.694 5.482 1.00 0.00 O ATOM 188 CB GLN A 12 9.432 16.751 8.172 1.00 0.00 C ATOM 189 CG GLN A 12 8.798 16.811 9.562 1.00 0.00 C ATOM 190 CD GLN A 12 9.313 18.044 10.305 1.00 0.00 C ATOM 191 OE1 GLN A 12 8.683 19.083 10.293 1.00 0.00 O ATOM 192 NE2 GLN A 12 10.442 17.974 10.956 1.00 0.00 N ATOM 0 H GLN A 12 7.143 16.592 6.891 1.00 0.00 H new ATOM 0 HA GLN A 12 9.021 18.833 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.267 15.769 7.728 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.511 16.890 8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.712 16.852 9.477 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.040 15.908 10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.971 17.102 10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.795 18.791 11.454 1.00 0.00 H new ATOM 201 N ASP A 13 9.108 16.796 5.090 1.00 0.00 N ATOM 202 CA ASP A 13 9.646 16.768 3.694 1.00 0.00 C ATOM 203 C ASP A 13 8.996 17.925 2.949 1.00 0.00 C ATOM 204 O ASP A 13 9.507 18.451 1.979 1.00 0.00 O ATOM 205 CB ASP A 13 9.195 15.433 3.101 1.00 0.00 C ATOM 206 CG ASP A 13 10.013 14.296 3.718 1.00 0.00 C ATOM 207 OD1 ASP A 13 10.016 14.184 4.932 1.00 0.00 O ATOM 208 OD2 ASP A 13 10.625 13.558 2.964 1.00 0.00 O ATOM 0 H ASP A 13 8.511 16.011 5.349 1.00 0.00 H new ATOM 0 HA ASP A 13 10.730 16.863 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.134 15.278 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.324 15.442 2.019 1.00 0.00 H new ATOM 213 N THR A 14 7.862 18.315 3.444 1.00 0.00 N ATOM 214 CA THR A 14 7.089 19.432 2.871 1.00 0.00 C ATOM 215 C THR A 14 7.139 20.581 3.890 1.00 0.00 C ATOM 216 O THR A 14 7.839 21.559 3.709 1.00 0.00 O ATOM 217 CB THR A 14 5.688 18.827 2.729 1.00 0.00 C ATOM 218 OG1 THR A 14 5.758 17.433 2.972 1.00 0.00 O ATOM 219 CG2 THR A 14 5.165 19.007 1.327 1.00 0.00 C ATOM 0 H THR A 14 7.425 17.883 4.258 1.00 0.00 H new ATOM 0 HA THR A 14 7.443 19.833 1.921 1.00 0.00 H new ATOM 0 HB THR A 14 5.030 19.328 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.767 16.952 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.170 18.570 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.113 20.070 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.834 18.512 0.623 1.00 0.00 H new ATOM 227 N GLY A 15 6.441 20.435 4.988 1.00 0.00 N ATOM 228 CA GLY A 15 6.475 21.474 6.069 1.00 0.00 C ATOM 229 C GLY A 15 6.052 22.840 5.536 1.00 0.00 C ATOM 230 O GLY A 15 6.323 23.863 6.135 1.00 0.00 O ATOM 0 H GLY A 15 5.842 19.633 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.813 21.178 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.481 21.538 6.484 1.00 0.00 H new ATOM 234 N LEU A 16 5.384 22.864 4.428 1.00 0.00 N ATOM 235 CA LEU A 16 4.925 24.167 3.853 1.00 0.00 C ATOM 236 C LEU A 16 3.990 24.864 4.826 1.00 0.00 C ATOM 237 O LEU A 16 4.289 25.910 5.368 1.00 0.00 O ATOM 238 CB LEU A 16 4.149 23.802 2.592 1.00 0.00 C ATOM 239 CG LEU A 16 5.107 23.232 1.562 1.00 0.00 C ATOM 240 CD1 LEU A 16 5.079 21.713 1.626 1.00 0.00 C ATOM 241 CD2 LEU A 16 4.681 23.686 0.160 1.00 0.00 C ATOM 0 H LEU A 16 5.130 22.038 3.886 1.00 0.00 H new ATOM 0 HA LEU A 16 5.763 24.834 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.373 23.073 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.648 24.683 2.191 1.00 0.00 H new ATOM 0 HG LEU A 16 6.116 23.588 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.767 21.305 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.380 21.385 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.070 21.359 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.369 23.277 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.672 23.330 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.699 24.775 0.109 1.00 0.00 H new ATOM 253 N THR A 17 2.855 24.278 5.038 1.00 0.00 N ATOM 254 CA THR A 17 1.862 24.865 5.962 1.00 0.00 C ATOM 255 C THR A 17 1.306 23.769 6.858 1.00 0.00 C ATOM 256 O THR A 17 0.322 23.957 7.548 1.00 0.00 O ATOM 257 CB THR A 17 0.766 25.418 5.039 1.00 0.00 C ATOM 258 OG1 THR A 17 0.236 26.612 5.595 1.00 0.00 O ATOM 259 CG2 THR A 17 -0.356 24.387 4.870 1.00 0.00 C ATOM 0 H THR A 17 2.569 23.401 4.602 1.00 0.00 H new ATOM 0 HA THR A 17 2.277 25.637 6.611 1.00 0.00 H new ATOM 0 HB THR A 17 1.200 25.630 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.462 26.966 5.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.126 24.792 4.214 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.051 23.475 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.791 24.160 5.843 1.00 0.00 H new ATOM 267 N GLN A 18 1.883 22.595 6.803 1.00 0.00 N ATOM 268 CA GLN A 18 1.324 21.469 7.589 1.00 0.00 C ATOM 269 C GLN A 18 -0.116 21.299 7.127 1.00 0.00 C ATOM 270 O GLN A 18 -0.974 20.850 7.860 1.00 0.00 O ATOM 271 CB GLN A 18 1.396 21.880 9.063 1.00 0.00 C ATOM 272 CG GLN A 18 2.760 22.510 9.355 1.00 0.00 C ATOM 273 CD GLN A 18 3.050 22.434 10.854 1.00 0.00 C ATOM 274 OE1 GLN A 18 2.150 22.526 11.665 1.00 0.00 O ATOM 275 NE2 GLN A 18 4.278 22.267 11.261 1.00 0.00 N ATOM 0 H GLN A 18 2.711 22.375 6.250 1.00 0.00 H new ATOM 0 HA GLN A 18 1.860 20.529 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.600 22.589 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.242 21.010 9.701 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.539 21.990 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.770 23.549 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.035 22.190 10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.482 22.214 12.259 1.00 0.00 H new ATOM 284 N VAL A 19 -0.355 21.689 5.890 1.00 0.00 N ATOM 285 CA VAL A 19 -1.712 21.615 5.267 1.00 0.00 C ATOM 286 C VAL A 19 -2.660 20.792 6.138 1.00 0.00 C ATOM 287 O VAL A 19 -3.240 21.280 7.088 1.00 0.00 O ATOM 288 CB VAL A 19 -1.467 20.983 3.858 1.00 0.00 C ATOM 289 CG1 VAL A 19 -0.365 19.926 3.917 1.00 0.00 C ATOM 290 CG2 VAL A 19 -2.726 20.309 3.292 1.00 0.00 C ATOM 0 H VAL A 19 0.363 22.067 5.272 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.195 22.588 5.174 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.177 21.809 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.214 19.502 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.562 20.386 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.656 19.136 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.503 19.886 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.048 19.515 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.522 21.047 3.196 1.00 0.00 H new ATOM 300 N SER A 20 -2.788 19.557 5.832 1.00 0.00 N ATOM 301 CA SER A 20 -3.631 18.657 6.597 1.00 0.00 C ATOM 302 C SER A 20 -2.835 17.389 6.782 1.00 0.00 C ATOM 303 O SER A 20 -3.396 16.335 6.910 1.00 0.00 O ATOM 304 CB SER A 20 -4.857 18.437 5.730 1.00 0.00 C ATOM 305 OG SER A 20 -5.972 19.102 6.309 1.00 0.00 O ATOM 0 H SER A 20 -2.316 19.118 5.042 1.00 0.00 H new ATOM 0 HA SER A 20 -3.933 19.024 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.677 18.815 4.724 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.064 17.371 5.637 1.00 0.00 H new ATOM 0 HG SER A 20 -5.663 19.890 6.803 1.00 0.00 H new ATOM 311 N VAL A 21 -1.518 17.475 6.727 1.00 0.00 N ATOM 312 CA VAL A 21 -0.651 16.263 6.851 1.00 0.00 C ATOM 313 C VAL A 21 -1.442 15.130 7.477 1.00 0.00 C ATOM 314 O VAL A 21 -1.371 13.983 7.075 1.00 0.00 O ATOM 315 CB VAL A 21 0.495 16.702 7.763 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.294 17.813 7.079 1.00 0.00 C ATOM 317 CG2 VAL A 21 -0.060 17.224 9.092 1.00 0.00 C ATOM 0 H VAL A 21 -1.008 18.349 6.600 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.286 15.899 5.890 1.00 0.00 H new ATOM 0 HB VAL A 21 1.142 15.846 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.111 18.126 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.700 17.442 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.640 18.663 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.765 17.534 9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.713 18.076 8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.627 16.434 9.585 1.00 0.00 H new ATOM 327 N SER A 22 -2.242 15.486 8.426 1.00 0.00 N ATOM 328 CA SER A 22 -3.111 14.480 9.100 1.00 0.00 C ATOM 329 C SER A 22 -4.396 14.285 8.297 1.00 0.00 C ATOM 330 O SER A 22 -4.904 13.189 8.174 1.00 0.00 O ATOM 331 CB SER A 22 -3.416 15.069 10.476 1.00 0.00 C ATOM 332 OG SER A 22 -3.706 16.454 10.339 1.00 0.00 O ATOM 0 H SER A 22 -2.338 16.440 8.774 1.00 0.00 H new ATOM 0 HA SER A 22 -2.632 13.504 9.181 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.263 14.551 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.565 14.928 11.142 1.00 0.00 H new ATOM 0 HG SER A 22 -3.904 16.835 11.220 1.00 0.00 H new ATOM 338 N LYS A 23 -4.914 15.344 7.742 1.00 0.00 N ATOM 339 CA LYS A 23 -6.154 15.238 6.936 1.00 0.00 C ATOM 340 C LYS A 23 -5.834 14.858 5.486 1.00 0.00 C ATOM 341 O LYS A 23 -6.601 14.157 4.858 1.00 0.00 O ATOM 342 CB LYS A 23 -6.796 16.622 7.002 1.00 0.00 C ATOM 343 CG LYS A 23 -8.169 16.532 7.672 1.00 0.00 C ATOM 344 CD LYS A 23 -9.213 17.265 6.820 1.00 0.00 C ATOM 345 CE LYS A 23 -8.684 18.649 6.427 1.00 0.00 C ATOM 346 NZ LYS A 23 -9.894 19.512 6.327 1.00 0.00 N ATOM 0 H LYS A 23 -4.526 16.285 7.815 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.818 14.462 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.154 17.303 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.899 17.032 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.456 15.488 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.127 16.971 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.438 16.684 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.144 17.366 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.987 19.031 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.147 18.611 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.611 20.477 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.536 19.128 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.381 19.535 7.246 1.00 0.00 H new ATOM 360 N MET A 24 -4.717 15.290 4.936 1.00 0.00 N ATOM 361 CA MET A 24 -4.426 14.895 3.527 1.00 0.00 C ATOM 362 C MET A 24 -3.999 13.428 3.501 1.00 0.00 C ATOM 363 O MET A 24 -4.442 12.681 2.654 1.00 0.00 O ATOM 364 CB MET A 24 -3.336 15.822 2.945 1.00 0.00 C ATOM 365 CG MET A 24 -2.457 16.445 4.027 1.00 0.00 C ATOM 366 SD MET A 24 -0.739 16.305 3.518 1.00 0.00 S ATOM 367 CE MET A 24 -0.626 14.572 3.989 1.00 0.00 C ATOM 0 H MET A 24 -4.019 15.880 5.389 1.00 0.00 H new ATOM 0 HA MET A 24 -5.316 15.002 2.907 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.711 15.254 2.256 1.00 0.00 H new ATOM 0 HB3 MET A 24 -3.810 16.615 2.366 1.00 0.00 H new ATOM 0 HG2 MET A 24 -2.724 17.491 4.176 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.612 15.938 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.420 14.302 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.175 14.411 4.917 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.054 13.952 3.201 1.00 0.00 H new ATOM 377 N LEU A 25 -3.184 12.974 4.433 1.00 0.00 N ATOM 378 CA LEU A 25 -2.834 11.527 4.412 1.00 0.00 C ATOM 379 C LEU A 25 -4.078 10.735 4.794 1.00 0.00 C ATOM 380 O LEU A 25 -4.425 9.758 4.158 1.00 0.00 O ATOM 381 CB LEU A 25 -1.729 11.340 5.437 1.00 0.00 C ATOM 382 CG LEU A 25 -0.388 11.523 4.736 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.644 12.066 5.720 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.088 10.176 4.187 1.00 0.00 C ATOM 0 H LEU A 25 -2.763 13.527 5.179 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.497 11.185 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.836 12.062 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.791 10.348 5.885 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.506 12.231 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.600 12.194 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.307 13.028 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.764 11.365 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.047 10.306 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.201 9.468 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.644 9.794 3.476 1.00 0.00 H new ATOM 396 N ALA A 26 -4.785 11.182 5.801 1.00 0.00 N ATOM 397 CA ALA A 26 -6.043 10.483 6.182 1.00 0.00 C ATOM 398 C ALA A 26 -6.986 10.556 4.988 1.00 0.00 C ATOM 399 O ALA A 26 -7.748 9.648 4.718 1.00 0.00 O ATOM 400 CB ALA A 26 -6.607 11.260 7.373 1.00 0.00 C ATOM 0 H ALA A 26 -4.546 11.994 6.370 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.897 9.436 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.536 10.796 7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.885 11.248 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.802 12.290 7.076 1.00 0.00 H new ATOM 406 N SER A 27 -6.896 11.627 4.238 1.00 0.00 N ATOM 407 CA SER A 27 -7.737 11.755 3.025 1.00 0.00 C ATOM 408 C SER A 27 -7.133 10.858 1.955 1.00 0.00 C ATOM 409 O SER A 27 -7.828 10.204 1.216 1.00 0.00 O ATOM 410 CB SER A 27 -7.651 13.223 2.612 1.00 0.00 C ATOM 411 OG SER A 27 -8.080 13.356 1.264 1.00 0.00 O ATOM 0 H SER A 27 -6.274 12.414 4.420 1.00 0.00 H new ATOM 0 HA SER A 27 -8.776 11.465 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.273 13.834 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.628 13.583 2.718 1.00 0.00 H new ATOM 0 HG SER A 27 -9.033 13.138 1.201 1.00 0.00 H new ATOM 417 N PHE A 28 -5.825 10.807 1.903 1.00 0.00 N ATOM 418 CA PHE A 28 -5.136 9.928 0.914 1.00 0.00 C ATOM 419 C PHE A 28 -5.611 8.501 1.133 1.00 0.00 C ATOM 420 O PHE A 28 -5.846 7.763 0.213 1.00 0.00 O ATOM 421 CB PHE A 28 -3.641 10.082 1.227 1.00 0.00 C ATOM 422 CG PHE A 28 -2.900 8.760 1.100 1.00 0.00 C ATOM 423 CD1 PHE A 28 -2.934 7.819 2.141 1.00 0.00 C ATOM 424 CD2 PHE A 28 -2.141 8.492 -0.045 1.00 0.00 C ATOM 425 CE1 PHE A 28 -2.221 6.624 2.029 1.00 0.00 C ATOM 426 CE2 PHE A 28 -1.421 7.303 -0.148 1.00 0.00 C ATOM 427 CZ PHE A 28 -1.460 6.368 0.885 1.00 0.00 C ATOM 0 H PHE A 28 -5.202 11.341 2.509 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.341 10.184 -0.125 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.201 10.813 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.519 10.472 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.513 8.020 3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.113 9.209 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.257 5.897 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.831 7.106 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.903 5.447 0.801 1.00 0.00 H new ATOM 437 N GLU A 29 -5.798 8.131 2.353 1.00 0.00 N ATOM 438 CA GLU A 29 -6.299 6.781 2.646 1.00 0.00 C ATOM 439 C GLU A 29 -7.775 6.782 2.366 1.00 0.00 C ATOM 440 O GLU A 29 -8.333 5.845 1.836 1.00 0.00 O ATOM 441 CB GLU A 29 -5.998 6.600 4.117 1.00 0.00 C ATOM 442 CG GLU A 29 -4.630 5.963 4.208 1.00 0.00 C ATOM 443 CD GLU A 29 -3.852 6.559 5.382 1.00 0.00 C ATOM 444 OE1 GLU A 29 -3.518 7.731 5.311 1.00 0.00 O ATOM 445 OE2 GLU A 29 -3.603 5.838 6.332 1.00 0.00 O ATOM 0 H GLU A 29 -5.622 8.715 3.171 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.855 5.978 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.013 7.559 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.750 5.969 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.730 4.885 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.083 6.124 3.279 1.00 0.00 H new ATOM 452 N LYS A 30 -8.398 7.871 2.671 1.00 0.00 N ATOM 453 CA LYS A 30 -9.832 7.990 2.377 1.00 0.00 C ATOM 454 C LYS A 30 -10.000 8.061 0.863 1.00 0.00 C ATOM 455 O LYS A 30 -11.037 7.775 0.354 1.00 0.00 O ATOM 456 CB LYS A 30 -10.295 9.288 3.032 1.00 0.00 C ATOM 457 CG LYS A 30 -11.821 9.363 2.957 1.00 0.00 C ATOM 458 CD LYS A 30 -12.331 10.440 3.917 1.00 0.00 C ATOM 459 CE LYS A 30 -12.574 11.739 3.146 1.00 0.00 C ATOM 460 NZ LYS A 30 -12.588 12.806 4.186 1.00 0.00 N ATOM 0 H LYS A 30 -7.972 8.686 3.113 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.413 7.147 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.966 9.324 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.850 10.145 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -12.134 9.592 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.256 8.397 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.254 10.110 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.604 10.607 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.789 11.915 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.518 11.705 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.750 13.729 3.