USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1666 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.0344 (180deg=0.0318) USER MOD Single : A 7 THR OG1 : rot 88:sc= 0.814 USER MOD Single : A 12 SER OG : rot 70:sc= 1.01 USER MOD Single : A 15 THR OG1 : rot 71:sc= 1.03 USER MOD Single : A 18 THR OG1 : rot -126:sc= 0.713 USER MOD Single : A 19 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.0848 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 150:sc=-0.00474 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 78:sc= 0.292 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.7) USER MOD Single : A 48 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.37) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00492) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 176:sc= 0 (180deg=-0.00975) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 67 GLN : amide:sc= -0.0364 K(o=-0.036,f=-0.92) USER MOD Single : A 69 SER OG : rot -47:sc= 0.408 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= 0.587 F(o=0,f=0.59) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0681 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0045) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.392 (180deg=0.345) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= -0.142 (180deg=-0.191) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 164:sc= 0.11 (180deg=-0.0619) USER MOD Single : B 7 THR OG1 : rot 103:sc= 1.02 USER MOD Single : B 12 SER OG : rot 69:sc= 0.0521 USER MOD Single : B 15 THR OG1 : rot 79:sc= 1.25 USER MOD Single : B 18 THR OG1 : rot -75:sc= 1.12 USER MOD Single : B 19 THR OG1 : rot 82:sc= 0.944 USER MOD Single : B 22 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot -52:sc= 0.241 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 72:sc= 0.458 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ -172:sc= 0.458 (180deg=0.45) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -158:sc= 0.324 (180deg=0.104) USER MOD Single : B 62 SER OG : rot 94:sc= 0.0748 USER MOD Single : B 66 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : B 67 GLN : amide:sc= -0.0581 K(o=-0.058,f=-3.1!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN :FLIP amide:sc= 1.07 F(o=-0.15,f=1.1) USER MOD Single : B 76 TYR OH : rot 180:sc= -0.364 USER MOD Single : B 85 LYS NZ :NH3+ 164:sc= -0.0295 (180deg=-0.474) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 147:sc= 0.86 (180deg=0.343) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 169:sc=-0.00314 (180deg=-0.1) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.910 17.370 7.500 1.00 1.04 N ATOM 2 CA MET A 1 7.359 15.996 7.121 1.00 0.91 C ATOM 3 C MET A 1 7.696 15.148 8.362 1.00 0.73 C ATOM 4 O MET A 1 8.866 14.912 8.685 1.00 0.96 O ATOM 5 CB MET A 1 8.534 16.038 6.108 1.00 1.31 C ATOM 6 CG MET A 1 9.645 17.047 6.420 1.00 1.57 C ATOM 7 SD MET A 1 10.907 17.118 5.124 1.00 2.18 S ATOM 8 CE MET A 1 11.954 18.443 5.718 1.00 2.71 C ATOM 0 H1 MET A 1 6.708 17.919 6.640 1.00 1.04 H new ATOM 0 H2 MET A 1 6.049 17.306 8.080 1.00 1.04 H new ATOM 0 H3 MET A 1 7.660 17.843 8.044 1.00 1.04 H new ATOM 0 HA MET A 1 6.524 15.507 6.619 1.00 0.91 H new ATOM 0 HB2 MET A 1 8.977 15.044 6.052 1.00 1.31 H new ATOM 0 HB3 MET A 1 8.131 16.263 5.121 1.00 1.31 H new ATOM 0 HG2 MET A 1 9.206 18.036 6.549 1.00 1.57 H new ATOM 0 HG3 MET A 1 10.116 16.782 7.366 1.00 1.57 H new ATOM 0 HE1 MET A 1 12.776 18.599 5.019 1.00 2.71 H new ATOM 0 HE2 MET A 1 11.369 19.359 5.801 1.00 2.71 H new ATOM 0 HE3 MET A 1 12.355 18.179 6.696 1.00 2.71 H new ATOM 20 N ALA A 2 6.634 14.701 9.057 1.00 0.77 N ATOM 21 CA ALA A 2 6.747 13.863 10.257 1.00 0.71 C ATOM 22 C ALA A 2 5.529 12.934 10.371 1.00 0.59 C ATOM 23 O ALA A 2 4.394 13.377 10.174 1.00 0.68 O ATOM 24 CB ALA A 2 6.873 14.736 11.501 1.00 1.02 C ATOM 0 H ALA A 2 5.671 14.914 8.798 1.00 0.77 H new ATOM 0 HA ALA A 2 7.644 13.249 10.174 1.00 0.71 H new ATOM 0 HB1 ALA A 2 6.956 14.102 12.384 1.00 1.02 H new ATOM 0 HB2 ALA A 2 7.762 15.361 11.418 1.00 1.02 H new ATOM 0 HB3 ALA A 2 5.991 15.370 11.591 1.00 1.02 H new ATOM 30 N ALA A 3 5.767 11.647 10.685 1.00 0.56 N ATOM 31 CA ALA A 3 4.681 10.660 10.816 1.00 0.54 C ATOM 32 C ALA A 3 4.139 10.627 12.258 1.00 0.55 C ATOM 33 O ALA A 3 4.818 10.142 13.168 1.00 0.70 O ATOM 34 CB ALA A 3 5.160 9.278 10.371 1.00 0.66 C ATOM 0 H ALA A 3 6.699 11.268 10.852 1.00 0.56 H new ATOM 0 HA ALA A 3 3.861 10.960 10.164 1.00 0.54 H new ATOM 0 HB1 ALA A 3 4.346 8.560 10.474 1.00 0.66 H new ATOM 0 HB2 ALA A 3 5.477 9.321 9.329 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.999 8.966 10.993 1.00 0.66 H new ATOM 40 N GLU A 4 2.906 11.151 12.453 1.00 0.52 N ATOM 41 CA GLU A 4 2.260 11.206 13.781 1.00 0.55 C ATOM 42 C GLU A 4 1.077 10.211 13.861 1.00 0.52 C ATOM 43 O GLU A 4 0.327 10.083 12.886 1.00 0.50 O ATOM 44 CB GLU A 4 1.771 12.648 14.061 1.00 0.61 C ATOM 45 CG GLU A 4 1.394 12.923 15.519 1.00 0.74 C ATOM 46 CD GLU A 4 0.843 14.325 15.730 1.00 0.86 C ATOM 47 OE1 GLU A 4 1.650 15.275 15.819 1.00 1.02 O ATOM 48 OE2 GLU A 4 -0.396 14.471 15.801 1.00 0.94 O ATOM 0 H GLU A 4 2.338 11.543 11.702 1.00 0.52 H new ATOM 0 HA GLU A 4 2.991 10.920 14.538 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.553 13.347 13.764 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.905 12.852 13.431 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.651 12.193 15.842 1.00 0.74 H new ATOM 0 HG3 GLU A 4 2.272 12.784 16.149 1.00 0.74 H new ATOM 55 N PRO A 5 0.878 9.483 15.017 1.00 0.57 N ATOM 56 CA PRO A 5 -0.236 8.518 15.172 1.00 0.59 C ATOM 57 C PRO A 5 -1.626 9.176 15.096 1.00 0.53 C ATOM 58 O PRO A 5 -1.855 10.219 15.716 1.00 0.59 O ATOM 59 CB PRO A 5 -0.017 7.905 16.569 1.00 0.74 C ATOM 60 CG PRO A 5 1.399 8.212 16.915 1.00 0.73 C ATOM 61 CD PRO A 5 1.714 9.520 16.245 1.00 0.67 C ATOM 0 HA PRO A 5 -0.226 7.787 14.364 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -0.703 8.335 17.299 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.195 6.830 16.559 1.00 0.74 H new ATOM 0 HG2 PRO A 5 1.530 8.285 17.995 1.00 0.73 H new ATOM 0 HG3 PRO A 5 2.066 7.424 16.566 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.460 10.369 16.880 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.774 9.606 16.008 1.00 0.67 H new ATOM 69 N LEU A 6 -2.542 8.550 14.327 1.00 0.58 N ATOM 70 CA LEU A 6 -3.921 9.046 14.146 1.00 0.67 C ATOM 71 C LEU A 6 -4.932 7.863 14.295 1.00 0.71 C ATOM 72 O LEU A 6 -4.757 7.039 15.202 1.00 1.19 O ATOM 73 CB LEU A 6 -4.026 9.776 12.778 1.00 0.84 C ATOM 74 CG LEU A 6 -3.095 11.001 12.575 1.00 0.91 C ATOM 75 CD1 LEU A 6 -3.084 11.438 11.108 1.00 1.14 C ATOM 76 CD2 LEU A 6 -3.510 12.175 13.473 1.00 1.03 C ATOM 0 H LEU A 6 -2.346 7.689 13.816 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.177 9.772 14.918 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -3.817 9.054 11.989 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.057 10.105 12.645 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.087 10.696 12.858 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -2.425 12.298 10.989 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -2.725 10.617 10.487 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -4.094 11.710 10.802 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -2.837 13.016 13.306 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -4.531 12.473 13.233 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -3.457 11.870 14.518 1.00 1.03 H new ATOM 88 N THR A 7 -5.976 7.764 13.423 1.00 0.52 N ATOM 89 CA THR A 7 -6.993 6.676 13.487 1.00 0.52 C ATOM 90 C THR A 7 -6.341 5.279 13.296 1.00 0.49 C ATOM 91 O THR A 7 -5.179 5.197 12.913 1.00 0.56 O ATOM 92 CB THR A 7 -8.105 6.904 12.407 1.00 0.58 C ATOM 93 OG1 THR A 7 -8.312 8.311 12.216 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.444 6.268 12.792 1.00 0.94 C ATOM 0 H THR A 7 -6.134 8.428 12.665 1.00 0.52 H new ATOM 0 HA THR A 7 -7.447 6.704 14.477 1.00 0.52 H new ATOM 0 HB THR A 7 -7.755 6.428 11.491 1.00 0.58 H new ATOM 0 HG1 THR A 7 -7.691 8.643 11.534 1.00 0.98 H new ATOM 0 HG21 THR A 7 -10.176 6.458 12.007 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.314 5.193 12.915 1.00 0.94 H new ATOM 0 HG23 THR A 7 -9.796 6.700 13.729 1.00 0.94 H new ATOM 102 N GLU A 8 -7.093 4.189 13.576 1.00 0.51 N ATOM 103 CA GLU A 8 -6.581 2.799 13.442 1.00 0.50 C ATOM 104 C GLU A 8 -5.985 2.504 12.043 1.00 0.46 C ATOM 105 O GLU A 8 -4.920 1.888 11.952 1.00 0.48 O ATOM 106 CB GLU A 8 -7.692 1.775 13.773 1.00 0.55 C ATOM 107 CG GLU A 8 -7.183 0.355 14.021 1.00 0.91 C ATOM 108 CD GLU A 8 -8.293 -0.615 14.393 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.646 -0.679 15.590 1.00 1.42 O ATOM 110 OE2 GLU A 8 -8.805 -1.304 13.487 1.00 1.14 O ATOM 0 H GLU A 8 -8.060 4.243 13.897 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.768 2.701 14.161 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.232 2.115 14.657 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.408 1.754 12.951 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.677 -0.006 13.125 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.442 0.375 14.820 1.00 0.91 H new ATOM 117 N LEU A 9 -6.675 2.934 10.965 1.00 0.45 N ATOM 118 CA LEU A 9 -6.188 2.708 9.584 1.00 0.44 C ATOM 119 C LEU A 9 -5.044 3.676 9.229 1.00 0.42 C ATOM 120 O LEU A 9 -4.112 3.295 8.515 1.00 0.43 O ATOM 121 CB LEU A 9 -7.339 2.830 8.558 1.00 0.48 C ATOM 122 CG LEU A 9 -8.500 1.815 8.723 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.645 2.134 7.765 1.00 0.65 C ATOM 124 CD2 LEU A 9 -8.020 0.372 8.512 1.00 0.65 C ATOM 0 H LEU A 9 -7.562 3.435 11.021 1.00 0.45 H new ATOM 0 HA LEU A 9 -5.798 1.691 9.539 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -7.751 3.837 8.620 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -6.922 2.717 7.557 1.00 0.48 H new ATOM 0 HG LEU A 9 -8.865 1.905 9.746 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.446 1.408 7.901 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -10.024 3.135 7.971 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.284 2.088 6.738 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -8.859 -0.312 8.635 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -7.611 0.268 7.507 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.248 0.135 9.244 1.00 0.65 H new ATOM 136 N GLU A 10 -5.125 4.929 9.734 1.00 0.42 N ATOM 137 CA GLU A 10 -4.080 5.953 9.501 1.00 0.44 C ATOM 138 C GLU A 10 -2.813 5.653 10.338 1.00 0.44 C ATOM 139 O GLU A 10 -1.703 5.992 9.924 1.00 0.48 O ATOM 140 CB GLU A 10 -4.610 7.369 9.827 1.00 0.49 C ATOM 141 CG GLU A 10 -5.904 7.748 9.097 1.00 0.54 C ATOM 142 CD GLU A 10 -6.368 9.171 9.389 1.00 0.63 C ATOM 143 OE1 GLU A 10 -6.355 9.578 10.572 1.00 0.96 O ATOM 144 OE2 GLU A 10 -6.763 9.872 8.436 1.00 1.03 O ATOM 0 H GLU A 10 -5.904 5.255 10.306 1.00 0.42 H new ATOM 0 HA GLU A 10 -3.813 5.918 8.445 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -4.780 7.441 10.901 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -3.840 8.098 9.576 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -5.753 7.636 8.023 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -6.692 7.051 9.383 1.00 0.54 H new ATOM 151 N GLU A 11 -2.996 5.014 11.520 1.00 0.44 N ATOM 152 CA GLU A 11 -1.879 4.639 12.410 1.00 0.46 C ATOM 153 C GLU A 11 -1.137 3.406 11.855 1.00 0.45 C ATOM 154 O GLU A 11 0.064 3.256 12.092 1.00 0.47 O ATOM 155 CB GLU A 11 -2.384 4.373 13.851 1.00 0.52 C ATOM 156 CG GLU A 11 -1.275 4.110 14.881 1.00 0.61 C ATOM 157 CD GLU A 11 -1.798 3.972 16.304 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.685 3.123 16.536 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.311 4.707 17.189 1.00 0.79 O ATOM 0 H GLU A 11 -3.914 4.748 11.877 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.179 5.474 12.448 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -2.971 5.231 14.180 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -3.056 3.515 13.833 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.742 3.200 14.607 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.553 4.926 14.844 1.00 0.61 H new ATOM 166 N SER A 12 -1.860 2.526 11.115 1.00 0.45 N ATOM 167 CA SER A 12 -1.261 1.324 10.501 1.00 0.47 C ATOM 168 C SER A 12 -0.183 1.722 9.473 1.00 0.44 C ATOM 169 O SER A 12 0.938 1.211 9.522 1.00 0.49 O ATOM 170 CB SER A 12 -2.340 0.457 9.830 1.00 0.52 C ATOM 171 OG SER A 12 -3.246 -0.063 10.790 1.00 0.63 O ATOM 0 H SER A 12 -2.858 2.631 10.932 1.00 0.45 H new ATOM 0 HA SER A 12 -0.792 0.739 11.292 1.00 0.47 H new ATOM 0 HB2 SER A 12 -2.884 1.051 9.096 1.00 0.52 H new ATOM 0 HB3 SER A 12 -1.868 -0.363 9.289 1.00 0.52 H new ATOM 0 HG SER A 12 -3.792 0.665 11.152 1.00 0.63 H new ATOM 177 N ILE A 13 -0.535 2.650 8.552 1.00 0.42 N ATOM 178 CA ILE A 13 0.410 3.151 7.523 1.00 0.43 C ATOM 179 C ILE A 13 1.487 4.088 8.129 1.00 0.41 C ATOM 180 O ILE A 13 2.510 4.341 7.494 1.00 0.46 O ATOM 181 CB ILE A 13 -0.313 3.854 6.309 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.297 4.989 6.740 1.00 0.46 C ATOM 183 CG2 ILE A 13 -1.047 2.807 5.462 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.658 6.356 6.937 1.00 0.44 C ATOM 0 H ILE A 13 -1.464 3.067 8.500 1.00 0.42 H new ATOM 0 HA ILE A 13 0.908 2.264 7.131 1.00 0.43 H new ATOM 0 HB ILE A 13 0.466 4.336 5.718 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -2.080 5.076 5.986 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.782 4.694 7.671 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -1.544 3.299 4.626 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -0.330 2.080 5.081 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.789 2.297 6.076 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.421 7.075 7.235 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.104 6.293 7.714 1.00 0.44 H new ATOM 0 HD13 ILE A 13 -0.198 6.681 6.004 1.00 0.44 H new ATOM 196 N GLU A 14 1.240 4.595 9.361 1.00 0.39 N ATOM 197 CA GLU A 14 2.181 5.474 10.079 1.00 0.40 C ATOM 198 C GLU A 14 3.288 4.642 10.763 1.00 0.41 C ATOM 199 O GLU A 14 4.459 5.031 10.729 1.00 0.44 O ATOM 200 CB GLU A 14 1.401 6.334 11.110 1.00 0.43 C ATOM 201 CG GLU A 14 2.253 7.125 12.116 1.00 0.52 C ATOM 202 CD GLU A 14 2.566 6.343 13.390 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.638 6.119 14.194 1.00 0.93 O ATOM 204 OE2 GLU A 14 3.738 5.957 13.578 1.00 1.00 O ATOM 0 H GLU A 14 0.383 4.404 9.880 1.00 0.39 H new ATOM 0 HA GLU A 14 2.668 6.141 9.367 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.773 7.038 10.564 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.733 5.678 11.668 1.00 0.43 H new ATOM 0 HG2 GLU A 14 3.188 7.417 11.639 1.00 0.52 H new ATOM 0 HG3 GLU A 14 1.730 8.044 12.381 1.00 0.52 H new ATOM 211 N THR A 15 2.901 3.503 11.388 1.00 0.42 N ATOM 212 CA THR A 15 3.850 2.604 12.083 1.00 0.45 C ATOM 213 C THR A 15 4.937 2.061 11.132 1.00 0.43 C ATOM 214 O THR A 15 6.085 1.900 11.549 1.00 0.45 O ATOM 215 CB THR A 15 3.110 1.423 12.779 1.00 0.50 C ATOM 216 OG1 THR A 15 2.008 1.929 13.539 1.00 0.65 O ATOM 217 CG2 THR A 15 4.031 0.639 13.716 1.00 0.77 C ATOM 0 H THR A 15 1.932 3.186 11.424 1.00 0.42 H new ATOM 0 HA THR A 15 4.342 3.205 12.847 1.00 0.45 H new ATOM 0 HB THR A 15 2.765 0.749 11.995 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.305 2.238 12.930 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.472 -0.174 14.179 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.865 0.228 13.147 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.413 1.304 14.491 1.00 0.77 H new ATOM 225 N VAL A 16 4.578 1.795 9.855 1.00 0.41 N ATOM 226 CA VAL A 16 5.552 1.294 8.854 1.00 0.42 C ATOM 227 C VAL A 16 6.635 2.369 8.578 1.00 0.42 C ATOM 228 O VAL A 16 7.782 2.035 8.266 1.00 0.46 O ATOM 229 CB VAL A 16 4.866 0.873 7.501 1.00 0.44 C ATOM 230 CG1 VAL A 16 5.867 0.222 6.534 1.00 0.50 C ATOM 231 CG2 VAL A 16 3.685 -0.073 7.749 1.00 0.49 C ATOM 0 H VAL A 16 3.632 1.917 9.495 1.00 0.41 H new ATOM 0 HA VAL A 16 6.012 0.402 9.278 1.00 0.42 H new ATOM 0 HB VAL A 16 4.492 1.786 7.038 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.355 -0.054 5.612 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.666 0.928 6.308 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.291 -0.670 6.995 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.231 -0.346 6.796 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.039 -0.972 8.254 1.00 0.49 H new ATOM 0 HG23 VAL A 16 2.944 0.426 8.374 1.00 0.49 H new ATOM 241 N VAL A 17 6.249 3.661 8.708 1.00 0.42 N ATOM 242 CA VAL A 17 7.164 4.791 8.493 1.00 0.47 C ATOM 243 C VAL A 17 8.091 5.005 9.721 1.00 0.55 C ATOM 244 O VAL A 17 9.298 4.799 9.614 1.00 0.95 O ATOM 245 CB VAL A 17 6.382 6.122 8.169 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.334 7.291 7.888 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.424 5.932 6.986 1.00 0.52 C ATOM 0 H VAL A 17 5.302 3.940 8.963 1.00 0.42 H new ATOM 0 HA VAL A 17 7.780 4.540 7.629 1.00 0.47 H new ATOM 0 HB VAL A 17 5.799 6.366 9.057 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.754 8.188 7.670 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.961 7.468 8.762 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.965 7.049 7.032 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.900 6.867 6.788 1.00 0.52 H new ATOM 0 HG22 VAL A 17 5.991 5.639 6.102 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.699 5.154 7.226 1.00 0.52 H new ATOM 257 N THR A 18 7.514 5.370 10.890 1.00 0.47 N ATOM 258 CA THR A 18 8.292 5.662 12.131 1.00 0.51 C ATOM 259 C THR A 18 9.257 4.540 12.581 1.00 0.51 C ATOM 260 O THR A 18 10.340 4.844 13.093 1.00 0.60 O ATOM 261 CB THR A 18 7.365 5.989 13.340 1.00 0.56 C ATOM 262 OG1 THR A 18 6.457 4.903 13.580 1.00 0.57 O ATOM 263 CG2 THR A 18 6.575 7.280 13.125 1.00 0.62 C ATOM 0 H THR A 18 6.506 5.472 11.006 1.00 0.47 H new ATOM 0 HA THR A 18 8.890 6.527 11.844 1.00 0.51 H new ATOM 0 HB THR A 18 8.008 6.130 14.209 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.537 5.241 13.584 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.943 7.468 13.993 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.267 8.112 12.993 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.952 7.181 12.236 1.00 0.62 H new ATOM 271 N THR A 19 8.875 3.260 12.396 1.00 0.49 N ATOM 272 CA THR A 19 9.716 2.121 12.842 1.00 0.53 C ATOM 273 C THR A 19 11.041 1.983 12.058 1.00 0.53 C ATOM 274 O THR A 19 12.079 1.722 12.673 1.00 0.62 O ATOM 275 CB THR A 19 8.939 0.769 12.783 1.00 0.55 C ATOM 276 OG1 THR A 19 7.668 0.909 13.436 1.00 0.56 O ATOM 277 CG2 THR A 19 9.713 -0.371 13.458 1.00 0.66 C ATOM 0 H THR A 19 8.001 2.987 11.947 1.00 0.49 H new ATOM 0 HA THR A 19 9.970 2.352 13.877 1.00 0.53 H new ATOM 0 HB THR A 19 8.807 0.520 11.730 1.00 0.55 H new ATOM 0 HG1 THR A 19 6.970 1.058 12.765 1.00 0.56 H new ATOM 0 HG21 THR A 19 9.134 -1.292 13.393 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.671 -0.508 12.956 1.00 0.66 H new ATOM 0 HG23 THR A 19 9.885 -0.124 14.506 1.00 0.66 H new ATOM 285 N PHE A 20 11.012 2.151 10.717 1.00 0.53 N ATOM 286 CA PHE A 20 12.233 1.994 9.893 1.00 0.57 C ATOM 287 C PHE A 20 12.816 3.325 9.363 1.00 0.57 C ATOM 288 O PHE A 20 13.995 3.353 8.999 1.00 0.89 O ATOM 289 CB PHE A 20 11.978 1.014 8.728 1.00 0.64 C ATOM 290 CG PHE A 20 13.252 0.496 8.079 1.00 0.71 C ATOM 291 CD1 PHE A 20 14.111 -0.350 8.778 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.597 0.867 6.784 1.00 0.76 C ATOM 293 CE1 PHE A 20 15.276 -0.811 8.198 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.764 0.405 6.205 1.00 0.86 C ATOM 295 CZ PHE A 20 15.602 -0.434 6.911 1.00 0.93 C ATOM 0 H PHE A 20 10.173 2.391 10.189 1.00 0.53 H new ATOM 0 HA PHE A 20 12.990 1.584 10.562 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.398 0.168 9.096 1.00 0.64 H new ATOM 0 HB3 PHE A 20 11.371 1.512 7.972 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.862 -0.649 9.786 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.946 1.523 6.225 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.932 -1.467 8.751 1.00 0.95 H new ATOM 0 HE2 PHE A 20 15.020 0.701 5.199 1.00 0.86 H new ATOM 0 HZ PHE A 20 16.513 -0.795 6.457 1.00 0.93 H new ATOM 305 N PHE A 21 12.027 4.421 9.318 1.00 0.71 N ATOM 306 CA PHE A 21 12.543 5.720 8.809 1.00 0.73 C ATOM 307 C PHE A 21 13.617 6.336 9.736 1.00 0.66 C ATOM 308 O PHE A 21 14.387 7.186 9.285 1.00 0.67 O ATOM 309 CB PHE A 21 11.404 6.739 8.555 1.00 1.04 C ATOM 310 CG PHE A 21 10.728 6.612 7.196 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.253 5.386 6.732 1.00 1.97 C ATOM 312 CD2 PHE A 21 10.563 7.730 6.382 1.00 2.34 C ATOM 313 CE1 PHE A 21 9.636 5.285 5.499 1.00 2.74 C ATOM 314 CE2 PHE A 21 9.946 7.627 5.149 1.00 3.02 C ATOM 315 CZ PHE A 21 9.482 6.406 4.709 1.00 3.17 C ATOM 0 H PHE A 21 11.053 4.439 9.619 1.00 0.71 H new ATOM 0 HA PHE A 21 13.019 5.496 7.854 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.650 6.622 9.333 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.808 7.747 8.652 1.00 1.04 H new ATOM 0 HD1 PHE A 21 10.369 4.504 7.344 1.00 1.97 H new ATOM 0 HD2 PHE A 21 10.922 8.691 6.719 1.00 2.34 H new ATOM 0 HE1 PHE A 21 9.274 4.328 5.154 1.00 2.74 H new ATOM 0 HE2 PHE A 21 9.828 8.504 4.530 1.00 3.02 H new ATOM 0 HZ PHE A 21 8.998 6.327 3.747 1.00 3.17 H new ATOM 325 N THR A 22 13.665 5.920 11.024 1.00 0.75 N ATOM 326 CA THR A 22 14.679 6.425 11.978 1.00 0.89 C ATOM 327 C THR A 22 16.106 5.999 11.548 1.00 0.82 C ATOM 328 O THR A 22 17.064 6.749 11.746 1.00 0.97 O ATOM 329 CB THR A 22 14.391 5.937 13.435 1.00 1.11 C ATOM 330 OG1 THR A 22 13.036 6.250 13.805 1.00 1.25 O ATOM 331 CG2 THR A 22 15.351 6.565 14.456 1.00 1.37 C ATOM 0 H THR A 22 13.018 5.241 11.424 1.00 0.75 H new ATOM 0 HA THR A 22 14.618 7.513 11.966 1.00 0.89 H new ATOM 0 HB THR A 22 14.543 4.858 13.447 1.00 1.11 H new ATOM 0 HG1 THR A 22 12.426 5.606 13.389 1.00 1.25 H new ATOM 0 HG21 THR A 22 15.113 6.197 15.454 1.00 1.37 H new ATOM 0 HG22 THR A 22 16.377 6.295 14.205 1.00 1.37 H new ATOM 0 HG23 THR A 22 15.246 7.650 14.435 1.00 1.37 H new ATOM 339 N PHE A 23 16.228 4.784 10.967 1.00 0.69 N ATOM 340 CA PHE A 23 17.515 4.245 10.484 1.00 0.76 C ATOM 341 C PHE A 23 17.685 4.428 8.955 1.00 0.69 C ATOM 342 O PHE A 23 18.818 4.472 8.468 1.00 0.82 O ATOM 343 CB PHE A 23 17.638 2.747 10.843 1.00 0.87 C ATOM 344 CG PHE A 23 17.774 2.472 12.332 1.00 1.04 C ATOM 345 CD1 PHE A 23 16.650 2.393 13.146 1.00 1.01 C ATOM 346 CD2 PHE A 23 19.025 2.298 12.914 1.00 1.34 C ATOM 347 CE1 PHE A 23 16.771 2.148 14.498 1.00 1.24 C ATOM 348 CE2 PHE A 23 19.147 2.055 14.269 1.00 1.55 C ATOM 349 CZ PHE A 23 18.018 1.979 15.060 1.00 1.49 C ATOM 0 H PHE A 23 15.439 4.154 10.821 1.00 0.69 H new ATOM 0 HA PHE A 23 18.306 4.808 10.979 1.00 0.76 H new ATOM 0 HB2 PHE A 23 16.760 2.221 10.467 1.00 0.87 H new ATOM 0 HB3 PHE A 23 18.504 2.331 10.328 1.00 0.87 H new ATOM 0 HD1 PHE A 23 15.669 2.525 12.714 1.00 1.01 H new ATOM 0 HD2 PHE A 23 19.912 2.353 12.300 1.00 1.34 H new ATOM 0 HE1 PHE A 23 15.888 2.089 15.117 1.00 1.24 H new ATOM 0 HE2 PHE A 23 20.125 1.925 14.709 1.00 1.55 H new ATOM 0 HZ PHE A 23 18.112 1.787 16.119 1.00 1.49 H new ATOM 359 N ALA A 24 16.566 4.539 8.203 1.00 0.59 N ATOM 360 CA ALA A 24 16.609 4.706 6.730 1.00 0.67 C ATOM 361 C ALA A 24 16.912 6.159 6.291 1.00 0.62 C ATOM 362 O ALA A 24 17.399 6.372 5.178 1.00 0.83 O ATOM 363 CB ALA A 24 15.294 4.234 6.112 1.00 0.82 C ATOM 0 H ALA A 24 15.623 4.516 8.590 1.00 0.59 H new ATOM 0 HA ALA A 24 17.433 4.092 6.368 1.00 0.67 H new ATOM 0 HB1 ALA A 24 15.334 4.360 5.030 1.00 0.82 H new ATOM 0 HB2 ALA A 24 15.138 3.182 6.349 1.00 0.82 H new ATOM 0 HB3 ALA A 24 14.470 4.823 6.515 1.00 0.82 H new ATOM 369 N ARG A 25 16.624 7.148 7.165 1.00 0.61 N ATOM 370 CA ARG A 25 16.859 8.585 6.863 1.00 0.65 C ATOM 371 C ARG A 25 18.360 8.963 6.780 1.00 0.69 C ATOM 372 O ARG A 25 18.695 10.016 6.228 1.00 0.88 O ATOM 373 CB ARG A 25 16.152 9.470 7.918 1.00 0.75 C ATOM 374 CG ARG A 25 16.709 9.334 9.342 1.00 0.78 C ATOM 375 CD ARG A 25 15.961 10.217 10.340 1.00 0.97 C ATOM 376 NE ARG A 25 16.526 10.146 11.699 1.00 1.09 N ATOM 377 CZ ARG A 25 16.154 10.937 12.731 1.00 1.32 C ATOM 378 NH1 ARG A 25 15.166 11.836 12.600 1.00 1.55 N ATOM 379 NH2 ARG A 25 16.769 10.814 13.910 1.00 1.47 N ATOM 0 H ARG A 25 16.227 6.981 8.090 1.00 0.61 H new ATOM 0 HA ARG A 25 16.438 8.764 5.874 1.00 0.65 H new ATOM 0 HB2 ARG A 25 16.230 10.513 7.610 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.091 9.220 7.931 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.642 8.293 9.659 1.00 0.78 H new ATOM 0 HG3 ARG A 25 17.766 9.601 9.344 1.00 0.78 H new ATOM 0 HD2 ARG A 25 15.986 11.250 9.994 1.00 0.97 H new ATOM 0 HD3 ARG A 25 14.914 9.917 10.370 1.00 0.97 H new ATOM 0 HE ARG A 25 17.250 9.450 11.874 1.00 1.09 H new ATOM 0 HH11 ARG A 25 14.679 11.933 11.709 1.00 1.55 H new ATOM 0 HH12 ARG A 25 14.902 12.422 13.392 1.00 1.55 H new ATOM 0 HH21 ARG A 25 17.514 10.127 14.027 1.00 1.47 H new ATOM 0 HH22 ARG A 25 16.494 11.407 14.693 1.00 1.47 H new ATOM 393 N GLN A 26 19.249 8.109 7.324 1.00 0.73 N ATOM 394 CA GLN A 26 20.703 8.375 7.338 1.00 0.84 C ATOM 395 C GLN A 26 21.351 8.319 5.932 1.00 0.78 C ATOM 396 O GLN A 26 22.355 9.001 5.704 1.00 0.89 O ATOM 397 CB GLN A 26 21.409 7.371 8.278 1.00 1.01 C ATOM 398 CG GLN A 26 22.800 7.807 8.744 1.00 1.22 C ATOM 399 CD GLN A 26 23.451 6.801 9.687 1.00 1.49 C ATOM 400 OE1 GLN A 26 24.150 5.892 9.242 1.00 1.63 O ATOM 401 NE2 GLN A 26 23.232 6.953 10.997 1.00 1.80 N ATOM 0 H GLN A 26 18.985 7.226 7.761 1.00 0.73 H new ATOM 0 HA GLN A 26 20.831 9.394 7.702 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.781 7.209 9.154 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.495 6.413 7.766 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.441 7.950 7.874 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.724 8.772 9.246 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.647 7.719 11.331 1.00 1.80 H new ATOM 0 HE22 GLN A 26 23.650 6.303 11.663 1.00 1.80 H new ATOM 410 N GLU A 27 20.778 7.521 5.001 1.00 0.70 N ATOM 411 CA GLU A 27 21.337 7.361 3.641 1.00 0.76 C ATOM 412 C GLU A 27 20.366 7.824 2.540 1.00 0.93 C ATOM 413 O GLU A 27 19.214 7.379 2.501 1.00 1.59 O ATOM 414 CB GLU A 27 21.706 5.883 3.402 1.00 0.92 C ATOM 415 CG GLU A 27 22.804 5.339 4.316 1.00 1.09 C ATOM 416 CD GLU A 27 24.167 5.965 4.053 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.472 7.007 4.674 1.00 1.46 O ATOM 418 OE2 GLU A 27 24.923 5.413 3.229 1.00 1.52 O ATOM 0 H GLU A 27 19.930 6.979 5.168 1.00 0.70 H new ATOM 0 HA GLU A 27 22.223 7.994 3.584 1.00 0.76 H new ATOM 0 HB2 GLU A 27 20.811 5.274 3.531 1.00 0.92 H new ATOM 0 HB3 GLU A 27 22.024 5.766 2.366 1.00 0.92 H new ATOM 0 HG2 GLU A 27 22.524 5.516 5.355 1.00 1.09 H new ATOM 0 HG3 GLU A 27 22.876 4.259 4.185 1.00 1.09 H new ATOM 425 N GLY A 28 20.853 8.720 1.644 1.00 0.79 N ATOM 426 CA GLY A 28 20.062 9.227 0.512 1.00 0.92 C ATOM 427 C GLY A 28 18.716 9.835 0.896 1.00 0.73 C ATOM 428 O GLY A 28 17.733 9.104 1.034 1.00 0.72 O ATOM 0 H GLY A 28 21.797 9.103 1.692 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.648 9.980 -0.015 1.00 0.92 H new ATOM 0 HA3 GLY A 28 19.890 8.410 -0.188 1.00 0.92 H new ATOM 432 N ARG A 29 18.669 11.181 1.057 1.00 0.72 N ATOM 433 CA ARG A 29 17.435 11.918 1.434 1.00 0.71 C ATOM 434 C ARG A 29 16.888 11.462 2.809 1.00 0.68 C ATOM 435 O ARG A 29 17.358 10.470 3.378 1.00 0.76 O ATOM 436 CB ARG A 29 16.337 11.799 0.333 1.00 0.73 C ATOM 437 CG ARG A 29 16.376 12.904 -0.730 1.00 0.92 C ATOM 438 CD ARG A 29 17.557 12.756 -1.683 1.00 1.31 C ATOM 439 NE ARG A 29 17.601 13.836 -2.686 1.00 1.46 N ATOM 440 CZ ARG A 29 18.129 15.069 -2.497 1.00 1.91 C ATOM 441 NH1 ARG A 29 18.674 15.426 -1.324 1.00 2.60 N ATOM 442 NH2 ARG A 29 18.114 15.949 -3.501 1.00 2.05 N ATOM 0 H ARG A 29 19.481 11.785 0.930 1.00 0.72 H new ATOM 0 HA ARG A 29 17.710 12.969 1.521 1.00 0.71 H new ATOM 0 HB2 ARG A 29 16.440 10.833 -0.162 1.00 0.73 H new ATOM 0 HB3 ARG A 29 15.358 11.808 0.812 1.00 0.73 H new ATOM 0 HG2 ARG A 29 15.448 12.887 -1.301 1.00 0.92 H new ATOM 0 HG3 ARG A 29 16.430 13.875 -0.238 1.00 0.92 H new ATOM 0 HD2 ARG A 29 18.485 12.755 -1.111 1.00 1.31 H new ATOM 0 HD3 ARG A 29 17.494 11.793 -2.190 1.00 1.31 H new ATOM 0 HE ARG A 29 17.199 13.637 -3.602 1.00 1.46 H new ATOM 0 HH11 ARG A 29 18.697 14.763 -0.550 1.00 2.60 H new ATOM 0 HH12 ARG A 29 19.065 16.361 -1.207 1.00 2.60 H new ATOM 0 HH21 ARG A 29 17.707 15.690 -4.400 1.00 2.05 H new ATOM 0 HH22 ARG A 29 18.509 16.880 -3.369 1.00 2.05 H new ATOM 456 N LYS A 30 15.901 12.209 3.341 1.00 0.67 N ATOM 457 CA LYS A 30 15.289 11.886 4.643 1.00 0.67 C ATOM 458 C LYS A 30 14.193 10.813 4.499 1.00 0.66 C ATOM 459 O LYS A 30 14.298 9.746 5.111 1.00 0.72 O ATOM 460 CB LYS A 30 14.723 13.154 5.317 1.00 0.76 C ATOM 461 CG LYS A 30 15.788 14.161 5.766 1.00 0.82 C ATOM 462 CD LYS A 30 16.602 13.655 6.964 1.00 0.89 C ATOM 463 CE LYS A 30 17.450 14.756 7.601 1.00 1.00 C ATOM 464 NZ LYS A 30 18.573 15.199 6.719 1.00 1.22 N ATOM 0 H LYS A 30 15.512 13.037 2.890 1.00 0.67 H new ATOM 0 HA LYS A 30 16.073 11.479 5.281 1.00 0.67 H new ATOM 0 HB2 LYS A 30 14.044 13.648 4.622 1.00 0.76 H new ATOM 0 HB3 LYS A 30 14.132 12.857 6.184 1.00 0.76 H new ATOM 0 HG2 LYS A 30 16.461 14.369 4.934 1.00 0.82 H new ATOM 0 HG3 LYS A 30 15.306 15.103 6.029 1.00 0.82 H new ATOM 0 HD2 LYS A 30 15.924 13.244 7.712 1.00 0.89 H new ATOM 0 HD3 LYS A 30 17.251 12.842 6.641 1.00 0.89 H new ATOM 0 HE2 LYS A 30 16.815 15.611 7.832 1.00 1.00 H new ATOM 0 HE3 LYS A 30 17.856 14.396 8.547 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.116 15.946 7.197 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 19.197 14.391 6.519 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 18.188 15.569 5.826 1.00 1.22 H new ATOM 478 N ASP A 31 13.147 11.095 3.690 1.00 0.66 N ATOM 479 CA ASP A 31 12.038 10.143 3.476 1.00 0.71 C ATOM 480 C ASP A 31 12.308 9.248 2.247 1.00 0.64 C ATOM 481 O ASP A 31 11.613 9.339 1.228 1.00 0.89 O ATOM 482 CB ASP A 31 10.698 10.898 3.333 1.00 0.87 C ATOM 483 CG ASP A 31 10.264 11.573 4.627 1.00 1.03 C ATOM 484 OD1 ASP A 31 10.656 12.738 4.853 1.00 1.43 O ATOM 485 OD2 ASP A 31 9.533 10.932 5.412 1.00 1.38 O ATOM 0 H ASP A 31 13.049 11.971 3.177 1.00 0.66 H new ATOM 0 HA ASP A 31 11.970 9.493 4.349 1.00 0.71 H new ATOM 0 HB2 ASP A 31 10.791 11.650 2.549 1.00 0.87 H new ATOM 0 HB3 ASP A 31 9.924 10.200 3.015 1.00 0.87 H new ATOM 490 N SER A 32 13.335 8.381 2.365 1.00 0.65 N ATOM 491 CA SER A 32 13.727 7.453 1.288 1.00 0.58 C ATOM 492 C SER A 32 14.555 6.280 1.848 1.00 0.56 C ATOM 493 O SER A 32 15.506 6.499 2.606 1.00 0.63 O ATOM 494 CB SER A 32 14.542 8.190 0.205 1.00 0.58 C ATOM 495 OG SER A 32 14.892 7.327 -0.869 1.00 1.09 O ATOM 0 H SER A 32 13.911 8.306 3.203 1.00 0.65 H new ATOM 0 HA SER A 32 12.815 7.058 0.841 1.00 0.58 H new ATOM 0 HB2 SER A 32 13.962 9.030 -0.178 1.00 0.58 H new ATOM 0 HB3 SER A 32 15.447 8.603 0.649 1.00 0.58 H new ATOM 0 HG SER A 32 14.956 7.846 -1.698 1.00 1.09 H new ATOM 501 N LEU A 33 14.187 5.037 1.471 1.00 0.54 N ATOM 502 CA LEU A 33 14.913 3.829 1.922 1.00 0.54 C ATOM 503 C LEU A 33 16.163 3.600 1.052 1.00 0.52 C ATOM 504 O LEU A 33 16.223 4.072 -0.088 1.00 0.66 O ATOM 505 CB LEU A 33 14.004 2.573 1.887 1.00 0.55 C ATOM 506 CG LEU A 33 13.145 2.321 3.153 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.884 3.189 3.161 1.00 0.76 C ATOM 508 CD2 LEU A 33 12.780 0.837 3.279 1.00 0.75 C ATOM 0 H LEU A 33 13.395 4.843 0.858 1.00 0.54 H new ATOM 0 HA LEU A 33 15.220 3.994 2.955 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.336 2.656 1.029 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.632 1.699 1.718 1.00 0.55 H new ATOM 0 HG LEU A 33 13.747 2.603 4.017 1.00 0.67 H new ATOM 0 HD11 LEU A 33 11.307 2.985 4.063 1.00 0.76 H new ATOM 0 HD12 LEU A 33 12.167 4.242 3.142 1.00 0.76 H new ATOM 0 HD13 LEU A 33 11.279 2.960 2.284 1.00 0.76 H new ATOM 0 HD21 LEU A 33 12.177 0.685 4.175 1.00 0.75 H new ATOM 0 HD22 LEU A 33 12.212 0.526 2.402 1.00 0.75 H new ATOM 0 HD23 LEU A 33 13.691 0.243 3.350 1.00 0.75 H new ATOM 520 N SER A 34 17.162 2.877 1.596 1.00 0.50 N ATOM 521 CA SER A 34 18.404 2.582 0.862 1.00 0.52 C ATOM 522 C SER A 34 18.328 1.189 0.215 1.00 0.47 C ATOM 523 O SER A 34 17.635 0.304 0.729 1.00 0.47 O ATOM 524 CB SER A 34 19.610 2.680 1.811 1.00 0.62 C ATOM 525 OG SER A 34 20.839 2.489 1.124 1.00 0.68 O ATOM 0 H SER A 34 17.131 2.488 2.539 1.00 0.50 H new ATOM 0 HA SER A 34 18.528 3.317 0.066 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.613 3.656 2.296 1.00 0.62 H new ATOM 0 HB3 SER A 34 19.514 1.933 2.599 1.00 0.62 H new ATOM 0 HG SER A 34 21.583 2.560 1.758 1.00 0.68 H new ATOM 531 N VAL A 35 19.044 0.999 -0.914 1.00 0.50 N ATOM 532 CA VAL A 35 19.052 -0.289 -1.646 1.00 0.49 C ATOM 533 C VAL A 35 19.637 -1.458 -0.799 1.00 0.45 C ATOM 534 O VAL A 35 19.260 -2.616 -1.007 1.00 0.46 O ATOM 535 CB VAL A 35 19.815 -0.166 -3.017 1.00 0.59 C ATOM 536 CG1 VAL A 35 21.311 0.121 -2.828 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.601 -1.406 -3.898 1.00 0.64 C ATOM 0 H VAL A 35 19.625 1.721 -1.340 1.00 0.50 H new ATOM 0 HA VAL A 35 18.009 -0.529 -1.850 1.00 0.49 H new ATOM 0 HB VAL A 35 19.385 0.692 -3.534 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.793 0.197 -3.803 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.436 1.059 -2.287 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.768 -0.689 -2.260 1.00 0.63 H new ATOM 0 HG21 VAL A 35 20.143 -1.284 -4.836 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.970 -2.290 -3.378 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.538 -1.525 -4.106 1.00 0.64 H new ATOM 547 N ASN A 36 20.546 -1.146 0.153 1.00 0.45 N ATOM 548 CA ASN A 36 21.185 -2.166 1.009 1.00 0.46 C ATOM 549 C ASN A 36 20.486 -2.306 2.381 1.00 0.44 C ATOM 550 O ASN A 36 20.430 -3.412 2.927 1.00 0.55 O ATOM 551 CB ASN A 36 22.676 -1.820 1.200 1.00 0.55 C ATOM 552 CG ASN A 36 23.511 -2.988 1.726 1.00 0.64 C ATOM 553 OD1 ASN A 36 24.021 -3.794 0.948 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.656 -3.090 3.048 1.00 0.77 N ATOM 0 H ASN A 36 20.853 -0.193 0.346 1.00 0.45 H new ATOM 0 HA ASN A 36 21.089 -3.128 0.505 1.00 0.46 H new ATOM 0 HB2 ASN A 36 23.089 -1.489 0.247 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.761 -0.982 1.892 1.00 0.55 H new ATOM 0 HD21 ASN A 36 24.204 -3.854 3.444 1.00 0.77 H new ATOM 0 HD22 ASN A 36 23.219 -2.404 3.663 1.00 0.77 H new ATOM 561 N GLU A 37 19.957 -1.191 2.933 1.00 0.44 N ATOM 562 CA GLU A 37 19.282 -1.203 4.251 1.00 0.46 C ATOM 563 C GLU A 37 17.932 -1.941 4.206 1.00 0.41 C ATOM 564 O GLU A 37 17.624 -2.706 5.126 1.00 0.43 O ATOM 565 CB GLU A 37 19.091 0.229 4.790 1.00 0.55 C ATOM 566 CG GLU A 37 20.407 0.951 5.092 1.00 0.70 C ATOM 567 CD GLU A 37 20.209 2.280 5.799 1.00 0.83 C ATOM 568 OE1 GLU A 37 19.970 3.290 5.106 1.00 1.25 O ATOM 569 OE2 GLU A 37 20.297 2.311 7.046 1.00 1.54 O ATOM 0 H GLU A 37 19.984 -0.274 2.488 1.00 0.44 H new ATOM 0 HA GLU A 37 19.934 -1.750 4.932 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.526 0.810 4.061 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.491 0.189 5.699 1.00 0.55 H new ATOM 0 HG2 GLU A 37 21.034 0.308 5.709 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.945 1.119 4.159 1.00 0.70 H new ATOM 576 N PHE A 38 17.134 -1.720 3.137 1.00 0.40 N ATOM 577 CA PHE A 38 15.821 -2.392 2.984 1.00 0.39 C ATOM 578 C PHE A 38 15.996 -3.926 2.853 1.00 0.37 C ATOM 579 O PHE A 38 15.141 -4.689 3.307 1.00 0.40 O ATOM 580 CB PHE A 38 15.021 -1.798 1.783 1.00 0.43 C ATOM 581 CG PHE A 38 14.988 -2.643 0.517 1.00 0.41 C ATOM 582 CD1 PHE A 38 16.037 -2.604 -0.395 1.00 0.49 C ATOM 583 CD2 PHE A 38 13.907 -3.478 0.249 1.00 0.50 C ATOM 584 CE1 PHE A 38 16.006 -3.376 -1.542 1.00 0.61 C ATOM 585 CE2 PHE A 38 13.874 -4.248 -0.895 1.00 0.61 C ATOM 586 CZ PHE A 38 14.924 -4.198 -1.792 1.00 0.65 C ATOM 0 H PHE A 38 17.372 -1.088 2.373 1.00 0.40 H new ATOM 0 HA PHE A 38 15.238 -2.204 3.886 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.995 -1.625 2.107 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.446 -0.825 1.535 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.886 -1.963 -0.205 1.00 0.49 H new ATOM 0 HD2 PHE A 38 13.083 -3.524 0.946 1.00 0.50 H new ATOM 0 HE1 PHE A 38 16.827 -3.336 -2.242 1.00 0.61 H new ATOM 0 HE2 PHE A 38 13.028 -4.890 -1.090 1.00 0.61 H new ATOM 0 HZ PHE A 38 14.899 -4.801 -2.688 1.00 0.65 H new ATOM 596 N LYS A 39 17.117 -4.355 2.226 1.00 0.37 N ATOM 597 CA LYS A 39 17.442 -5.786 2.040 1.00 0.40 C ATOM 598 C LYS A 39 17.568 -6.523 3.395 1.00 0.38 C ATOM 599 O LYS A 39 17.148 -7.678 3.512 1.00 0.42 O ATOM 600 CB LYS A 39 18.752 -5.922 1.233 1.00 0.46 C ATOM 601 CG LYS A 39 19.035 -7.325 0.694 1.00 0.55 C ATOM 602 CD LYS A 39 20.390 -7.405 -0.017 1.00 0.64 C ATOM 603 CE LYS A 39 20.718 -8.828 -0.483 1.00 0.76 C ATOM 604 NZ LYS A 39 19.919 -9.241 -1.679 1.00 0.87 N ATOM 0 H LYS A 39 17.816 -3.722 1.838 1.00 0.37 H new ATOM 0 HA LYS A 39 16.624 -6.250 1.489 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.719 -5.227 0.394 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.585 -5.617 1.867 1.00 0.46 H new ATOM 0 HG2 LYS A 39 19.014 -8.040 1.516 1.00 0.55 H new ATOM 0 HG3 LYS A 39 18.245 -7.613 0.001 1.00 0.55 H new ATOM 0 HD2 LYS A 39 20.387 -6.735 -0.877 1.00 0.64 H new ATOM 0 HD3 LYS A 39 21.173 -7.056 0.657 1.00 0.64 H new ATOM 0 HE2 LYS A 39 21.780 -8.893 -0.720 1.00 0.76 H new ATOM 0 HE3 LYS A 39 20.530 -9.526 0.333 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 20.179 -10.210 -1.953 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 18.906 -9.207 -1.448 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 20.116 -8.594 -2.469 1.00 0.87 H new ATOM 618 N GLU A 40 18.147 -5.844 4.414 1.00 0.38 N ATOM 619 CA GLU A 40 18.311 -6.433 5.762 1.00 0.40 C ATOM 620 C GLU A 40 16.962 -6.528 6.499 1.00 0.40 C ATOM 621 O GLU A 40 16.752 -7.455 7.288 1.00 0.44 O ATOM 622 CB GLU A 40 19.312 -5.625 6.617 1.00 0.45 C ATOM 623 CG GLU A 40 20.727 -5.565 6.044 1.00 0.49 C ATOM 624 CD GLU A 40 21.715 -4.877 6.972 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.688 -3.629 7.053 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.514 -5.586 7.621 1.00 0.73 O ATOM 0 H GLU A 40 18.506 -4.893 4.328 1.00 0.38 H new ATOM 0 HA GLU A 40 18.707 -7.438 5.620 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.936 -4.608 6.731 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.355 -6.063 7.614 1.00 0.45 H new ATOM 0 HG2 GLU A 40 21.074 -6.578 5.840 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.705 -5.038 5.090 1.00 0.49 H new ATOM 633 N LEU A 41 16.053 -5.565 6.235 1.00 0.39 N ATOM 634 CA LEU A 41 14.716 -5.532 6.862 1.00 0.41 C ATOM 635 C LEU A 41 13.854 -6.743 6.445 1.00 0.40 C ATOM 636 O LEU A 41 13.136 -7.305 7.276 1.00 0.44 O ATOM 637 CB LEU A 41 13.994 -4.215 6.493 1.00 0.44 C ATOM 638 CG LEU A 41 12.666 -3.920 7.229 1.00 0.55 C ATOM 639 CD1 LEU A 41 12.905 -3.674 8.724 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.952 -2.733 6.578 1.00 0.58 C ATOM 0 H LEU A 41 16.224 -4.796 5.587 1.00 0.39 H new ATOM 0 HA LEU A 41 14.855 -5.584 7.942 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.678 -3.388 6.681 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.794 -4.225 5.422 1.00 0.44 H new ATOM 0 HG LEU A 41 12.022 -4.795 7.143 1.00 0.55 H new ATOM 0 HD11 LEU A 41 11.954 -3.469 9.216 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.361 -4.558 9.170 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.570 -2.820 8.850 1.00 0.65 H new ATOM 0 HD21 LEU A 41 11.019 -2.536 7.106 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.591 -1.851 6.629 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.737 -2.965 5.535 1.00 0.58 H new ATOM 652 N VAL A 42 13.933 -7.136 5.156 1.00 0.36 N ATOM 653 CA VAL A 42 13.158 -8.279 4.626 1.00 0.37 C ATOM 654 C VAL A 42 13.707 -9.638 5.133 1.00 0.38 C ATOM 655 O VAL A 42 12.942 -10.599 5.237 1.00 0.41 O ATOM 656 CB VAL A 42 13.106 -8.274 3.054 1.00 0.40 C ATOM 657 CG1 VAL A 42 12.288 -9.453 2.497 