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.350 12.616 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.674 12.819 4.682 1.00 0.00 H new ATOM 474 N ILE A 31 -8.972 8.410 0.131 1.00 0.00 N ATOM 475 CA ILE A 31 -9.117 8.456 -1.347 1.00 0.00 C ATOM 476 C ILE A 31 -8.401 7.268 -1.959 1.00 0.00 C ATOM 477 O ILE A 31 -8.815 6.738 -2.958 1.00 0.00 O ATOM 478 CB ILE A 31 -8.525 9.773 -1.813 1.00 0.00 C ATOM 479 CG1 ILE A 31 -7.108 9.952 -1.306 1.00 0.00 C ATOM 480 CG2 ILE A 31 -9.405 10.923 -1.330 1.00 0.00 C ATOM 481 CD1 ILE A 31 -6.164 10.029 -2.505 1.00 0.00 C ATOM 0 H ILE A 31 -8.051 8.661 0.491 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.161 8.398 -1.656 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.489 9.769 -2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.033 10.860 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.830 9.120 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.981 11.870 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.409 10.810 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.454 10.911 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.140 10.158 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.236 9.109 -3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.442 10.876 -3.133 1.00 0.00 H new ATOM 493 N ILE A 32 -7.360 6.809 -1.340 1.00 0.00 N ATOM 494 CA ILE A 32 -6.673 5.603 -1.874 1.00 0.00 C ATOM 495 C ILE A 32 -7.623 4.438 -1.702 1.00 0.00 C ATOM 496 O ILE A 32 -7.958 3.739 -2.641 1.00 0.00 O ATOM 497 CB ILE A 32 -5.417 5.361 -1.032 1.00 0.00 C ATOM 498 CG1 ILE A 32 -4.419 6.518 -1.225 1.00 0.00 C ATOM 499 CG2 ILE A 32 -4.787 4.047 -1.509 1.00 0.00 C ATOM 500 CD1 ILE A 32 -3.218 6.059 -2.051 1.00 0.00 C ATOM 0 H ILE A 32 -6.954 7.209 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.397 5.723 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.673 5.305 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.913 7.352 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.082 6.881 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.887 3.843 -0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.498 3.232 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.527 4.130 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.524 6.890 -2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.714 5.240 -1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.558 5.719 -3.029 1.00 0.00 H new ATOM 512 N THR A 33 -8.077 4.246 -0.499 1.00 0.00 N ATOM 513 CA THR A 33 -9.024 3.149 -0.249 1.00 0.00 C ATOM 514 C THR A 33 -10.351 3.492 -0.935 1.00 0.00 C ATOM 515 O THR A 33 -11.000 2.645 -1.521 1.00 0.00 O ATOM 516 CB THR A 33 -9.153 3.062 1.284 1.00 0.00 C ATOM 517 OG1 THR A 33 -8.715 1.785 1.719 1.00 0.00 O ATOM 518 CG2 THR A 33 -10.603 3.268 1.715 1.00 0.00 C ATOM 0 H THR A 33 -7.829 4.805 0.317 1.00 0.00 H new ATOM 0 HA THR A 33 -8.702 2.187 -0.647 1.00 0.00 H new ATOM 0 HB THR A 33 -8.539 3.843 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.743 1.798 1.845 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.673 3.203 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.944 4.250 1.388 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.229 2.498 1.264 1.00 0.00 H new ATOM 526 N GLU A 34 -10.757 4.738 -0.869 1.00 0.00 N ATOM 527 CA GLU A 34 -12.034 5.136 -1.515 1.00 0.00 C ATOM 528 C GLU A 34 -11.901 5.180 -3.045 1.00 0.00 C ATOM 529 O GLU A 34 -12.830 4.840 -3.743 1.00 0.00 O ATOM 530 CB GLU A 34 -12.324 6.516 -0.951 1.00 0.00 C ATOM 531 CG GLU A 34 -12.849 6.369 0.491 1.00 0.00 C ATOM 532 CD GLU A 34 -14.191 5.635 0.477 1.00 0.00 C ATOM 533 OE1 GLU A 34 -15.120 6.151 -0.121 1.00 0.00 O ATOM 534 OE2 GLU A 34 -14.267 4.569 1.067 1.00 0.00 O ATOM 0 H GLU A 34 -10.256 5.490 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.836 4.426 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.420 7.125 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.061 7.028 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.129 5.819 1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.965 7.352 0.948 1.00 0.00 H new ATOM 541 N THR A 35 -10.764 5.577 -3.586 1.00 0.00 N ATOM 542 CA THR A 35 -10.643 5.599 -5.081 1.00 0.00 C ATOM 543 C THR A 35 -10.879 4.200 -5.590 1.00 0.00 C ATOM 544 O THR A 35 -11.699 3.982 -6.458 1.00 0.00 O ATOM 545 CB THR A 35 -9.223 6.051 -5.432 1.00 0.00 C ATOM 546 OG1 THR A 35 -9.116 7.458 -5.254 1.00 0.00 O ATOM 547 CG2 THR A 35 -8.930 5.697 -6.899 1.00 0.00 C ATOM 0 H THR A 35 -9.937 5.878 -3.070 1.00 0.00 H new ATOM 0 HA THR A 35 -11.367 6.278 -5.532 1.00 0.00 H new ATOM 0 HB THR A 35 -8.506 5.549 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.013 7.660 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.920 6.016 -7.156 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.016 4.619 -7.037 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.646 6.204 -7.546 1.00 0.00 H new ATOM 555 N VAL A 36 -10.199 3.238 -5.038 1.00 0.00 N ATOM 556 CA VAL A 36 -10.455 1.848 -5.485 1.00 0.00 C ATOM 557 C VAL A 36 -11.958 1.610 -5.335 1.00 0.00 C ATOM 558 O VAL A 36 -12.594 0.978 -6.156 1.00 0.00 O ATOM 559 CB VAL A 36 -9.638 0.962 -4.538 1.00 0.00 C ATOM 560 CG1 VAL A 36 -10.507 -0.179 -3.995 1.00 0.00 C ATOM 561 CG2 VAL A 36 -8.448 0.384 -5.301 1.00 0.00 C ATOM 0 H VAL A 36 -9.492 3.351 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.174 1.641 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.285 1.561 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.914 -0.800 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -11.355 0.237 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -10.871 -0.786 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.861 -0.248 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.808 -0.210 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.824 1.197 -5.673 1.00 0.00 H new ATOM 571 N ALA A 37 -12.525 2.165 -4.297 1.00 0.00 N ATOM 572 CA ALA A 37 -13.987 2.034 -4.085 1.00 0.00 C ATOM 573 C ALA A 37 -14.727 3.048 -4.956 1.00 0.00 C ATOM 574 O ALA A 37 -15.938 3.054 -5.037 1.00 0.00 O ATOM 575 CB ALA A 37 -14.207 2.338 -2.618 1.00 0.00 C ATOM 0 H ALA A 37 -12.032 2.705 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.357 1.044 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.269 2.261 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.650 1.624 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.861 3.348 -2.400 1.00 0.00 H new ATOM 581 N LYS A 38 -13.998 3.892 -5.629 1.00 0.00 N ATOM 582 CA LYS A 38 -14.637 4.887 -6.528 1.00 0.00 C ATOM 583 C LYS A 38 -14.508 4.370 -7.945 1.00 0.00 C ATOM 584 O LYS A 38 -15.294 4.685 -8.818 1.00 0.00 O ATOM 585 CB LYS A 38 -13.855 6.189 -6.336 1.00 0.00 C ATOM 586 CG LYS A 38 -14.831 7.364 -6.234 1.00 0.00 C ATOM 587 CD LYS A 38 -15.581 7.291 -4.902 1.00 0.00 C ATOM 588 CE LYS A 38 -14.601 7.522 -3.746 1.00 0.00 C ATOM 589 NZ LYS A 38 -14.974 8.851 -3.185 1.00 0.00 N ATOM 0 H LYS A 38 -12.979 3.934 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.693 5.053 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.246 6.130 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.172 6.342 -7.172 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.290 8.307 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.538 7.336 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.372 8.041 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.061 6.318 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.686 6.738 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.569 7.517 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.347 9.080 -2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.877 9.578 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.959 8.824 -2.853 1.00 0.00 H new ATOM 603 N GLY A 39 -13.531 3.540 -8.162 1.00 0.00 N ATOM 604 CA GLY A 39 -13.347 2.950 -9.494 1.00 0.00 C ATOM 605 C GLY A 39 -12.156 3.586 -10.204 1.00 0.00 C ATOM 606 O GLY A 39 -12.201 3.845 -11.390 1.00 0.00 O ATOM 0 H GLY A 39 -12.850 3.248 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.191 1.875 -9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.250 3.092 -10.088 1.00 0.00 H new ATOM 610 N ASP A 40 -11.085 3.831 -9.498 1.00 0.00 N ATOM 611 CA ASP A 40 -9.895 4.438 -10.164 1.00 0.00 C ATOM 612 C ASP A 40 -8.625 3.697 -9.744 1.00 0.00 C ATOM 613 O ASP A 40 -8.322 3.577 -8.573 1.00 0.00 O ATOM 614 CB ASP A 40 -9.865 5.895 -9.696 1.00 0.00 C ATOM 615 CG ASP A 40 -10.230 6.816 -10.863 1.00 0.00 C ATOM 616 OD1 ASP A 40 -11.288 6.621 -11.437 1.00 0.00 O ATOM 617 OD2 ASP A 40 -9.445 7.701 -11.161 1.00 0.00 O ATOM 0 H ASP A 40 -10.982 3.640 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.951 4.374 -11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.566 6.038 -8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.874 6.146 -9.318 1.00 0.00 H new ATOM 622 N LYS A 41 -7.887 3.189 -10.694 1.00 0.00 N ATOM 623 CA LYS A 41 -6.641 2.442 -10.359 1.00 0.00 C ATOM 624 C LYS A 41 -5.494 3.412 -10.061 1.00 0.00 C ATOM 625 O LYS A 41 -4.536 3.503 -10.805 1.00 0.00 O ATOM 626 CB LYS A 41 -6.328 1.601 -11.601 1.00 0.00 C ATOM 627 CG LYS A 41 -6.158 2.514 -12.819 1.00 0.00 C ATOM 628 CD LYS A 41 -4.873 2.143 -13.565 1.00 0.00 C ATOM 629 CE LYS A 41 -4.380 3.351 -14.365 1.00 0.00 C ATOM 630 NZ LYS A 41 -3.830 2.779 -15.625 1.00 0.00 N ATOM 0 H LYS A 41 -8.094 3.260 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.765 1.823 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.418 1.022 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.132 0.887 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.017 2.415 -13.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.118 3.556 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.108 1.826 -12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.058 1.302 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.193 4.048 -14.569 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.617 3.903 -13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.472 3.547 -16.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.054 2.125 -15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.580 2.265 -16.129 1.00 0.00 H new ATOM 644 N VAL A 42 -5.576 4.132 -8.971 1.00 0.00 N ATOM 645 CA VAL A 42 -4.479 5.087 -8.623 1.00 0.00 C ATOM 646 C VAL A 42 -3.161 4.316 -8.471 1.00 0.00 C ATOM 647 O VAL A 42 -3.148 3.177 -8.046 1.00 0.00 O ATOM 648 CB VAL A 42 -4.902 5.741 -7.296 1.00 0.00 C ATOM 649 CG1 VAL A 42 -5.314 4.671 -6.279 1.00 0.00 C ATOM 650 CG2 VAL A 42 -3.736 6.556 -6.729 1.00 0.00 C ATOM 0 H VAL A 42 -6.351 4.101 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.321 5.843 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.752 6.396 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.610 5.151 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.152 4.097 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.473 4.003 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.038 7.018 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.884 5.899 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.454 7.332 -7.441 1.00 0.00 H new ATOM 660 N GLN A 43 -2.058 4.916 -8.837 1.00 0.00 N ATOM 661 CA GLN A 43 -0.753 4.195 -8.734 1.00 0.00 C ATOM 662 C GLN A 43 0.340 5.114 -8.187 1.00 0.00 C ATOM 663 O GLN A 43 0.661 6.127 -8.775 1.00 0.00 O ATOM 664 CB GLN A 43 -0.403 3.785 -10.169 1.00 0.00 C ATOM 665 CG GLN A 43 -1.679 3.453 -10.949 1.00 0.00 C ATOM 666 CD GLN A 43 -1.312 2.778 -12.272 1.00 0.00 C ATOM 667 OE1 GLN A 43 -1.557 1.603 -12.457 1.00 0.00 O ATOM 668 NE2 GLN A 43 -0.730 3.477 -13.208 1.00 0.00 N ATOM 0 H GLN A 43 -2.003 5.867 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.826 3.343 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.136 4.593 -10.665 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.260 2.920 -10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.317 2.796 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.248 4.363 -11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.524 4.464 -13.054 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.481 3.036 -14.094 1.00 0.00 H new ATOM 677 N LEU A 44 0.934 4.755 -7.080 1.00 0.00 N ATOM 678 CA LEU A 44 2.025 5.601 -6.520 1.00 0.00 C ATOM 679 C LEU A 44 3.207 5.612 -7.492 1.00 0.00 C ATOM 680 O LEU A 44 3.151 5.014 -8.548 1.00 0.00 O ATOM 681 CB LEU A 44 2.421 4.942 -5.188 1.00 0.00 C ATOM 682 CG LEU A 44 1.273 5.043 -4.167 1.00 0.00 C ATOM 683 CD1 LEU A 44 1.821 4.870 -2.747 1.00 0.00 C ATOM 684 CD2 LEU A 44 0.603 6.414 -4.257 1.00 0.00 C ATOM 0 H LEU A 44 0.712 3.917 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 44 1.714 6.635 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.674 3.895 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.313 5.425 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 44 0.548 4.260 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.003 4.943 -2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.297 3.893 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.554 5.651 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.207 6.472 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.337 7.192 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.201 6.557 -5.260 1.00 0.00 H new ATOM 696 N THR A 45 4.266 6.292 -7.142 1.00 0.00 N ATOM 697 CA THR A 45 5.474 6.362 -8.030 1.00 0.00 C ATOM 698 C THR A 45 5.713 5.035 -8.757 1.00 0.00 C ATOM 699 O THR A 45 6.165 5.011 -9.885 1.00 0.00 O ATOM 700 CB THR A 45 6.644 6.659 -7.088 1.00 0.00 C ATOM 701 OG1 THR A 45 7.868 6.444 -7.776 1.00 0.00 O ATOM 702 CG2 THR A 45 6.575 5.736 -5.868 1.00 0.00 C ATOM 0 H THR A 45 4.351 6.810 -6.268 1.00 0.00 H new ATOM 0 HA THR A 45 5.352 7.121 -8.803 1.00 0.00 H new ATOM 0 HB THR A 45 6.587 7.696 -6.757 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.619 6.635 -7.176 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.410 5.952 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.636 5.901 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.630 4.697 -6.194 1.00 0.00 H new ATOM 710 N GLY A 46 5.412 3.933 -8.124 1.00 0.00 N ATOM 711 CA GLY A 46 5.624 2.619 -8.790 1.00 0.00 C ATOM 712 C GLY A 46 5.530 1.483 -7.770 1.00 0.00 C ATOM 713 O GLY A 46 5.263 0.350 -8.124 1.00 0.00 O ATOM 0 H GLY A 46 5.030 3.887 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.879 2.476 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.601 2.602 -9.273 1.00 0.00 H new ATOM 717 N PHE A 47 5.756 1.758 -6.509 1.00 0.00 N ATOM 718 CA PHE A 47 5.682 0.663 -5.501 1.00 0.00 C ATOM 719 C PHE A 47 4.238 0.384 -5.086 1.00 0.00 C ATOM 720 O PHE A 47 3.944 -0.677 -4.571 1.00 0.00 O ATOM 721 CB PHE A 47 6.552 1.108 -4.320 1.00 0.00 C ATOM 722 CG PHE A 47 5.974 2.327 -3.651 1.00 0.00 C ATOM 723 CD1 PHE A 47 4.873 2.196 -2.808 1.00 0.00 C ATOM 724 CD2 PHE A 47 6.552 3.584 -3.858 1.00 0.00 C ATOM 725 CE1 PHE A 47 4.344 3.318 -2.171 1.00 0.00 C ATOM 726 CE2 PHE A 47 6.022 4.707 -3.220 1.00 0.00 C ATOM 727 CZ PHE A 47 4.918 4.573 -2.378 1.00 0.00 C ATOM 0 H PHE A 47 5.985 2.681 -6.140 1.00 0.00 H new ATOM 0 HA PHE A 47 6.048 -0.279 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.632 0.296 -3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.561 1.325 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.429 1.225 