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.536 -6.947 2.537 1.00 0.41 C ATOM 0 H VAL A 42 14.525 -6.679 4.463 1.00 0.36 H new ATOM 0 HA VAL A 42 12.143 -8.158 5.004 1.00 0.37 H new ATOM 0 HB VAL A 42 14.131 -8.387 2.700 1.00 0.40 H new ATOM 0 HG11 VAL A 42 12.280 -9.408 1.408 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.738 -10.392 2.818 1.00 0.45 H new ATOM 0 HG13 VAL A 42 11.265 -9.395 2.870 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.508 -6.963 1.447 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.526 -6.809 2.924 1.00 0.41 H new ATOM 0 HG23 VAL A 42 13.168 -6.124 2.872 1.00 0.41 H new ATOM 668 N THR A 43 15.017 -9.709 5.449 1.00 0.39 N ATOM 669 CA THR A 43 15.645 -10.959 5.932 1.00 0.42 C ATOM 670 C THR A 43 15.863 -10.949 7.473 1.00 0.49 C ATOM 671 O THR A 43 16.684 -11.724 7.985 1.00 0.80 O ATOM 672 CB THR A 43 17.008 -11.207 5.202 1.00 0.45 C ATOM 673 OG1 THR A 43 16.942 -10.733 3.843 1.00 0.46 O ATOM 674 CG2 THR A 43 17.399 -12.693 5.191 1.00 0.50 C ATOM 0 H THR A 43 15.659 -8.919 5.379 1.00 0.39 H new ATOM 0 HA THR A 43 14.957 -11.772 5.700 1.00 0.42 H new ATOM 0 HB THR A 43 17.767 -10.657 5.758 1.00 0.45 H new ATOM 0 HG1 THR A 43 17.029 -9.757 3.832 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.351 -12.815 4.674 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.494 -13.052 6.216 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.630 -13.268 4.675 1.00 0.50 H new ATOM 682 N GLN A 44 15.115 -10.099 8.225 1.00 0.41 N ATOM 683 CA GLN A 44 15.273 -10.026 9.695 1.00 0.44 C ATOM 684 C GLN A 44 13.950 -9.692 10.414 1.00 0.44 C ATOM 685 O GLN A 44 13.518 -10.459 11.281 1.00 0.50 O ATOM 686 CB GLN A 44 16.373 -9.000 10.062 1.00 0.48 C ATOM 687 CG GLN A 44 16.956 -9.179 11.465 1.00 0.65 C ATOM 688 CD GLN A 44 18.234 -8.372 11.685 1.00 0.77 C ATOM 689 OE1 GLN A 44 19.332 -8.855 11.405 1.00 1.02 O ATOM 690 NE2 GLN A 44 18.106 -7.143 12.192 1.00 1.10 N ATOM 0 H GLN A 44 14.411 -9.468 7.843 1.00 0.41 H new ATOM 0 HA GLN A 44 15.576 -11.015 10.040 1.00 0.44 H new ATOM 0 HB2 GLN A 44 17.180 -9.074 9.333 1.00 0.48 H new ATOM 0 HB3 GLN A 44 15.959 -7.995 9.978 1.00 0.48 H new ATOM 0 HG2 GLN A 44 16.212 -8.880 12.203 1.00 0.65 H new ATOM 0 HG3 GLN A 44 17.166 -10.235 11.634 1.00 0.65 H new ATOM 0 HE21 GLN A 44 17.180 -6.776 12.412 1.00 1.10 H new ATOM 0 HE22 GLN A 44 18.934 -6.572 12.359 1.00 1.10 H new ATOM 699 N GLN A 45 13.313 -8.553 10.062 1.00 0.41 N ATOM 700 CA GLN A 45 12.045 -8.127 10.701 1.00 0.43 C ATOM 701 C GLN A 45 10.800 -8.434 9.830 1.00 0.41 C ATOM 702 O GLN A 45 9.674 -8.357 10.333 1.00 0.45 O ATOM 703 CB GLN A 45 12.105 -6.619 11.041 1.00 0.47 C ATOM 704 CG GLN A 45 11.180 -6.198 12.194 1.00 0.59 C ATOM 705 CD GLN A 45 11.450 -4.784 12.710 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.891 -3.910 11.960 1.00 0.65 O ATOM 707 NE2 GLN A 45 11.184 -4.545 13.998 1.00 0.84 N ATOM 0 H GLN A 45 13.653 -7.914 9.343 1.00 0.41 H new ATOM 0 HA GLN A 45 11.937 -8.707 11.617 1.00 0.43 H new ATOM 0 HB2 GLN A 45 13.131 -6.356 11.298 1.00 0.47 H new ATOM 0 HB3 GLN A 45 11.843 -6.046 10.151 1.00 0.47 H new ATOM 0 HG2 GLN A 45 10.144 -6.262 11.860 1.00 0.59 H new ATOM 0 HG3 GLN A 45 11.294 -6.904 13.017 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.820 -5.291 14.591 1.00 0.84 H new ATOM 0 HE22 GLN A 45 11.345 -3.616 14.388 1.00 0.84 H new ATOM 716 N LEU A 46 10.995 -8.782 8.537 1.00 0.40 N ATOM 717 CA LEU A 46 9.875 -9.091 7.626 1.00 0.40 C ATOM 718 C LEU A 46 10.183 -10.323 6.723 1.00 0.40 C ATOM 719 O LEU A 46 9.965 -10.262 5.508 1.00 0.42 O ATOM 720 CB LEU A 46 9.580 -7.829 6.775 1.00 0.41 C ATOM 721 CG LEU A 46 8.231 -7.806 6.000 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.322 -6.690 6.526 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.464 -7.650 4.487 1.00 0.67 C ATOM 0 H LEU A 46 11.916 -8.855 8.105 1.00 0.40 H new ATOM 0 HA LEU A 46 8.996 -9.358 8.213 1.00 0.40 H new ATOM 0 HB2 LEU A 46 9.609 -6.961 7.433 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.388 -7.709 6.054 1.00 0.41 H new ATOM 0 HG LEU A 46 7.733 -8.761 6.166 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.384 -6.692 5.970 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.117 -6.856 7.584 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.817 -5.727 6.399 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.504 -7.637 3.970 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.992 -6.716 4.295 1.00 0.67 H new ATOM 0 HD23 LEU A 46 9.061 -8.486 4.123 1.00 0.67 H new ATOM 735 N PRO A 47 10.677 -11.479 7.287 1.00 0.42 N ATOM 736 CA PRO A 47 10.990 -12.673 6.479 1.00 0.45 C ATOM 737 C PRO A 47 9.784 -13.612 6.232 1.00 0.47 C ATOM 738 O PRO A 47 9.740 -14.288 5.203 1.00 0.52 O ATOM 739 CB PRO A 47 12.073 -13.355 7.320 1.00 0.49 C ATOM 740 CG PRO A 47 11.683 -13.074 8.732 1.00 0.49 C ATOM 741 CD PRO A 47 10.987 -11.728 8.729 1.00 0.46 C ATOM 0 HA PRO A 47 11.297 -12.411 5.466 1.00 0.45 H new ATOM 0 HB2 PRO A 47 12.111 -14.427 7.125 1.00 0.49 H new ATOM 0 HB3 PRO A 47 13.061 -12.955 7.094 1.00 0.49 H new ATOM 0 HG2 PRO A 47 11.021 -13.852 9.113 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.559 -13.056 9.380 1.00 0.49 H new ATOM 0 HD2 PRO A 47 10.080 -11.747 9.334 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.628 -10.947 9.139 1.00 0.46 H new ATOM 749 N HIS A 48 8.809 -13.648 7.169 1.00 0.47 N ATOM 750 CA HIS A 48 7.621 -14.520 7.037 1.00 0.52 C ATOM 751 C HIS A 48 6.575 -13.955 6.053 1.00 0.50 C ATOM 752 O HIS A 48 5.745 -14.717 5.545 1.00 0.57 O ATOM 753 CB HIS A 48 6.976 -14.770 8.415 1.00 0.57 C ATOM 754 CG HIS A 48 7.867 -15.530 9.353 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.802 -14.919 10.166 1.00 0.69 N ATOM 756 CD2 HIS A 48 7.978 -16.859 9.589 1.00 0.79 C ATOM 757 CE1 HIS A 48 9.449 -15.841 10.856 1.00 0.80 C ATOM 758 NE2 HIS A 48 8.968 -17.024 10.526 1.00 0.85 N ATOM 0 H HIS A 48 8.822 -13.086 8.020 1.00 0.47 H new ATOM 0 HA HIS A 48 7.971 -15.467 6.625 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.715 -13.813 8.867 1.00 0.57 H new ATOM 0 HB3 HIS A 48 6.046 -15.322 8.279 1.00 0.57 H new ATOM 0 HD2 HIS A 48 7.396 -17.643 9.127 1.00 0.79 H new ATOM 0 HE1 HIS A 48 10.238 -15.657 11.570 1.00 0.80 H new ATOM 0 HE2 HIS A 48 9.281 -17.917 10.906 1.00 0.85 H new ATOM 767 N LEU A 49 6.615 -12.630 5.777 1.00 0.46 N ATOM 768 CA LEU A 49 5.662 -11.997 4.842 1.00 0.46 C ATOM 769 C LEU A 49 5.999 -12.364 3.388 1.00 0.45 C ATOM 770 O LEU A 49 5.146 -12.896 2.674 1.00 0.53 O ATOM 771 CB LEU A 49 5.639 -10.461 5.032 1.00 0.47 C ATOM 772 CG LEU A 49 4.465 -9.704 4.369 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.112 -10.201 4.880 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.607 -8.205 4.608 1.00 0.53 C ATOM 0 H LEU A 49 7.292 -11.986 6.186 1.00 0.46 H new ATOM 0 HA LEU A 49 4.666 -12.378 5.065 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.622 -10.249 6.101 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.572 -10.054 4.641 1.00 0.47 H new ATOM 0 HG LEU A 49 4.503 -9.901 3.298 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.312 -9.645 4.391 1.00 0.87 H new ATOM 0 HD12 LEU A 49 3.006 -11.262 4.656 1.00 0.87 H new ATOM 0 HD13 LEU A 49 3.052 -10.050 5.958 1.00 0.87 H new ATOM 0 HD21 LEU A 49 3.775 -7.681 4.137 1.00 0.53 H new ATOM 0 HD22 LEU A 49 4.602 -8.005 5.680 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.546 -7.855 4.179 1.00 0.53 H new ATOM 786 N LEU A 50 7.245 -12.075 2.956 1.00 0.43 N ATOM 787 CA LEU A 50 7.700 -12.408 1.597 1.00 0.45 C ATOM 788 C LEU A 50 8.343 -13.805 1.617 1.00 0.48 C ATOM 789 O LEU A 50 9.380 -14.001 2.260 1.00 0.54 O ATOM 790 CB LEU A 50 8.694 -11.348 1.063 1.00 0.48 C ATOM 791 CG LEU A 50 8.109 -9.939 0.774 1.00 0.57 C ATOM 792 CD1 LEU A 50 9.213 -8.969 0.343 1.00 0.66 C ATOM 793 CD2 LEU A 50 7.007 -9.992 -0.294 1.00 0.73 C ATOM 0 H LEU A 50 7.950 -11.613 3.531 1.00 0.43 H new ATOM 0 HA LEU A 50 6.844 -12.411 0.922 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.502 -11.241 1.787 1.00 0.48 H new ATOM 0 HB3 LEU A 50 9.139 -11.729 0.144 1.00 0.48 H new ATOM 0 HG LEU A 50 7.664 -9.577 1.701 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.779 -7.989 0.146 1.00 0.66 H new ATOM 0 HD12 LEU A 50 9.954 -8.885 1.138 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.692 -9.342 -0.562 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.622 -8.988 -0.469 1.00 0.73 H new ATOM 0 HD22 LEU A 50 7.418 -10.390 -1.222 1.00 0.73 H new ATOM 0 HD23 LEU A 50 6.198 -10.636 0.050 1.00 0.73 H new ATOM 805 N LYS A 51 7.715 -14.774 0.913 1.00 0.55 N ATOM 806 CA LYS A 51 8.201 -16.177 0.872 1.00 0.66 C ATOM 807 C LYS A 51 9.658 -16.316 0.370 1.00 0.63 C ATOM 808 O LYS A 51 10.386 -17.194 0.845 1.00 0.76 O ATOM 809 CB LYS A 51 7.254 -17.078 0.034 1.00 0.78 C ATOM 810 CG LYS A 51 7.196 -16.778 -1.480 1.00 0.78 C ATOM 811 CD LYS A 51 5.856 -16.185 -1.926 1.00 1.18 C ATOM 812 CE LYS A 51 5.806 -15.940 -3.440 1.00 1.16 C ATOM 813 NZ LYS A 51 5.762 -17.207 -4.232 1.00 1.32 N ATOM 0 H LYS A 51 6.870 -14.612 0.365 1.00 0.55 H new ATOM 0 HA LYS A 51 8.195 -16.517 1.908 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.561 -18.115 0.167 1.00 0.78 H new ATOM 0 HB3 LYS A 51 6.247 -16.989 0.440 1.00 0.78 H new ATOM 0 HG2 LYS A 51 7.997 -16.085 -1.737 1.00 0.78 H new ATOM 0 HG3 LYS A 51 7.381 -17.698 -2.034 1.00 0.78 H new ATOM 0 HD2 LYS A 51 5.049 -16.861 -1.642 1.00 1.18 H new ATOM 0 HD3 LYS A 51 5.684 -15.245 -1.402 1.00 1.18 H new ATOM 0 HE2 LYS A 51 4.929 -15.338 -3.677 1.00 1.16 H new ATOM 0 HE3 LYS A 51 6.680 -15.361 -3.739 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 5.695 -16.981 -5.245 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 6.627 -17.756 -4.056 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 4.933 -17.766 -3.947 1.00 1.32 H new ATOM 827 N ASP A 52 10.078 -15.451 -0.578 1.00 0.64 N ATOM 828 CA ASP A 52 11.437 -15.498 -1.138 1.00 0.71 C ATOM 829 C ASP A 52 12.291 -14.348 -0.570 1.00 0.59 C ATOM 830 O ASP A 52 12.326 -13.247 -1.129 1.00 0.73 O ATOM 831 CB ASP A 52 11.386 -15.456 -2.689 1.00 0.99 C ATOM 832 CG ASP A 52 12.468 -16.308 -3.346 1.00 1.46 C ATOM 833 OD1 ASP A 52 13.657 -16.135 -3.004 1.00 2.08 O ATOM 834 OD2 ASP A 52 12.122 -17.155 -4.198 1.00 2.02 O ATOM 0 H ASP A 52 9.492 -14.713 -0.969 1.00 0.64 H new ATOM 0 HA ASP A 52 11.907 -16.437 -0.847 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.407 -15.800 -3.024 1.00 0.99 H new ATOM 0 HB3 ASP A 52 11.492 -14.424 -3.022 1.00 0.99 H new ATOM 839 N VAL A 53 12.956 -14.612 0.572 1.00 0.51 N ATOM 840 CA VAL A 53 13.823 -13.612 1.232 1.00 0.52 C ATOM 841 C VAL A 53 15.182 -13.469 0.516 1.00 0.56 C ATOM 842 O VAL A 53 15.790 -12.400 0.556 1.00 0.71 O ATOM 843 CB VAL A 53 14.067 -13.927 2.747 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.762 -13.840 3.542 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.742 -15.292 2.958 1.00 0.64 C ATOM 0 H VAL A 53 12.910 -15.508 1.057 1.00 0.51 H new ATOM 0 HA VAL A 53 13.281 -12.669 1.164 1.00 0.52 H new ATOM 0 HB VAL A 53 14.753 -13.167 3.121 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.959 -14.063 4.591 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.350 -12.835 3.456 1.00 0.65 H new ATOM 0 HG13 VAL A 53 12.046 -14.560 3.146 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.890 -15.464 4.024 1.00 0.64 H new ATOM 0 HG22 VAL A 53 14.108 -16.078 2.548 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.707 -15.303 2.452 1.00 0.64 H new ATOM 855 N GLY A 54 15.647 -14.561 -0.129 1.00 0.53 N ATOM 856 CA GLY A 54 16.920 -14.550 -0.842 1.00 0.64 C ATOM 857 C GLY A 54 16.851 -13.815 -2.174 1.00 0.61 C ATOM 858 O GLY A 54 17.598 -12.855 -2.393 1.00 0.83 O ATOM 0 H GLY A 54 15.154 -15.453 -0.164 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.678 -14.081 -0.214 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.241 -15.577 -1.016 1.00 0.64 H new ATOM 862 N SER A 55 15.947 -14.270 -3.064 1.00 0.57 N ATOM 863 CA SER A 55 15.779 -13.660 -4.394 1.00 0.58 C ATOM 864 C SER A 55 14.814 -12.458 -4.339 1.00 0.51 C ATOM 865 O SER A 55 13.603 -12.610 -4.534 1.00 0.62 O ATOM 866 CB SER A 55 15.288 -14.708 -5.414 1.00 0.74 C ATOM 867 OG SER A 55 15.337 -14.193 -6.738 1.00 0.85 O ATOM 0 H SER A 55 15.324 -15.057 -2.884 1.00 0.57 H new ATOM 0 HA SER A 55 16.752 -13.292 -4.719 1.00 0.58 H new ATOM 0 HB2 SER A 55 15.905 -15.604 -5.346 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.267 -15.005 -5.173 1.00 0.74 H new ATOM 0 HG SER A 55 15.022 -14.876 -7.367 1.00 0.85 H new ATOM 873 N LEU A 56 15.370 -11.262 -4.057 1.00 0.49 N ATOM 874 CA LEU A 56 14.580 -10.013 -3.983 1.00 0.53 C ATOM 875 C LEU A 56 14.894 -9.073 -5.172 1.00 0.58 C ATOM 876 O LEU A 56 14.365 -7.962 -5.230 1.00 1.03 O ATOM 877 CB LEU A 56 14.851 -9.285 -2.633 1.00 0.67 C ATOM 878 CG LEU A 56 13.617 -8.852 -1.804 1.00 0.83 C ATOM 879 CD1 LEU A 56 12.737 -7.855 -2.567 1.00 1.22 C ATOM 880 CD2 LEU A 56 12.797 -10.063 -1.349 1.00 1.21 C ATOM 0 H LEU A 56 16.366 -11.133 -3.876 1.00 0.49 H new ATOM 0 HA LEU A 56 13.525 -10.280 -4.039 1.00 0.53 H new ATOM 0 HB2 LEU A 56 15.462 -9.940 -2.012 1.00 0.67 H new ATOM 0 HB3 LEU A 56 15.447 -8.396 -2.842 1.00 0.67 H new ATOM 0 HG LEU A 56 13.994 -8.345 -0.916 1.00 0.83 H new ATOM 0 HD11 LEU A 56 11.883 -7.577 -1.950 1.00 1.22 H new ATOM 0 HD12 LEU A 56 13.318 -6.964 -2.804 1.00 1.22 H new ATOM 0 HD13 LEU A 56 12.384 -8.314 -3.490 1.00 1.22 H new ATOM 0 HD21 LEU A 56 11.938 -9.724 -0.770 1.00 1.21 H new ATOM 0 HD22 LEU A 56 12.450 -10.616 -2.222 1.00 1.21 H new ATOM 0 HD23 LEU A 56 13.418 -10.712 -0.731 1.00 1.21 H new ATOM 892 N ASP A 57 15.750 -9.528 -6.123 1.00 0.49 N ATOM 893 CA ASP A 57 16.133 -8.720 -7.304 1.00 0.53 C ATOM 894 C ASP A 57 14.966 -8.524 -8.299 1.00 0.47 C ATOM 895 O ASP A 57 14.932 -7.508 -9.001 1.00 0.50 O ATOM 896 CB ASP A 57 17.361 -9.329 -8.025 1.00 0.67 C ATOM 897 CG ASP A 57 17.154 -10.768 -8.490 1.00 0.70 C ATOM 898 OD1 ASP A 57 16.564 -10.961 -9.574 1.00 0.77 O ATOM 899 OD2 ASP A 57 17.582 -11.694 -7.767 1.00 0.77 O ATOM 0 H ASP A 57 16.186 -10.450 -6.093 1.00 0.49 H new ATOM 0 HA ASP A 57 16.401 -7.734 -6.925 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.607 -8.710 -8.888 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.219 -9.294 -7.353 1.00 0.67 H new ATOM 904 N GLU A 58 14.022 -9.494 -8.361 1.00 0.46 N ATOM 905 CA GLU A 58 12.856 -9.403 -9.267 1.00 0.51 C ATOM 906 C GLU A 58 11.981 -8.178 -8.917 1.00 0.47 C ATOM 907 O GLU A 58 11.489 -7.493 -9.817 1.00 0.56 O ATOM 908 CB GLU A 58 12.020 -10.706 -9.225 1.00 0.60 C ATOM 909 CG GLU A 58 11.141 -10.928 -10.460 1.00 0.79 C ATOM 910 CD GLU A 58 10.460 -12.287 -10.477 1.00 0.92 C ATOM 911 OE1 GLU A 58 11.113 -13.279 -10.868 1.00 1.09 O ATOM 912 OE2 GLU A 58 9.270 -12.359 -10.102 1.00 1.02 O ATOM 0 H GLU A 58 14.046 -10.343 -7.797 1.00 0.46 H new ATOM 0 HA GLU A 58 13.229 -9.274 -10.283 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.696 -11.555 -9.116 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.385 -10.689 -8.339 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.381 -10.148 -10.501 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.753 -10.825 -11.356 1.00 0.79 H new ATOM 919 N LYS A 59 11.801 -7.912 -7.599 1.00 0.42 N ATOM 920 CA LYS A 59 11.019 -6.753 -7.123 1.00 0.47 C ATOM 921 C LYS A 59 11.912 -5.507 -6.999 1.00 0.53 C ATOM 922 O LYS A 59 11.449 -4.396 -7.261 1.00 0.91 O ATOM 923 CB LYS A 59 10.331 -7.048 -5.766 1.00 0.52 C ATOM 924 CG LYS A 59 9.039 -7.878 -5.862 1.00 0.60 C ATOM 925 CD LYS A 59 9.264 -9.340 -6.289 1.00 0.81 C ATOM 926 CE LYS A 59 10.120 -10.137 -5.294 1.00 1.17 C ATOM 927 NZ LYS A 59 10.012 -11.608 -5.517 1.00 1.55 N ATOM 0 H LYS A 59 12.188 -8.487 -6.851 1.00 0.42 H new ATOM 0 HA LYS A 59 10.242 -6.561 -7.863 1.00 0.47 H new ATOM 0 HB2 LYS A 59 11.037 -7.575 -5.124 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.102 -6.101 -5.278 1.00 0.52 H new ATOM 0 HG2 LYS A 59 8.539 -7.866 -4.894 1.00 0.60 H new ATOM 0 HG3 LYS A 59 8.365 -7.402 -6.574 1.00 0.60 H new ATOM 0 HD2 LYS A 59 8.298 -9.831 -6.402 1.00 0.81 H new ATOM 0 HD3 LYS A 59 9.746 -9.356 -7.267 1.00 0.81 H new ATOM 0 HE2 LYS A 59 11.162 -9.832 -5.387 1.00 1.17 H new ATOM 0 HE3 LYS A 59 9.808 -9.901 -4.277 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 10.605 -12.109 -4.825 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 9.022 -11.905 -5.403 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 10.334 -11.838 -6.479 1.00 1.55 H new ATOM 941 N MET A 60 13.201 -5.696 -6.607 1.00 0.39 N ATOM 942 CA MET A 60 14.162 -4.578 -6.462 1.00 0.41 C ATOM 943 C MET A 60 14.315 -3.792 -7.780 1.00 0.42 C ATOM 944 O MET A 60 14.458 -2.566 -7.751 1.00 0.46 O ATOM 945 CB MET A 60 15.542 -5.079 -5.980 1.00 0.45 C ATOM 946 CG MET A 60 16.448 -3.979 -5.425 1.00 0.53 C ATOM 947 SD MET A 60 18.103 -4.570 -4.991 1.00 0.66 S ATOM 948 CE MET A 60 18.874 -4.709 -6.605 1.00 0.84 C ATOM 0 H MET A 60 13.594 -6.611 -6.387 1.00 0.39 H new ATOM 0 HA MET A 60 13.756 -3.906 -5.706 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.393 -5.835 -5.209 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.050 -5.568 -6.812 1.00 0.45 H new ATOM 0 HG2 MET A 60 16.536 -3.182 -6.164 1.00 0.53 H new ATOM 0 HG3 MET A 60 15.981 -3.544 -4.541 1.00 0.53 H new ATOM 0 HE1 MET A 60 19.919 -4.995 -6.486 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.355 -5.467 -7.192 1.00 0.84 H new ATOM 0 HE3 MET A 60 18.817 -3.750 -7.119 1.00 0.84 H new ATOM 958 N LYS A 61 14.284 -4.501 -8.932 1.00 0.44 N ATOM 959 CA LYS A 61 14.375 -3.847 -10.254 1.00 0.49 C ATOM 960 C LYS A 61 13.134 -2.963 -10.513 1.00 0.46 C ATOM 961 O LYS A 61 13.240 -1.923 -11.169 1.00 0.49 O ATOM 962 CB LYS A 61 14.560 -4.889 -11.383 1.00 0.59 C ATOM 963 CG LYS A 61 16.024 -5.210 -11.698 1.00 0.70 C ATOM 964 CD LYS A 61 16.683 -4.114 -12.549 1.00 1.11 C ATOM 965 CE LYS A 61 18.208 -4.169 -12.481 1.00 1.90 C ATOM 966 NZ LYS A 61 18.850 -3.052 -13.236 1.00 2.56 N ATOM 0 H LYS A 61 14.197 -5.517 -8.971 1.00 0.44 H new ATOM 0 HA LYS A 61 15.255 -3.204 -10.251 1.00 0.49 H new ATOM 0 HB2 LYS A 61 14.049 -5.810 -11.101 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.077 -4.520 -12.287 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.578 -5.328 -10.767 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.081 -6.162 -12.226 1.00 0.70 H new ATOM 0 HD2 LYS A 61 16.363 -4.220 -13.586 1.00 1.11 H new ATOM 0 HD3 LYS A 61 16.341 -3.137 -12.208 1.00 1.11 H new ATOM 0 HE2 LYS A 61 18.525 -4.129 -11.439 1.00 1.90 H new ATOM 0 HE3 LYS A 61 18.553 -5.122 -12.883 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 19.884 -3.132 -13.161 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 18.571 -3.104 -14.236 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 18.543 -2.142 -12.837 1.00 2.56 H new ATOM 980 N SER A 62 11.960 -3.394 -9.993 1.00 0.44 N ATOM 981 CA SER A 62 10.709 -2.622 -10.118 1.00 0.46 C ATOM 982 C SER A 62 10.715 -1.419 -9.148 1.00 0.43 C ATOM 983 O SER A 62 10.081 -0.398 -9.434 1.00 0.47 O ATOM 984 CB SER A 62 9.479 -3.515 -9.857 1.00 0.53 C ATOM 985 OG SER A 62 9.381 -4.548 -10.827 1.00 0.61 O ATOM 0 H SER A 62 11.857 -4.272 -9.484 1.00 0.44 H new ATOM 0 HA SER A 62 10.646 -2.247 -11.139 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.548 -3.953 -8.861 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.574 -2.907 -9.876 1.00 0.53 H new ATOM 0 HG SER A 62 8.594 -5.101 -10.638 1.00 0.61 H new ATOM 991 N LEU A 63 11.436 -1.544 -8.000 1.00 0.40 N ATOM 992 CA LEU A 63 11.540 -0.454 -7.007 1.00 0.43 C ATOM 993 C LEU A 63 12.450 0.663 -7.533 1.00 0.45 C ATOM 994 O LEU A 63 11.992 1.789 -7.723 1.00 0.53 O ATOM 995 CB LEU A 63 12.068 -0.958 -5.638 1.00 0.45 C ATOM 996 CG LEU A 63 11.229 -2.053 -4.944 1.00 0.42 C ATOM 997 CD1 LEU A 63 11.957 -2.610 -3.719 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.840 -1.537 -4.551 1.00 0.68 C ATOM 0 H LEU A 63 11.950 -2.388 -7.746 1.00 0.40 H new ATOM 0 HA LEU A 63 10.534 -0.065 -6.853 1.00 0.43 H new ATOM 0 HB2 LEU A 63 13.079 -1.340 -5.780 1.00 0.45 H new ATOM 0 HB3 LEU A 63 12.142 -0.104 -4.964 1.00 0.45 H new ATOM 0 HG LEU A 63 11.095 -2.861 -5.664 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.344 -3.379 -3.250 1.00 0.48 H new ATOM 0 HD12 LEU A 63 12.909 -3.043 -4.027 1.00 0.48 H new ATOM 0 HD13 LEU A 63 12.138 -1.805 -3.006 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.279 -2.336 -4.065 1.00 0.68 H new ATOM 0 HD22 LEU A 63 9.945 -0.697 -3.864 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.307 -1.210 -5.444 1.00 0.68 H new ATOM 1010 N ASP A 64 13.736 0.341 -7.790 1.00 0.45 N ATOM 1011 CA ASP A 64 14.698 1.324 -8.308 1.00 0.51 C ATOM 1012 C ASP A 64 14.572 1.424 -9.843 1.00 0.50 C ATOM 1013 O ASP A 64 15.448 0.970 -10.589 1.00 0.54 O ATOM 1014 CB ASP A 64 16.132 0.951 -7.872 1.00 0.60 C ATOM 1015 CG ASP A 64 17.135 2.074 -8.103 1.00 0.83 C ATOM 1016 OD1 ASP A 64 17.102 3.067 -7.344 1.00 1.39 O ATOM 1017 OD2 ASP A 64 17.950 1.959 -9.042 1.00 1.28 O ATOM 0 H ASP A 64 14.126 -0.590 -7.646 1.00 0.45 H new ATOM 0 HA ASP A 64 14.475 2.306 -7.890 1.00 0.51 H new ATOM 0 HB2 ASP A 64 16.127 0.687 -6.814 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.454 0.065 -8.420 1.00 0.60 H new ATOM 1022 N VAL A 65 13.452 2.017 -10.293 1.00 0.51 N ATOM 1023 CA VAL A 65 13.151 2.193 -11.724 1.00 0.55 C ATOM 1024 C VAL A 65 13.718 3.531 -12.273 1.00 0.55 C ATOM 1025 O VAL A 65 13.873 3.679 -13.488 1.00 0.60 O ATOM 1026 CB VAL A 65 11.606 2.083 -11.977 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.827 3.277 -11.402 1.00 0.67 C ATOM 1028 CG2 VAL A 65 11.284 1.877 -13.462 1.00 0.73 C ATOM 0 H VAL A 65 12.730 2.388 -9.675 1.00 0.51 H new ATOM 0 HA VAL A 65 13.647 1.390 -12.270 1.00 0.55 H new ATOM 0 HB VAL A 65 11.273 1.196 -11.438 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.764 3.150 -11.605 1.00 0.67 H new ATOM 0 HG12 VAL A 65 10.987 3.331 -10.325 1.00 0.67 H new ATOM 0 HG13 VAL A 65 11.177 4.198 -11.867 1.00 0.67 H new ATOM 0 HG21 VAL A 65 10.204 1.806 -13.594 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.665 2.721 -14.037 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.754 0.958 -13.812 1.00 0.73 H new ATOM 1038 N ASN A 66 14.019 4.494 -11.369 1.00 0.56 N ATOM 1039 CA ASN A 66 14.568 5.810 -11.762 1.00 0.60 C ATOM 1040 C ASN A 66 16.109 5.777 -11.929 1.00 0.59 C ATOM 1041 O ASN A 66 16.677 6.711 -12.505 1.00 0.66 O ATOM 1042 CB ASN A 66 14.158 6.884 -10.725 1.00 0.67 C ATOM 1043 CG ASN A 66 14.363 8.325 -11.206 1.00 0.94 C ATOM 1044 OD1 ASN A 66 14.302 8.609 -12.405 1.00 1.29 O ATOM 1045 ND2 ASN A 66 14.598 9.247 -10.269 1.00 1.44 N ATOM 0 H ASN A 66 13.890 4.382 -10.363 1.00 0.56 H new ATOM 0 HA ASN A 66 14.147 6.065 -12.735 1.00 0.60 H new ATOM 0 HB2 ASN A 66 13.108 6.744 -10.467 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.733 6.731 -9.812 1.00 0.67 H new ATOM 0 HD21 ASN A 66 14.734 10.222 -10.536 1.00 1.44 H new ATOM 0 HD22 ASN A 66 14.642 8.976 -9.287 1.00 1.44 H new ATOM 1052 N GLN A 67 16.779 4.707 -11.427 1.00 0.55 N ATOM 1053 CA GLN A 67 18.252 4.552 -11.511 1.00 0.60 C ATOM 1054 C GLN A 67 18.985 5.723 -10.817 1.00 0.63 C ATOM 1055 O GLN A 67 19.876 6.356 -11.399 1.00 0.78 O ATOM 1056 CB GLN A 67 18.728 4.385 -12.981 1.00 0.70 C ATOM 1057 CG GLN A 67 18.301 3.073 -13.646 1.00 0.88 C ATOM 1058 CD GLN A 67 16.880 3.094 -14.212 1.00 1.20 C ATOM 1059 OE1 GLN A 67 16.401 4.124 -14.698 1.00 1.96 O ATOM 1060 NE2 GLN A 67 16.191 1.951 -14.155 1.00 1.86 N ATOM 0 H GLN A 67 16.314 3.932 -10.955 1.00 0.55 H new ATOM 0 HA GLN A 67 18.510 3.637 -10.977 1.00 0.60 H new ATOM 0 HB2 GLN A 67 18.343 5.217 -13.570 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.816 4.452 -13.006 1.00 0.70 H new ATOM 0 HG2 GLN A 67 18.998 2.843 -14.452 1.00 0.88 H new ATOM 0 HG3 GLN A 67 18.378 2.266 -12.917 1.00 0.88 H new ATOM 0 HE21 GLN A 67 16.617 1.119 -13.747 1.00 1.86 H new ATOM 0 HE22 GLN A 67 15.239 1.911 -14.519 1.00 1.86 H new ATOM 1069 N ASP A 68 18.594 5.993 -9.558 1.00 0.62 N ATOM 1070 CA ASP A 68 19.177 7.083 -8.749 1.00 0.71 C ATOM 1071 C ASP A 68 19.891 6.549 -7.479 1.00 0.77 C ATOM 1072 O ASP A 68 20.402 7.348 -6.687 1.00 1.32 O ATOM 1073 CB ASP A 68 18.051 8.062 -8.351 1.00 0.78 C ATOM 1074 CG ASP A 68 18.552 9.452 -7.990 1.00 1.08 C ATOM 1075 OD1 ASP A 68 18.883 9.679 -6.806 1.00 1.37 O ATOM 1076 OD2 ASP A 68 18.616 10.313 -8.892 1.00 1.41 O ATOM 0 H ASP A 68 17.868 5.465 -9.073 1.00 0.62 H new ATOM 0 HA ASP A 68 19.931 7.592 -9.349 1.00 0.71 H new ATOM 0 HB2 ASP A 68 17.343 8.143 -9.176 1.00 0.78 H new ATOM 0 HB3 ASP A 68 17.506 7.650 -7.502 1.00 0.78 H new ATOM 1081 N SER A 69 19.935 5.203 -7.296 1.00 0.62 N ATOM 1082 CA SER A 69 20.549 4.561 -6.110 1.00 0.67 C ATOM 1083 C SER A 69 19.793 4.929 -4.804 1.00 0.68 C ATOM 1084 O SER A 69 20.373 4.896 -3.712 1.00 1.24 O ATOM 1085 CB SER A 69 22.052 4.907 -5.997 1.00 0.82 C ATOM 1086 OG SER A 69 22.698 4.078 -5.042 1.00 1.31 O ATOM 0 H SER A 69 19.547 4.538 -7.965 1.00 0.62 H new ATOM 0 HA SER A 69 20.464 3.483 -6.247 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.530 4.787 -6.969 1.00 0.82 H new ATOM 0 HB3 SER A 69 22.167 5.953 -5.712 1.00 0.82 H new ATOM 0 HG SER A 69 22.159 4.039 -4.225 1.00 1.31 H new ATOM 1092 N GLU A 70 18.485 5.262 -4.931 1.00 0.66 N ATOM 1093 CA GLU A 70 17.635 5.638 -3.786 1.00 0.77 C ATOM 1094 C GLU A 70 16.233 5.034 -3.952 1.00 0.64 C ATOM 1095 O GLU A 70 15.595 5.230 -4.995 1.00 0.75 O ATOM 1096 CB GLU A 70 17.519 7.176 -3.663 1.00 1.13 C ATOM 1097 CG GLU A 70 18.852 7.906 -3.488 1.00 1.41 C ATOM 1098 CD GLU A 70 18.695 9.415 -3.360 1.00 1.90 C ATOM 1099 OE1 GLU A 70 18.084 10.032 -4.260 1.00 2.41 O ATOM 1100 OE2 GLU A 70 19.182 9.980 -2.360 1.00 2.42 O ATOM 0 H GLU A 70 17.997 5.276 -5.826 1.00 0.66 H new ATOM 0 HA GLU A 70 18.099 5.249 -2.880 1.00 0.77 H new ATOM 0 HB2 GLU A 70 17.023 7.562 -4.554 1.00 1.13 H new ATOM 0 HB3 GLU A 70 16.877 7.412 -2.814 1.00 1.13 H new ATOM 0 HG2 GLU A 70 19.355 7.523 -2.600 1.00 1.41 H new ATOM 0 HG3 GLU A 70 19.495 7.685 -4.340 1.00 1.41 H new ATOM 1107 N LEU A 71 15.755 4.305 -2.927 1.00 0.57 N ATOM 1108 CA LEU A 71 14.422 3.679 -2.966 1.00 0.51 C ATOM 1109 C LEU A 71 13.405 4.555 -2.212 1.00 0.51 C ATOM 1110 O LEU A 71 12.930 4.191 -1.128 1.00 0.53 O ATOM 1111 CB LEU A 71 14.453 2.246 -2.382 1.00 0.53 C ATOM 1112 CG LEU A 71 14.977 1.122 -3.313 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.447 1.330 -3.696 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.778 -0.241 -2.648 1.00 0.74 C ATOM 0 H LEU A 71 16.271 4.136 -2.064 1.00 0.57 H new ATOM 0 HA LEU A 71 14.114 3.600 -4.008 1.00 0.51 H new ATOM 0 HB2 LEU A 71 15.071 2.259 -1.484 1.00 0.53 H new ATOM 0 HB3 LEU A 71 13.442 1.985 -2.070 1.00 0.53 H new ATOM 0 HG LEU A 71 14.400 1.158 -4.237 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.771 0.519 -4.348 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.556 2.281 -4.217 1.00 0.95 H new ATOM 0 HD13 LEU A 71 17.060 1.338 -2.795 1.00 0.95 H new ATOM 0 HD21 LEU A 71 15.148 -1.025 -3.308 1.00 0.74 H new ATOM 0 HD22 LEU A 71 15.326 -0.270 -1.706 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.717 -0.400 -2.455 1.00 0.74 H new ATOM 1126 N LYS A 72 13.086 5.724 -2.801 1.00 0.53 N ATOM 1127 CA LYS A 72 12.114 6.671 -2.215 1.00 0.56 C ATOM 1128 C LYS A 72 10.716 6.038 -2.204 1.00 0.50 C ATOM 1129 O LYS A 72 10.470 5.116 -2.973 1.00 0.48 O ATOM 1130 CB LYS A 72 12.123 7.992 -3.013 1.00 0.63 C ATOM 1131 CG LYS A 72 11.526 9.190 -2.271 1.00 0.86 C ATOM 1132 CD LYS A 72 11.777 10.505 -3.013 1.00 1.00 C ATOM 1133 CE LYS A 72 11.311 11.717 -2.205 1.00 1.43 C ATOM 1134 NZ LYS A 72 9.824 11.794 -2.094 1.00 1.89 N ATOM 0 H LYS A 72 13.488 6.037 -3.685 1.00 0.53 H new ATOM 0 HA LYS A 72 12.395 6.895 -1.186 1.00 0.56 H new ATOM 0 HB2 LYS A 72 13.151 8.228 -3.288 1.00 0.63 H new ATOM 0 HB3 LYS A 72 11.570 7.844 -3.941 1.00 0.63 H new ATOM 0 HG2 LYS A 72 10.453 9.042 -2.147 1.00 0.86 H new ATOM 0 HG3 LYS A 72 11.957 9.249 -1.272 1.00 0.86 H new ATOM 0 HD2 LYS A 72 12.841 10.601 -3.230 1.00 1.00 H new ATOM 0 HD3 LYS A 72 11.257 10.486 -3.971 1.00 1.00 H new ATOM 0 HE2 LYS A 72 11.745 11.672 -1.206 1.00 1.43 H new ATOM 0 HE3 LYS A 72 11.685 12.627 -2.674 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 9.560 12.632 -1.538 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 9.408 11.865 -3.045 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 9.466 10.939 -1.622 1.00 1.89 H new ATOM 1148 N PHE A 73 9.800 6.536 -1.351 1.00 0.53 N ATOM 1149 CA PHE A 73 8.435 5.960 -1.244 1.00 0.50 C ATOM 1150 C PHE A 73 7.661 5.911 -2.585 1.00 0.47 C ATOM 1151 O PHE A 73 6.826 5.022 -2.768 1.00 0.47 O ATOM 1152 CB PHE A 73 7.596 6.673 -0.166 1.00 0.56 C ATOM 1153 CG PHE A 73 6.666 5.719 0.547 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.406 5.433 0.036 1.00 0.89 C ATOM 1155 CD2 PHE A 73 7.072 5.072 1.707 1.00 0.87 C ATOM 1156 CE1 PHE A 73 4.580 4.528 0.666 1.00 1.12 C ATOM 1157 CE2 PHE A 73 6.246 4.172 2.341 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.001 3.897 1.821 1.00 1.20 C ATOM 0 H PHE A 73 9.972 7.327 -0.730 1.00 0.53 H new ATOM 0 HA PHE A 73 8.593 4.924 -0.943 1.00 0.50 H new ATOM 0 HB2 PHE A 73 8.260 7.142 0.559 1.00 0.56 H new ATOM 0 HB3 PHE A 73 7.014 7.470 -0.628 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.070 5.925 -0.865 1.00 0.89 H new ATOM 0 HD2 PHE A 73 8.050 5.278 2.117 1.00 0.87 H new ATOM 0 HE1 PHE A 73 3.604 4.312 0.257 1.00 1.12 H new ATOM 0 HE2 PHE A 73 6.574 3.682 3.246 1.00 1.11 H new ATOM 0 HZ PHE A 73 4.354 3.188 2.316 1.00 1.20 H new ATOM 1168 N ASN A 74 7.922 6.864 -3.504 1.00 0.49 N ATOM 1169 CA ASN A 74 7.261 6.870 -4.829 1.00 0.51 C ATOM 1170 C ASN A 74 7.786 5.698 -5.693 1.00 0.49 C ATOM 1171 O ASN A 74 7.043 5.143 -6.502 1.00 0.53 O ATOM 1172 CB ASN A 74 7.483 8.218 -5.548 1.00 0.57 C ATOM 1173 CG ASN A 74 6.665 8.361 -6.835 1.00 0.65 C ATOM 1174 OD1 ASN A 74 5.434 8.871 -6.728 1.00 0.98 O flip ATOM 1175 ND2 ASN A 74 7.135 8.006 -7.917 1.00 0.91 N flip ATOM 0 H ASN A 74 8.578 7.631 -3.357 1.00 0.49 H new ATOM 0 HA ASN A 74 6.189 6.741 -4.680 1.00 0.51 H new ATOM 0 HB2 ASN A 74 7.224 9.031 -4.869 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.542 8.325 -5.785 1.00 0.57 H new ATOM 0 HD21 ASN A 74 8.078 7.621 -7.961 1.00 0.91 H new ATOM 0 HD22 ASN A 74 6.581 8.097 -8.768 1.00 0.91 H new ATOM 1182 N GLU A 75 9.076 5.340 -5.505 1.00 0.46 N ATOM 1183 CA GLU A 75 9.723 4.224 -6.225 1.00 0.47 C ATOM 1184 C GLU A 75 9.565 2.896 -5.441 1.00 0.43 C ATOM 1185 O GLU A 75 9.401 1.834 -6.041 1.00 0.44 O ATOM 1186 CB GLU A 75 11.223 4.546 -6.460 1.00 0.53 C ATOM 1187 CG GLU A 75 11.521 5.273 -7.777 1.00 0.61 C ATOM 1188 CD GLU A 75 11.129 6.745 -7.768 1.00 0.78 C ATOM 1189 OE1 GLU A 75 9.970 7.055 -8.119 1.00 1.03 O ATOM 1190 OE2 GLU A 75 11.984 7.587 -7.418 1.00 0.98 O ATOM 0 H GLU A 75 9.696 5.817 -4.850 1.00 0.46 H new ATOM 0 HA GLU A 75 9.233 4.102 -7.191 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.584 5.158 -5.633 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.789 3.615 -6.438 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.586 5.191 -7.993 1.00 0.61 H new ATOM 0 HG3 GLU A 75 10.992 4.770 -8.587 1.00 0.61 H new ATOM 1197 N TYR A 76 9.598 2.985 -4.092 1.00 0.42 N ATOM 1198 CA TYR A 76 9.461 1.827 -3.175 1.00 0.41 C ATOM 1199 C TYR A 76 7.983 1.377 -3.000 1.00 0.39 C ATOM 1200 O TYR A 76 7.725 0.379 -2.318 1.00 0.52 O ATOM 1201 CB TYR A 76 10.091 2.207 -1.807 1.00 0.44 C ATOM 1202 CG TYR A 76 10.116 1.108 -0.743 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.953 0.002 -0.864 1.00 0.52 C ATOM 1204 CD2 TYR A 76 9.308 1.191 0.393 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.984 -0.981 0.105 1.00 0.59 C ATOM 1206 CE2 TYR A 76 9.340 0.210 1.367 1.00 0.57 C ATOM 1207 CZ TYR A 76 10.177 -0.875 1.217 1.00 0.59 C ATOM 1208 OH TYR A 76 10.218 -1.855 2.187 1.00 0.69 O ATOM 0 H TYR A 76 9.722 3.871 -3.603 1.00 0.42 H new ATOM 0 HA TYR A 76 9.985 0.975 -3.609 1.00 0.41 H new ATOM 0 HB2 TYR A 76 11.115 2.537 -1.982 1.00 0.44 H new ATOM 0 HB3 TYR A 76 9.545 3.060 -1.404 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.590 -0.089 -1.732 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.647 2.036 0.513 1.00 0.51 H new ATOM 0 HE1 TYR A 76 11.640 -1.832 -0.008 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.712 0.293 2.242 1.00 0.57 H new ATOM 0 HH TYR A 76 9.590 -1.631 2.905 1.00 0.69 H new ATOM 1218 N TRP A 77 7.020 2.090 -3.635 1.00 0.40 N ATOM 1219 CA TRP A 77 5.579 1.752 -3.535 1.00 0.42 C ATOM 1220 C TRP A 77 5.247 0.365 -4.155 1.00 0.37 C ATOM 1221 O TRP A 77 4.218 -0.224 -3.812 1.00 0.39 O ATOM 1222 CB TRP A 77 4.709 2.907 -4.132 1.00 0.58 C ATOM 1223 CG TRP A 77 3.779 2.545 -5.273 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.458 2.207 -5.179 1.00 0.53 C ATOM 1225 CD2 TRP A 77 4.101 2.494 -6.672 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.944 1.953 -6.425 1.00 0.77 N ATOM 1227 CE2 TRP A 77 2.932 2.120 -7.357 1.00 0.97 C ATOM 1228 CE3 TRP A 77 5.263 2.730 -7.411 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 2.890 1.974 -8.741 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 5.222 2.586 -8.784 1.00 1.45 C ATOM 1231 CH2 TRP A 77 4.041 2.212 -9.436 1.00 1.62 C ATOM 0 H TRP A 77 7.215 2.902 -4.221 1.00 0.40 H new ATOM 0 HA TRP A 77 5.328 1.659 -2.478 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.109 3.331 -3.327 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.380 3.693 -4.478 1.00 0.58 H new ATOM 0 HD1 TRP A 77 1.899 2.148 -4.257 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.981 1.683 -6.625 1.00 0.77 H new ATOM 0 HE3 TRP A 77 6.178 3.020 -6.917 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 1.981 1.683 -9.246 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 6.115 2.765 -9.364 1.00 1.45 H new ATOM 0 HH2 TRP A 77 4.040 2.110 -10.511 1.00 1.62 H new ATOM 1242 N ARG A 78 6.116 -0.153 -5.060 1.00 0.39 N ATOM 1243 CA ARG A 78 5.906 -1.478 -5.690 1.00 0.42 C ATOM 1244 C ARG A 78 6.012 -2.618 -4.655 1.00 0.40 C ATOM 1245 O ARG A 78 5.327 -3.636 -4.794 1.00 0.45 O ATOM 1246 CB ARG A 78 6.905 -1.716 -6.847 1.00 0.49 C ATOM 1247 CG ARG A 78 6.700 -0.803 -8.063 1.00 0.64 C ATOM 1248 CD ARG A 78 5.476 -1.188 -8.906 1.00 0.82 C ATOM 1249 NE ARG A 78 5.693 -2.417 -9.701 1.00 1.11 N ATOM 1250 CZ ARG A 78 5.837 -2.483 -11.052 1.00 1.57 C ATOM 1251 NH1 ARG A 78 5.800 -1.384 -11.824 1.00 1.96 N ATOM 1252 NH2 ARG A 78 6.027 -3.669 -11.635 1.00 1.93 N ATOM 0 H ARG A 78 6.963 0.325 -5.367 1.00 0.39 H new ATOM 0 HA ARG A 78 4.896 -1.480 -6.100 1.00 0.42 H new ATOM 0 HB2 ARG A 78 7.918 -1.576 -6.470 1.00 0.49 H new ATOM 0 HB3 ARG A 78 6.826 -2.754 -7.170 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.590 0.226 -7.722 1.00 0.64 H new ATOM 0 HG3 ARG A 78 7.591 -0.838 -8.690 1.00 0.64 H new ATOM 0 HD2 ARG A 78 4.618 -1.332 -8.249 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.229 -0.365 -9.577 1.00 0.82 H new ATOM 0 HE ARG A 78 5.739 -3.297 -9.188 1.00 1.11 H new ATOM 0 HH11 ARG A 78 5.661 -0.467 -11.400 1.00 1.96 H new ATOM 0 HH12 ARG A 78 5.911 -1.467 -12.835 1.00 1.96 H new ATOM 0 HH21 ARG A 78 6.063 -4.516 -11.068 1.00 1.93 H new ATOM 0 HH22 ARG A 78 6.136 -3.728 -12.647 1.00 1.93 H new ATOM 1266 N LEU A 79 6.862 -2.441 -3.613 1.00 0.37 N ATOM 1267 CA LEU A 79 7.026 -3.455 -2.552 1.00 0.37 C ATOM 1268 C LEU A 79 5.898 -3.328 -1.514 1.00 0.36 C ATOM 1269 O LEU A 79 5.529 -4.322 -0.898 1.00 0.39 O ATOM 1270 CB LEU A 79 8.412 -3.349 -1.861 1.00 0.40 C ATOM 1271 CG LEU A 79 8.917 -4.625 -1.143 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.159 -5.770 -2.134 1.00 0.49 C ATOM 1273 CD2 LEU A 79 10.194 -4.335 -0.346 1.00 0.53 C ATOM 0 H LEU A 79 7.439 -1.609 -3.489 1.00 0.37 H new ATOM 0 HA LEU A 79 6.969 -4.437 -3.023 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.149 -3.064 -2.612 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.371 -2.539 -1.132 1.00 0.40 H new ATOM 0 HG LEU A 79 8.136 -4.938 -0.450 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.513 -6.649 -1.595 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.228 -6.010 -2.648 1.00 0.49 H new ATOM 0 HD13 LEU A 79 9.909 -5.466 -2.865 1.00 0.49 H new ATOM 0 HD21 LEU A 79 10.529 -5.247 0.149 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.973 -3.982 -1.022 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.990 -3.570 0.403 1.00 0.53 H new ATOM 1285 N ILE A 80 5.356 -2.096 -1.324 1.00 0.38 N ATOM 1286 CA ILE A 80 4.238 -1.860 -0.381 1.00 0.41 C ATOM 1287 C ILE A 80 2.985 -2.616 -0.872 1.00 0.40 C ATOM 1288 O ILE A 80 2.236 -3.167 -0.059 1.00 0.43 O ATOM 1289 CB ILE A 80 3.916 -0.332 -0.193 1.00 0.49 C ATOM 1290 CG1 ILE A 80 5.182 0.475 0.220 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.785 -0.107 0.826 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.828 0.044 1.535 1.00 0.61 C ATOM 0 H ILE A 80 5.675 -1.258 -1.810 1.00 0.38 H new ATOM 0 HA ILE A 80 4.544 -2.237 0.595 1.00 0.41 H new ATOM 0 HB ILE A 80 3.577 0.036 -1.161 1.00 0.49 H new ATOM 0 HG12 ILE A 80 5.923 0.390 -0.575 1.00 0.53 H new ATOM 0 HG13 ILE A 80 4.913 1.529 0.294 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.593 0.961 0.927 1.00 0.59 H new ATOM 0 HG22 ILE A 80 1.880 -0.607 0.481 1.00 0.59 H new ATOM 0 HG23 ILE A 80 3.080 -0.516 1.793 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.701 0.666 1.733 1.00 0.61 H new ATOM 0 HD12 ILE A 80 5.110 0.157 2.347 1.00 0.61 H new ATOM 0 HD13 ILE A 80 6.135 -0.999 1.465 1.00 0.61 H new ATOM 1304 N GLY A 81 2.766 -2.628 -2.210 1.00 0.40 N ATOM 1305 CA GLY A 81 1.646 -3.364 -2.799 1.00 0.44 C ATOM 1306 C GLY A 81 1.827 -4.878 -2.650 1.00 0.41 C ATOM 1307 O GLY A 81 0.856 -5.598 -2.412 1.00 0.47 O ATOM 0 H GLY A 81 3.350 -2.138 -2.887 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.716 -3.059 -2.319 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.558 -3.110 -3.855 1.00 0.44 H new ATOM 1311 N GLU A 82 3.092 -5.360 -2.792 1.00 0.38 N ATOM 1312 CA GLU A 82 3.424 -6.792 -2.623 1.00 0.38 C ATOM 1313 C GLU A 82 3.465 -7.170 -1.121 1.00 0.36 C ATOM 1314 O GLU A 82 3.302 -8.337 -0.778 1.00 0.42 O ATOM 1315 CB GLU A 82 4.781 -7.147 -3.285 1.00 0.43 C ATOM 1316 CG GLU A 82 4.826 -6.983 -4.809 1.00 0.51 C ATOM 1317 CD GLU A 82 3.957 -7.988 -5.557 1.00 0.62 C ATOM 1318 OE1 GLU A 82 2.767 -7.686 -5.787 1.00 0.86 O ATOM 1319 OE2 GLU A 82 4.471 -9.073 -5.909 1.00 0.83 O ATOM 0 H GLU A 82 3.894 -4.774 -3.023 1.00 0.38 H new ATOM 0 HA GLU A 82 2.640 -7.365 -3.119 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.557 -6.520 -2.845 1.00 0.43 H new ATOM 0 HB3 GLU A 82 5.028 -8.180 -3.039 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.504 -5.974 -5.067 1.00 0.51 H new ATOM 0 HG3 GLU A 82 5.857 -7.085 -5.147 1.00 0.51 H new ATOM 1326 N LEU A 83 3.691 -6.168 -0.230 1.00 0.36 N ATOM 1327 CA LEU A 83 3.724 -6.387 1.234 1.00 0.39 C ATOM 1328 C LEU A 83 2.340 -6.850 1.736 1.00 0.40 C ATOM 1329 O LEU A 83 2.225 -7.886 2.394 1.00 0.49 O ATOM 1330 CB LEU A 83 4.155 -5.082 1.980 1.00 0.44 C ATOM 1331 CG LEU A 83 5.497 -5.138 2.754 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.698 -5.196 1.808 1.00 0.67 C ATOM 1333 CD2 LEU A 83 5.619 -3.948 3.713 1.00 0.61 C ATOM 0 H LEU A 83 3.853 -5.199 -0.505 1.00 0.36 H new ATOM 0 HA LEU A 83 4.457 -7.165 1.446 1.00 0.39 H new ATOM 0 HB2 LEU A 83 4.216 -4.276 1.249 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.366 -4.815 2.684 1.00 0.44 H new ATOM 0 HG LEU A 83 5.498 -6.058 3.339 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.618 -5.234 2.391 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.627 -6.087 1.184 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.706 -4.309 1.175 1.00 0.67 H new ATOM 0 HD21 LEU A 83 6.568 -4.006 4.246 1.00 0.61 H new ATOM 0 HD22 LEU A 83 5.578 -3.018 3.146 1.00 0.61 H new ATOM 0 HD23 LEU A 83 4.798 -3.972 4.430 1.00 0.61 H new ATOM 1345 N ALA A 84 1.293 -6.080 1.380 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.092 -6.381 1.780 1.00 0.45 C ATOM 1347 C ALA A 84 -0.696 -7.551 