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.407 3.686 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.490 3.216 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.466 5.679 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.507 5.442 -1.886 1.00 0.00 H new ATOM 737 N LEU A 48 3.327 1.292 -5.313 1.00 0.00 N ATOM 738 CA LEU A 48 1.916 0.999 -4.926 1.00 0.00 C ATOM 739 C LEU A 48 0.956 1.186 -6.107 1.00 0.00 C ATOM 740 O LEU A 48 0.553 2.283 -6.437 1.00 0.00 O ATOM 741 CB LEU A 48 1.595 1.965 -3.794 1.00 0.00 C ATOM 742 CG LEU A 48 1.774 1.281 -2.423 1.00 0.00 C ATOM 743 CD1 LEU A 48 0.900 1.986 -1.395 1.00 0.00 C ATOM 744 CD2 LEU A 48 1.371 -0.199 -2.492 1.00 0.00 C ATOM 0 H LEU A 48 3.492 2.204 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 48 1.798 -0.039 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.246 2.837 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.571 2.324 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 48 2.824 1.344 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.022 1.507 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.195 3.033 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.144 1.924 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.506 -0.659 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.325 -0.278 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.995 -0.712 -3.223 1.00 0.00 H new ATOM 756 N ASN A 49 0.581 0.098 -6.725 1.00 0.00 N ATOM 757 CA ASN A 49 -0.369 0.148 -7.878 1.00 0.00 C ATOM 758 C ASN A 49 -1.808 -0.015 -7.362 1.00 0.00 C ATOM 759 O ASN A 49 -2.465 -0.989 -7.646 1.00 0.00 O ATOM 760 CB ASN A 49 0.029 -1.058 -8.736 1.00 0.00 C ATOM 761 CG ASN A 49 -0.061 -0.689 -10.217 1.00 0.00 C ATOM 762 OD1 ASN A 49 0.905 -0.809 -10.945 1.00 0.00 O ATOM 763 ND2 ASN A 49 -1.188 -0.242 -10.697 1.00 0.00 N ATOM 0 H ASN A 49 0.897 -0.839 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.328 1.086 -8.432 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.043 -1.372 -8.491 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.627 -1.902 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.259 0.007 -11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.998 -0.141 -10.086 1.00 0.00 H new ATOM 770 N ILE A 50 -2.282 0.921 -6.582 1.00 0.00 N ATOM 771 CA ILE A 50 -3.661 0.809 -5.994 1.00 0.00 C ATOM 772 C ILE A 50 -4.754 0.655 -7.065 1.00 0.00 C ATOM 773 O ILE A 50 -4.999 1.548 -7.852 1.00 0.00 O ATOM 774 CB ILE A 50 -3.855 2.115 -5.221 1.00 0.00 C ATOM 775 CG1 ILE A 50 -2.856 2.177 -4.056 1.00 0.00 C ATOM 776 CG2 ILE A 50 -5.287 2.191 -4.674 1.00 0.00 C ATOM 777 CD1 ILE A 50 -3.221 1.140 -2.990 1.00 0.00 C ATOM 0 H ILE A 50 -1.773 1.766 -6.322 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.747 -0.080 -5.369 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.683 2.956 -5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.846 1.992 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.858 3.175 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.418 3.123 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.995 2.155 -5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.467 1.348 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.505 1.194 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.223 1.344 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.195 0.143 -3.429 1.00 0.00 H new ATOM 789 N LYS A 51 -5.441 -0.469 -7.066 1.00 0.00 N ATOM 790 CA LYS A 51 -6.550 -0.685 -8.043 1.00 0.00 C ATOM 791 C LYS A 51 -7.274 -1.993 -7.684 1.00 0.00 C ATOM 792 O LYS A 51 -6.639 -2.973 -7.350 1.00 0.00 O ATOM 793 CB LYS A 51 -5.899 -0.750 -9.427 1.00 0.00 C ATOM 794 CG LYS A 51 -4.755 -1.760 -9.425 1.00 0.00 C ATOM 795 CD LYS A 51 -4.547 -2.304 -10.841 1.00 0.00 C ATOM 796 CE LYS A 51 -5.806 -3.044 -11.305 1.00 0.00 C ATOM 797 NZ LYS A 51 -6.215 -2.357 -12.563 1.00 0.00 N ATOM 0 H LYS A 51 -5.276 -1.246 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.293 0.113 -8.025 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.642 -1.032 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.524 0.234 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.840 -1.287 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.980 -2.578 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.323 -1.486 -11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.691 -2.978 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.601 -4.100 -11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.594 -2.993 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.072 -2.808 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.410 -1.355 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.448 -2.428 -13.262 1.00 0.00 H new ATOM 811 N PRO A 52 -8.584 -1.954 -7.708 1.00 0.00 N ATOM 812 CA PRO A 52 -9.391 -3.135 -7.322 1.00 0.00 C ATOM 813 C PRO A 52 -9.721 -4.052 -8.505 1.00 0.00 C ATOM 814 O PRO A 52 -9.774 -3.632 -9.645 1.00 0.00 O ATOM 815 CB PRO A 52 -10.674 -2.501 -6.799 1.00 0.00 C ATOM 816 CG PRO A 52 -10.778 -1.159 -7.471 1.00 0.00 C ATOM 817 CD PRO A 52 -9.439 -0.827 -8.083 1.00 0.00 C ATOM 0 HA PRO A 52 -8.862 -3.770 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.539 -3.122 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.642 -2.393 -5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.551 -1.178 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.065 -0.395 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.510 -0.724 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.048 0.115 -7.699 1.00 0.00 H new ATOM 825 N VAL A 53 -9.985 -5.306 -8.219 1.00 0.00 N ATOM 826 CA VAL A 53 -10.365 -6.270 -9.298 1.00 0.00 C ATOM 827 C VAL A 53 -11.605 -7.064 -8.884 1.00 0.00 C ATOM 828 O VAL A 53 -11.578 -7.855 -7.966 1.00 0.00 O ATOM 829 CB VAL A 53 -9.175 -7.199 -9.495 1.00 0.00 C ATOM 830 CG1 VAL A 53 -7.975 -6.394 -9.996 1.00 0.00 C ATOM 831 CG2 VAL A 53 -8.818 -7.886 -8.174 1.00 0.00 C ATOM 0 H VAL A 53 -9.953 -5.703 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.607 -5.749 -10.225 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.436 -7.960 -10.230 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.123 -7.060 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.226 -5.920 -10.945 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.719 -5.628 -9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.966 -8.548 -8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.563 -7.132 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.671 -8.468 -7.824 1.00 0.00 H new ATOM 841 N ALA A 54 -12.697 -6.833 -9.550 1.00 0.00 N ATOM 842 CA ALA A 54 -13.974 -7.532 -9.195 1.00 0.00 C ATOM 843 C ALA A 54 -13.790 -9.044 -9.040 1.00 0.00 C ATOM 844 O ALA A 54 -13.054 -9.682 -9.766 1.00 0.00 O ATOM 845 CB ALA A 54 -14.945 -7.222 -10.334 1.00 0.00 C ATOM 0 H ALA A 54 -12.767 -6.185 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.343 -7.183 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.902 -7.705 -10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.090 -6.144 -10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.536 -7.596 -11.273 1.00 0.00 H new ATOM 1164 N VAL A 75 -14.839 -6.811 -4.925 1.00 0.00 N ATOM 1165 CA VAL A 75 -13.662 -6.592 -5.818 1.00 0.00 C ATOM 1166 C VAL A 75 -12.414 -7.140 -5.124 1.00 0.00 C ATOM 1167 O VAL A 75 -12.474 -7.585 -3.994 1.00 0.00 O ATOM 1168 CB VAL A 75 -13.569 -5.064 -6.034 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -12.370 -4.486 -5.280 1.00 0.00 C ATOM 1170 CG2 VAL A 75 -13.399 -4.759 -7.524 1.00 0.00 C ATOM 0 HA VAL A 75 -13.755 -7.101 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.487 -4.612 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.321 -3.410 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.480 -4.686 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.453 -4.950 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -13.334 -3.681 -7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.487 -5.230 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -14.255 -5.149 -8.075 1.00 0.00 H new ATOM 1180 N GLY A 76 -11.290 -7.111 -5.775 1.00 0.00 N ATOM 1181 CA GLY A 76 -10.063 -7.627 -5.132 1.00 0.00 C ATOM 1182 C GLY A 76 -9.117 -6.463 -4.906 1.00 0.00 C ATOM 1183 O GLY A 76 -9.532 -5.340 -4.703 1.00 0.00 O ATOM 0 H GLY A 76 -11.171 -6.753 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.305 -8.109 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.593 -8.381 -5.763 1.00 0.00 H new ATOM 1187 N VAL A 77 -7.852 -6.723 -4.947 1.00 0.00 N ATOM 1188 CA VAL A 77 -6.863 -5.638 -4.746 1.00 0.00 C ATOM 1189 C VAL A 77 -5.648 -5.909 -5.633 1.00 0.00 C ATOM 1190 O VAL A 77 -4.676 -6.516 -5.227 1.00 0.00 O ATOM 1191 CB VAL A 77 -6.481 -5.698 -3.264 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -5.773 -4.401 -2.873 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -7.737 -5.863 -2.395 1.00 0.00 C ATOM 0 H VAL A 77 -7.454 -7.647 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.254 -4.654 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.821 -6.551 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.499 -4.439 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.874 -4.281 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.440 -3.556 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.450 -5.904 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.404 -5.016 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.249 -6.786 -2.667 1.00 0.00 H new ATOM 1203 N SER A 78 -5.717 -5.455 -6.844 1.00 0.00 N ATOM 1204 CA SER A 78 -4.604 -5.646 -7.820 1.00 0.00 C ATOM 1205 C SER A 78 -3.293 -5.079 -7.268 1.00 0.00 C ATOM 1206 O SER A 78 -2.238 -5.657 -7.438 1.00 0.00 O ATOM 1207 CB SER A 78 -5.029 -4.905 -9.085 1.00 0.00 C ATOM 1208 OG SER A 78 -5.307 -5.849 -10.111 1.00 0.00 O ATOM 0 H SER A 78 -6.518 -4.944 -7.215 1.00 0.00 H new ATOM 0 HA SER A 78 -4.424 -6.702 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.912 -4.297 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.239 -4.225 -9.405 1.00 0.00 H new ATOM 0 HG SER A 78 -4.540 -5.908 -10.718 1.00 0.00 H new ATOM 1214 N VAL A 79 -3.342 -3.908 -6.697 1.00 0.00 N ATOM 1215 CA VAL A 79 -2.092 -3.234 -6.226 1.00 0.00 C ATOM 1216 C VAL A 79 -1.180 -4.160 -5.416 1.00 0.00 C ATOM 1217 O VAL A 79 -1.513 -5.287 -5.110 1.00 0.00 O ATOM 1218 CB VAL A 79 -2.632 -2.142 -5.294 1.00 0.00 C ATOM 1219 CG1 VAL A 79 -3.367 -2.786 -4.114 1.00 0.00 C ATOM 1220 CG2 VAL A 79 -1.491 -1.277 -4.755 1.00 0.00 C ATOM 0 H VAL A 79 -4.200 -3.382 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.489 -2.884 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.317 -1.514 -5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.749 -2.007 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.198 -3.386 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.678 -3.424 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.897 -0.509 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.793 -1.902 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.969 -0.803 -5.587 1.00 0.00 H new ATOM 1230 N LYS A 80 -0.009 -3.665 -5.090 1.00 0.00 N ATOM 1231 CA LYS A 80 0.986 -4.457 -4.326 1.00 0.00 C ATOM 1232 C LYS A 80 2.263 -3.617 -4.152 1.00 0.00 C ATOM 1233 O LYS A 80 2.366 -2.537 -4.699 1.00 0.00 O ATOM 1234 CB LYS A 80 1.268 -5.678 -5.218 1.00 0.00 C ATOM 1235 CG LYS A 80 1.613 -5.229 -6.647 1.00 0.00 C ATOM 1236 CD LYS A 80 3.072 -4.768 -6.708 1.00 0.00 C ATOM 1237 CE LYS A 80 3.674 -5.152 -8.061 1.00 0.00 C ATOM 1238 NZ LYS A 80 3.100 -4.174 -9.027 1.00 0.00 N ATOM 0 H LYS A 80 0.298 -2.723 -5.331 1.00 0.00 H new ATOM 0 HA LYS A 80 0.640 -4.746 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.093 -6.257 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.396 -6.332 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.452 -6.051 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.953 -4.417 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.129 -3.689 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.643 -5.227 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.762 -5.094 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.414 -6.175 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.635 -4.686 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.403 -3.574 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.861 -3.578 -9.411 1.00 0.00 H new ATOM 1252 N PRO A 81 3.210 -4.156 -3.432 1.00 0.00 N ATOM 1253 CA PRO A 81 4.506 -3.467 -3.233 1.00 0.00 C ATOM 1254 C PRO A 81 5.377 -3.634 -4.483 1.00 0.00 C ATOM 1255 O PRO A 81 5.810 -4.723 -4.806 1.00 0.00 O ATOM 1256 CB PRO A 81 5.124 -4.199 -2.047 1.00 0.00 C ATOM 1257 CG PRO A 81 4.501 -5.559 -2.062 1.00 0.00 C ATOM 1258 CD PRO A 81 3.151 -5.431 -2.726 1.00 0.00 C ATOM 0 HA PRO A 81 4.406 -2.396 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.208 -4.261 -2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.916 -3.680 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.131 -6.263 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.395 -5.944 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.967 -6.257 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.345 -5.441 -1.992 1.00 0.00 H new ATOM 1266 N GLY A 82 5.627 -2.568 -5.190 1.00 0.00 N ATOM 1267 CA GLY A 82 6.462 -2.663 -6.424 1.00 0.00 C ATOM 1268 C GLY A 82 7.943 -2.678 -6.046 1.00 0.00 C ATOM 1269 O GLY A 82 8.296 -2.754 -4.885 1.00 0.00 O ATOM 0 H GLY A 82 5.289 -1.632 -4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.209 -3.568 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.253 -1.819 -7.081 1.00 0.00 H new ATOM 1273 N GLU A 83 8.814 -2.607 -7.019 1.00 0.00 N ATOM 1274 CA GLU A 83 10.274 -2.620 -6.711 1.00 0.00 C ATOM 1275 C GLU A 83 10.726 -1.258 -6.193 1.00 0.00 C ATOM 1276 O GLU A 83 11.715 -1.158 -5.498 1.00 0.00 O ATOM 1277 CB GLU A 83 10.978 -2.939 -8.027 1.00 0.00 C ATOM 1278 CG GLU A 83 10.579 -1.917 -9.098 1.00 0.00 C ATOM 1279 CD GLU A 83 9.978 -2.643 -10.304 1.00 0.00 C ATOM 1280 OE1 GLU A 83 10.649 -3.506 -10.846 1.00 0.00 O ATOM 1281 OE2 GLU A 83 8.858 -2.322 -10.666 1.00 0.00 O ATOM 0 H GLU A 83 8.578 -2.541 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 83 10.508 -3.353 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.058 -2.924 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.714 -3.944 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.857 -1.211 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.450 -1.339 -9.406 1.00 0.00 H new ATOM 1288 N SER A 84 10.014 -0.207 -6.515 1.00 0.00 N ATOM 1289 CA SER A 84 10.420 1.142 -6.018 1.00 0.00 C ATOM 1290 C SER A 84 10.674 1.057 -4.513 1.00 0.00 C ATOM 1291 O SER A 84 11.594 1.654 -3.984 1.00 0.00 O ATOM 1292 CB SER A 84 9.236 2.060 -6.319 1.00 0.00 C ATOM 1293 OG SER A 84 9.542 2.866 -7.450 1.00 0.00 O ATOM 0 H SER A 84 9.176 -0.224 -7.096 1.00 0.00 H new ATOM 0 HA SER A 84 11.331 1.512 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.341 1.468 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.021 2.690 -5.456 1.00 0.00 H new ATOM 0 HG SER A 84 8.784 3.455 -7.647 1.00 0.00 H new ATOM 1299 N LEU A 85 9.875 0.283 -3.833 1.00 0.00 N ATOM 1300 CA LEU A 85 10.060 0.106 -2.367 1.00 0.00 C ATOM 1301 C LEU A 85 11.185 -0.892 -2.122 1.00 0.00 C ATOM 1302 O LEU A 85 11.942 -0.778 -1.178 1.00 0.00 O ATOM 1303 CB LEU A 85 8.731 -0.471 -1.870 1.00 0.00 C ATOM 1304 CG LEU A 85 8.180 0.353 -0.699 1.00 0.00 C ATOM 1305 CD1 LEU A 85 9.280 0.622 0.331 1.00 0.00 C ATOM 1306 CD2 LEU A 85 7.629 1.678 -1.220 1.00 0.00 C ATOM 0 H LEU A 85 9.096 -0.238 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 85 10.318 1.035 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.007 -0.481 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.873 -1.505 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 85 7.381 -0.211 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.872 1.208 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.660 -0.325 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.092 1.176 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.238 2.262 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.426 2.236 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.829 1.484 -1.934 1.00 0.00 H new ATOM 1318 N LYS A 86 11.294 -1.875 -2.972 1.00 0.00 N ATOM 1319 CA LYS A 86 12.363 -2.893 -2.799 1.00 0.00 C ATOM 1320 C LYS A 86 13.709 -2.301 -3.169 1.00 0.00 C ATOM 1321 O LYS A 86 14.730 -2.650 -2.609 1.00 0.00 O ATOM 1322 CB LYS A 86 11.999 -4.028 -3.755 1.00 0.00 C ATOM 1323 CG LYS A 86 11.974 -5.357 -3.001 1.00 0.00 C ATOM 1324 CD LYS A 86 11.849 -6.505 -4.007 1.00 0.00 C ATOM 1325 CE LYS A 86 10.889 -7.562 -3.460 1.00 0.00 C ATOM 1326 NZ LYS A 86 9.570 -7.238 -4.071 1.00 0.00 N ATOM 0 H LYS A 86 10.687 -2.016 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 86 12.436 -3.241 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.025 -3.837 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.723 -4.075 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.884 -5.472 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.137 -5.377 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.484 -6.127 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.827 -6.948 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.213 -8.567 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.840 -7.525 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.858 -7.921 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.284 -6.278 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.646 -7.288 -5.107 1.00 0.00 H new ATOM 1340 N LYS A 87 13.718 -1.391 -4.091 1.00 0.00 N ATOM 1341 CA LYS A 87 14.995 -0.761 -4.471 1.00 0.00 C ATOM 1342 C LYS A 87 15.415 0.125 -3.312 1.00 0.00 C ATOM 1343 O LYS A 87 16.566 0.150 -2.898 1.00 0.00 O ATOM 1344 CB LYS A 87 14.692 0.045 -5.737 1.00 0.00 C ATOM 1345 CG LYS A 87 15.929 0.849 -6.146 1.00 0.00 C ATOM 1346 CD LYS A 87 15.533 1.912 -7.172 1.00 0.00 C ATOM 1347 CE LYS A 87 16.418 3.148 -6.998 1.00 0.00 C ATOM 1348 NZ LYS A 87 15.492 4.308 -7.131 1.00 0.00 N ATOM 0 H LYS A 87 12.896 -1.058 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 87 15.805 -1.463 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.399 -0.625 -6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.852 0.717 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.374 1.322 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.684 0.185 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.640 1.515 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.485 2.182 -7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.911 3.146 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.203 3.181 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.027 5.193 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.042 4.287 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.760 4.254 -6.394 1.00 0.00 H new ATOM 1362 N ALA A 88 14.466 0.801 -2.729 1.00 0.00 N ATOM 1363 CA ALA A 88 14.796 1.624 -1.553 1.00 0.00 C ATOM 1364 C ALA A 88 15.208 0.668 -0.439 1.00 0.00 C ATOM 1365 O ALA A 88 16.100 0.938 0.340 1.00 0.00 O ATOM 1366 CB ALA A 88 13.501 2.355 -1.208 1.00 0.00 C ATOM 0 H ALA A 88 13.488 0.815 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 88 15.605 2.337 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.663 2.992 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.193 2.968 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.721 1.627 -0.984 1.00 0.00 H new ATOM 1372 N ALA A 89 14.581 -0.476 -0.387 1.00 0.00 N ATOM 1373 CA ALA A 89 14.952 -1.467 0.662 1.00 0.00 C ATOM 1374 C ALA A 89 16.423 -1.815 0.524 1.00 0.00 C ATOM 1375 O ALA A 89 17.153 -1.849 1.491 1.00 0.00 O ATOM 1376 CB ALA A 89 14.067 -2.687 0.413 1.00 0.00 C ATOM 0 H ALA A 89 13.835 -0.765 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 89 14.804 -1.085 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.290 -3.456 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.019 -2.399 0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.259 -3.078 -0.586 1.00 0.00 H new ATOM 1382 N GLU A 90 16.883 -2.024 -0.674 1.00 0.00 N ATOM 1383 CA GLU A 90 18.331 -2.307 -0.852 1.00 0.00 C ATOM 1384 C GLU A 90 19.103 -1.112 -0.272 1.00 0.00 C ATOM 1385 O GLU A 90 20.250 -1.214 0.114 1.00 0.00 O ATOM 1386 CB GLU A 90 18.533 -2.447 -2.373 1.00 0.00 C ATOM 1387 CG GLU A 90 19.538 -1.407 -2.886 1.00 0.00 C ATOM 1388 CD GLU A 90 19.798 -1.641 -4.375 1.00 0.00 C ATOM 1389 OE1 GLU A 90 19.822 -2.791 -4.779 1.00 0.00 O ATOM 1390 OE2 GLU A 90 19.968 -0.664 -5.086 1.00 0.00 O ATOM 0 H GLU A 90 16.327 -2.012 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 90 18.681 -3.208 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.890 -3.450 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.579 -2.321 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.150 -0.401 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 90 20.471 -1.480 -2.327 1.00 0.00 H new ATOM 1397 N GLY A 91 18.453 0.026 -0.229 1.00 0.00 N ATOM 1398 CA GLY A 91 19.097 1.259 0.299 1.00 0.00 C ATOM 1399 C GLY A 91 19.221 1.257 1.839 1.00 0.00 C ATOM 1400 O GLY A 91 20.206 1.744 2.359 1.00 0.00 O ATOM 0 H GLY A 91 17.490 0.149 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 91 20.089 1.362 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.518 2.128 -0.013 1.00 0.00 H new ATOM 1404 N LEU A 92 18.253 0.760 2.597 1.00 0.00 N ATOM 1405 CA LEU A 92 18.422 0.826 4.091 1.00 0.00 C ATOM 1406 C LEU A 92 19.706 0.125 4.537 1.00 0.00 C ATOM 1407 O LEU A 92 20.484 0.669 5.294 1.00 0.00 O ATOM 1408 CB LEU A 92 17.194 0.140 4.706 1.00 0.00 C ATOM 1409 CG LEU A 92 17.098 -1.308 4.232 1.00 0.00 C ATOM 1410 CD1 LEU A 92 17.575 -2.246 5.341 1.00 0.00 C ATOM 1411 CD2 LEU A 92 15.646 -1.632 3.882 1.00 0.00 C ATOM 0 H LEU A 92 17.391 0.330 2.260 1.00 0.00 H new ATOM 0 HA LEU A 92 18.501 1.862 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 92 17.260 0.169 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.290 0.681 4.427 1.00 0.00 H new ATOM 0 HG LEU A 92 17.726 -1.442 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.505 -3.279 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 92 18.611 -2.016 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.950 -2.113 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.575 -2.666 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.020 -1.496 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.306 -0.966 3.089 1.00 0.00 H new ATOM 1423 N LYS A 93 19.916 -1.074 4.073 1.00 0.00 N ATOM 1424 CA LYS A 93 21.131 -1.876 4.442 1.00 0.00 C ATOM 1425 C LYS A 93 20.815 -3.346 4.178 1.00 0.00 C ATOM 1426 O LYS A 93 21.062 -4.207 4.999 1.00 0.00 O ATOM 1427 CB LYS A 93 21.376 -1.653 5.943 1.00 0.00 C ATOM 1428 CG LYS A 93 22.583 -0.730 6.135 1.00 0.00 C ATOM 1429 CD LYS A 93 23.872 -1.552 6.091 1.00 0.00 C ATOM 1430 CE LYS A 93 25.064 -0.620 5.853 1.00 0.00 C ATOM 1431 NZ LYS A 93 25.197 -0.538 4.372 1.00 0.00 N ATOM 0 H LYS A 93 19.280 -1.551 3.434 1.00 0.00 H new ATOM 0 HA LYS A 93 22.011 -1.584 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.492 -1.213 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.553 -2.608 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.599 0.031 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.506 -0.208 7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 93 24.002 -2.094 7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.814 -2.296 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.890 0.364 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 93 25.971 -1.015 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 25.994 0.084 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.369 -1.488 3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 24.321 -0.153 3.966 1.00 0.00 H new ATOM 1445 N TYR A 94 20.240 -3.619 3.036 1.00 0.00 N ATOM 1446 CA TYR A 94 19.853 -5.016 2.666 1.00 0.00 C ATOM 1447 C TYR A 94 20.807 -6.056 3.244 1.00 0.00 C ATOM 1448 O TYR A 94 20.464 -6.797 4.138 1.00 0.00 O ATOM 1449 CB TYR A 94 19.931 -5.039 1.142 1.00 0.00 C ATOM 1450 CG TYR A 94 18.878 -5.960 0.582 1.00 0.00 C ATOM 1451 CD1 TYR A 94 17.526 -5.657 0.751 1.00 0.00 C ATOM 1452 CD2 TYR A 94 19.252 -7.106 -0.131 1.00 0.00 C ATOM 1453 CE1 TYR A 94 16.556 -6.488 0.203 1.00 0.00 C ATOM 1454 CE2 TYR A 94 18.278 -7.945 -0.669 1.00 0.00 C ATOM 1455 CZ TYR A 94 16.925 -7.632 -0.509 1.00 0.00 C ATOM 1456 OH TYR A 94 15.959 -8.450 -1.055 1.00 0.00 O ATOM 0 H TYR A 94 20.017 -2.919 2.329 1.00 0.00 H new ATOM 0 HA TYR A 94 18.867 -5.266 3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.791 -4.032 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.920 -5.370 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.234 -4.778 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.298 -7.340 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.511 -6.248 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.568 -8.835 -1.208 1.00 0.00 H new ATOM 0 HH TYR A 94 15.100 -8.280 -0.616 1.00 0.00 H new ATOM 1466 N GLU A 95 21.995 -6.131 2.720 1.00 0.00 N ATOM 1467 CA GLU A 95 22.970 -7.146 3.206 1.00 0.00 C ATOM 1468 C GLU A 95 23.010 -7.160 4.735 1.00 0.00 C ATOM 1469 O GLU A 95 23.148 -8.198 5.354 1.00 0.00 O ATOM 1470 CB GLU A 95 24.322 -6.725 2.634 1.00 0.00 C ATOM 1471 CG GLU A 95 24.247 -6.684 1.104 1.00 0.00 C ATOM 1472 CD GLU A 95 24.838 -5.367 0.595 1.00 0.00 C ATOM 1473 OE1 GLU A 95 25.867 -4.964 1.112 1.00 0.00 O ATOM 1474 OE2 GLU A 95 24.251 -4.786 -0.303 1.00 0.00 O ATOM 0 H GLU A 95 22.336 -5.529 1.971 1.00 0.00 H new ATOM 0 HA GLU A 95 22.698 -8.153 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 95 24.601 -5.745 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 95 25.095 -7.425 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 95 24.793 -7.527 0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.211 -6.779 0.778 1.00 0.00 H new ATOM 1547 N MET B 1 -4.862 7.511 -11.374 1.00 0.00 N ATOM 1548 CA MET B 1 -4.317 8.472 -10.370 1.00 0.00 C ATOM 1549 C MET B 1 -2.855 8.136 -10.060 1.00 0.00 C ATOM 1550 O MET B 1 -2.417 7.022 -10.272 1.00 0.00 O ATOM 1551 CB MET B 1 -5.182 8.279 -9.121 1.00 0.00 C ATOM 1552 CG MET B 1 -6.196 9.417 -9.008 1.00 0.00 C ATOM 1553 SD MET B 1 -7.456 8.979 -7.786 1.00 0.00 S ATOM 1554 CE MET B 1 -6.560 9.570 -6.330 1.00 0.00 C ATOM 0 H1 MET B 1 -5.849 7.285 -11.138 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.822 7.939 -12.321 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.295 6.639 -11.364 1.00 0.00 H new ATOM 0 HA MET B 1 -4.343 9.501 -10.729 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.701 7.322 -9.172 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.552 8.253 -8.232 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.694 10.339 -8.714 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.661 9.602 -9.976 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.274 8.721 -5.709 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.665 10.106 -6.646 1.00 0.00 H new ATOM 0 HE3 MET B 1 -7.200 10.240 -5.756 1.00 0.00 H new ATOM 1566 N ASN B 2 -2.092 9.076 -9.551 1.00 0.00 N ATOM 1567 CA ASN B 2 -0.666 8.766 -9.232 1.00 0.00 C ATOM 1568 C ASN B 2 0.012 9.904 -8.461 1.00 0.00 C ATOM 1569 O ASN B 2 -0.635 10.718 -7.832 1.00 0.00 O ATOM 1570 CB ASN B 2 0.010 8.551 -10.590 1.00 0.00 C ATOM 1571 CG ASN B 2 -0.072 9.834 -11.422 1.00 0.00 C ATOM 1572 OD1 ASN B 2 -0.702 10.795 -11.023 1.00 0.00 O ATOM 1573 ND2 ASN B 2 0.544 9.892 -12.570 1.00 0.00 N ATOM 0 H ASN B 2 -2.391 10.029 -9.346 1.00 0.00 H new ATOM 0 HA ASN B 2 -0.589 7.891 -8.587 1.00 0.00 H new ATOM 0 HB2 ASN B 2 1.052 8.267 -10.446 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -0.474 7.731 -11.121 1.00 0.00 H new ATOM 0 HD21 ASN B 2 0.497 10.742 -13.132 1.00 0.00 H new ATOM 0 HD22 ASN B 2 1.073 9.087 -12.906 1.00 0.00 H new ATOM 1580 N LYS B 3 1.325 9.953 -8.503 1.00 0.00 N ATOM 1581 CA LYS B 3 2.082 11.022 -7.773 1.00 0.00 C ATOM 1582 C LYS B 3 1.508 12.416 -8.084 1.00 0.00 C ATOM 1583 O LYS B 3 1.832 13.382 -7.423 1.00 0.00 O ATOM 1584 CB LYS B 3 3.529 10.907 -8.279 1.00 0.00 C ATOM 1585 CG LYS B 3 4.515 11.000 -7.099 1.00 0.00 C ATOM 1586 CD LYS B 3 5.526 9.842 -7.171 1.00 0.00 C ATOM 1587 CE LYS B 3 6.773 10.159 -6.320 1.00 0.00 C ATOM 1588 NZ LYS B 3 7.484 11.237 -7.064 1.00 0.00 N ATOM 0 H LYS B 3 1.908 9.292 -9.016 1.00 0.00 H new ATOM 0 HA LYS B 3 2.014 10.897 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.665 9.960 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.735 11.700 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.040 11.955 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS B 3 3.971 10.962 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.060 8.923 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.819 9.671 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.494 10.488 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.404 9.278 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 8.374 10.863 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 6.883 11.576 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 7.692 12.026 -6.418 1.00 0.00 H new ATOM 1602 N THR B 4 0.659 12.531 -9.078 1.00 0.00 N ATOM 1603 CA THR B 4 0.070 13.864 -9.412 1.00 0.00 C ATOM 1604 C THR B 4 -1.442 13.858 -9.143 1.00 0.00 C ATOM 1605 O THR B 4 -1.963 14.641 -8.359 1.00 0.00 O ATOM 1606 CB THR B 4 0.349 14.059 -10.906 1.00 0.00 C ATOM 1607 OG1 THR B 4 1.740 14.270 -11.100 1.00 0.00 O ATOM 1608 CG2 THR B 4 -0.430 15.271 -11.427 1.00 0.00 C ATOM 0 H THR B 4 0.350 11.760 -9.670 1.00 0.00 H new ATOM 0 HA THR B 4 0.497 14.666 -8.810 1.00 0.00 H new ATOM 0 HB THR B 4 0.033 13.170 -11.451 1.00 0.00 H new ATOM 0 HG1 THR B 4 1.922 14.393 -12.055 1.00 0.00 H new ATOM 0 HG21 THR B 4 -0.227 15.404 -12.490 1.00 0.00 H new ATOM 0 HG22 THR B 4 -1.498 15.109 -11.279 1.00 0.00 H new ATOM 0 HG23 THR B 4 -0.120 16.164 -10.884 1.00 0.00 H new ATOM 1616 N GLU B 5 -2.152 12.979 -9.784 1.00 0.00 N ATOM 1617 CA GLU B 5 -3.622 12.921 -9.568 1.00 0.00 C ATOM 1618 C GLU B 5 -3.909 12.898 -8.071 1.00 0.00 C ATOM 1619 O GLU B 5 -4.739 13.633 -7.571 1.00 0.00 O ATOM 1620 CB GLU B 5 -4.075 11.629 -10.233 1.00 0.00 C ATOM 1621 CG GLU B 5 -5.420 11.854 -10.927 1.00 0.00 C ATOM 1622 CD GLU B 5 -5.210 12.675 -12.202 1.00 0.00 C ATOM 1623 OE1 GLU B 5 -4.270 13.453 -12.235 1.00 0.00 O ATOM 1624 OE2 GLU B 5 -5.992 12.512 -13.123 1.00 0.00 O ATOM 0 H GLU B 5 -1.781 12.299 -10.447 1.00 0.00 H new ATOM 0 HA GLU B 5 -4.146 13.781 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.330 11.301 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.166 10.838 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.879 10.896 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.104 12.374 -10.256 1.00 0.00 H new ATOM 1631 N LEU B 6 -3.204 12.073 -7.349 1.00 0.00 N ATOM 1632 CA LEU B 6 -3.418 12.028 -5.878 1.00 0.00 C ATOM 1633 C LEU B 6 -3.154 13.416 -5.270 1.00 0.00 C ATOM 1634 O LEU B 6 -3.784 13.804 -4.299 1.00 0.00 O ATOM 1635 CB LEU B 6 -2.424 10.993 -5.352 1.00 0.00 C ATOM 1636 CG LEU B 6 -2.959 9.587 -5.633 1.00 0.00 C ATOM 1637 CD1 LEU B 6 -1.786 8.617 -5.791 1.00 0.00 C ATOM 1638 CD2 LEU B 6 -3.842 9.136 -4.465 1.00 0.00 C ATOM 0 H LEU B 6 -2.496 11.434 -7.710 1.00 0.00 H new ATOM 0 HA LEU B 6 -4.440 11.758 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.454 11.128 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.272 11.129 -4.281 1.00 0.00 H new ATOM 0 HG LEU B 6 -3.547 9.597 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -2.167 7.615 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.157 8.939 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -1.198 8.605 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -4.224 8.135 -4.663 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -3.254 9.125 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -4.677 