0.981 1.00 0.45 C ATOM 1348 O ALA A 84 -1.524 -8.294 1.511 1.00 0.55 O ATOM 1349 CB ALA A 84 -0.961 -5.135 1.627 1.00 0.54 C ATOM 0 H ALA A 84 1.384 -5.238 0.811 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.067 -6.687 2.826 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -1.984 -5.366 1.925 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.570 -4.339 2.260 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -0.951 -4.810 0.587 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.284 -7.705 -0.294 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.785 -8.788 -1.166 1.00 0.46 C ATOM 1357 C LYS A 85 -0.169 -10.162 -0.808 1.00 0.47 C ATOM 1358 O LYS A 85 -0.786 -11.197 -1.079 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.505 -8.452 -2.648 1.00 0.49 C ATOM 1360 CG LYS A 85 -1.253 -9.334 -3.655 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.906 -8.995 -5.109 1.00 0.64 C ATOM 1362 CE LYS A 85 -1.501 -7.653 -5.564 1.00 0.69 C ATOM 1363 NZ LYS A 85 -0.477 -6.566 -5.625 1.00 0.96 N ATOM 0 H LYS A 85 0.396 -7.092 -0.744 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.860 -8.861 -1.005 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.773 -7.411 -2.828 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.566 -8.542 -2.831 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -1.015 -10.380 -3.463 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -2.327 -9.219 -3.506 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.178 -8.964 -5.222 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -1.272 -9.789 -5.760 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -1.956 -7.775 -6.547 1.00 0.69 H new ATOM 0 HE3 LYS A 85 -2.297 -7.361 -4.879 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 -0.934 -5.674 -5.904 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 -0.036 -6.452 -4.690 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 0.252 -6.815 -6.324 1.00 0.96 H new ATOM 1377 N GLU A 86 1.036 -10.171 -0.198 1.00 0.42 N ATOM 1378 CA GLU A 86 1.723 -11.428 0.167 1.00 0.46 C ATOM 1379 C GLU A 86 1.543 -11.796 1.664 1.00 0.52 C ATOM 1380 O GLU A 86 2.449 -12.380 2.270 1.00 0.92 O ATOM 1381 CB GLU A 86 3.223 -11.335 -0.208 1.00 0.49 C ATOM 1382 CG GLU A 86 3.494 -11.165 -1.710 1.00 0.55 C ATOM 1383 CD GLU A 86 3.293 -12.443 -2.509 1.00 1.03 C ATOM 1384 OE1 GLU A 86 4.143 -13.352 -2.399 1.00 1.52 O ATOM 1385 OE2 GLU A 86 2.280 -12.540 -3.235 1.00 1.65 O ATOM 0 H GLU A 86 1.551 -9.326 0.051 1.00 0.42 H new ATOM 0 HA GLU A 86 1.259 -12.234 -0.402 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.667 -10.495 0.326 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.728 -12.236 0.140 1.00 0.49 H new ATOM 0 HG2 GLU A 86 2.836 -10.391 -2.105 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.517 -10.815 -1.850 1.00 0.55 H new ATOM 1392 N ILE A 87 0.370 -11.463 2.260 1.00 0.44 N ATOM 1393 CA ILE A 87 0.070 -11.804 3.670 1.00 0.47 C ATOM 1394 C ILE A 87 -1.017 -12.901 3.740 1.00 0.51 C ATOM 1395 O ILE A 87 -0.920 -13.818 4.565 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.330 -10.532 4.523 1.00 0.51 C ATOM 1397 CG1 ILE A 87 -0.016 -10.744 6.042 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.782 -10.071 4.292 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -1.048 -11.513 6.858 1.00 0.66 C ATOM 0 H ILE A 87 -0.380 -10.960 1.786 1.00 0.44 H new ATOM 0 HA ILE A 87 0.984 -12.197 4.116 1.00 0.47 H new ATOM 0 HB ILE A 87 0.295 -9.715 4.163 1.00 0.51 H new ATOM 0 HG12 ILE A 87 0.937 -11.266 6.122 1.00 0.59 H new ATOM 0 HG13 ILE A 87 0.118 -9.764 6.501 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -1.988 -9.196 4.908 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.920 -9.816 3.241 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.466 -10.875 4.563 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -0.711 -11.590 7.892 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -2.002 -10.987 6.826 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -1.170 -12.513 6.441 1.00 0.66 H new ATOM 1411 N ARG A 88 -2.036 -12.805 2.857 1.00 0.54 N ATOM 1412 CA ARG A 88 -3.140 -13.776 2.814 1.00 0.68 C ATOM 1413 C ARG A 88 -3.034 -14.731 1.599 1.00 0.68 C ATOM 1414 O ARG A 88 -3.513 -15.868 1.676 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.512 -13.038 2.852 1.00 0.83 C ATOM 1416 CG ARG A 88 -5.018 -12.422 1.529 1.00 0.91 C ATOM 1417 CD ARG A 88 -4.584 -10.966 1.333 1.00 1.05 C ATOM 1418 NE ARG A 88 -4.760 -10.523 -0.059 1.00 1.18 N ATOM 1419 CZ ARG A 88 -4.473 -9.290 -0.526 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -4.124 -8.290 0.298 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -4.568 -9.053 -1.831 1.00 1.73 N ATOM 0 H ARG A 88 -2.112 -12.060 2.164 1.00 0.54 H new ATOM 0 HA ARG A 88 -3.065 -14.404 3.702 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.265 -13.742 3.207 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.447 -12.241 3.593 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -4.650 -13.019 0.694 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -6.106 -12.476 1.504 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -5.164 -10.322 1.995 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -3.538 -10.858 1.619 1.00 1.05 H new ATOM 0 HE ARG A 88 -5.129 -11.203 -0.724 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -4.071 -8.453 1.304 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -3.912 -7.367 -0.081 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -4.855 -9.799 -2.465 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -4.354 -8.126 -2.198 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.407 -14.272 0.487 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.258 -15.090 -0.734 1.00 0.64 C ATOM 1437 C LYS A 89 -0.799 -15.090 -1.269 1.00 0.58 C ATOM 1438 O LYS A 89 -0.578 -14.954 -2.480 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.255 -14.599 -1.816 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.070 -13.136 -2.251 1.00 0.77 C ATOM 1441 CD LYS A 89 -3.957 -12.752 -3.443 1.00 1.00 C ATOM 1442 CE LYS A 89 -3.577 -13.491 -4.734 1.00 1.22 C ATOM 1443 NZ LYS A 89 -4.163 -12.845 -5.940 1.00 1.52 N ATOM 0 H LYS A 89 -1.998 -13.340 0.415 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.490 -16.124 -0.478 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -3.160 -15.238 -2.694 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.270 -14.725 -1.438 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.296 -12.481 -1.410 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.025 -12.969 -2.513 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -4.997 -12.968 -3.200 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -3.886 -11.677 -3.611 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -2.492 -13.519 -4.829 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -3.919 -14.524 -4.674 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -3.882 -13.375 -6.789 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -5.200 -12.841 -5.862 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -3.817 -11.867 -6.013 1.00 1.52 H new ATOM 1457 N LYS A 90 0.197 -15.271 -0.369 1.00 0.56 N ATOM 1458 CA LYS A 90 1.626 -15.303 -0.775 1.00 0.55 C ATOM 1459 C LYS A 90 1.923 -16.490 -1.720 1.00 0.55 C ATOM 1460 O LYS A 90 2.706 -16.354 -2.665 1.00 0.60 O ATOM 1461 CB LYS A 90 2.579 -15.331 0.449 1.00 0.61 C ATOM 1462 CG LYS A 90 2.346 -16.483 1.453 1.00 0.71 C ATOM 1463 CD LYS A 90 1.708 -16.010 2.766 1.00 0.97 C ATOM 1464 CE LYS A 90 2.733 -15.439 3.751 1.00 1.39 C ATOM 1465 NZ LYS A 90 3.581 -16.501 4.372 1.00 1.87 N ATOM 0 H LYS A 90 0.042 -15.396 0.631 1.00 0.56 H new ATOM 0 HA LYS A 90 1.814 -14.378 -1.321 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.605 -15.392 0.086 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.485 -14.385 0.982 1.00 0.61 H new ATOM 0 HG2 LYS A 90 1.705 -17.235 0.993 1.00 0.71 H new ATOM 0 HG3 LYS A 90 3.298 -16.967 1.671 1.00 0.71 H new ATOM 0 HD2 LYS A 90 0.958 -15.250 2.547 1.00 0.97 H new ATOM 0 HD3 LYS A 90 1.188 -16.846 3.234 1.00 0.97 H new ATOM 0 HE2 LYS A 90 3.372 -14.725 3.232 1.00 1.39 H new ATOM 0 HE3 LYS A 90 2.212 -14.889 4.535 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 4.353 -16.058 4.910 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 3.000 -17.079 5.013 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 3.981 -17.106 3.627 1.00 1.87 H new ATOM 1479 N LYS A 91 1.284 -17.646 -1.450 1.00 0.57 N ATOM 1480 CA LYS A 91 1.446 -18.863 -2.257 1.00 0.64 C ATOM 1481 C LYS A 91 0.058 -19.381 -2.683 1.00 0.69 C ATOM 1482 O LYS A 91 -0.389 -20.441 -2.226 1.00 0.71 O ATOM 1483 CB LYS A 91 2.205 -19.948 -1.458 1.00 0.72 C ATOM 1484 CG LYS A 91 3.616 -19.558 -1.007 1.00 0.85 C ATOM 1485 CD LYS A 91 4.233 -20.638 -0.113 1.00 0.97 C ATOM 1486 CE LYS A 91 5.621 -20.257 0.398 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.679 -20.423 -0.643 1.00 1.53 N ATOM 0 H LYS A 91 0.642 -17.758 -0.665 1.00 0.57 H new ATOM 0 HA LYS A 91 2.031 -18.627 -3.146 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.617 -20.205 -0.577 1.00 0.72 H new ATOM 0 HB3 LYS A 91 2.272 -20.847 -2.070 1.00 0.72 H new ATOM 0 HG2 LYS A 91 4.249 -19.401 -1.880 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.579 -18.613 -0.466 1.00 0.85 H new ATOM 0 HD2 LYS A 91 3.575 -20.820 0.737 1.00 0.97 H new ATOM 0 HD3 LYS A 91 4.299 -21.572 -0.671 1.00 0.97 H new ATOM 0 HE2 LYS A 91 5.608 -19.221 0.737 1.00 1.29 H new ATOM 0 HE3 LYS A 91 5.868 -20.872 1.263 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.613 -20.250 -0.219 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.644 -21.391 -1.022 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.517 -19.744 -1.414 1.00 1.53 H new ATOM 1501 N ASP A 92 -0.634 -18.608 -3.552 1.00 0.78 N ATOM 1502 CA ASP A 92 -1.985 -18.973 -4.037 1.00 0.87 C ATOM 1503 C ASP A 92 -1.918 -20.128 -5.062 1.00 1.03 C ATOM 1504 O ASP A 92 -2.034 -19.915 -6.276 1.00 1.81 O ATOM 1505 CB ASP A 92 -2.736 -17.741 -4.617 1.00 0.89 C ATOM 1506 CG ASP A 92 -1.960 -16.988 -5.697 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -1.084 -16.171 -5.338 1.00 1.01 O ATOM 1508 OD2 ASP A 92 -2.230 -17.218 -6.897 1.00 1.18 O ATOM 0 H ASP A 92 -0.280 -17.730 -3.931 1.00 0.78 H new ATOM 0 HA ASP A 92 -2.557 -19.326 -3.179 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -3.688 -18.072 -5.033 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -2.966 -17.053 -3.803 1.00 0.89 H new ATOM 1513 N LEU A 93 -1.714 -21.358 -4.550 1.00 0.67 N ATOM 1514 CA LEU A 93 -1.619 -22.573 -5.387 1.00 0.70 C ATOM 1515 C LEU A 93 -1.685 -23.844 -4.512 1.00 0.70 C ATOM 1516 O LEU A 93 -2.501 -24.729 -4.775 1.00 0.79 O ATOM 1517 CB LEU A 93 -0.314 -22.567 -6.240 1.00 0.77 C ATOM 1518 CG LEU A 93 -0.340 -23.394 -7.552 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -1.298 -22.774 -8.579 1.00 1.24 C ATOM 1520 CD2 LEU A 93 1.072 -23.520 -8.138 1.00 1.15 C ATOM 0 H LEU A 93 -1.611 -21.538 -3.551 1.00 0.67 H new ATOM 0 HA LEU A 93 -2.469 -22.576 -6.069 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -0.077 -21.534 -6.493 1.00 0.77 H new ATOM 0 HB3 LEU A 93 0.501 -22.938 -5.619 1.00 0.77 H new ATOM 0 HG LEU A 93 -0.706 -24.392 -7.312 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -1.295 -23.375 -9.488 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -2.306 -22.746 -8.166 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -0.974 -21.760 -8.813 1.00 1.24 H new ATOM 0 HD21 LEU A 93 1.033 -24.103 -9.058 1.00 1.15 H new ATOM 0 HD22 LEU A 93 1.466 -22.527 -8.354 1.00 1.15 H new ATOM 0 HD23 LEU A 93 1.721 -24.019 -7.419 1.00 1.15 H new ATOM 1532 N LYS A 94 -0.822 -23.912 -3.471 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.769 -25.059 -2.545 1.00 0.77 C ATOM 1534 C LYS A 94 -1.519 -24.740 -1.233 1.00 0.71 C ATOM 1535 O LYS A 94 -2.358 -25.534 -0.792 1.00 0.77 O ATOM 1536 CB LYS A 94 0.705 -25.434 -2.254 1.00 0.92 C ATOM 1537 CG LYS A 94 0.909 -26.715 -1.428 1.00 1.09 C ATOM 1538 CD LYS A 94 0.597 -27.984 -2.227 1.00 1.23 C ATOM 1539 CE LYS A 94 0.862 -29.261 -1.422 1.00 1.57 C ATOM 1540 NZ LYS A 94 -0.020 -29.388 -0.218 1.00 1.73 N ATOM 0 H LYS A 94 -0.149 -23.177 -3.254 1.00 0.70 H new ATOM 0 HA LYS A 94 -1.263 -25.910 -3.015 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.228 -25.547 -3.204 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.176 -24.604 -1.728 1.00 0.92 H new ATOM 0 HG2 LYS A 94 1.940 -26.756 -1.075 1.00 1.09 H new ATOM 0 HG3 LYS A 94 0.271 -26.679 -0.545 1.00 1.09 H new ATOM 0 HD2 LYS A 94 -0.447 -27.965 -2.540 1.00 1.23 H new ATOM 0 HD3 LYS A 94 1.202 -27.997 -3.134 1.00 1.23 H new ATOM 0 HE2 LYS A 94 0.714 -30.127 -2.067 1.00 1.57 H new ATOM 0 HE3 LYS A 94 1.905 -29.274 -1.105 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 0.158 -30.301 0.248 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 0.186 -28.615 0.446 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 -1.017 -29.337 -0.511 1.00 1.73 H new ATOM 1554 N ILE A 95 -1.208 -23.577 -0.618 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.838 -23.147 0.648 1.00 0.67 C ATOM 1556 C ILE A 95 -2.829 -21.989 0.412 1.00 0.67 C ATOM 1557 O ILE A 95 -2.566 -21.098 -0.402 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.773 -22.736 1.723 1.00 0.75 C ATOM 1559 CG1 ILE A 95 0.157 -21.599 1.211 1.00 0.87 C ATOM 1560 CG2 ILE A 95 0.045 -23.962 2.156 1.00 0.85 C ATOM 1561 CD1 ILE A 95 1.075 -21.003 2.264 1.00 1.06 C ATOM 0 H ILE A 95 -0.520 -22.917 -0.981 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.388 -24.005 1.033 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.307 -22.346 2.590 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.767 -21.988 0.396 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.461 -20.803 0.796 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.781 -23.663 2.903 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.621 -24.712 2.583 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.557 -24.382 1.290 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.684 -20.219 1.814 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.477 -20.579 3.071 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.724 -21.782 2.664 1.00 1.06 H new ATOM 1573 N ARG A 96 -3.974 -22.015 1.129 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.008 -20.961 0.999 1.00 0.77 C ATOM 1575 C ARG A 96 -5.898 -20.840 2.262 1.00 0.77 C ATOM 1576 O ARG A 96 -7.107 -20.593 2.159 1.00 0.93 O ATOM 1577 CB ARG A 96 -5.865 -21.205 -0.269 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.504 -22.594 -0.365 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.235 -22.808 -1.699 1.00 1.26 C ATOM 1580 NE ARG A 96 -8.657 -23.136 -1.512 1.00 1.40 N ATOM 1581 CZ ARG A 96 -9.152 -24.359 -1.206 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -8.346 -25.422 -1.036 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -10.470 -24.512 -1.063 1.00 2.18 N ATOM 0 H ARG A 96 -4.206 -22.748 1.799 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.490 -20.008 0.897 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -6.656 -20.455 -0.304 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.239 -21.049 -1.147 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -5.732 -23.355 -0.250 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -7.207 -22.726 0.457 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.149 -21.907 -2.306 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -6.749 -23.612 -2.252 1.00 1.26 H new ATOM 0 HE ARG A 96 -9.329 -22.376 -1.622 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -7.336 -25.318 -1.137 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -8.744 -26.332 -0.806 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.092 -23.713 -1.184 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -10.855 -25.428 -0.833 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.288 -20.990 3.460 1.00 0.72 N ATOM 1598 CA LYS A 97 -6.021 -20.875 4.741 1.00 0.75 C ATOM 1599 C LYS A 97 -5.045 -20.631 5.915 1.00 0.74 C ATOM 1600 O LYS A 97 -4.494 -21.577 6.489 1.00 0.95 O ATOM 1601 CB LYS A 97 -6.919 -22.116 5.008 1.00 0.87 C ATOM 1602 CG LYS A 97 -6.234 -23.470 4.804 1.00 0.94 C ATOM 1603 CD LYS A 97 -7.091 -24.624 5.327 1.00 1.10 C ATOM 1604 CE LYS A 97 -6.398 -25.978 5.172 1.00 1.36 C ATOM 1605 NZ LYS A 97 -5.196 -26.114 6.051 1.00 1.74 N ATOM 0 H LYS A 97 -4.293 -21.190 3.566 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.681 -20.011 4.662 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -7.288 -22.064 6.032 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.788 -22.064 4.352 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -6.032 -23.619 3.743 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -5.271 -23.471 5.315 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -7.322 -24.455 6.379 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -8.040 -24.641 4.791 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -7.106 -26.773 5.406 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -6.100 -26.112 4.132 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -4.814 -27.078 5.970 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -4.471 -25.429 5.757 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -5.465 -25.930 7.039 1.00 1.74 H new ATOM 1619 N LYS A 98 -4.835 -19.342 6.257 1.00 0.69 N ATOM 1620 CA LYS A 98 -3.925 -18.938 7.345 1.00 0.72 C ATOM 1621 C LYS A 98 -4.575 -17.861 8.226 1.00 0.76 C ATOM 1622 O LYS A 98 -4.455 -17.887 9.452 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.600 -18.421 6.742 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.496 -18.117 7.763 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.294 -17.426 7.113 1.00 1.35 C ATOM 1626 CE LYS A 98 0.788 -17.054 8.130 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.556 -18.239 8.618 1.00 1.71 N ATOM 0 H LYS A 98 -5.289 -18.558 5.789 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.718 -19.803 7.975 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.226 -19.162 6.036 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -2.807 -17.515 6.173 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -1.897 -17.482 8.553 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.171 -19.045 8.234 1.00 1.04 H new ATOM 0 HD2 LYS A 98 0.134 -18.084 6.356 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.631 -16.525 6.599 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.477 -16.342 7.676 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.325 -16.552 8.979 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 2.274 -17.929 9.303 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.906 -18.909 9.077 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 2.023 -18.705 7.814 1.00 1.71 H new ATOM 1642 N MET B 1 -5.970 -17.418 2.479 1.00 0.85 N ATOM 1643 CA MET B 1 -6.852 -16.332 2.043 1.00 0.86 C ATOM 1644 C MET B 1 -7.228 -15.385 3.213 1.00 0.76 C ATOM 1645 O MET B 1 -8.029 -14.462 3.024 1.00 0.93 O ATOM 1646 CB MET B 1 -8.117 -16.899 1.362 1.00 1.04 C ATOM 1647 CG MET B 1 -9.042 -17.702 2.282 1.00 1.09 C ATOM 1648 SD MET B 1 -10.485 -18.365 1.424 1.00 1.44 S ATOM 1649 CE MET B 1 -11.383 -19.102 2.783 1.00 1.75 C ATOM 0 H1 MET B 1 -5.959 -18.167 1.758 1.00 0.85 H new ATOM 0 H2 MET B 1 -5.006 -17.051 2.611 1.00 0.85 H new ATOM 0 H3 MET B 1 -6.318 -17.808 3.378 1.00 0.85 H new ATOM 0 HA MET B 1 -6.303 -15.737 1.313 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.683 -16.071 0.935 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.810 -17.537 0.533 1.00 1.04 H new ATOM 0 HG2 MET B 1 -8.480 -18.524 2.726 1.00 1.09 H new ATOM 0 HG3 MET B 1 -9.374 -17.064 3.101 1.00 1.09 H new ATOM 0 HE1 MET B 1 -12.302 -19.554 2.409 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.767 -19.868 3.253 1.00 1.75 H new ATOM 0 HE3 MET B 1 -11.628 -18.334 3.516 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.637 -15.612 4.416 1.00 0.73 N ATOM 1660 CA ALA B 2 -6.894 -14.786 5.607 1.00 0.67 C