9.827 -4.352 1.00 0.00 H new ATOM 1650 N ILE B 7 -2.252 14.192 -5.843 1.00 0.00 N ATOM 1651 CA ILE B 7 -2.017 15.556 -5.274 1.00 0.00 C ATOM 1652 C ILE B 7 -3.339 16.295 -5.327 1.00 0.00 C ATOM 1653 O ILE B 7 -3.739 16.944 -4.385 1.00 0.00 O ATOM 1654 CB ILE B 7 -0.922 16.266 -6.112 1.00 0.00 C ATOM 1655 CG1 ILE B 7 -1.507 16.944 -7.363 1.00 0.00 C ATOM 1656 CG2 ILE B 7 0.173 15.281 -6.529 1.00 0.00 C ATOM 1657 CD1 ILE B 7 -1.944 18.367 -7.013 1.00 0.00 C ATOM 0 H ILE B 7 -1.687 13.945 -6.655 1.00 0.00 H new ATOM 0 HA ILE B 7 -1.668 15.519 -4.242 1.00 0.00 H new ATOM 0 HB ILE B 7 -0.489 17.037 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE B 7 -0.763 16.966 -8.159 1.00 0.00 H new ATOM 0 HG13 ILE B 7 -2.357 16.372 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE B 7 0.929 15.804 -7.115 1.00 0.00 H new ATOM 0 HG22 ILE B 7 0.636 14.853 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.265 14.483 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE B 7 -2.359 18.848 -7.899 1.00 0.00 H new ATOM 0 HD12 ILE B 7 -2.702 18.333 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -1.083 18.936 -6.660 1.00 0.00 H new ATOM 1669 N LYS B 8 -4.048 16.146 -6.411 1.00 0.00 N ATOM 1670 CA LYS B 8 -5.383 16.791 -6.511 1.00 0.00 C ATOM 1671 C LYS B 8 -6.280 16.178 -5.444 1.00 0.00 C ATOM 1672 O LYS B 8 -7.107 16.841 -4.850 1.00 0.00 O ATOM 1673 CB LYS B 8 -5.923 16.459 -7.902 1.00 0.00 C ATOM 1674 CG LYS B 8 -4.900 16.826 -8.982 1.00 0.00 C ATOM 1675 CD LYS B 8 -5.534 16.656 -10.368 1.00 0.00 C ATOM 1676 CE LYS B 8 -6.256 15.304 -10.452 1.00 0.00 C ATOM 1677 NZ LYS B 8 -6.775 15.229 -11.846 1.00 0.00 N ATOM 0 H LYS B 8 -3.761 15.607 -7.228 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.338 17.870 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -6.158 15.396 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.853 17.001 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -4.566 17.855 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -4.019 16.191 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -6.238 17.466 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -4.765 16.716 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -5.575 14.479 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -7.066 15.244 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.311 14.346 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -7.399 16.041 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -5.978 15.247 -12.514 1.00 0.00 H new ATOM 1691 N ALA B 9 -6.105 14.904 -5.185 1.00 0.00 N ATOM 1692 CA ALA B 9 -6.930 14.238 -4.140 1.00 0.00 C ATOM 1693 C ALA B 9 -6.818 15.022 -2.838 1.00 0.00 C ATOM 1694 O ALA B 9 -7.790 15.218 -2.138 1.00 0.00 O ATOM 1695 CB ALA B 9 -6.326 12.849 -3.976 1.00 0.00 C ATOM 0 H ALA B 9 -5.427 14.302 -5.653 1.00 0.00 H new ATOM 0 HA ALA B 9 -7.985 14.186 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -6.883 12.297 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -6.377 12.316 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -5.285 12.939 -3.666 1.00 0.00 H new ATOM 1701 N ILE B 10 -5.642 15.501 -2.525 1.00 0.00 N ATOM 1702 CA ILE B 10 -5.480 16.300 -1.297 1.00 0.00 C ATOM 1703 C ILE B 10 -5.710 17.755 -1.672 1.00 0.00 C ATOM 1704 O ILE B 10 -6.234 18.538 -0.916 1.00 0.00 O ATOM 1705 CB ILE B 10 -4.030 16.038 -0.852 1.00 0.00 C ATOM 1706 CG1 ILE B 10 -3.996 14.868 0.134 1.00 0.00 C ATOM 1707 CG2 ILE B 10 -3.432 17.281 -0.183 1.00 0.00 C ATOM 1708 CD1 ILE B 10 -4.529 13.604 -0.545 1.00 0.00 C ATOM 0 H ILE B 10 -4.792 15.368 -3.074 1.00 0.00 H new ATOM 0 HA ILE B 10 -6.172 16.051 -0.493 1.00 0.00 H new ATOM 0 HB ILE B 10 -3.439 15.796 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -2.976 14.703 0.482 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -4.598 15.102 1.012 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -2.407 17.072 0.123 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.438 18.112 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -4.026 17.544 0.693 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -4.503 12.773 0.160 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -5.556 13.771 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -3.908 13.366 -1.409 1.00 0.00 H new ATOM 1720 N ALA B 11 -5.358 18.118 -2.862 1.00 0.00 N ATOM 1721 CA ALA B 11 -5.597 19.515 -3.279 1.00 0.00 C ATOM 1722 C ALA B 11 -7.111 19.766 -3.303 1.00 0.00 C ATOM 1723 O ALA B 11 -7.565 20.893 -3.314 1.00 0.00 O ATOM 1724 CB ALA B 11 -4.983 19.608 -4.675 1.00 0.00 C ATOM 0 H ALA B 11 -4.919 17.516 -3.559 1.00 0.00 H new ATOM 0 HA ALA B 11 -5.161 20.259 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.115 20.618 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -3.919 19.377 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.476 18.896 -5.337 1.00 0.00 H new ATOM 1730 N GLN B 12 -7.893 18.711 -3.289 1.00 0.00 N ATOM 1731 CA GLN B 12 -9.373 18.870 -3.285 1.00 0.00 C ATOM 1732 C GLN B 12 -9.934 18.413 -1.938 1.00 0.00 C ATOM 1733 O GLN B 12 -10.755 19.085 -1.344 1.00 0.00 O ATOM 1734 CB GLN B 12 -9.883 17.984 -4.423 1.00 0.00 C ATOM 1735 CG GLN B 12 -9.272 18.443 -5.749 1.00 0.00 C ATOM 1736 CD GLN B 12 -10.364 19.034 -6.643 1.00 0.00 C ATOM 1737 OE1 GLN B 12 -10.978 20.025 -6.297 1.00 0.00 O ATOM 1738 NE2 GLN B 12 -10.634 18.465 -7.786 1.00 0.00 N ATOM 0 H GLN B 12 -7.563 17.746 -3.280 1.00 0.00 H new ATOM 0 HA GLN B 12 -9.682 19.906 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -9.621 16.943 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -10.971 18.034 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -8.497 19.187 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.794 17.602 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -10.119 17.634 -8.076 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -11.360 18.852 -8.389 1.00 0.00 H new ATOM 1747 N ASP B 13 -9.463 17.305 -1.417 1.00 0.00 N ATOM 1748 CA ASP B 13 -9.948 16.869 -0.075 1.00 0.00 C ATOM 1749 C ASP B 13 -9.383 17.856 0.935 1.00 0.00 C ATOM 1750 O ASP B 13 -9.911 18.071 2.008 1.00 0.00 O ATOM 1751 CB ASP B 13 -9.355 15.480 0.153 1.00 0.00 C ATOM 1752 CG ASP B 13 -10.027 14.473 -0.783 1.00 0.00 C ATOM 1753 OD1 ASP B 13 -10.308 14.841 -1.913 1.00 0.00 O ATOM 1754 OD2 ASP B 13 -10.248 13.352 -0.355 1.00 0.00 O ATOM 0 H ASP B 13 -8.775 16.694 -1.857 1.00 0.00 H new ATOM 0 HA ASP B 13 -11.034 16.837 0.011 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -8.280 15.499 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -9.498 15.179 1.191 1.00 0.00 H new ATOM 1759 N THR B 14 -8.299 18.462 0.551 1.00 0.00 N ATOM 1760 CA THR B 14 -7.622 19.462 1.392 1.00 0.00 C ATOM 1761 C THR B 14 -7.703 20.815 0.669 1.00 0.00 C ATOM 1762 O THR B 14 -8.580 21.612 0.939 1.00 0.00 O ATOM 1763 CB THR B 14 -6.192 18.930 1.498 1.00 0.00 C ATOM 1764 OG1 THR B 14 -6.134 17.608 0.981 1.00 0.00 O ATOM 1765 CG2 THR B 14 -5.785 18.883 2.946 1.00 0.00 C ATOM 0 H THR B 14 -7.844 18.293 -0.346 1.00 0.00 H new ATOM 0 HA THR B 14 -8.052 19.611 2.382 1.00 0.00 H new ATOM 0 HB THR B 14 -5.527 19.584 0.934 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.829 16.995 1.683 1.00 0.00 H new ATOM 0 HG21 THR B 14 -4.766 18.504 3.025 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.833 19.886 3.370 1.00 0.00 H new ATOM 0 HG23 THR B 14 -6.460 18.225 3.493 1.00 0.00 H new ATOM 1773 N GLY B 15 -6.819 21.074 -0.265 1.00 0.00 N ATOM 1774 CA GLY B 15 -6.871 22.366 -1.025 1.00 0.00 C ATOM 1775 C GLY B 15 -6.548 23.542 -0.103 1.00 0.00 C ATOM 1776 O GLY B 15 -6.159 24.602 -0.551 1.00 0.00 O ATOM 0 H GLY B 15 -6.062 20.446 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -6.160 22.338 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -7.861 22.499 -1.461 1.00 0.00 H new ATOM 1780 N LEU B 16 -6.720 23.353 1.178 1.00 0.00 N ATOM 1781 CA LEU B 16 -6.437 24.449 2.183 1.00 0.00 C ATOM 1782 C LEU B 16 -5.376 25.406 1.654 1.00 0.00 C ATOM 1783 O LEU B 16 -5.565 26.605 1.592 1.00 0.00 O ATOM 1784 CB LEU B 16 -5.901 23.807 3.482 1.00 0.00 C ATOM 1785 CG LEU B 16 -5.891 22.292 3.393 1.00 0.00 C ATOM 1786 CD1 LEU B 16 -4.851 21.849 2.359 1.00 0.00 C ATOM 1787 CD2 LEU B 16 -5.526 21.702 4.764 1.00 0.00 C ATOM 0 H LEU B 16 -7.048 22.478 1.587 1.00 0.00 H new ATOM 0 HA LEU B 16 -7.359 25.000 2.366 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -4.891 24.167 3.677 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.519 24.119 4.324 1.00 0.00 H new ATOM 0 HG LEU B 16 -6.878 21.939 3.094 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -4.843 20.761 2.294 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -5.104 22.269 1.385 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -3.865 22.202 2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -5.518 20.614 4.701 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -4.538 22.055 5.061 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -6.262 22.018 5.504 1.00 0.00 H new ATOM 1799 N THR B 17 -4.257 24.865 1.284 1.00 0.00 N ATOM 1800 CA THR B 17 -3.147 25.694 0.765 1.00 0.00 C ATOM 1801 C THR B 17 -2.492 25.001 -0.429 1.00 0.00 C ATOM 1802 O THR B 17 -1.559 25.518 -1.015 1.00 0.00 O ATOM 1803 CB THR B 17 -2.165 25.789 1.944 1.00 0.00 C ATOM 1804 OG1 THR B 17 -1.629 27.103 2.010 1.00 0.00 O ATOM 1805 CG2 THR B 17 -1.028 24.781 1.771 1.00 0.00 C ATOM 0 H THR B 17 -4.062 23.864 1.320 1.00 0.00 H new ATOM 0 HA THR B 17 -3.474 26.675 0.419 1.00 0.00 H new ATOM 0 HB THR B 17 -2.699 25.563 2.867 1.00 0.00 H new ATOM 0 HG1 THR B 17 -1.004 27.164 2.763 1.00 0.00 H new ATOM 0 HG21 THR B 17 -0.341 24.860 2.613 1.00 0.00 H new ATOM 0 HG22 THR B 17 -1.439 23.772 1.731 1.00 0.00 H new ATOM 0 HG23 THR B 17 -0.493 24.992 0.845 1.00 0.00 H new ATOM 1813 N GLN B 18 -2.929 23.811 -0.766 1.00 0.00 N ATOM 1814 CA GLN B 18 -2.267 23.078 -1.880 1.00 0.00 C ATOM 1815 C GLN B 18 -0.799 22.964 -1.516 1.00 0.00 C ATOM 1816 O GLN B 18 0.075 23.037 -2.355 1.00 0.00 O ATOM 1817 CB GLN B 18 -2.468 23.930 -3.138 1.00 0.00 C ATOM 1818 CG GLN B 18 -3.898 24.468 -3.166 1.00 0.00 C ATOM 1819 CD GLN B 18 -4.244 24.934 -4.582 1.00 0.00 C ATOM 1820 OE1 GLN B 18 -4.037 26.081 -4.924 1.00 0.00 O ATOM 1821 NE2 GLN B 18 -4.764 24.085 -5.426 1.00 0.00 N ATOM 0 H GLN B 18 -3.707 23.324 -0.321 1.00 0.00 H new ATOM 0 HA GLN B 18 -2.669 22.080 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -1.757 24.756 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -2.275 23.333 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.595 23.693 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.999 25.296 -2.465 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -4.938 23.122 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -4.997 24.385 -6.373 1.00 0.00 H new ATOM 1830 N VAL B 19 -0.552 22.810 -0.233 1.00 0.00 N ATOM 1831 CA VAL B 19 0.839 22.706 0.308 1.00 0.00 C ATOM 1832 C VAL B 19 1.815 22.299 -0.797 1.00 0.00 C ATOM 1833 O VAL B 19 2.292 23.120 -1.558 1.00 0.00 O ATOM 1834 CB VAL B 19 0.750 21.648 1.449 1.00 0.00 C ATOM 1835 CG1 VAL B 19 -0.072 20.426 1.010 1.00 0.00 C ATOM 1836 CG2 VAL B 19 2.150 21.172 1.863 1.00 0.00 C ATOM 0 H VAL B 19 -1.280 22.751 0.479 1.00 0.00 H new ATOM 0 HA VAL B 19 1.217 23.655 0.689 1.00 0.00 H new ATOM 0 HB VAL B 19 0.259 22.130 2.295 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.117 19.705 1.826 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -1.082 20.742 0.749 1.00 0.00 H new ATOM 0 HG13 VAL B 19 0.399 19.963 0.143 1.00 0.00 H new ATOM 0 HG21 VAL B 19 2.062 20.434 2.661 1.00 0.00 H new ATOM 0 HG22 VAL B 19 2.650 20.722 1.005 1.00 0.00 H new ATOM 0 HG23 VAL B 19 2.733 22.022 2.218 1.00 0.00 H new ATOM 1846 N SER B 20 2.088 21.050 -0.901 1.00 0.00 N ATOM 1847 CA SER B 20 2.978 20.541 -1.935 1.00 0.00 C ATOM 1848 C SER B 20 2.290 19.343 -2.537 1.00 0.00 C ATOM 1849 O SER B 20 2.939 18.461 -3.033 1.00 0.00 O ATOM 1850 CB SER B 20 4.245 20.141 -1.204 1.00 0.00 C ATOM 1851 OG SER B 20 5.259 21.120 -1.414 1.00 0.00 O ATOM 0 H SER B 20 1.711 20.333 -0.281 1.00 0.00 H new ATOM 0 HA SER B 20 3.211 21.251 -2.729 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.042 20.038 -0.138 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.588 19.169 -1.558 1.00 0.00 H new ATOM 0 HG SER B 20 6.114 20.783 -1.075 1.00 0.00 H new ATOM 1857 N VAL B 21 0.976 19.274 -2.441 1.00 0.00 N ATOM 1858 CA VAL B 21 0.219 18.101 -2.972 1.00 0.00 C ATOM 1859 C VAL B 21 1.078 17.352 -3.971 1.00 0.00 C ATOM 1860 O VAL B 21 1.138 16.138 -3.997 1.00 0.00 O ATOM 1861 CB VAL B 21 -1.011 18.706 -3.651 1.00 0.00 C ATOM 1862 CG1 VAL B 21 -1.892 19.382 -2.599 1.00 0.00 C ATOM 1863 CG2 VAL B 21 -0.581 19.744 -4.693 1.00 0.00 C ATOM 0 H VAL B 21 0.395 19.994 -2.010 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.061 17.388 -2.196 1.00 0.00 H new ATOM 0 HB VAL B 21 -1.569 17.912 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -2.769 19.814 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -2.210 18.644 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -1.326 20.170 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -1.464 20.168 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -0.016 20.538 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.044 19.265 -5.447 1.00 0.00 H new ATOM 1873 N SER B 22 1.786 18.102 -4.750 1.00 0.00 N ATOM 1874 CA SER B 22 2.704 17.495 -5.756 1.00 0.00 C ATOM 1875 C SER B 22 4.045 17.155 -5.103 1.00 0.00 C ATOM 1876 O SER B 22 4.646 16.138 -5.386 1.00 0.00 O ATOM 1877 CB SER B 22 2.883 18.566 -6.831 1.00 0.00 C ATOM 1878 OG SER B 22 3.898 18.154 -7.738 1.00 0.00 O ATOM 0 H SER B 22 1.774 19.122 -4.739 1.00 0.00 H new ATOM 0 HA SER B 22 2.309 16.568 -6.172 1.00 0.00 H new ATOM 0 HB2 SER B 22 1.945 18.724 -7.364 1.00 0.00 H new ATOM 0 HB3 SER B 22 3.153 19.517 -6.372 1.00 0.00 H new ATOM 0 HG SER B 22 4.015 18.838 -8.430 1.00 0.00 H new ATOM 1884 N LYS B 23 4.515 18.002 -4.226 1.00 0.00 N ATOM 1885 CA LYS B 23 5.805 17.743 -3.547 1.00 0.00 C ATOM 1886 C LYS B 23 5.617 16.844 -2.320 1.00 0.00 C ATOM 1887 O LYS B 23 6.485 16.056 -2.001 1.00 0.00 O ATOM 1888 CB LYS B 23 6.312 19.124 -3.150 1.00 0.00 C ATOM 1889 CG LYS B 23 7.340 19.604 -4.173 1.00 0.00 C ATOM 1890 CD LYS B 23 6.852 20.895 -4.843 1.00 0.00 C ATOM 1891 CE LYS B 23 6.455 21.919 -3.774 1.00 0.00 C ATOM 1892 NZ LYS B 23 7.013 23.214 -4.254 1.00 0.00 N ATOM 0 H LYS B 23 4.051 18.868 -3.953 1.00 0.00 H new ATOM 0 HA LYS B 23 6.510 17.216 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS B 23 5.481 19.827 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS B 23 6.761 19.087 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS B 23 8.298 19.779 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS B 23 7.503 18.833 -4.926 1.00 0.00 H new ATOM 0 HD2 LYS B 23 7.637 21.305 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS B 23 6.000 20.681 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS B 23 5.372 21.973 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS B 23 6.863 21.651 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 6.782 23.965 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 8.046 23.135 -4.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 6.601 23.447 -5.180 1.00 0.00 H new ATOM 1906 N MET B 24 4.499 16.919 -1.632 1.00 0.00 N ATOM 1907 CA MET B 24 4.334 16.010 -0.456 1.00 0.00 C ATOM 1908 C MET B 24 4.047 14.602 -0.970 1.00 0.00 C ATOM 1909 O MET B 24 4.596 13.644 -0.467 1.00 0.00 O ATOM 1910 CB MET B 24 3.193 16.512 0.460 1.00 0.00 C ATOM 1911 CG MET B 24 2.268 17.506 -0.236 1.00 0.00 C ATOM 1912 SD MET B 24 0.570 17.081 0.175 1.00 0.00 S ATOM 1913 CE MET B 24 0.568 15.599 -0.852 1.00 0.00 C ATOM 0 H MET B 24 3.720 17.548 -1.826 1.00 0.00 H new ATOM 0 HA MET B 24 5.247 15.999 0.139 1.00 0.00 H new ATOM 0 HB2 MET B 24 2.608 15.659 0.805 1.00 0.00 H new ATOM 0 HB3 MET B 24 3.624 16.982 1.344 1.00 0.00 H new ATOM 0 HG2 MET B 24 2.493 18.523 0.085 1.00 0.00 H new ATOM 0 HG3 MET B 24 2.417 17.472 -1.315 1.00 0.00 H new ATOM 0 HE1 MET B 24 -0.444 15.404 -1.207 1.00 0.00 H new ATOM 0 HE2 MET B 24 1.230 15.747 -1.705 1.00 0.00 H new ATOM 0 HE3 MET B 24 0.916 14.749 -0.265 1.00 0.00 H new ATOM 1923 N LEU B 25 3.232 14.448 -1.992 1.00 0.00 N ATOM 1924 CA LEU B 25 3.007 13.072 -2.515 1.00 0.00 C ATOM 1925 C LEU B 25 4.296 12.602 -3.172 1.00 0.00 C ATOM 1926 O LEU B 25 4.750 11.496 -2.957 1.00 0.00 O ATOM 1927 CB LEU B 25 1.891 13.179 -3.539 1.00 0.00 C ATOM 1928 CG LEU B 25 0.558 12.925 -2.846 1.00 0.00 C ATOM 1929 CD1 LEU B 25 -0.577 13.213 -3.817 1.00 0.00 C ATOM 1930 CD2 LEU B 25 0.486 11.465 -2.394 1.00 0.00 C ATOM 0 H LEU B 25 2.729 15.196 -2.470 1.00 0.00 H new ATOM 0 HA LEU B 25 2.734 12.363 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.895 14.168 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU B 25 2.043 12.455 -4.340 1.00 0.00 H new ATOM 0 HG LEU B 25 0.469 13.577 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.532 13.032 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -0.526 14.253 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.487 12.560 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -0.468 11.284 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.574 10.811 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.301 11.258 -1.700 1.00 0.00 H new ATOM 1942 N ALA B 26 4.911 13.457 -3.948 1.00 0.00 N ATOM 1943 CA ALA B 26 6.198 13.076 -4.586 1.00 0.00 C ATOM 1944 C ALA B 26 7.177 12.689 -3.482 1.00 0.00 C ATOM 1945 O ALA B 26 7.985 11.792 -3.626 1.00 0.00 O ATOM 1946 CB ALA B 26 6.675 14.329 -5.322 1.00 0.00 C ATOM 0 H ALA B 26 4.577 14.396 -4.164 1.00 0.00 H new ATOM 0 HA ALA B 26 6.108 12.235 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA B 26 7.623 14.121 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA B 26 5.933 14.619 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA B 26 6.810 15.141 -4.608 1.00 0.00 H new ATOM 1952 N SER B 27 7.077 13.353 -2.359 1.00 0.00 N ATOM 1953 CA SER B 27 7.967 13.024 -1.217 1.00 0.00 C ATOM 1954 C SER B 27 7.365 11.854 -0.438 1.00 0.00 C ATOM 1955 O SER B 27 8.068 11.096 0.188 1.00 0.00 O ATOM 1956 CB SER B 27 8.012 14.285 -0.354 1.00 0.00 C ATOM 1957 OG SER B 27 6.783 14.421 0.345 1.00 0.00 O ATOM 0 H SER B 27 6.415 14.110 -2.188 1.00 0.00 H new ATOM 0 HA SER B 27 8.968 12.732 -1.534 1.00 0.00 H new ATOM 0 HB2 SER B 27 8.840 14.227 0.352 1.00 0.00 H new ATOM 0 HB3 SER B 27 8.187 15.161 -0.979 1.00 0.00 H new ATOM 0 HG SER B 27 6.079 13.937 -0.134 1.00 0.00 H new ATOM 1963 N PHE B 28 6.064 11.698 -0.494 1.00 0.00 N ATOM 1964 CA PHE B 28 5.402 10.565 0.222 1.00 0.00 C ATOM 1965 C PHE B 28 5.908 9.254 -0.359 1.00 0.00 C ATOM 1966 O PHE B 28 6.260 8.343 0.348 1.00 0.00 O ATOM 1967 CB PHE B 28 3.908 10.745 -0.050 1.00 0.00 C ATOM 1968 CG PHE B 28 3.213 9.405 -0.203 1.00 0.00 C ATOM 1969 CD1 PHE B 28 2.817 8.683 0.930 1.00 0.00 C ATOM 1970 CD2 PHE B 28 2.933 8.900 -1.479 1.00 0.00 C ATOM 1971 CE1 PHE B 28 2.148 7.468 0.787 1.00 0.00 C ATOM 1972 CE2 PHE B 28 2.255 7.690 -1.619 1.00 0.00 C ATOM 1973 CZ PHE B 28 1.862 6.971 -0.485 1.00 0.00 C ATOM 0 H PHE B 28 5.430 12.310 -1.008 1.00 0.00 H new ATOM 0 HA PHE B 28 5.609 10.551 1.292 1.00 0.00 H new ATOM 0 HB2 PHE B 28 3.452 11.303 0.767 1.00 0.00 H new ATOM 0 HB3 PHE B 28 3.769 11.335 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE B 28 3.030 9.068 1.916 1.00 0.00 H new ATOM 0 HD2 PHE B 28 3.243 9.449 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE B 28 1.851 6.910 1.663 1.00 0.00 H new ATOM 0 HE2 PHE B 28 2.033 7.307 -2.604 1.00 0.00 H new ATOM 0 HZ PHE B 28 1.338 6.033 -0.594 1.00 0.00 H new ATOM 1983 N GLU B 29 5.982 9.171 -1.643 1.00 0.00 N ATOM 1984 CA GLU B 29 6.507 7.946 -2.265 1.00 0.00 C ATOM 1985 C GLU B 29 7.999 7.952 -2.064 1.00 0.00 C ATOM 1986 O GLU B 29 8.630 6.934 -1.867 1.00 0.00 O ATOM 1987 CB GLU B 29 6.116 8.081 -3.718 1.00 0.00 C ATOM 1988 CG GLU B 29 4.702 7.551 -3.845 1.00 0.00 C ATOM 1989 CD GLU B 29 3.856 8.511 -4.684 1.00 0.00 C ATOM 1990 OE1 GLU B 29 3.910 9.699 -4.420 1.00 0.00 O ATOM 1991 OE2 GLU B 29 3.171 8.041 -5.576 1.00 0.00 O ATOM 0 H GLU B 29 5.699 9.904 -2.293 1.00 0.00 H new ATOM 0 HA GLU B 29 6.128 7.010 -1.855 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.168 9.122 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.798 7.518 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU B 29 4.715 6.565 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU B 29 4.259 7.432 -2.856 1.00 0.00 H new ATOM 1998 N LYS B 30 8.553 9.124 -2.054 1.00 0.00 N ATOM 1999 CA LYS B 30 9.998 9.246 -1.797 1.00 0.00 C ATOM 2000 C LYS B 30 10.253 8.878 -0.340 1.00 0.00 C ATOM 2001 O LYS B 30 11.299 8.412 -0.008 1.00 0.00 O ATOM 2002 CB LYS B 30 10.351 10.708 -2.048 1.00 0.00 C ATOM 2003 CG LYS B 30 11.872 10.861 -2.043 1.00 0.00 C ATOM 2004 CD LYS B 30 12.247 12.256 -2.547 1.00 0.00 C ATOM 2005 CE LYS B 30 12.417 13.202 -1.357 1.00 0.00 C ATOM 2006 NZ LYS B 30 13.808 12.970 -0.879 1.00 0.00 N ATOM 0 H LYS B 30 8.062 10.004 -2.214 1.00 0.00 H new ATOM 0 HA LYS B 30 10.597 8.593 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS B 30 9.943 11.035 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS B 30 9.907 11.340 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS B 30 12.260 10.710 -1.036 1.00 0.00 H new ATOM 0 HG3 LYS B 30 12.327 10.100 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS B 30 13.171 12.210 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS B 30 11.473 12.632 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS B 30 12.269 14.240 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS B 30 11.689 12.987 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 13.846 13.094 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 14.102 12.002 -1.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 14.449 13.651 -1.333 1.00 0.00 H new ATOM 2020 N ILE B 31 9.285 9.061 0.529 1.00 0.00 N ATOM 2021 CA ILE B 31 9.489 8.690 1.963 1.00 0.00 C ATOM 2022 C ILE B 31 8.898 7.312 2.213 1.00 0.00 C ATOM 2023 O ILE B 31 9.380 6.558 3.023 1.00 0.00 O ATOM 2024 CB ILE B 31 8.778 9.741 2.807 1.00 0.00 C ATOM 2025 CG1 ILE B 31 7.332 9.897 2.379 1.00 0.00 C ATOM 2026 CG2 ILE B 31 9.507 11.077 2.686 1.00 0.00 C ATOM 2027 CD1 ILE B 31 6.431 9.154 3.366 1.00 0.00 C ATOM 0 H ILE B 31 8.368 9.449 0.307 1.00 0.00 H new ATOM 0 HA ILE B 31 10.548 8.657 2.220 1.00 0.00 H new ATOM 0 HB ILE B 31 8.789 9.414 3.847 1.00 0.00 H new ATOM 0 HG12 ILE B 31 7.062 10.953 2.346 1.00 0.00 H new ATOM 0 HG13 ILE B 31 7.194 9.501 1.373 1.00 0.00 H new ATOM 0 HG21 ILE B 31 8.996 11.826 3.291 1.00 0.00 H new ATOM 0 HG22 ILE B 31 10.533 10.965 3.037 1.00 0.00 H new ATOM 0 HG23 ILE B 31 9.513 11.395 1.643 1.00 0.00 H new ATOM 0 HD11 ILE B 31 5.390 9.264 3.062 1.00 0.00 H new ATOM 0 HD12 ILE B 31 6.697 8.097 3.376 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.563 9.571 4.364 1.00 0.00 H new ATOM 2039 N ILE B 32 7.875 6.967 1.497 1.00 0.00 N ATOM 2040 CA ILE B 32 7.279 5.610 1.657 1.00 0.00 C ATOM 2041 C ILE B 32 8.326 4.615 1.216 1.00 0.00 C ATOM 2042 O ILE B 32 8.698 3.707 1.937 1.00 0.00 O ATOM 2043 CB ILE B 32 6.077 5.542 0.703 1.00 0.00 C ATOM 2044 CG1 ILE B 32 4.944 6.420 1.249 1.00 0.00 C ATOM 2045 CG2 ILE B 32 5.599 4.088 0.578 1.00 0.00 C ATOM 2046 CD1 ILE B 32 3.975 5.585 2.089 1.00 0.00 C ATOM 0 H ILE B 32 7.421 7.563 0.805 1.00 0.00 H new ATOM 0 HA ILE B 32 6.967 5.402 2.681 1.00 0.00 H new ATOM 0 HB ILE B 32 6.371 5.905 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE B 32 5.360 7.225 1.856 1.00 0.00 H new ATOM 0 HG13 ILE B 32 4.408 6.888 0.423 1.00 0.00 H new ATOM 0 HG21 ILE B 32 4.746 4.042 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE B 32 6.408 3.472 0.185 1.00 0.00 H new ATOM 0 HG23 ILE B 32 5.303 3.717 1.559 1.00 0.00 H new ATOM 0 HD11 ILE B 32 3.178 6.225 2.468 1.00 0.00 H new ATOM 0 HD12 ILE B 32 3.545 4.796 1.472 1.00 0.00 H new ATOM 0 HD13 ILE B 32 4.511 5.139 2.926 1.00 0.00 H new ATOM 2058 N THR B 33 8.818 4.805 0.030 1.00 0.00 N ATOM 2059 CA THR B 33 9.854 3.900 -0.475 1.00 0.00 C ATOM 2060 C THR B 33 11.134 4.126 0.336 1.00 0.00 C ATOM 2061 O THR B 33 11.827 3.196 0.699 1.00 0.00 O ATOM 2062 CB THR B 33 10.010 4.244 -1.964 1.00 0.00 C ATOM 2063 OG1 THR B 33 9.954 3.049 -2.727 1.00 0.00 O ATOM 2064 CG2 THR B 33 11.338 4.940 -2.224 1.00 0.00 C ATOM 0 H THR B 33 8.541 5.552 -0.606 1.00 0.00 H new ATOM 0 HA THR B 33 9.608 2.843 -0.373 1.00 0.00 H new ATOM 0 HB THR B 33 9.202 4.916 -2.252 1.00 0.00 H new ATOM 0 HG1 THR B 33 10.807 2.917 -3.191 1.00 0.00 H new ATOM 0 HG21 THR B 33 11.425 5.173 -3.285 1.00 0.00 H new ATOM 0 HG22 THR B 33 11.385 5.862 -1.645 1.00 0.00 H new ATOM 0 HG23 THR B 33 12.157 4.284 -1.929 1.00 0.00 H new ATOM 2072 N GLU B 34 11.436 5.360 0.636 1.00 0.00 N ATOM 2073 CA GLU B 34 12.657 5.660 1.436 1.00 0.00 C ATOM 2074 C GLU B 34 12.493 5.194 2.887 1.00 0.00 C ATOM 2075 O GLU B 34 13.436 4.735 3.494 1.00 0.00 O ATOM 2076 CB GLU B 34 12.799 7.174 1.371 1.00 0.00 C ATOM 2077 CG GLU B 34 13.438 7.566 0.028 1.00 0.00 C ATOM 2078 CD GLU B 34 14.895 7.100 -0.005 1.00 0.00 C ATOM 2079 OE1 GLU B 34 15.493 7.006 1.054 1.00 0.00 O ATOM 2080 OE2 GLU B 34 15.390 6.846 -1.092 1.00 0.00 O ATOM 0 H GLU B 34 10.888 6.175 0.361 1.00 0.00 H new ATOM 0 HA GLU B 34 13.536 5.144 1.049 1.00 0.00 H new ATOM 0 HB2 GLU B 34 11.823 7.647 1.474 1.00 0.00 H new ATOM 0 HB3 GLU B 34 13.415 7.529 2.197 1.00 0.00 H new ATOM 0 HG2 GLU B 34 12.883 7.115 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU B 34 13.388 8.646 -0.108 1.00 0.00 H new ATOM 2087 N THR B 35 11.310 5.298 3.457 1.00 0.00 N ATOM 2088 CA THR B 35 11.134 4.842 4.871 1.00 0.00 C ATOM 2089 C THR B 35 11.496 3.381 4.955 1.00 0.00 C ATOM 2090 O THR B 35 12.321 2.992 5.753 1.00 0.00 O ATOM 2091 CB THR B 35 9.663 5.042 5.238 1.00 0.00 C ATOM 2092 OG1 THR B 35 9.424 6.418 5.504 1.00 0.00 O ATOM 2093 CG2 THR B 35 9.343 4.210 6.489 1.00 0.00 C ATOM 0 H THR B 35 10.474 5.673 3.009 1.00 0.00 H new ATOM 0 HA THR B 35 11.770 5.404 5.555 1.00 0.00 H new ATOM 0 HB THR B 35 9.028 4.722 4.412 1.00 0.00 H new ATOM 0 HG1 THR B 35 9.025 6.839 4.714 1.00 0.00 H new ATOM 0 HG21 THR B 35 8.296 4.346 6.759 1.00 0.00 H new ATOM 0 HG22 THR B 35 9.530 3.156 6.283 1.00 0.00 H new ATOM 0 HG23 THR B 35 9.975 4.536 7.315 1.00 0.00 H new ATOM 2101 N VAL B 36 10.916 2.565 4.128 1.00 0.00 N ATOM 2102 CA VAL B 36 11.301 1.131 4.171 1.00 0.00 C ATOM 2103 C VAL B 36 12.818 1.069 4.015 1.00 0.00 C ATOM 2104 O VAL B 36 13.495 0.286 4.651 1.00 0.00 O ATOM 2105 CB VAL B 36 10.592 0.489 2.989 1.00 0.00 C ATOM 2106 CG1 VAL B 36 11.256 -0.848 2.648 1.00 0.00 C ATOM 2107 CG2 VAL B 36 9.127 0.265 3.360 1.00 0.00 C ATOM 0 H VAL B 36 10.208 2.819 3.439 1.00 0.00 H new ATOM 0 HA VAL B 36 11.028 0.620 5.094 1.00 0.00 H new ATOM 0 HB VAL B 36 10.656 1.141 2.118 1.00 0.00 H new ATOM 0 HG11 VAL B 36 10.744 -1.303 1.800 1.00 0.00 H new ATOM 0 HG12 VAL B 36 12.302 -0.680 2.392 1.00 0.00 H new ATOM 0 HG13 VAL B 36 11.196 -1.514 3.509 1.00 0.00 H new ATOM 0 HG21 VAL B 36 8.605 -0.195 2.521 1.00 0.00 H new ATOM 0 HG22 VAL B 36 9.068 -0.391 4.228 1.00 0.00 H new ATOM 0 HG23 VAL B 36 8.661 1.222 3.596 1.00 0.00 H new ATOM 2117 N ALA B 37 13.352 1.943 3.198 1.00 0.00 N ATOM 2118 CA ALA B 37 14.826 1.999 3.028 1.00 0.00 C ATOM 2119 C ALA B 37 15.433 2.754 4.213 1.00 0.00 C ATOM 2120 O ALA B 37 16.632 2.846 4.356 1.00 0.00 O ATOM 2121 CB ALA B 37 15.060 2.752 1.727 1.00 0.00 C ATOM 0 H ALA B 37 12.826 2.618 2.644 1.00 0.00 H new ATOM 0 HA ALA B 37 15.286 1.011 2.993 1.00 0.00 H new ATOM 0 HB1 ALA B 37 16.131 2.830 1.539 1.00 0.00 H new ATOM 0 HB2 ALA B 37 14.586 2.215 0.905 1.00 0.00 H new ATOM 0 HB3 ALA B 37 14.631 3.751 1.803 1.00 0.00 H new ATOM 2127 N LYS B 38 14.602 3.265 5.084 1.00 0.00 N ATOM 2128 CA LYS B 38 15.122 3.970 6.286 1.00 0.00 C ATOM 2129 C LYS B 38 14.989 3.022 7.462 1.00 0.00 C ATOM 2130 O LYS B 38 15.775 3.038 8.389 1.00 0.00 O ATOM 2131 CB LYS B 38 14.239 5.208 6.464 1.00 0.00 C ATOM 2132 CG LYS B 38 15.119 6.427 6.760 1.00 0.00 C ATOM 2133 CD LYS B 38 15.054 7.407 5.585 1.00 0.00 C ATOM 2134 CE LYS B 38 15.640 6.749 4.331 1.00 0.00 C ATOM 2135 NZ LYS B 38 16.688 7.693 3.854 1.00 0.00 N ATOM 0 H LYS B 38 13.585 3.223 5.012 1.00 0.00 H new ATOM 0 HA LYS B 38 16.167 4.269 6.200 1.00 0.00 H new ATOM 0 HB2 LYS B 38 13.651 5.381 5.562 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.533 5.050 7.279 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.783 6.917 7.674 1.00 0.00 H new ATOM 0 HG3 LYS B 38 16.149 6.112 6.927 1.00 0.00 H new ATOM 0 HD2 LYS B 38 14.021 7.704 5.403 1.00 0.00 H new ATOM 0 HD3 LYS B 38 15.609 8.314 5.824 1.00 0.00 H new ATOM 0 HE2 LYS B 38 16.064 5.771 4.560 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.873 6.594 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 16.895 7.504 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 16.349 8.670 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 17.553 7.564 4.417 1.00 0.00 H new ATOM 2149 N GLY B 39 14.013 2.163 7.401 1.00 0.00 N ATOM 2150 CA GLY B 39 13.837 1.171 8.475 1.00 0.00 C ATOM 2151 C GLY B 39 12.555 1.436 9.261 1.00 0.00 C ATOM 2152 O GLY B 39 12.521 1.273 10.466 1.00 0.00 O ATOM 0 H GLY B 39 13.329 2.111 6.646 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.805 0.169 8.047 1.00 0.00 H new ATOM 0 HA3 GLY B 39 14.694 1.203 9.148 1.00 0.00 H new ATOM 2156 N ASP B 40 11.496 1.830 8.604 1.00 0.00 N ATOM 2157 CA ASP B 40 10.228 2.080 9.358 1.00 0.00 C ATOM 2158 C ASP B 40 9.049 1.362 8.691 1.00 0.00 C ATOM 2159 O ASP B 40 8.864 1.422 7.492 1.00 0.00 O ATOM 2160 CB ASP B 40 10.030 3.597 9.339 1.00 0.00 C ATOM 2161 CG ASP B 40 10.045 4.134 10.773 1.00 0.00 C ATOM 2162 OD1 ASP B 40 10.874 3.682 11.545 1.00 0.00 O ATOM 2163 OD2 ASP B 40 9.227 4.987 11.073 1.00 0.00 O ATOM 0 H ASP B 40 11.451 1.988 7.597 1.00 0.00 H new ATOM 0 HA ASP B 40 10.283 1.698 10.378 1.00 0.00 H new ATOM 0 HB2 ASP B 40 10.819 4.070 8.754 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.084 3.845 8.857 1.00 0.00 H new ATOM 2168 N LYS B 41 8.247 0.689 9.475 1.00 0.00 N ATOM 2169 CA LYS B 41 7.068 -0.037 8.920 1.00 0.00 C ATOM 2170 C LYS B 41 5.901 0.934 8.747 1.00 0.00 C ATOM 2171 O LYS B 41 5.086 1.105 9.632 1.00 0.00 O ATOM 2172 CB LYS B 41 6.729 -1.102 9.965 1.00 0.00 C ATOM 2173 CG LYS B 41 7.756 -2.237 9.899 1.00 0.00 C ATOM 2174 CD LYS B 41 8.576 -2.268 11.191 1.00 0.00 C ATOM 2175 CE LYS B 41 8.003 -3.327 12.137 1.00 0.00 C ATOM 2176 NZ LYS B 41 9.192 -4.031 12.692 1.00 0.00 N ATOM 0 H LYS B 41 8.361 0.611 10.486 1.00 0.00 H new ATOM 0 HA LYS B 41 7.270 -0.479 7.944 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.726 -0.659 10.961 1.00 0.00 H new ATOM 0 HB3 LYS B 41 5.728 -1.494 9.787 1.00 0.00 H new ATOM 0 HG2 LYS B 41 7.249 -3.191 9.756 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.415 -2.095 9.042 1.00 0.00 H new ATOM 0 HD2 LYS B 41 9.619 -2.492 10.967 1.00 0.00 H new ATOM 0 HD3 LYS B 41 8.556 -1.289 11.670 1.00 0.00 H new ATOM 0 HE2 LYS B 41 7.410 -2.870 12.929 1.00 0.00 H new ATOM 0 HE3 LYS B 41 7.348 -4.017 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 8.880 -4.773 13.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 9.734 -4.462 11.