ATOM 1661 C ALA B 2 -5.591 -14.153 6.122 1.00 0.60 C ATOM 1662 O ALA B 2 -4.518 -14.757 6.016 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.553 -15.626 6.701 1.00 0.78 C ATOM 0 H ALA B 2 -5.974 -16.370 4.578 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.575 -13.981 5.329 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -7.738 -15.003 7.576 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.498 -16.025 6.334 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -6.893 -16.450 6.974 1.00 0.78 H new ATOM 1669 N ALA B 3 -5.697 -12.931 6.685 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.537 -12.196 7.219 1.00 0.57 C ATOM 1671 C ALA B 3 -4.431 -12.360 8.749 1.00 0.58 C ATOM 1672 O ALA B 3 -5.396 -12.093 9.472 1.00 0.69 O ATOM 1673 CB ALA B 3 -4.633 -10.719 6.839 1.00 0.64 C ATOM 0 H ALA B 3 -6.582 -12.432 6.781 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.632 -12.614 6.778 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -3.771 -10.184 7.238 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -4.649 -10.623 5.753 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -5.547 -10.295 7.254 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.251 -12.807 9.229 1.00 0.56 N ATOM 1680 CA GLU B 4 -2.999 -13.025 10.670 1.00 0.59 C ATOM 1681 C GLU B 4 -1.847 -12.116 11.183 1.00 0.56 C ATOM 1682 O GLU B 4 -0.900 -11.860 10.435 1.00 0.54 O ATOM 1683 CB GLU B 4 -2.651 -14.516 10.900 1.00 0.66 C ATOM 1684 CG GLU B 4 -2.511 -14.928 12.367 1.00 0.79 C ATOM 1685 CD GLU B 4 -2.135 -16.393 12.536 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -3.045 -17.249 12.509 1.00 1.10 O ATOM 1687 OE2 GLU B 4 -0.930 -16.681 12.696 1.00 1.00 O ATOM 0 H GLU B 4 -2.452 -13.026 8.634 1.00 0.56 H new ATOM 0 HA GLU B 4 -3.897 -12.764 11.230 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -3.424 -15.130 10.438 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.717 -14.739 10.385 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -1.753 -14.306 12.843 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -3.451 -14.737 12.884 1.00 0.79 H new ATOM 1694 N PRO B 5 -1.903 -11.609 12.467 1.00 0.62 N ATOM 1695 CA PRO B 5 -0.833 -10.760 13.029 1.00 0.65 C ATOM 1696 C PRO B 5 0.398 -11.600 13.435 1.00 0.59 C ATOM 1697 O PRO B 5 0.263 -12.576 14.179 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.482 -10.091 14.264 1.00 0.83 C ATOM 1699 CG PRO B 5 -2.888 -10.599 14.340 1.00 0.80 C ATOM 1700 CD PRO B 5 -2.983 -11.811 13.458 1.00 0.73 C ATOM 0 HA PRO B 5 -0.465 -10.032 12.307 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -0.932 -10.338 15.172 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -1.468 -9.005 14.168 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -3.148 -10.852 15.368 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -3.590 -9.832 14.013 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -2.839 -12.731 14.025 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -3.959 -11.881 12.978 1.00 0.73 H new ATOM 1708 N LEU B 6 1.592 -11.209 12.939 1.00 0.61 N ATOM 1709 CA LEU B 6 2.853 -11.932 13.224 1.00 0.70 C ATOM 1710 C LEU B 6 3.930 -10.986 13.794 1.00 0.73 C ATOM 1711 O LEU B 6 4.411 -11.195 14.912 1.00 1.24 O ATOM 1712 CB LEU B 6 3.354 -12.614 11.931 1.00 0.87 C ATOM 1713 CG LEU B 6 2.500 -13.802 11.421 1.00 0.95 C ATOM 1714 CD1 LEU B 6 2.752 -14.055 9.933 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.776 -15.069 12.240 1.00 1.08 C ATOM 0 H LEU B 6 1.710 -10.394 12.337 1.00 0.61 H new ATOM 0 HA LEU B 6 2.656 -12.690 13.982 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.405 -11.863 11.143 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.371 -12.968 12.100 1.00 0.87 H new ATOM 0 HG LEU B 6 1.450 -13.539 11.549 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.141 -14.893 9.598 1.00 1.18 H new ATOM 0 HD12 LEU B 6 2.489 -13.164 9.363 1.00 1.18 H new ATOM 0 HD13 LEU B 6 3.805 -14.288 9.777 1.00 1.18 H new ATOM 0 HD21 LEU B 6 2.164 -15.888 11.861 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.830 -15.335 12.155 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.531 -14.887 13.286 1.00 1.08 H new ATOM 1727 N THR B 7 4.306 -9.955 13.007 1.00 0.52 N ATOM 1728 CA THR B 7 5.321 -8.958 13.406 1.00 0.50 C ATOM 1729 C THR B 7 4.710 -7.541 13.362 1.00 0.48 C ATOM 1730 O THR B 7 3.679 -7.337 12.721 1.00 0.53 O ATOM 1731 CB THR B 7 6.573 -9.028 12.473 1.00 0.53 C ATOM 1732 OG1 THR B 7 6.899 -10.396 12.185 1.00 0.92 O ATOM 1733 CG2 THR B 7 7.792 -8.351 13.105 1.00 1.06 C ATOM 0 H THR B 7 3.915 -9.791 12.079 1.00 0.52 H new ATOM 0 HA THR B 7 5.641 -9.183 14.423 1.00 0.50 H new ATOM 0 HB THR B 7 6.321 -8.499 11.554 1.00 0.53 H new ATOM 0 HG1 THR B 7 6.589 -10.623 11.283 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.641 -8.422 12.425 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.567 -7.302 13.297 1.00 1.06 H new ATOM 0 HG23 THR B 7 8.037 -8.847 14.044 1.00 1.06 H new ATOM 1741 N GLU B 8 5.349 -6.563 14.045 1.00 0.49 N ATOM 1742 CA GLU B 8 4.858 -5.162 14.080 1.00 0.49 C ATOM 1743 C GLU B 8 4.745 -4.527 12.672 1.00 0.44 C ATOM 1744 O GLU B 8 3.884 -3.665 12.457 1.00 0.47 O ATOM 1745 CB GLU B 8 5.754 -4.295 14.993 1.00 0.54 C ATOM 1746 CG GLU B 8 5.100 -2.987 15.449 1.00 0.95 C ATOM 1747 CD GLU B 8 5.894 -2.269 16.530 1.00 1.01 C ATOM 1748 OE1 GLU B 8 5.919 -2.765 17.678 1.00 1.51 O ATOM 1749 OE2 GLU B 8 6.485 -1.210 16.233 1.00 1.29 O ATOM 0 H GLU B 8 6.204 -6.716 14.579 1.00 0.49 H new ATOM 0 HA GLU B 8 3.849 -5.195 14.492 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.030 -4.877 15.872 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.677 -4.062 14.463 1.00 0.54 H new ATOM 0 HG2 GLU B 8 4.986 -2.326 14.590 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.098 -3.199 15.823 1.00 0.95 H new ATOM 1756 N LEU B 9 5.613 -4.942 11.721 1.00 0.42 N ATOM 1757 CA LEU B 9 5.575 -4.422 10.339 1.00 0.39 C ATOM 1758 C LEU B 9 4.530 -5.180 9.491 1.00 0.38 C ATOM 1759 O LEU B 9 3.877 -4.576 8.634 1.00 0.39 O ATOM 1760 CB LEU B 9 6.977 -4.492 9.691 1.00 0.41 C ATOM 1761 CG LEU B 9 8.068 -3.621 10.364 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.442 -3.913 9.764 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.742 -2.124 10.245 1.00 0.65 C ATOM 0 H LEU B 9 6.345 -5.633 11.887 1.00 0.42 H new ATOM 0 HA LEU B 9 5.273 -3.375 10.377 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.310 -5.530 9.698 1.00 0.41 H new ATOM 0 HB3 LEU B 9 6.891 -4.192 8.647 1.00 0.41 H new ATOM 0 HG LEU B 9 8.087 -3.880 11.423 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.192 -3.290 10.252 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.689 -4.964 9.915 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.427 -3.694 8.696 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.527 -1.541 10.727 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.680 -1.848 9.192 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.788 -1.920 10.731 1.00 0.65 H new ATOM 1775 N GLU B 10 4.381 -6.505 9.732 1.00 0.39 N ATOM 1776 CA GLU B 10 3.387 -7.340 9.015 1.00 0.41 C ATOM 1777 C GLU B 10 1.958 -7.058 9.525 1.00 0.42 C ATOM 1778 O GLU B 10 0.988 -7.187 8.771 1.00 0.47 O ATOM 1779 CB GLU B 10 3.693 -8.844 9.187 1.00 0.46 C ATOM 1780 CG GLU B 10 5.071 -9.273 8.697 1.00 0.50 C ATOM 1781 CD GLU B 10 5.278 -10.782 8.783 1.00 0.56 C ATOM 1782 OE1 GLU B 10 4.622 -11.516 8.012 1.00 0.95 O ATOM 1783 OE2 GLU B 10 6.085 -11.227 9.624 1.00 0.95 O ATOM 0 H GLU B 10 4.936 -7.018 10.417 1.00 0.39 H new ATOM 0 HA GLU B 10 3.453 -7.080 7.959 1.00 0.41 H new ATOM 0 HB2 GLU B 10 3.601 -9.101 10.242 1.00 0.46 H new ATOM 0 HB3 GLU B 10 2.937 -9.418 8.652 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.203 -8.950 7.664 1.00 0.50 H new ATOM 0 HG3 GLU B 10 5.836 -8.770 9.289 1.00 0.50 H new ATOM 1790 N GLU B 11 1.842 -6.684 10.820 1.00 0.42 N ATOM 1791 CA GLU B 11 0.549 -6.370 11.455 1.00 0.45 C ATOM 1792 C GLU B 11 -0.056 -5.067 10.880 1.00 0.43 C ATOM 1793 O GLU B 11 -1.279 -4.929 10.835 1.00 0.45 O ATOM 1794 CB GLU B 11 0.724 -6.273 12.990 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.578 -6.106 13.780 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.362 -6.153 15.284 1.00 0.70 C ATOM 1797 OE1 GLU B 11 -0.405 -7.263 15.857 1.00 0.82 O ATOM 1798 OE2 GLU B 11 -0.152 -5.080 15.890 1.00 0.85 O ATOM 0 H GLU B 11 2.640 -6.593 11.448 1.00 0.42 H new ATOM 0 HA GLU B 11 -0.150 -7.177 11.234 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.231 -7.172 13.340 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.378 -5.430 13.214 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -1.041 -5.156 13.513 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -1.276 -6.892 13.493 1.00 0.62 H new ATOM 1805 N SER B 12 0.810 -4.121 10.435 1.00 0.43 N ATOM 1806 CA SER B 12 0.365 -2.838 9.845 1.00 0.44 C ATOM 1807 C SER B 12 -0.512 -3.076 8.598 1.00 0.42 C ATOM 1808 O SER B 12 -1.657 -2.617 8.549 1.00 0.47 O ATOM 1809 CB SER B 12 1.576 -1.958 9.481 1.00 0.48 C ATOM 1810 OG SER B 12 2.275 -1.534 10.642 1.00 0.56 O ATOM 0 H SER B 12 1.824 -4.226 10.475 1.00 0.43 H new ATOM 0 HA SER B 12 -0.234 -2.318 10.592 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.251 -2.515 8.831 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.239 -1.087 8.919 1.00 0.48 H new ATOM 0 HG SER B 12 2.714 -2.304 11.059 1.00 0.56 H new ATOM 1816 N ILE B 13 0.034 -3.806 7.599 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.715 -4.139 6.365 1.00 0.41 C ATOM 1818 C ILE B 13 -1.866 -5.131 6.653 1.00 0.41 C ATOM 1819 O ILE B 13 -2.878 -5.121 5.951 1.00 0.48 O ATOM 1820 CB ILE B 13 0.206 -4.674 5.206 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.076 -5.900 5.622 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.101 -3.543 4.679 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.359 -7.239 5.595 1.00 0.45 C ATOM 0 H ILE B 13 0.985 -4.174 7.622 1.00 0.40 H new ATOM 0 HA ILE B 13 -1.145 -3.201 6.014 1.00 0.41 H new ATOM 0 HB ILE B 13 -0.459 -5.022 4.416 1.00 0.46 H new ATOM 0 HG12 ILE B 13 1.939 -5.955 4.959 1.00 0.45 H new ATOM 0 HG13 ILE B 13 1.457 -5.730 6.629 1.00 0.45 H new ATOM 0 HG21 ILE B 13 1.734 -3.924 3.878 1.00 0.53 H new ATOM 0 HG22 ILE B 13 0.478 -2.734 4.296 1.00 0.53 H new ATOM 0 HG23 ILE B 13 1.727 -3.167 5.488 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.048 -8.027 5.900 1.00 0.45 H new ATOM 0 HD12 ILE B 13 -0.488 -7.212 6.281 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.002 -7.440 4.585 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.708 -5.968 7.706 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.741 -6.945 8.110 1.00 0.43 C ATOM 1837 C GLU B 14 -3.995 -6.239 8.677 1.00 0.45 C ATOM 1838 O GLU B 14 -5.115 -6.675 8.405 1.00 0.48 O ATOM 1839 CB GLU B 14 -2.164 -7.945 9.146 1.00 0.46 C ATOM 1840 CG GLU B 14 -3.180 -8.911 9.778 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.725 -8.416 11.112 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -2.943 -8.345 12.083 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.931 -8.091 11.183 1.00 1.00 O ATOM 0 H GLU B 14 -0.872 -5.984 8.291 1.00 0.40 H new ATOM 0 HA GLU B 14 -3.045 -7.497 7.221 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -1.385 -8.533 8.661 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.685 -7.377 9.944 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -4.009 -9.060 9.086 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -2.707 -9.882 9.923 1.00 0.57 H new ATOM 1850 N THR B 15 -3.797 -5.154 9.465 1.00 0.45 N ATOM 1851 CA THR B 15 -4.915 -4.389 10.066 1.00 0.49 C ATOM 1852 C THR B 15 -5.844 -3.809 8.977 1.00 0.47 C ATOM 1853 O THR B 15 -7.065 -3.783 9.153 1.00 0.50 O ATOM 1854 CB THR B 15 -4.396 -3.242 10.986 1.00 0.54 C ATOM 1855 OG1 THR B 15 -3.363 -3.737 11.847 1.00 0.75 O ATOM 1856 CG2 THR B 15 -5.504 -2.656 11.859 1.00 0.88 C ATOM 0 H THR B 15 -2.873 -4.790 9.699 1.00 0.45 H new ATOM 0 HA THR B 15 -5.486 -5.088 10.678 1.00 0.49 H new ATOM 0 HB THR B 15 -4.017 -2.458 10.331 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.522 -3.799 11.347 1.00 0.75 H new ATOM 0 HG21 THR B 15 -5.094 -1.861 12.482 1.00 0.88 H new ATOM 0 HG22 THR B 15 -6.291 -2.250 11.224 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.918 -3.438 12.495 1.00 0.88 H new ATOM 1864 N VAL B 16 -5.253 -3.356 7.852 1.00 0.45 N ATOM 1865 CA VAL B 16 -6.022 -2.805 6.717 1.00 0.47 C ATOM 1866 C VAL B 16 -6.707 -3.952 5.925 1.00 0.47 C ATOM 1867 O VAL B 16 -7.788 -3.760 5.367 1.00 0.52 O ATOM 1868 CB VAL B 16 -5.116 -1.960 5.755 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.919 -1.336 4.603 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -4.362 -0.866 6.522 1.00 0.53 C ATOM 0 H VAL B 16 -4.244 -3.361 7.705 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.783 -2.142 7.128 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.392 -2.650 5.323 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -5.250 -0.760 3.963 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.390 -2.126 4.018 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.687 -0.678 5.009 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.742 -0.297 5.829 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -5.078 -0.198 7.001 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.729 -1.325 7.282 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.062 -5.143 5.897 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.587 -6.334 5.194 1.00 0.50 C ATOM 1882 C VAL B 17 -7.602 -7.134 6.071 1.00 0.57 C ATOM 1883 O VAL B 17 -8.163 -8.133 5.607 1.00 0.97 O ATOM 1884 CB VAL B 17 -5.397 -7.251 4.705 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -5.862 -8.583 4.088 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.516 -6.493 3.699 1.00 0.55 C ATOM 0 H VAL B 17 -5.167 -5.303 6.360 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.138 -5.988 4.319 1.00 0.50 H new ATOM 0 HB VAL B 17 -4.821 -7.500 5.596 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -4.993 -9.162 3.774 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -6.427 -9.149 4.828 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -6.495 -8.382 3.224 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -3.701 -7.138 3.371 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.116 -6.201 2.837 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.105 -5.602 4.174 1.00 0.55 H new ATOM 1896 N THR B 18 -7.859 -6.686 7.326 1.00 0.50 N ATOM 1897 CA THR B 18 -8.808 -7.372 8.228 1.00 0.52 C ATOM 1898 C THR B 18 -9.986 -6.467 8.642 1.00 0.54 C ATOM 1899 O THR B 18 -11.126 -6.937 8.700 1.00 0.67 O ATOM 1900 CB THR B 18 -8.098 -7.897 9.509 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.315 -6.850 10.101 1.00 0.58 O ATOM 1902 CG2 THR B 18 -7.194 -9.094 9.206 1.00 0.62 C ATOM 0 H THR B 18 -7.423 -5.857 7.731 1.00 0.50 H new ATOM 0 HA THR B 18 -9.203 -8.214 7.660 1.00 0.52 H new ATOM 0 HB THR B 18 -8.873 -8.222 10.203 1.00 0.56 H new ATOM 0 HG1 THR B 18 -6.503 -6.709 9.570 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.716 -9.431 10.126 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.791 -9.905 8.789 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.429 -8.800 8.487 1.00 0.62 H new ATOM 1910 N THR B 19 -9.714 -5.172 8.918 1.00 0.53 N ATOM 1911 CA THR B 19 -10.757 -4.218 9.351 1.00 0.57 C ATOM 1912 C THR B 19 -11.708 -3.823 8.201 1.00 0.57 C ATOM 1913 O THR B 19 -12.931 -3.927 8.354 1.00 0.66 O ATOM 1914 CB THR B 19 -10.128 -2.937 9.988 1.00 0.60 C ATOM 1915 OG1 THR B 19 -9.145 -3.313 10.967 1.00 0.61 O ATOM 1916 CG2 THR B 19 -11.182 -2.053 10.664 1.00 0.69 C ATOM 0 H THR B 19 -8.781 -4.765 8.848 1.00 0.53 H new ATOM 0 HA THR B 19 -11.348 -4.735 10.108 1.00 0.57 H new ATOM 0 HB THR B 19 -9.669 -2.367 9.180 1.00 0.60 H new ATOM 0 HG1 THR B 19 -8.297 -3.514 10.519 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.699 -1.175 11.093 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.920 -1.738 9.926 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.677 -2.617 11.454 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.154 -3.376 7.051 1.00 0.56 N ATOM 1925 CA PHE B 20 -11.983 -2.959 5.897 1.00 0.60 C ATOM 1926 C PHE B 20 -12.453 -4.152 5.035 1.00 0.60 C ATOM 1927 O PHE B 20 -13.503 -4.054 4.394 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.243 -1.926 5.015 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.110 -1.306 3.923 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.311 -0.674 4.242 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -11.732 -1.364 2.583 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.104 -0.118 3.259 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -12.529 -0.808 1.599 1.00 0.90 C ATOM 1934 CZ PHE B 20 -13.714 -0.185 1.937 1.00 0.97 C ATOM 0 H PHE B 20 -10.149 -3.295 6.898 1.00 0.56 H new ATOM 0 HA PHE B 20 -12.872 -2.491 6.320 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -10.856 -1.131 5.652 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -10.383 -2.410 4.551 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -13.625 -0.619 5.274 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -10.806 -1.849 2.310 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -15.030 0.370 3.524 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -12.224 -0.861 0.564 1.00 0.90 H new ATOM 0 HZ PHE B 20 -14.335 0.249 1.168 1.00 0.97 H new ATOM 1944 N PHE B 21 -11.687 -5.271 5.019 1.00 0.71 N ATOM 1945 CA PHE B 21 -12.059 -6.469 4.220 1.00 0.72 C ATOM 1946 C PHE B 21 -13.372 -7.118 4.714 1.00 0.68 C ATOM 1947 O PHE B 21 -14.025 -7.834 3.949 1.00 0.71 O ATOM 1948 CB PHE B 21 -10.910 -7.504 4.207 1.00 1.01 C ATOM 1949 CG PHE B 21 -9.920 -7.330 3.059 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -9.279 -6.111 2.837 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -9.629 -8.390 2.202 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -8.381 -5.961 1.795 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -8.731 -8.237 1.163 1.00 2.92 C ATOM 1954 CZ PHE B 21 -8.107 -7.023 0.959 1.00 3.08 C ATOM 0 H PHE B 21 -10.818 -5.371 5.543 1.00 0.71 H new ATOM 0 HA PHE B 21 -12.232 -6.128 3.199 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -10.369 -7.440 5.151 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -11.339 -8.505 4.153 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -9.486 -5.274 3.487 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -10.112 -9.344 2.352 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -7.894 -5.010 1.636 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -8.517 -9.069 0.509 1.00 2.92 H new ATOM 0 HZ PHE B 21 -7.406 -6.905 0.146 1.00 3.08 H new ATOM 1964 N THR B 22 -13.750 -6.868 5.992 1.00 0.76 N ATOM 1965 CA THR B 22 -15.008 -7.389 6.568 1.00 0.91 C ATOM 1966 C THR B 22 -16.232 -6.775 5.839 1.00 0.84 C ATOM 1967 O THR B 22 -17.292 -7.405 5.765 1.00 1.01 O ATOM 1968 CB THR B 22 -15.099 -7.082 8.099 1.00 1.10 C ATOM 1969 OG1 THR B 22 -13.843 -7.363 8.744 1.00 1.23 O ATOM 1970 CG2 THR B 22 -16.198 -7.893 8.790 1.00 1.37 C ATOM 0 H THR B 22 -13.198 -6.308 6.642 1.00 0.76 H new ATOM 0 HA THR B 22 -15.012 -8.470 6.431 1.00 0.91 H new ATOM 0 HB THR B 22 -15.343 -6.024 8.190 1.00 1.10 H new ATOM 0 HG1 THR B 22 -13.915 -7.164 9.701 1.00 1.23 H new ATOM 0 HG21 THR B 22 -16.221 -7.644 9.851 1.00 1.37 H new ATOM 0 HG22 THR B 22 -17.162 -7.656 8.341 1.00 1.37 H new ATOM 0 HG23 THR B 22 -15.994 -8.957 8.671 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.069 -5.534 5.320 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.123 -4.826 4.566 1.00 0.75 C ATOM 1980 C PHE B 23 -16.947 -5.013 3.042 1.00 0.70 C ATOM 1981 O PHE B 23 -17.938 -5.056 2.311 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.116 -3.316 4.920 1.00 0.84 C ATOM 1983 CG PHE B 23 -18.038 -2.932 6.062 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -17.857 -3.450 7.343 1.00 1.03 C ATOM 1985 CD2 PHE B 23 -19.088 -2.040 5.853 1.00 1.32 C ATOM 1986 CE1 PHE B 23 -18.701 -3.088 8.378 1.00 1.27 C ATOM 1987 CE2 PHE B 23 -19.928 -1.679 6.886 1.00 1.54 C ATOM 1988 CZ PHE B 23 -19.734 -2.202 8.148 1.00 1.48 C ATOM 0 H PHE B 23 -15.205 -5.000 5.414 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.083 -5.256 4.851 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -16.099 -3.021 5.177 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -17.399 -2.747 4.034 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -17.049 -4.142 7.530 1.00 1.03 H new ATOM 0 HD2 PHE B 23 -19.246 -1.625 4.868 1.00 1.32 H new ATOM 0 HE1 PHE B 23 -18.551 -3.499 9.366 1.00 1.27 H new ATOM 0 HE2 PHE B 23 -20.738 -0.987 6.707 1.00 1.54 H new ATOM 0 HZ PHE B 23 -20.391 -1.918 8.957 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.684 -5.126 2.573 1.00 0.61 N ATOM 1999 CA ALA B 24 -15.384 -5.303 1.134 1.00 0.67 C ATOM 2000 C ALA B 24 -15.815 -6.684 0.592 1.00 0.65 C ATOM 2001 O ALA B 24 -16.040 -6.824 -0.616 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.897 -5.075 0.860 1.00 0.77 C ATOM 0 H ALA B 24 -14.857 -5.098 3.169 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.972 -4.554 0.604 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.698 -5.210 -0.203 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.624 -4.062 1.155 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.308 -5.791 1.433 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.928 -7.698 1.480 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.334 -9.069 1.083 1.00 0.68 C ATOM 2010 C ARG B 25 -17.800 -9.149 0.589 1.00 0.70 C ATOM 2011 O ARG B 25 -18.135 -10.052 -0.187 1.00 0.87 O ATOM 2012 CB ARG B 25 -16.124 -10.072 2.245 1.00 0.77 C ATOM 2013 CG ARG B 25 -16.894 -9.737 3.530 1.00 0.80 C ATOM 2014 CD ARG B 25 -16.950 -10.916 4.495 1.00 1.01 C ATOM 2015 NE ARG B 25 -17.753 -10.624 5.697 1.00 1.10 N ATOM 2016 CZ ARG B 25 -17.901 -11.460 6.746 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -17.299 -12.657 6.772 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -18.658 -11.088 7.782 1.00 1.48 N ATOM 0 H ARG B 25 -15.744 -7.594 2.478 1.00 0.62 H new ATOM 0 HA ARG B 25 -15.690 -9.338 0.246 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -16.422 -11.065 1.908 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -15.060 -10.120 2.477 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -16.421 -8.888 4.024 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -17.908 -9.431 3.274 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -17.370 -11.781 3.982 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -15.937 -11.184 4.795 1.00 1.01 H new ATOM 0 HE ARG B 25 -18.232 -9.724 5.739 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -16.716 -12.952 5.989 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -17.424 -13.274 7.575 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -19.119 -10.178 7.776 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -18.775 -11.714 8.579 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.667 -8.210 1.046 1.00 0.71 N ATOM 2033 CA GLN B 26 -20.103 -8.169 0.665 1.00 0.79 C ATOM 2034 C GLN B 26 -20.312 -8.288 -0.863 1.00 0.73 C ATOM 2035 O GLN B 26 -21.221 -8.999 -1.308 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.761 -6.870 1.187 1.00 0.90 C ATOM 2037 CG GLN B 26 -22.290 -6.862 1.125 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.905 -5.562 1.633 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -23.106 -4.618 0.867 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -23.209 -5.502 2.931 1.00 1.68 N ATOM 0 H GLN B 26 -18.393 -7.464 1.685 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.580 -9.033 1.128 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -20.451 -6.711 2.220 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.382 -6.028 0.607 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.606 -7.028 0.095 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.675 -7.694 1.715 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -23.028 -6.304 3.535 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -23.622 -4.654 3.319 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.468 -7.590 -1.648 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.541 -7.619 -3.121 1.00 0.71 C ATOM 2051 C GLU B 27 -18.635 -8.735 -3.688 1.00 0.88 C ATOM 2052 O GLU B 27 -17.946 -9.422 -2.924 1.00 1.45 O ATOM 2053 CB GLU B 27 -19.152 -6.232 -3.693 1.00 0.83 C ATOM 2054 CG GLU B 27 -20.063 -5.081 -3.246 1.00 0.93 C ATOM 2055 CD GLU B 27 -21.470 -5.164 -3.822 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -21.676 -4.687 -4.959 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -22.363 -5.704 -3.136 1.00 1.16 O ATOM 0 H GLU B 27 -18.724 -6.996 -1.283 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.564 -7.841 -3.424 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -18.128 -6.005 -3.396 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -19.163 -6.286 -4.782 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -20.124 -5.077 -2.158 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -19.612 -4.134 -3.543 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.645 -8.917 -5.031 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.843 -9.960 -5.691 1.00 0.86 C ATOM 2066 C GLY B 28 -16.342 -9.900 -5.380 1.00 0.69 C ATOM 2067 O GLY B 28 -15.801 -8.818 -5.143 1.00 0.66 O ATOM 0 H GLY B 28 -19.201 -8.352 -5.673 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.224 -10.937 -5.393 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.981 -9.879 -6.769 1.00 0.86 H new ATOM 2071 N ARG B 29 -15.674 -11.085 -5.402 1.00 0.68 N ATOM 2072 CA ARG B 29 -14.222 -11.228 -5.115 1.00 0.65 C ATOM 2073 C ARG B 29 -13.864 -10.785 -3.679 1.00 0.62 C ATOM 2074 O ARG B 29 -14.177 -9.660 -3.275 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.342 -10.459 -6.142 1.00 0.66 C ATOM 2076 CG ARG B 29 -13.099 -11.194 -7.463 1.00 0.84 C ATOM 2077 CD ARG B 29 -14.289 -11.129 -8.420 1.00 1.28 C ATOM 2078 NE ARG B 29 -14.068 -11.946 -9.625 1.00 1.44 N ATOM 2079 CZ ARG B 29 -15.032 -12.365 -10.470 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -16.301 -11.946 -10.352 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -14.711 -13.197 -11.460 1.00 2.09 N ATOM 0 H ARG B 29 -16.130 -11.971 -5.620 1.00 0.68 H new ATOM 0 HA ARG B 29 -14.005 -12.292 -5.208 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.815 -9.501 -6.358 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.378 -10.242 -5.682 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -12.224 -10.766 -7.953 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -12.868 -12.238 -7.252 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -15.187 -11.474 -7.907 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -14.465 -10.093 -8.711 1.00 1.28 H new ATOM 0 HE ARG B 29 -13.108 -12.217 -9.838 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -16.556 -11.295 -9.610 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -17.011 -12.279 -11.005 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -13.746 -13.509 -11.571 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -15.430 -13.522 -12.106 1.00 2.09 H new ATOM 2095 N LYS B 30 -13.188 -11.673 -2.920 1.00 0.64 N ATOM 2096 CA LYS B 30 -12.774 -11.369 -1.531 1.00 0.65 C ATOM 2097 C LYS B 30 -11.498 -10.511 -1.496 1.00 0.63 C ATOM 2098 O LYS B 30 -11.279 -9.769 -0.531 1.00 0.67 O ATOM 2099 CB LYS B 30 -12.551 -12.660 -0.717 1.00 0.73 C ATOM 2100 CG LYS B 30 -13.792 -13.541 -0.559 1.00 0.79 C ATOM 2101 CD LYS B 30 -14.881 -12.878 0.296 1.00 0.87 C ATOM 2102 CE LYS B 30 -16.086 -13.796 0.510 1.00 1.01 C ATOM 2103 NZ LYS B 30 -16.880 -14.010 -0.738 1.00 1.11 N ATOM 0 H LYS B 30 -12.918 -12.602 -3.242 1.00 0.64 H new ATOM 0 HA LYS B 30 -13.587 -10.802 -1.078 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -11.766 -13.245 -1.197 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -12.186 -12.390 0.274 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -14.198 -13.770 -1.544 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -13.505 -14.489 -0.104 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -14.462 -12.600 1.263 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -15.209 -11.957 -0.186 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -15.741 -14.759 0.885 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -16.731 -13.368 1.277 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -17.683 -14.639 -0.535 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -17.235 -13.096 -1.085 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -16.275 -14.444 -1.464 1.00 1.11 H new ATOM 2117 N ASP B 31 -10.656 -10.612 -2.548 1.00 0.65 N ATOM 2118 CA ASP B 31 -9.409 -9.832 -2.643 1.00 0.69 C ATOM 2119 C ASP B 31 -9.628 -8.565 -3.503 1.00 0.64 C ATOM 2120 O ASP B 31 -8.766 -8.192 -4.306 1.00 0.88 O ATOM 2121 CB ASP B 31 -8.274 -10.707 -3.227 1.00 0.83 C ATOM 2122 CG ASP B 31 -7.974 -11.934 -2.375 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -7.401 -11.771 -1.274 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -8.316 -13.056 -2.807 1.00 1.24 O ATOM 0 H ASP B 31 -10.821 -11.229 -3.344 1.00 0.65 H new ATOM 0 HA ASP B 31 -9.116 -9.515 -1.642 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -8.549 -11.027 -4.232 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -7.370 -10.106 -3.320 1.00 0.83 H new ATOM 2129 N SER B 32 -10.788 -7.895 -3.310 1.00 0.65 N ATOM 2130 CA SER B 32 -11.137 -6.679 -4.059 1.00 0.59 C ATOM 2131 C SER B 32 -11.966 -5.710 -3.199 1.00 0.57 C ATOM 2132 O SER B 32 -12.857 -6.136 -2.457 1.00 0.64 O ATOM 2133 CB SER B 32 -11.913 -7.040 -5.336 1.00 0.59 C ATOM 2134 OG SER B 32 -13.217 -7.518 -5.038 1.00 1.13 O ATOM 0 H SER B 32 -11.498 -8.183 -2.636 1.00 0.65 H new ATOM 0 HA SER B 32 -10.207 -6.181 -4.333 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.985 -6.163 -5.979 1.00 0.59 H new ATOM 0 HB3 SER B 32 -11.365 -7.800 -5.893 1.00 0.59 H new ATOM 0 HG SER B 32 -13.157 -8.246 -4.385 1.00 1.13 H new ATOM 2140 N LEU B 33 -11.663 -4.404 -3.319 1.00 0.55 N ATOM 2141 CA LEU B 33 -12.366 -3.346 -2.583 1.00 0.56 C ATOM 2142 C LEU B 33 -13.447 -2.737 -3.499 1.00 0.55 C ATOM 2143 O LEU B 33 -13.155 -2.393 -4.649 1.00 0.72 O ATOM 2144 CB LEU B 33 -11.367 -2.257 -2.112 1.00 0.59 C ATOM 2145 CG LEU B 33 -10.391 -2.640 -0.960 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -9.449 -3.793 -1.340 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -9.572 -1.421 -0.539 1.00 0.75 C ATOM 0 H LEU B 33 -10.924 -4.057 -3.930 1.00 0.55 H new ATOM 0 HA LEU B 33 -12.839 -3.768 -1.696 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -10.772 -1.950 -2.972 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -11.941 -1.386 -1.794 1.00 0.59 H new ATOM 0 HG LEU B 33 -11.003 -2.984 -0.126 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -8.791 -4.017 -0.500 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.037 -4.677 -1.587 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -8.849 -3.504 -2.203 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -8.893 -1.700 0.267 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -8.996 -1.058 -1.390 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -10.242 -0.634 -0.193 1.00 0.75 H new ATOM 2159 N SER B 34 -14.691 -2.604 -2.992 1.00 0.52 N ATOM 2160 CA SER B 34 -15.822 -2.064 -3.788 1.00 0.53 C ATOM 2161 C SER B 34 -15.591 -0.602 -4.223 1.00 0.50 C ATOM 2162 O SER B 34 -14.876 0.147 -3.551 1.00 0.52 O ATOM 2163 CB SER B 34 -17.142 -2.180 -3.004 1.00 0.62 C ATOM 2164 OG SER B 34 -18.244 -1.684 -3.752 1.00 0.69 O ATOM 0 H SER B 34 -14.941 -2.862 -2.037 1.00 0.52 H new ATOM 0 HA SER B 34 -15.886 -2.667 -4.694 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.320 -3.223 -2.743 1.00 0.62 H new ATOM 0 HB3 SER B 34 -17.059 -1.627 -2.068 1.00 0.62 H new ATOM 0 HG SER B 34 -19.065 -1.775 -3.224 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.217 -0.212 -5.355 1.00 0.52 N ATOM 2171 CA VAL B 35 -16.092 1.152 -5.915 1.00 0.53 C ATOM 2172 C VAL B 35 -16.904 2.209 -5.112 1.00 0.48 C ATOM 2173 O VAL B 35 -16.582 3.400 -5.170 1.00 0.52 O ATOM 2174 CB VAL B 35 -16.490 1.176 -7.437 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -17.989 0.920 -7.659 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -16.046 2.477 -8.123 1.00 0.71 C ATOM 0 H VAL B 35 -16.818 -0.828 -5.902 1.00 0.52 H new ATOM 0 HA VAL B 35 -15.042 1.430 -5.826 1.00 0.53 H new ATOM 0 HB VAL B 35 -15.952 0.351 -7.904 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -18.209 0.948 -8.726 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -18.254 -0.059 -7.259 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -18.569 1.689 -7.149 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -16.340 2.454 -9.172 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.520 3.327 -7.632 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -14.963 2.575 -8.052 1.00 0.71 H new ATOM 2186 N ASN B 36 -17.941 1.771 -4.363 1.00 0.47 N ATOM 2187 CA ASN B 36 -18.787 2.680 -3.558 1.00 0.48 C ATOM 2188 C ASN B 36 -18.368 2.709 -2.071 1.00 0.46 C ATOM 2189 O ASN B 36 -18.532 3.738 -1.409 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.270 2.266 -3.678 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.237 3.307 -3.116 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -21.645 4.226 -3.826 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -21.609 3.171 -1.839 1.00 0.79 N ATOM 0 H ASN B 36 -18.212 0.790 -4.300 1.00 0.47 H new ATOM 0 HA ASN B 36 -18.650 3.686 -3.955 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.507 2.090 -4.727 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.420 1.322 -3.155 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -22.253 3.843 -1.421 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -21.249 2.396 -1.283 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.831 1.586 -1.551 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.420 1.487 -0.135 1.00 0.50 C ATOM 2202 C GLU B 37 -16.068 2.171 0.145 1.00 0.45 C ATOM 2203 O GLU B 37 -15.875 2.699 1.244 1.00 0.46 O ATOM 2204 CB GLU B 37 -17.359 0.015 0.320 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.698 -0.721 0.246 1.00 0.69 C ATOM 2206 CD GLU B 37 -18.656 -2.090 0.903 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -18.931 -2.173 2.120 1.00 1.28 O ATOM 2208 OE2 GLU B 37 -18.342 -3.076 0.205 1.00 1.61 O ATOM 0 H GLU B 37 -17.672 0.735 -2.090 1.00 0.46 H new ATOM 0 HA GLU B 37 -18.181 2.016 0.439 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.632 -0.514 -0.296 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -16.994 -0.021 1.346 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -19.467 -0.116 0.727 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -18.988 -0.833 -0.799 1.00 0.69 H new ATOM 2215 N PHE B 38 -15.134 2.169 -0.837 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.806 2.797 -0.644 1.00 0.43 C ATOM 2217 C PHE B 38 -13.918 4.334 -0.514 1.00 0.39 C ATOM 2218 O PHE B 38 -13.186 4.937 0.271 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.805 2.370 -1.760 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.701 3.291 -2.966 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.627 3.220 -3.999 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -11.672 4.226 -3.060 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.530 4.057 -5.093 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -11.575 5.062 -4.154 1.00 0.65 C ATOM 2225 CZ PHE B 38 -12.505 4.977 -5.170 1.00 0.66 C ATOM 0 H PHE B 38 -15.272 1.747 -1.755 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.402 2.430 0.300 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.815 2.279 -1.314 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -13.089 1.378 -2.112 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.432 2.502 -3.946 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -10.942 4.297 -2.267 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -14.257 3.991 -5.889 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -10.772 5.782 -4.215 1.00 0.65 H new ATOM 0 HZ PHE B 38 -12.430 5.631 -6.026 1.00 0.66 H new ATOM 2235 N LYS B 39 -14.842 4.954 -1.284 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.064 6.418 -1.237 1.00 0.38 C ATOM 2237 C LYS B 39 -15.641 6.851 0.127 1.00 0.36 C ATOM 2238 O LYS B 39 -15.320 7.938 0.619 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.003 6.866 -2.378 1.00 0.43 C ATOM 2240 CG LYS B 39 -15.912 8.357 -2.720 1.00 0.50 C ATOM 2241 CD LYS B 39 -16.966 8.772 -3.749 1.00 0.60 C ATOM 2242 CE LYS B 39 -16.840 10.246 -4.154 1.00 0.70 C ATOM 2243 NZ LYS B 39 -15.671 10.504 -5.051 1.00 0.81 N ATOM 0 H LYS B 39 -15.445 4.464 -1.945 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.097 6.903 -1.369 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -15.773 6.285 -3.271 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.031 6.631 -2.101 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -16.040 8.946 -1.812 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -14.918 8.580 -3.108 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -16.871 8.145 -4.636 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -17.960 8.595 -3.339 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -17.755 10.559 -4.658 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -16.745 10.858 -3.257 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -15.635 11.515 -5.292 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -14.793 10.233 -4.564 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -15.771 9.944 -5.921 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.502 5.997 0.726 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.109 6.275 2.044 1.00 0.38 C ATOM 2259 C GLU B 40 -16.070 6.133 3.173 1.00 0.38 C ATOM 2260 O GLU B 40 -16.137 6.862 4.169 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.315 5.351 2.304 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.498 5.604 1.370 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.696 4.717 1.668 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -20.552 3.478 1.596 1.00 0.63 O ATOM 2265 OE2 GLU B 40 -21.782 5.263 1.969 1.00 0.69 O ATOM 0 H GLU B 40 -16.791 5.109 0.315 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.464 7.306 2.033 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -17.996 4.314 2.198 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.644 5.480 3.335 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.799 6.649 1.450 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.181 5.441 0.340 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.112 5.185 3.014 1.00 0.37 N ATOM 2273 CA LEU B 41 -14.032 4.964 4.002 1.00 0.40 C ATOM 2274 C LEU B 41 -13.143 6.223 4.130 1.00 0.38 C ATOM 2275 O LEU B 41 -12.665 6.537 5.223 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.169 3.741 3.599 1.00 0.44 C ATOM 2277 CG LEU B 41 -12.144 3.236 4.649 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -12.841 2.536 5.819 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.114 2.306 3.996 1.00 0.64 C ATOM 0 H LEU B 41 -15.068 4.561 2.208 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.492 4.764 4.970 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.839 2.917 3.354 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.627 3.992 2.687 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.621 4.105 5.047 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -12.094 2.195 6.536 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -13.521 3.234 6.308 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.405 1.680 5.447 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.405 1.963 4.749 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.624 1.447 3.560 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.580 2.846 3.214 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.937 6.938 2.998 1.00 0.37 N ATOM 2292 CA VAL B 42 -12.122 8.173 2.971 1.00 0.38 C ATOM 2293 C VAL B 42 -12.877 9.369 3.602 1.00 0.39 C ATOM 2294 O VAL B 42 -12.248 10.234 4.216 