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 9.794 -3.350 13.198 1.00 0.00 H new ATOM 2190 N VAL B 42 5.823 1.575 7.618 1.00 0.00 N ATOM 2191 CA VAL B 42 4.713 2.547 7.383 1.00 0.00 C ATOM 2192 C VAL B 42 3.393 1.806 7.153 1.00 0.00 C ATOM 2193 O VAL B 42 3.362 0.738 6.574 1.00 0.00 O ATOM 2194 CB VAL B 42 5.118 3.338 6.135 1.00 0.00 C ATOM 2195 CG1 VAL B 42 6.356 4.180 6.447 1.00 0.00 C ATOM 2196 CG2 VAL B 42 5.430 2.377 4.982 1.00 0.00 C ATOM 0 H VAL B 42 6.479 1.471 6.844 1.00 0.00 H new ATOM 0 HA VAL B 42 4.559 3.203 8.240 1.00 0.00 H new ATOM 0 HB VAL B 42 4.295 3.990 5.842 1.00 0.00 H new ATOM 0 HG11 VAL B 42 6.646 4.744 5.560 1.00 0.00 H new ATOM 0 HG12 VAL B 42 6.131 4.872 7.259 1.00 0.00 H new ATOM 0 HG13 VAL B 42 7.175 3.526 6.745 1.00 0.00 H new ATOM 0 HG21 VAL B 42 5.717 2.949 4.099 1.00 0.00 H new ATOM 0 HG22 VAL B 42 6.249 1.718 5.269 1.00 0.00 H new ATOM 0 HG23 VAL B 42 4.546 1.780 4.756 1.00 0.00 H new ATOM 2206 N GLN B 43 2.304 2.365 7.613 1.00 0.00 N ATOM 2207 CA GLN B 43 0.981 1.695 7.433 1.00 0.00 C ATOM 2208 C GLN B 43 -0.089 2.726 7.064 1.00 0.00 C ATOM 2209 O GLN B 43 0.147 3.916 7.096 1.00 0.00 O ATOM 2210 CB GLN B 43 0.664 1.065 8.793 1.00 0.00 C ATOM 2211 CG GLN B 43 1.856 0.228 9.268 1.00 0.00 C ATOM 2212 CD GLN B 43 1.363 -0.921 10.152 1.00 0.00 C ATOM 2213 OE1 GLN B 43 0.174 -1.099 10.335 1.00 0.00 O ATOM 2214 NE2 GLN B 43 2.234 -1.711 10.718 1.00 0.00 N ATOM 0 H GLN B 43 2.273 3.257 8.106 1.00 0.00 H new ATOM 0 HA GLN B 43 1.002 0.954 6.634 1.00 0.00 H new ATOM 0 HB2 GLN B 43 0.442 1.844 9.522 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -0.224 0.438 8.715 1.00 0.00 H new ATOM 0 HG2 GLN B 43 2.399 -0.168 8.410 1.00 0.00 H new ATOM 0 HG3 GLN B 43 2.553 0.854 9.825 1.00 0.00 H new ATOM 0 HE21 GLN B 43 3.232 -1.563 10.565 1.00 0.00 H new ATOM 0 HE22 GLN B 43 1.917 -2.477 11.313 1.00 0.00 H new ATOM 2223 N LEU B 44 -1.262 2.277 6.708 1.00 0.00 N ATOM 2224 CA LEU B 44 -2.348 3.229 6.334 1.00 0.00 C ATOM 2225 C LEU B 44 -3.678 2.809 6.973 1.00 0.00 C ATOM 2226 O LEU B 44 -3.742 1.848 7.708 1.00 0.00 O ATOM 2227 CB LEU B 44 -2.423 3.165 4.811 1.00 0.00 C ATOM 2228 CG LEU B 44 -1.072 3.581 4.210 1.00 0.00 C ATOM 2229 CD1 LEU B 44 -1.102 3.453 2.680 1.00 0.00 C ATOM 2230 CD2 LEU B 44 -0.783 5.037 4.576 1.00 0.00 C ATOM 0 H LEU B 44 -1.516 1.290 6.660 1.00 0.00 H new ATOM 0 HA LEU B 44 -2.148 4.241 6.685 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -2.679 2.155 4.492 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.212 3.823 4.448 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.296 2.928 4.609 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.137 3.752 2.271 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.308 2.418 2.405 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -1.883 4.098 2.276 1.00 0.00 H new ATOM 0 HD21 LEU B 44 0.175 5.336 4.151 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.571 5.676 4.178 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.747 5.139 5.661 1.00 0.00 H new ATOM 2242 N THR B 45 -4.724 3.553 6.711 1.00 0.00 N ATOM 2243 CA THR B 45 -6.074 3.253 7.300 1.00 0.00 C ATOM 2244 C THR B 45 -6.435 1.763 7.204 1.00 0.00 C ATOM 2245 O THR B 45 -7.297 1.375 6.440 1.00 0.00 O ATOM 2246 CB THR B 45 -7.057 4.082 6.467 1.00 0.00 C ATOM 2247 OG1 THR B 45 -8.388 3.769 6.855 1.00 0.00 O ATOM 2248 CG2 THR B 45 -6.869 3.768 4.981 1.00 0.00 C ATOM 0 H THR B 45 -4.702 4.372 6.103 1.00 0.00 H new ATOM 0 HA THR B 45 -6.097 3.497 8.362 1.00 0.00 H new ATOM 0 HB THR B 45 -6.868 5.142 6.636 1.00 0.00 H new ATOM 0 HG1 THR B 45 -8.513 2.797 6.839 1.00 0.00 H new ATOM 0 HG21 THR B 45 -7.570 4.360 4.393 1.00 0.00 H new ATOM 0 HG22 THR B 45 -5.849 4.012 4.684 1.00 0.00 H new ATOM 0 HG23 THR B 45 -7.054 2.708 4.807 1.00 0.00 H new ATOM 2256 N GLY B 46 -5.800 0.935 7.989 1.00 0.00 N ATOM 2257 CA GLY B 46 -6.109 -0.527 7.969 1.00 0.00 C ATOM 2258 C GLY B 46 -6.272 -1.031 6.530 1.00 0.00 C ATOM 2259 O GLY B 46 -6.995 -1.976 6.281 1.00 0.00 O ATOM 0 H GLY B 46 -5.073 1.210 8.650 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -5.310 -1.079 8.464 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -7.023 -0.718 8.531 1.00 0.00 H new ATOM 2263 N PHE B 47 -5.608 -0.420 5.581 1.00 0.00 N ATOM 2264 CA PHE B 47 -5.741 -0.895 4.173 1.00 0.00 C ATOM 2265 C PHE B 47 -4.357 -1.113 3.547 1.00 0.00 C ATOM 2266 O PHE B 47 -4.176 -2.010 2.754 1.00 0.00 O ATOM 2267 CB PHE B 47 -6.580 0.172 3.450 1.00 0.00 C ATOM 2268 CG PHE B 47 -5.727 1.125 2.654 1.00 0.00 C ATOM 2269 CD1 PHE B 47 -5.099 2.192 3.292 1.00 0.00 C ATOM 2270 CD2 PHE B 47 -5.598 0.966 1.270 1.00 0.00 C ATOM 2271 CE1 PHE B 47 -4.347 3.096 2.554 1.00 0.00 C ATOM 2272 CE2 PHE B 47 -4.835 1.871 0.537 1.00 0.00 C ATOM 2273 CZ PHE B 47 -4.212 2.936 1.186 1.00 0.00 C ATOM 0 H PHE B 47 -4.987 0.377 5.719 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.237 -1.863 4.100 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.292 -0.317 2.785 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -7.161 0.732 4.182 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -5.197 2.316 4.360 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.089 0.143 0.771 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.866 3.927 3.049 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -4.726 1.748 -0.530 1.00 0.00 H new ATOM 0 HZ PHE B 47 -3.621 3.640 0.618 1.00 0.00 H new ATOM 2283 N LEU B 48 -3.374 -0.341 3.913 1.00 0.00 N ATOM 2284 CA LEU B 48 -2.015 -0.574 3.342 1.00 0.00 C ATOM 2285 C LEU B 48 -0.976 -0.679 4.460 1.00 0.00 C ATOM 2286 O LEU B 48 -0.765 0.244 5.221 1.00 0.00 O ATOM 2287 CB LEU B 48 -1.739 0.614 2.435 1.00 0.00 C ATOM 2288 CG LEU B 48 -2.236 0.318 1.015 1.00 0.00 C ATOM 2289 CD1 LEU B 48 -1.675 1.358 0.048 1.00 0.00 C ATOM 2290 CD2 LEU B 48 -1.791 -1.083 0.572 1.00 0.00 C ATOM 0 H LEU B 48 -3.448 0.432 4.574 1.00 0.00 H new ATOM 0 HA LEU B 48 -1.961 -1.510 2.786 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.236 1.502 2.825 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.670 0.828 2.418 1.00 0.00 H new ATOM 0 HG LEU B 48 -3.325 0.361 1.010 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -2.030 1.146 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.009 2.351 0.348 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -0.586 1.321 0.065 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -2.152 -1.277 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.703 -1.140 0.586 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -2.202 -1.828 1.254 1.00 0.00 H new ATOM 2302 N ASN B 49 -0.336 -1.815 4.566 1.00 0.00 N ATOM 2303 CA ASN B 49 0.683 -2.011 5.637 1.00 0.00 C ATOM 2304 C ASN B 49 2.067 -2.275 5.032 1.00 0.00 C ATOM 2305 O ASN B 49 2.598 -3.362 5.134 1.00 0.00 O ATOM 2306 CB ASN B 49 0.197 -3.241 6.407 1.00 0.00 C ATOM 2307 CG ASN B 49 -0.635 -2.797 7.611 1.00 0.00 C ATOM 2308 OD1 ASN B 49 -0.504 -1.684 8.077 1.00 0.00 O ATOM 2309 ND2 ASN B 49 -1.493 -3.627 8.138 1.00 0.00 N ATOM 0 H ASN B 49 -0.477 -2.618 3.953 1.00 0.00 H new ATOM 0 HA ASN B 49 0.785 -1.131 6.272 1.00 0.00 H new ATOM 0 HB2 ASN B 49 -0.400 -3.878 5.755 1.00 0.00 H new ATOM 0 HB3 ASN B 49 1.049 -3.834 6.740 1.00 0.00 H new ATOM 0 HD21 ASN B 49 -2.053 -3.340 8.941 1.00 0.00 H new ATOM 0 HD22 ASN B 49 -1.604 -4.563 7.747 1.00 0.00 H new ATOM 2316 N ILE B 50 2.661 -1.287 4.415 1.00 0.00 N ATOM 2317 CA ILE B 50 4.017 -1.486 3.817 1.00 0.00 C ATOM 2318 C ILE B 50 5.010 -1.888 4.914 1.00 0.00 C ATOM 2319 O ILE B 50 5.313 -1.106 5.795 1.00 0.00 O ATOM 2320 CB ILE B 50 4.391 -0.119 3.223 1.00 0.00 C ATOM 2321 CG1 ILE B 50 3.648 0.093 1.897 1.00 0.00 C ATOM 2322 CG2 ILE B 50 5.903 -0.045 2.975 1.00 0.00 C ATOM 2323 CD1 ILE B 50 4.152 -0.903 0.845 1.00 0.00 C ATOM 0 H ILE B 50 2.268 -0.353 4.299 1.00 0.00 H new ATOM 0 HA ILE B 50 4.033 -2.273 3.063 1.00 0.00 H new ATOM 0 HB ILE B 50 4.105 0.659 3.930 1.00 0.00 H new ATOM 0 HG12 ILE B 50 2.576 -0.036 2.047 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.800 1.113 1.545 1.00 0.00 H new ATOM 0 HG21 ILE B 50 6.155 0.928 2.554 1.00 0.00 H new ATOM 0 HG22 ILE B 50 6.433 -0.181 3.917 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.196 -0.829 2.277 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.618 -0.744 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.220 -0.753 0.684 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.977 -1.921 1.194 1.00 0.00 H new ATOM 2335 N LYS B 51 5.523 -3.093 4.875 1.00 0.00 N ATOM 2336 CA LYS B 51 6.497 -3.505 5.936 1.00 0.00 C ATOM 2337 C LYS B 51 7.658 -4.294 5.314 1.00 0.00 C ATOM 2338 O LYS B 51 7.444 -5.302 4.674 1.00 0.00 O ATOM 2339 CB LYS B 51 5.698 -4.382 6.907 1.00 0.00 C ATOM 2340 CG LYS B 51 4.894 -5.428 6.131 1.00 0.00 C ATOM 2341 CD LYS B 51 4.450 -6.543 7.081 1.00 0.00 C ATOM 2342 CE LYS B 51 5.666 -7.372 7.503 1.00 0.00 C ATOM 2343 NZ LYS B 51 5.259 -8.790 7.289 1.00 0.00 N ATOM 0 H LYS B 51 5.315 -3.799 4.169 1.00 0.00 H new ATOM 0 HA LYS B 51 6.936 -2.647 6.444 1.00 0.00 H new ATOM 0 HB2 LYS B 51 6.375 -4.876 7.604 1.00 0.00 H new ATOM 0 HB3 LYS B 51 5.026 -3.762 7.500 1.00 0.00 H new ATOM 0 HG2 LYS B 51 4.024 -4.963 5.668 1.00 0.00 H new ATOM 0 HG3 LYS B 51 5.500 -5.843 5.325 1.00 0.00 H new ATOM 0 HD2 LYS B 51 3.966 -6.115 7.959 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.715 -7.181 6.591 1.00 0.00 H new ATOM 0 HE2 LYS B 51 6.543 -7.119 6.907 1.00 0.00 H new ATOM 0 HE3 LYS B 51 5.926 -7.189 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 6.042 -9.420 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.427 -9.004 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 5.024 -8.936 6.286 1.00 0.00 H new ATOM 2357 N PRO B 52 8.859 -3.802 5.510 1.00 0.00 N ATOM 2358 CA PRO B 52 10.048 -4.474 4.937 1.00 0.00 C ATOM 2359 C PRO B 52 10.442 -5.721 5.724 1.00 0.00 C ATOM 2360 O PRO B 52 10.510 -5.727 6.938 1.00 0.00 O ATOM 2361 CB PRO B 52 11.142 -3.423 5.033 1.00 0.00 C ATOM 2362 CG PRO B 52 10.728 -2.527 6.150 1.00 0.00 C ATOM 2363 CD PRO B 52 9.223 -2.595 6.259 1.00 0.00 C ATOM 0 HA PRO B 52 9.864 -4.820 3.920 1.00 0.00 H new ATOM 0 HB2 PRO B 52 12.111 -3.881 5.234 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.239 -2.869 4.099 1.00 0.00 H new ATOM 0 HG2 PRO B 52 11.194 -2.840 7.084 1.00 0.00 H new ATOM 0 HG3 PRO B 52 11.052 -1.504 5.960 1.00 0.00 H new ATOM 0 HD2 PRO B 52 8.902 -2.660 7.299 1.00 0.00 H new ATOM 0 HD3 PRO B 52 8.753 -1.707 5.836 1.00 0.00 H new ATOM 2371 N VAL B 53 10.734 -6.764 5.009 1.00 0.00 N ATOM 2372 CA VAL B 53 11.173 -8.040 5.634 1.00 0.00 C ATOM 2373 C VAL B 53 12.302 -8.623 4.790 1.00 0.00 C ATOM 2374 O VAL B 53 12.129 -8.916 3.625 1.00 0.00 O ATOM 2375 CB VAL B 53 9.950 -8.947 5.624 1.00 0.00 C ATOM 2376 CG1 VAL B 53 8.830 -8.294 6.438 1.00 0.00 C ATOM 2377 CG2 VAL B 53 9.473 -9.158 4.180 1.00 0.00 C ATOM 0 H VAL B 53 10.686 -6.788 3.990 1.00 0.00 H new ATOM 0 HA VAL B 53 11.545 -7.916 6.651 1.00 0.00 H new ATOM 0 HB VAL B 53 10.210 -9.911 6.062 1.00 0.00 H new ATOM 0 HG11 VAL B 53 7.952 -8.940 6.433 1.00 0.00 H new ATOM 0 HG12 VAL B 53 9.165 -8.145 7.464 1.00 0.00 H new ATOM 0 HG13 VAL B 53 8.574 -7.331 5.997 1.00 0.00 H new ATOM 0 HG21 VAL B 53 8.598 -9.808 4.177 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.212 -8.196 3.739 1.00 0.00 H new ATOM 0 HG23 VAL B 53 10.270 -9.620 3.597 1.00 0.00 H new ATOM 2387 N ALA B 54 13.468 -8.742 5.349 1.00 0.00 N ATOM 2388 CA ALA B 54 14.620 -9.235 4.539 1.00 0.00 C ATOM 2389 C ALA B 54 14.596 -10.742 4.292 1.00 0.00 C ATOM 2390 O ALA B 54 14.251 -11.521 5.156 1.00 0.00 O ATOM 2391 CB ALA B 54 15.887 -8.805 5.291 1.00 0.00 C ATOM 0 H ALA B 54 13.677 -8.523 6.323 1.00 0.00 H new ATOM 0 HA ALA B 54 14.577 -8.803 3.539 1.00 0.00 H new ATOM 0 HB1 ALA B 54 16.767 -9.140 4.742 1.00 0.00 H new ATOM 0 HB2 ALA B 54 15.906 -7.719 5.380 1.00 0.00 H new ATOM 0 HB3 ALA B 54 15.888 -9.250 6.286 1.00 0.00 H new ATOM 2710 N VAL B 75 16.028 -7.240 3.020 1.00 0.00 N ATOM 2711 CA VAL B 75 14.713 -6.491 3.031 1.00 0.00 C ATOM 2712 C VAL B 75 13.731 -6.936 1.936 1.00 0.00 C ATOM 2713 O VAL B 75 14.085 -7.203 0.808 1.00 0.00 O ATOM 2714 CB VAL B 75 15.064 -5.015 2.853 1.00 0.00 C ATOM 2715 CG1 VAL B 75 13.780 -4.188 2.948 1.00 0.00 C ATOM 2716 CG2 VAL B 75 16.034 -4.575 3.958 1.00 0.00 C ATOM 0 HA VAL B 75 14.197 -6.695 3.969 1.00 0.00 H new ATOM 0 HB VAL B 75 15.536 -4.865 1.882 1.00 0.00 H new ATOM 0 HG11 VAL B 75 14.017 -3.132 2.822 1.00 0.00 H new ATOM 0 HG12 VAL B 75 13.088 -4.500 2.166 1.00 0.00 H new ATOM 0 HG13 VAL B 75 13.319 -4.343 3.923 1.00 0.00 H new ATOM 0 HG21 VAL B 75 16.281 -3.522 3.827 1.00 0.00 H new ATOM 0 HG22 VAL B 75 15.566 -4.719 4.932 1.00 0.00 H new ATOM 0 HG23 VAL B 75 16.945 -5.171 3.901 1.00 0.00 H new ATOM 2726 N GLY B 76 12.481 -7.013 2.291 1.00 0.00 N ATOM 2727 CA GLY B 76 11.434 -7.435 1.316 1.00 0.00 C ATOM 2728 C GLY B 76 10.161 -6.624 1.565 1.00 0.00 C ATOM 2729 O GLY B 76 9.158 -7.147 2.008 1.00 0.00 O ATOM 0 H GLY B 76 12.134 -6.799 3.226 1.00 0.00 H new ATOM 0 HA2 GLY B 76 11.785 -7.279 0.296 1.00 0.00 H new ATOM 0 HA3 GLY B 76 11.228 -8.500 1.423 1.00 0.00 H new ATOM 2733 N VAL B 77 10.209 -5.346 1.291 1.00 0.00 N ATOM 2734 CA VAL B 77 9.030 -4.452 1.506 1.00 0.00 C ATOM 2735 C VAL B 77 7.717 -5.149 1.188 1.00 0.00 C ATOM 2736 O VAL B 77 7.256 -5.161 0.062 1.00 0.00 O ATOM 2737 CB VAL B 77 9.236 -3.270 0.554 1.00 0.00 C ATOM 2738 CG1 VAL B 77 9.440 -3.780 -0.881 1.00 0.00 C ATOM 2739 CG2 VAL B 77 7.998 -2.360 0.604 1.00 0.00 C ATOM 0 H VAL B 77 11.033 -4.874 0.919 1.00 0.00 H new ATOM 0 HA VAL B 77 8.966 -4.147 2.550 1.00 0.00 H new ATOM 0 HB VAL B 77 10.119 -2.710 0.860 1.00 0.00 H new ATOM 0 HG11 VAL B 77 9.586 -2.933 -1.551 1.00 0.00 H new ATOM 0 HG12 VAL B 77 10.317 -4.426 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL B 77 8.562 -4.344 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL B 77 8.139 -1.517 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.118 -2.926 0.299 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.858 -1.991 1.620 1.00 0.00 H new ATOM 2749 N SER B 78 7.098 -5.688 2.187 1.00 0.00 N ATOM 2750 CA SER B 78 5.790 -6.344 1.967 1.00 0.00 C ATOM 2751 C SER B 78 4.676 -5.334 2.253 1.00 0.00 C ATOM 2752 O SER B 78 4.922 -4.225 2.680 1.00 0.00 O ATOM 2753 CB SER B 78 5.744 -7.499 2.967 1.00 0.00 C ATOM 2754 OG SER B 78 4.423 -8.022 3.016 1.00 0.00 O ATOM 0 H SER B 78 7.440 -5.704 3.148 1.00 0.00 H new ATOM 0 HA SER B 78 5.660 -6.703 0.946 1.00 0.00 H new ATOM 0 HB2 SER B 78 6.446 -8.279 2.673 1.00 0.00 H new ATOM 0 HB3 SER B 78 6.048 -7.153 3.955 1.00 0.00 H new ATOM 0 HG SER B 78 4.389 -8.764 3.655 1.00 0.00 H new ATOM 2760 N VAL B 79 3.461 -5.726 2.030 1.00 0.00 N ATOM 2761 CA VAL B 79 2.289 -4.835 2.280 1.00 0.00 C ATOM 2762 C VAL B 79 1.023 -5.563 1.829 1.00 0.00 C ATOM 2763 O VAL B 79 1.093 -6.657 1.303 1.00 0.00 O ATOM 2764 CB VAL B 79 2.520 -3.582 1.420 1.00 0.00 C ATOM 2765 CG1 VAL B 79 2.500 -3.958 -0.061 1.00 0.00 C ATOM 2766 CG2 VAL B 79 1.415 -2.561 1.695 1.00 0.00 C ATOM 0 H VAL B 79 3.218 -6.651 1.675 1.00 0.00 H new ATOM 0 HA VAL B 79 2.179 -4.570 3.331 1.00 0.00 H new ATOM 0 HB VAL B 79 3.489 -3.151 1.672 1.00 0.00 H new ATOM 0 HG11 VAL B 79 2.664 -3.066 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL B 79 3.288 -4.683 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL B 79 1.533 -4.394 -0.313 1.00 0.00 H new ATOM 0 HG21 VAL B 79 1.580 -1.673 1.085 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.447 -2.997 1.447 1.00 0.00 H new ATOM 0 HG23 VAL B 79 1.429 -2.284 2.749 1.00 0.00 H new ATOM 2776 N LYS B 80 -0.126 -4.965 1.987 1.00 0.00 N ATOM 2777 CA LYS B 80 -1.372 -5.626 1.521 1.00 0.00 C ATOM 2778 C LYS B 80 -2.581 -4.720 1.766 1.00 0.00 C ATOM 2779 O LYS B 80 -2.473 -3.697 2.411 1.00 0.00 O ATOM 2780 CB LYS B 80 -1.483 -6.898 2.375 1.00 0.00 C ATOM 2781 CG LYS B 80 -1.403 -6.535 3.861 1.00 0.00 C ATOM 2782 CD LYS B 80 -1.298 -7.812 4.695 1.00 0.00 C ATOM 2783 CE LYS B 80 -2.700 -8.362 4.975 1.00 0.00 C ATOM 2784 NZ LYS B 80 -2.774 -9.637 4.209 1.00 0.00 N ATOM 0 H LYS B 80 -0.253 -4.049 2.418 1.00 0.00 H new ATOM 0 HA LYS B 80 -1.348 -5.843 0.453 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -2.424 -7.406 2.166 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -0.682 -7.591 2.117 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -0.538 -5.897 4.044 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -2.286 -5.968 4.155 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -0.704 -8.556 4.165 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -0.784 -7.604 5.634 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -2.851 -8.533 6.041 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -3.470 -7.662 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -3.707 -10.074 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -2.633 -9.443 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -2.033 -10.286 4.543 1.00 0.00 H new ATOM 2798 N PRO B 81 -3.702 -5.158 1.266 1.00 0.00 N ATOM 2799 CA PRO B 81 -4.968 -4.430 1.444 1.00 0.00 C ATOM 2800 C PRO B 81 -5.641 -4.871 2.738 1.00 0.00 C ATOM 2801 O PRO B 81 -6.220 -5.938 2.814 1.00 0.00 O ATOM 2802 CB PRO B 81 -5.795 -4.861 0.246 1.00 0.00 C ATOM 2803 CG PRO B 81 -5.252 -6.200 -0.158 1.00 0.00 C ATOM 2804 CD PRO B 81 -3.882 -6.357 0.461 1.00 0.00 C ATOM 0 HA PRO B 81 -4.841 -3.349 1.506 1.00 0.00 H new ATOM 0 HB2 PRO B 81 -6.852 -4.928 0.503 1.00 0.00 H new ATOM 0 HB3 PRO B 81 -5.710 -4.142 -0.568 1.00 0.00 H new ATOM 0 HG2 PRO B 81 -5.915 -6.997 0.178 1.00 0.00 H new ATOM 0 HG3 PRO B 81 -5.190 -6.274 -1.244 1.00 0.00 H new ATOM 0 HD2 PRO B 81 -3.824 -7.257 1.073 1.00 0.00 H new ATOM 0 HD3 PRO B 81 -3.109 -6.441 -0.303 1.00 0.00 H new ATOM 2812 N GLY B 82 -5.571 -4.067 3.754 1.00 0.00 N ATOM 2813 CA GLY B 82 -6.211 -4.442 5.051 1.00 0.00 C ATOM 2814 C GLY B 82 -7.741 -4.367 4.932 1.00 0.00 C ATOM 2815 O GLY B 82 -8.420 -3.975 5.860 1.00 0.00 O ATOM 0 H GLY B 82 -5.099 -3.163 3.749 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -5.910 -5.451 5.334 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -5.868 -3.773 5.840 1.00 0.00 H new ATOM 2819 N GLU B 83 -8.287 -4.749 3.801 1.00 0.00 N ATOM 2820 CA GLU B 83 -9.774 -4.722 3.596 1.00 0.00 C ATOM 2821 C GLU B 83 -10.350 -3.302 3.644 1.00 0.00 C ATOM 2822 O GLU B 83 -11.358 -3.034 3.029 1.00 0.00 O ATOM 2823 CB GLU B 83 -10.366 -5.582 4.710 1.00 0.00 C ATOM 2824 CG GLU B 83 -11.885 -5.687 4.529 1.00 0.00 C ATOM 2825 CD GLU B 83 -12.246 -7.081 4.011 1.00 0.00 C ATOM 2826 OE1 GLU B 83 -11.497 -7.604 3.204 1.00 0.00 O ATOM 2827 OE2 GLU B 83 -13.266 -7.601 4.431 1.00 0.00 O ATOM 0 H GLU B 83 -7.757 -5.084 2.997 1.00 0.00 H new ATOM 0 HA GLU B 83 -10.024 -5.103 2.606 1.00 0.00 H new ATOM 0 HB2 GLU B 83 -9.918 -6.576 4.693 1.00 0.00 H new ATOM 0 HB3 GLU B 83 -10.135 -5.145 5.682 1.00 0.00 H new ATOM 0 HG2 GLU B 83 -12.388 -5.499 5.478 1.00 0.00 H new ATOM 0 HG3 GLU B 83 -12.231 -4.927 3.829 1.00 0.00 H new ATOM 2834 N SER B 84 -9.743 -2.386 4.352 1.00 0.00 N ATOM 2835 CA SER B 84 -10.303 -1.000 4.389 1.00 0.00 C ATOM 2836 C SER B 84 -10.514 -0.510 2.952 1.00 0.00 C ATOM 2837 O SER B 84 -11.481 0.160 2.644 1.00 0.00 O ATOM 2838 CB SER B 84 -9.256 -0.161 5.119 1.00 0.00 C ATOM 2839 OG SER B 84 -9.259 1.163 4.600 1.00 0.00 O ATOM 0 H SER B 84 -8.895 -2.533 4.900 1.00 0.00 H new ATOM 0 HA SER B 84 -11.267 -0.939 4.895 1.00 0.00 H new ATOM 0 HB2 SER B 84 -9.470 -0.144 6.188 1.00 0.00 H new ATOM 0 HB3 SER B 84 -8.269 -0.607 4.998 1.00 0.00 H new ATOM 0 HG SER B 84 -8.749 1.750 5.197 1.00 0.00 H new ATOM 2845 N LEU B 85 -9.626 -0.878 2.065 1.00 0.00 N ATOM 2846 CA LEU B 85 -9.777 -0.476 0.640 1.00 0.00 C ATOM 2847 C LEU B 85 -10.674 -1.495 -0.065 1.00 0.00 C ATOM 2848 O LEU B 85 -11.473 -1.152 -0.914 1.00 0.00 O ATOM 2849 CB LEU B 85 -8.358 -0.503 0.065 1.00 0.00 C ATOM 2850 CG LEU B 85 -8.402 -0.421 -1.466 1.00 0.00 C ATOM 2851 CD1 LEU B 85 -7.353 0.580 -1.960 1.00 0.00 C ATOM 2852 CD2 LEU B 85 -8.107 -1.802 -2.058 1.00 0.00 C ATOM 0 H LEU B 85 -8.801 -1.442 2.270 1.00 0.00 H new ATOM 0 HA LEU B 85 -10.232 0.507 0.515 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -7.781 0.331 0.464 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.851 -1.418 0.373 1.00 0.00 H new ATOM 0 HG LEU B 85 -9.392 -0.091 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -7.387 0.636 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -7.562 1.564 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -6.362 0.254 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -8.138 -1.746 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -7.118 -2.131 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -8.855 -2.514 -1.710 1.00 0.00 H new ATOM 2864 N LYS B 86 -10.553 -2.745 0.296 1.00 0.00 N ATOM 2865 CA LYS B 86 -11.407 -3.785 -0.340 1.00 0.00 C ATOM 2866 C LYS B 86 -12.836 -3.611 0.134 1.00 0.00 C ATOM 2867 O LYS B 86 -13.782 -3.800 -0.607 1.00 0.00 O ATOM 2868 CB LYS B 86 -10.852 -5.128 0.133 1.00 0.00 C ATOM 2869 CG LYS B 86 -10.750 -6.087 -1.054 1.00 0.00 C ATOM 2870 CD LYS B 86 -10.071 -7.384 -0.606 1.00 0.00 C ATOM 2871 CE LYS B 86 -10.694 -8.568 -1.349 1.00 0.00 C ATOM 2872 NZ LYS B 86 -9.578 -9.540 -1.529 1.00 0.00 N ATOM 0 H LYS B 86 -9.901 -3.088 1.002 1.00 0.00 H new ATOM 0 HA LYS B 86 -11.401 -3.717 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -9.871 -4.988 0.586 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.500 -5.551 0.901 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.743 -6.301 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -10.180 -5.625 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -9.001 -7.336 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -10.186 -7.515 0.470 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -11.512 -9.007 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -11.107 -8.259 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -9.927 -10.381 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -8.817 -9.097 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -9.210 -9.822 -0.598 1.00 0.00 H new ATOM 2886 N LYS B 87 -12.996 -3.222 1.359 1.00 0.00 N ATOM 2887 CA LYS B 87 -14.355 -2.998 1.883 1.00 0.00 C ATOM 2888 C LYS B 87 -14.887 -1.752 1.194 1.00 0.00 C ATOM 2889 O LYS B 87 -16.029 -1.686 0.758 1.00 0.00 O ATOM 2890 CB LYS B 87 -14.183 -2.796 3.393 1.00 0.00 C ATOM 2891 CG LYS B 87 -15.516 -2.361 4.016 1.00 0.00 C ATOM 2892 CD LYS B 87 -16.042 -3.465 4.939 1.00 0.00 C ATOM 2893 CE LYS B 87 -15.910 -3.022 6.398 1.00 0.00 C ATOM 2894 NZ LYS B 87 -16.885 -3.865 7.144 1.00 0.00 N ATOM 0 H LYS B 87 -12.239 -3.049 2.021 1.00 0.00 H new ATOM 0 HA LYS B 87 -15.054 -3.815 1.703 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -13.840 -3.721 3.856 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -13.419 -2.042 3.583 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -15.381 -1.437 4.579 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -16.244 -2.153 3.232 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -17.085 -3.680 4.707 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -15.482 -4.386 4.776 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -14.895 -3.172 6.766 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -16.137 -1.962 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -16.854 -3.620 8.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -17.843 -3.696 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -16.640 -4.868 7.023 1.00 0.00 H new ATOM 2908 N ALA B 88 -14.029 -0.784 1.010 1.00 0.00 N ATOM 2909 CA ALA B 88 -14.458 0.417 0.273 1.00 0.00 C ATOM 2910 C ALA B 88 -14.783 -0.050 -1.142 1.00 0.00 C ATOM 2911 O ALA B 88 -15.734 0.381 -1.768 1.00 0.00 O ATOM 2912 CB ALA B 88 -13.248 1.354 0.287 1.00 0.00 C ATOM 0 H ALA B 88 -13.063 -0.781 1.338 1.00 0.00 H new ATOM 0 HA ALA B 88 -15.326 0.926 0.691 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -13.493 2.273 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -12.983 1.591 1.317 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -12.404 0.866 -0.201 1.00 0.00 H new ATOM 2918 N ALA B 89 -13.999 -0.978 -1.629 1.00 0.00 N ATOM 2919 CA ALA B 89 -14.239 -1.523 -2.991 1.00 0.00 C ATOM 2920 C ALA B 89 -15.661 -2.058 -3.074 1.00 0.00 C ATOM 2921 O ALA B 89 -16.368 -1.813 -4.033 1.00 0.00 O ATOM 2922 CB ALA B 89 -13.204 -2.634 -3.168 1.00 0.00 C ATOM 0 H ALA B 89 -13.201 -1.380 -1.137 1.00 0.00 H new ATOM 0 HA ALA B 89 -14.138 -0.774 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -13.319 -3.085 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -12.202 -2.216 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -13.352 -3.394 -2.401 1.00 0.00 H new ATOM 2928 N GLU B 90 -16.106 -2.742 -2.056 1.00 0.00 N ATOM 2929 CA GLU B 90 -17.509 -3.233 -2.065 1.00 0.00 C ATOM 2930 C GLU B 90 -18.415 -2.026 -2.304 1.00 0.00 C ATOM 2931 O GLU B 90 -19.461 -2.120 -2.918 1.00 0.00 O ATOM 2932 CB GLU B 90 -17.744 -3.824 -0.671 1.00 0.00 C ATOM 2933 CG GLU B 90 -18.371 -5.214 -0.801 1.00 0.00 C ATOM 2934 CD GLU B 90 -19.884 -5.115 -0.601 1.00 0.00 C ATOM 2935 OE1 GLU B 90 -20.295 -4.516 0.379 1.00 0.00 O ATOM 2936 OE2 GLU B 90 -20.606 -5.640 -1.433 1.00 0.00 O ATOM 0 H GLU B 90 -15.563 -2.980 -1.226 1.00 0.00 H new ATOM 0 HA GLU B 90 -17.709 -3.978 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -16.801 -3.889 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -18.399 -3.171 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -18.150 -5.633 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -17.940 -5.889 -0.062 1.00 0.00 H new ATOM 2943 N GLY B 91 -17.990 -0.883 -1.828 1.00 0.00 N ATOM 2944 CA GLY B 91 -18.787 0.361 -2.024 1.00 0.00 C ATOM 2945 C GLY B 91 -18.721 0.814 -3.495 1.00 0.00 C ATOM 2946 O GLY B 91 -19.628 1.457 -3.985 1.00 0.00 O ATOM 0 H GLY B 91 -17.120 -0.760 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY B 91 -19.824 0.185 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY B 91 -18.406 1.151 -1.376 1.00 0.00 H new ATOM 2950 N LEU B 92 -17.658 0.497 -4.207 1.00 0.00 N ATOM 2951 CA LEU B 92 -17.560 0.930 -5.640 1.00 0.00 C ATOM 2952 C LEU B 92 -18.525 0.148 -6.534 1.00 0.00 C ATOM 2953 O LEU B 92 -18.435 0.213 -7.743 1.00 0.00 O ATOM 2954 CB LEU B 92 -16.104 0.630 -6.040 1.00 0.00 C ATOM 2955 CG LEU B 92 -15.958 -0.797 -6.599 1.00 0.00 C ATOM 2956 CD1 LEU B 92 -16.023 -0.761 -8.130 1.00 0.00 C ATOM 2957 CD2 LEU B 92 -14.608 -1.379 -6.164 1.00 0.00 C ATOM 0 H LEU B 92 -16.862 -0.038 -3.859 1.00 0.00 H new ATOM 0 HA LEU B 92 -17.824 1.981 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -15.775 1.351 -6.788 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -15.455 0.751 -5.173 1.00 0.00 H new ATOM 0 HG LEU B 92 -16.767 -1.418 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -15.919 -1.773 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -16.981 -0.346 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -15.215 -0.138 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -14.503 -2.389 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -13.802 -0.754 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -14.558 -1.408 -5.076 1.00 0.00 H new ATOM 2969 N LYS B 93 -19.416 -0.623 -5.967 1.00 0.00 N ATOM 2970 CA LYS B 93 -20.329 -1.437 -6.822 1.00 0.00 C ATOM 2971 C LYS B 93 -19.446 -2.373 -7.644 1.00 0.00 C ATOM 2972 O LYS B 93 -19.653 -2.595 -8.825 1.00 0.00 O ATOM 2973 CB LYS B 93 -21.087 -0.449 -7.723 1.00 0.00 C ATOM 2974 CG LYS B 93 -21.712 0.658 -6.869 1.00 0.00 C ATOM 2975 CD LYS B 93 -22.784 0.056 -5.958 1.00 0.00 C ATOM 2976 CE LYS B 93 -23.399 1.160 -5.096 1.00 0.00 C ATOM 2977 NZ LYS B 93 -24.362 1.856 -5.994 1.00 0.00 N ATOM 0 H LYS B 93 -19.550 -0.724 -4.961 1.00 0.00 H new ATOM 0 HA LYS B 93 -21.047 -2.029 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -20.406 -0.015 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -21.863 -0.973 -8.280 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -20.944 1.148 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -22.152 1.422 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -23.557 -0.426 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -22.346 -0.714 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -23.902 0.745 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -22.636 1.846 -4.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -24.175 2.879 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -24.251 1.500 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -25.333 1.676 -5.668 1.00 0.00 H new ATOM 2991 N TYR B 94 -18.435 -2.898 -7.001 1.00 0.00 N ATOM 2992 CA TYR B 94 -17.474 -3.809 -7.681 1.00 0.00 C ATOM 2993 C TYR B 94 -18.214 -4.793 -8.602 1.00 0.00 C ATOM 2994 O TYR B 94 -17.694 -5.203 -9.622 1.00 0.00 O ATOM 2995 CB TYR B 94 -16.741 -4.512 -6.538 1.00 0.00 C ATOM 2996 CG TYR B 94 -17.413 -5.806 -6.197 1.00 0.00 C ATOM 2997 CD1 TYR B 94 -18.483 -5.830 -5.302 1.00 0.00 C ATOM 2998 CD2 TYR B 94 -16.960 -6.980 -6.793 1.00 0.00 C ATOM 2999 CE1 TYR B 94 -19.109 -7.046 -5.006 1.00 0.00 C ATOM 3000 CE2 TYR B 94 -17.578 -8.198 -6.500 1.00 0.00 C ATOM 3001 CZ TYR B 94 -18.656 -8.234 -5.605 1.00 0.00 C ATOM 3002 OH TYR B 94 -19.272 -9.435 -5.315 1.00 0.00 O ATOM 0 H TYR B 94 -18.234 -2.729 -6.015 1.00 0.00 H new ATOM 0 HA TYR B 94 -16.776 -3.284 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR B 94 -15.705 -4.698 -6.823 1.00 0.00 H new ATOM 0 HB3 TYR B 94 -16.719 -3.865 -5.661 1.00 0.00 H new ATOM 0 HD1 TYR B 94 -18.826 -4.916 -4.841 1.00 0.00 H new ATOM 0 HD2 TYR B 94 -16.130 -6.949 -7.483 1.00 0.00 H new ATOM 0 HE1 TYR B 94 -19.940 -7.072 -4.317 1.00 0.00 H new ATOM 0 HE2 TYR B 94 -17.226 -9.109 -6.962 1.00 0.00 H new ATOM 0 HH TYR B 94 -18.835 -10.156 -5.815 1.00 0.00 H new ATOM 3012 N GLU B 95 -19.432 -5.148 -8.270 1.00 0.00 N ATOM 3013 CA GLU B 95 -20.198 -6.073 -9.158 1.00 0.00 C ATOM 3014 C GLU B 95 -20.331 -5.424 -10.531 1.00 0.00 C ATOM 3015 O GLU B 95 -20.050 -6.027 -11.548 1.00 0.00 O ATOM 3016 CB GLU B 95 -21.573 -6.239 -8.513 1.00 0.00 C ATOM 3017 CG GLU B 95 -21.426 -6.893 -7.137 1.00 0.00 C ATOM 3018 CD GLU B 95 -21.627 -5.842 -6.044 1.00 0.00 C ATOM 3019 OE1 GLU B 95 -20.952 -4.828 -6.095 1.00 0.00 O ATOM 3020 OE2 GLU B 95 -22.454 -6.070 -5.176 1.00 0.00 O ATOM 0 H GLU B 95 -19.923 -4.840 -7.431 1.00 0.00 H new ATOM 0 HA GLU B 95 -19.708 -7.039 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -22.058 -5.268 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -22.212 -6.851 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -22.157 -7.694 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -20.439 -7.346 -7.042 1.00 0.00 H new ATOM 3027 N ASP B 96 -20.722 -4.175 -10.557 1.00 0.00 N ATOM 3028 CA ASP B 96 -20.830 -3.458 -11.858 1.00 0.00 C ATOM 3029 C ASP B 96 -19.475 -3.545 -12.552 1.00 0.00 C ATOM 3030 O ASP B 96 -19.379 -3.688 -13.756 1.00 0.00 O ATOM 3031 CB ASP B 96 -21.162 -2.008 -11.499 1.00 0.00 C ATOM 3032 CG ASP B 96 -22.639 -1.734 -11.784 1.00 0.00 C ATOM 3033 OD1 ASP B 96 -23.105 -2.143 -12.834 1.00 0.00 O ATOM 3034 OD2 ASP B 96 -23.279 -1.118 -10.947 1.00 0.00 O ATOM 0 H ASP B 96 -20.970 -3.624 -9.735 1.00 0.00 H new ATOM 0 HA ASP B 96 -21.587 -3.874 -12.522 1.00 0.00 H new ATOM 0 HB2 ASP B 96 -20.944 -1.824 -10.447 1.00 0.00 H new ATOM 0 HB3 ASP B 96 -20.537 -1.327 -12.077 1.00 0.00 H new ATOM 3039 N PHE B 97 -18.426 -3.499 -11.775 1.00 0.00 N ATOM 3040 CA PHE B 97 -17.059 -3.621 -12.351 1.00 0.00 C ATOM 3041 C PHE B 97 -16.845 -5.074 -12.781 1.00 0.00 C ATOM 3042 O PHE B 97 -16.128 -5.365 -13.718 1.00 0.00 O ATOM 3043 CB PHE B 97 -16.113 -3.252 -11.206 1.00 0.00 C ATOM 3044 CG PHE B 97 -15.090 -2.252 -11.686 1.00 0.00 C ATOM 3045 CD1 PHE B 97 -15.500 -0.988 -12.127 1.00 0.00 C ATOM 3046 CD2 PHE B 97 -13.731 -2.588 -11.684 1.00 0.00 C ATOM 3047 CE1 PHE B 97 -14.549 -0.061 -12.568 1.00 0.00 C ATOM 3048 CE2 PHE B 97 -12.781 -1.660 -12.125 1.00 0.00 C ATOM 3049 CZ PHE B 97 -13.190 -0.396 -12.567 1.00 0.00 C ATOM 0 H PHE B 97 -18.459 -3.382 -10.762 1.00 0.00 H new ATOM 0 HA PHE B 97 -16.896 -2.984 -13.220 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -16.680 -2.834 -10.374 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -15.613 -4.146 -10.833 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -16.548 -0.729 -12.127 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -13.416 -3.563 -11.342 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -14.864 0.914 -12.909 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -11.732 -1.919 -12.124 1.00 0.00 H new ATOM 0 HZ PHE B 97 -12.457 0.320 -12.907 1.00 0.00 H new