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.663 8.539 1.513 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.824 9.826 1.481 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.881 7.384 0.877 1.00 0.47 C ATOM 0 H VAL B 42 -13.325 6.679 2.091 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.233 7.970 3.569 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.567 8.715 0.931 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.528 10.042 0.454 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.415 10.655 1.870 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -9.933 9.695 2.096 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.575 7.663 -0.131 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -9.997 7.169 1.478 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.514 6.498 0.832 1.00 0.47 H new ATOM 2307 N THR B 43 -14.218 9.405 3.458 1.00 0.38 N ATOM 2308 CA THR B 43 -15.046 10.497 4.012 1.00 0.42 C ATOM 2309 C THR B 43 -15.633 10.126 5.403 1.00 0.48 C ATOM 2310 O THR B 43 -16.741 10.560 5.749 1.00 0.83 O ATOM 2311 CB THR B 43 -16.200 10.875 3.019 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.771 10.701 1.654 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.673 12.324 3.218 1.00 0.49 C ATOM 0 H THR B 43 -14.751 8.690 2.963 1.00 0.38 H new ATOM 0 HA THR B 43 -14.396 11.362 4.145 1.00 0.42 H new ATOM 0 HB THR B 43 -17.035 10.207 3.231 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.696 9.745 1.454 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.473 12.546 2.511 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.043 12.449 4.236 1.00 0.49 H new ATOM 0 HG23 THR B 43 -15.839 13.005 3.048 1.00 0.49 H new ATOM 2321 N GLN B 44 -14.881 9.341 6.217 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.354 8.924 7.554 1.00 0.44 C ATOM 2323 C GLN B 44 -14.199 8.429 8.455 1.00 0.44 C ATOM 2324 O GLN B 44 -14.035 8.935 9.571 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.446 7.830 7.420 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.148 7.455 8.730 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.325 6.503 8.521 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.458 6.940 8.317 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.068 5.194 8.574 1.00 0.98 N ATOM 0 H GLN B 44 -13.956 8.990 5.971 1.00 0.42 H new ATOM 0 HA GLN B 44 -15.783 9.802 8.036 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.197 8.172 6.707 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -15.992 6.933 6.999 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.427 6.991 9.403 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -17.503 8.362 9.219 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -17.117 4.868 8.745 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -18.823 4.520 8.443 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.403 7.450 7.968 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.288 6.868 8.752 1.00 0.43 C ATOM 2340 C GLN B 45 -10.890 7.291 8.247 1.00 0.41 C ATOM 2341 O GLN B 45 -9.912 7.160 8.991 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.402 5.327 8.764 1.00 0.47 C ATOM 2343 CG GLN B 45 -11.689 4.658 9.943 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.097 3.201 10.151 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.403 2.483 9.194 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.112 2.752 11.408 1.00 0.73 N ATOM 0 H GLN B 45 -13.511 7.047 7.037 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.382 7.263 9.764 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.456 5.051 8.787 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -11.990 4.935 7.834 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -10.612 4.707 9.782 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -11.901 5.220 10.852 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -11.853 3.373 12.175 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -12.382 1.788 11.602 1.00 0.73 H new ATOM 2355 N LEU B 46 -10.790 7.797 6.998 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.497 8.222 6.422 1.00 0.38 C ATOM 2357 C LEU B 46 -9.543 9.681 5.851 1.00 0.38 C ATOM 2358 O LEU B 46 -8.930 9.941 4.810 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.102 7.206 5.313 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.598 6.853 5.210 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -7.184 5.860 6.302 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.274 6.292 3.825 1.00 0.62 C ATOM 0 H LEU B 46 -11.586 7.920 6.372 1.00 0.39 H new ATOM 0 HA LEU B 46 -8.748 8.234 7.214 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.659 6.284 5.480 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.426 7.605 4.352 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.028 7.770 5.358 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -6.123 5.632 6.203 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.371 6.298 7.282 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.763 4.943 6.198 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.213 6.049 3.770 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.862 5.391 3.651 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.516 7.036 3.066 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.237 10.673 6.522 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.314 12.064 6.015 1.00 0.42 C ATOM 2376 C PRO B 47 -9.067 12.932 6.315 1.00 0.42 C ATOM 2377 O PRO B 47 -8.718 13.796 5.504 1.00 0.46 O ATOM 2378 CB PRO B 47 -11.553 12.616 6.730 1.00 0.48 C ATOM 2379 CG PRO B 47 -11.563 11.913 8.044 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.017 10.531 7.786 1.00 0.44 C ATOM 0 HA PRO B 47 -10.367 12.083 4.926 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -11.490 13.697 6.857 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.462 12.414 6.164 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -10.951 12.443 8.774 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -12.573 11.863 8.451 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.385 10.193 8.607 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -11.819 9.800 7.679 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.410 12.714 7.477 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.211 13.493 7.864 1.00 0.44 C ATOM 2390 C HIS B 48 -5.979 13.094 7.034 1.00 0.43 C ATOM 2391 O HIS B 48 -5.142 13.947 6.725 1.00 0.49 O ATOM 2392 CB HIS B 48 -6.912 13.336 9.368 1.00 0.49 C ATOM 2393 CG HIS B 48 -7.970 13.933 10.252 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -8.995 13.194 10.805 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -8.173 15.213 10.657 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -9.781 13.992 11.509 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -9.301 15.219 11.436 1.00 0.81 N ATOM 0 H HIS B 48 -8.688 12.009 8.160 1.00 0.42 H new ATOM 0 HA HIS B 48 -7.430 14.541 7.658 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -6.809 12.276 9.602 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -5.954 13.806 9.592 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -7.560 16.067 10.411 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -10.665 13.691 12.051 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -9.705 16.040 11.887 1.00 0.81 H new ATOM 2406 N LEU B 49 -5.871 11.799 6.679 1.00 0.41 N ATOM 2407 CA LEU B 49 -4.749 11.292 5.869 1.00 0.42 C ATOM 2408 C LEU B 49 -4.849 11.816 4.424 1.00 0.40 C ATOM 2409 O LEU B 49 -3.874 12.352 3.891 1.00 0.48 O ATOM 2410 CB LEU B 49 -4.724 9.749 5.902 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.475 9.064 5.299 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.207 9.419 6.084 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.669 7.547 5.243 1.00 0.62 C ATOM 0 H LEU B 49 -6.550 11.084 6.942 1.00 0.41 H new ATOM 0 HA LEU B 49 -3.813 11.656 6.293 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -4.821 9.429 6.939 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.603 9.383 5.372 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.349 9.436 4.282 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.349 8.921 5.633 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.054 10.498 6.060 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.315 9.091 7.118 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.780 7.082 4.816 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -3.831 7.163 6.250 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.534 7.314 4.623 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.037 11.651 3.797 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.285 12.143 2.434 1.00 0.41 C ATOM 2427 C LEU B 50 -7.044 13.483 2.527 1.00 0.45 C ATOM 2428 O LEU B 50 -8.255 13.497 2.777 1.00 0.52 O ATOM 2429 CB LEU B 50 -7.080 11.097 1.597 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.490 9.659 1.547 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.364 8.743 0.686 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -5.047 9.657 1.029 1.00 0.70 C ATOM 0 H LEU B 50 -6.836 11.179 4.220 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.336 12.300 1.922 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -8.092 11.037 1.997 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -7.162 11.468 0.575 1.00 0.44 H new ATOM 0 HG LEU B 50 -6.479 9.277 2.568 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.932 7.742 0.665 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.368 8.696 1.108 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.415 9.137 -0.329 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.669 8.635 1.008 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -5.021 10.074 0.022 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.423 10.261 1.688 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.314 14.617 2.350 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.909 15.982 2.451 1.00 0.58 C ATOM 2446 C LYS B 51 -8.128 16.197 1.530 1.00 0.53 C ATOM 2447 O LYS B 51 -9.017 16.989 1.865 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.851 17.100 2.226 1.00 0.68 C ATOM 2449 CG LYS B 51 -5.347 17.305 0.780 1.00 0.72 C ATOM 2450 CD LYS B 51 -4.262 16.300 0.384 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.621 16.623 -0.969 1.00 1.03 C ATOM 2452 NZ LYS B 51 -2.888 17.930 -0.978 1.00 1.23 N ATOM 0 H LYS B 51 -5.316 14.615 2.137 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.274 16.054 3.475 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -6.274 18.042 2.575 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -4.990 16.884 2.858 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -6.187 17.217 0.091 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -4.955 18.317 0.676 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -3.489 16.284 1.153 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -4.695 15.300 0.347 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.929 15.824 -1.236 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -4.396 16.643 -1.735 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -2.594 18.156 -1.950 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -3.513 18.681 -0.621 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -2.048 17.861 -0.369 1.00 1.23 H new ATOM 2466 N ASP B 52 -8.161 15.504 0.374 1.00 0.48 N ATOM 2467 CA ASP B 52 -9.275 15.620 -0.574 1.00 0.54 C ATOM 2468 C ASP B 52 -10.231 14.426 -0.431 1.00 0.48 C ATOM 2469 O ASP B 52 -10.030 13.381 -1.062 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.751 15.734 -2.022 1.00 0.69 C ATOM 2471 CG ASP B 52 -8.182 17.111 -2.335 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -8.973 18.078 -2.410 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -6.948 17.224 -2.495 1.00 1.94 O ATOM 0 H ASP B 52 -7.427 14.860 0.079 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.829 16.530 -0.343 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -7.980 14.981 -2.185 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -9.562 15.515 -2.716 1.00 0.69 H new ATOM 2478 N VAL B 53 -11.259 14.579 0.437 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.272 13.521 0.655 1.00 0.45 C ATOM 2480 C VAL B 53 -13.296 13.510 -0.499 1.00 0.46 C ATOM 2481 O VAL B 53 -13.734 12.440 -0.932 1.00 0.57 O ATOM 2482 CB VAL B 53 -13.010 13.636 2.042 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -12.035 13.413 3.196 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.757 14.972 2.210 1.00 0.58 C ATOM 0 H VAL B 53 -11.408 15.420 0.994 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.729 12.576 0.673 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.764 12.849 2.061 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -12.567 13.497 4.143 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.595 12.419 3.114 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -11.245 14.163 3.155 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -14.246 14.995 3.184 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -13.048 15.797 2.141 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -14.506 15.071 1.425 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.666 14.715 -0.991 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.605 14.838 -2.106 1.00 0.51 C ATOM 2496 C GLY B 54 -13.934 14.616 -3.461 1.00 0.51 C ATOM 2497 O GLY B 54 -14.477 13.899 -4.311 1.00 0.67 O ATOM 0 H GLY B 54 -13.325 15.606 -0.629 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.411 14.115 -1.980 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -15.060 15.828 -2.087 1.00 0.51 H new ATOM 2501 N SER B 55 -12.749 15.236 -3.661 1.00 0.51 N ATOM 2502 CA SER B 55 -11.983 15.103 -4.914 1.00 0.57 C ATOM 2503 C SER B 55 -11.140 13.813 -4.895 1.00 0.52 C ATOM 2504 O SER B 55 -9.931 13.844 -4.628 1.00 0.63 O ATOM 2505 CB SER B 55 -11.097 16.344 -5.150 1.00 0.74 C ATOM 2506 OG SER B 55 -10.325 16.216 -6.336 1.00 0.92 O ATOM 0 H SER B 55 -12.304 15.835 -2.966 1.00 0.51 H new ATOM 0 HA SER B 55 -12.687 15.036 -5.744 1.00 0.57 H new ATOM 0 HB2 SER B 55 -11.725 17.233 -5.218 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.434 16.486 -4.297 1.00 0.74 H new ATOM 0 HG SER B 55 -9.776 17.019 -6.457 1.00 0.92 H new ATOM 2512 N LEU B 56 -11.807 12.678 -5.171 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.165 11.352 -5.205 1.00 0.47 C ATOM 2514 C LEU B 56 -11.276 10.719 -6.616 1.00 0.48 C ATOM 2515 O LEU B 56 -11.009 9.527 -6.777 1.00 0.81 O ATOM 2516 CB LEU B 56 -11.818 10.435 -4.125 1.00 0.58 C ATOM 2517 CG LEU B 56 -10.878 9.513 -3.299 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -10.142 8.499 -4.175 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -9.890 10.329 -2.457 1.00 1.24 C ATOM 0 H LEU B 56 -12.806 12.654 -5.377 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.104 11.462 -4.982 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -12.361 11.072 -3.427 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.556 9.804 -4.621 1.00 0.58 H new ATOM 0 HG LEU B 56 -11.516 8.947 -2.619 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -9.498 7.879 -3.551 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -10.867 7.868 -4.688 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -9.535 9.027 -4.911 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -9.248 9.653 -1.892 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -9.277 10.948 -3.113 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -10.441 10.967 -1.766 1.00 1.24 H new ATOM 2531 N ASP B 57 -11.662 11.521 -7.641 1.00 0.48 N ATOM 2532 CA ASP B 57 -11.801 11.022 -9.026 1.00 0.49 C ATOM 2533 C ASP B 57 -10.432 10.939 -9.738 1.00 0.44 C ATOM 2534 O ASP B 57 -10.244 10.086 -10.613 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.798 11.887 -9.838 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.384 13.349 -9.977 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -12.564 14.114 -9.007 1.00 0.73 O ATOM 2538 OD2 ASP B 57 -11.885 13.725 -11.061 1.00 0.69 O ATOM 0 H ASP B 57 -11.881 12.511 -7.531 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.205 10.011 -8.968 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.910 11.456 -10.833 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.776 11.841 -9.359 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.476 11.820 -9.351 1.00 0.45 N ATOM 2544 CA GLU B 58 -8.120 11.843 -9.941 1.00 0.50 C ATOM 2545 C GLU B 58 -7.388 10.506 -9.699 1.00 0.47 C ATOM 2546 O GLU B 58 -6.676 10.022 -10.584 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.312 13.022 -9.356 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.935 13.230 -9.984 1.00 0.73 C ATOM 2549 CD GLU B 58 -5.256 14.500 -9.499 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -4.672 14.479 -8.394 1.00 1.06 O ATOM 2551 OE2 GLU B 58 -5.311 15.517 -10.223 1.00 1.10 O ATOM 0 H GLU B 58 -9.623 12.526 -8.629 1.00 0.45 H new ATOM 0 HA GLU B 58 -8.213 11.980 -11.018 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.892 13.937 -9.476 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.187 12.862 -8.285 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.302 12.373 -9.753 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -6.037 13.268 -11.069 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.576 9.925 -8.499 1.00 0.43 N ATOM 2559 CA LYS B 59 -6.950 8.647 -8.135 1.00 0.48 C ATOM 2560 C LYS B 59 -7.832 7.447 -8.544 1.00 0.54 C ATOM 2561 O LYS B 59 -7.294 6.408 -8.918 1.00 0.91 O ATOM 2562 CB LYS B 59 -6.647 8.592 -6.622 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.508 9.517 -6.165 1.00 0.59 C ATOM 2564 CD LYS B 59 -5.991 10.941 -5.853 1.00 0.79 C ATOM 2565 CE LYS B 59 -4.857 11.836 -5.347 1.00 1.19 C ATOM 2566 NZ LYS B 59 -5.324 13.215 -5.016 1.00 1.47 N ATOM 0 H LYS B 59 -8.160 10.325 -7.765 1.00 0.43 H new ATOM 0 HA LYS B 59 -6.010 8.580 -8.683 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -7.552 8.853 -6.074 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -6.395 7.566 -6.352 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.036 9.095 -5.278 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -4.745 9.559 -6.942 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.426 11.381 -6.751 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -6.781 10.899 -5.103 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -4.409 11.385 -4.462 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -4.076 11.892 -6.106 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -4.520 13.782 -4.678 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -5.727 13.658 -5.866 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -6.050 13.167 -4.273 1.00 1.47 H new ATOM 2580 N MET B 60 -9.182 7.600 -8.483 1.00 0.40 N ATOM 2581 CA MET B 60 -10.131 6.511 -8.849 1.00 0.43 C ATOM 2582 C MET B 60 -9.901 5.999 -10.287 1.00 0.45 C ATOM 2583 O MET B 60 -9.943 4.785 -10.520 1.00 0.49 O ATOM 2584 CB MET B 60 -11.592 6.978 -8.668 1.00 0.47 C ATOM 2585 CG MET B 60 -12.644 5.876 -8.836 1.00 0.55 C ATOM 2586 SD MET B 60 -14.328 6.450 -8.517 1.00 0.67 S ATOM 2587 CE MET B 60 -14.694 7.318 -10.041 1.00 0.81 C ATOM 0 H MET B 60 -9.637 8.463 -8.185 1.00 0.40 H new ATOM 0 HA MET B 60 -9.941 5.677 -8.173 1.00 0.43 H new ATOM 0 HB2 MET B 60 -11.699 7.415 -7.675 1.00 0.47 H new ATOM 0 HB3 MET B 60 -11.797 7.770 -9.388 1.00 0.47 H new ATOM 0 HG2 MET B 60 -12.587 5.479 -9.850 1.00 0.55 H new ATOM 0 HG3 MET B 60 -12.412 5.054 -8.159 1.00 0.55 H new ATOM 0 HE1 MET B 60 -15.703 7.728 -9.993 1.00 0.81 H new ATOM 0 HE2 MET B 60 -13.979 8.129 -10.179 1.00 0.81 H new ATOM 0 HE3 MET B 60 -14.624 6.626 -10.880 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.664 6.923 -11.247 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.406 6.544 -12.655 1.00 0.53 C ATOM 2599 C LYS B 61 -8.036 5.844 -12.791 1.00 0.48 C ATOM 2600 O LYS B 61 -7.886 4.930 -13.605 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.479 7.772 -13.588 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.886 8.376 -13.716 1.00 0.78 C ATOM 2603 CD LYS B 61 -10.968 9.481 -14.782 1.00 1.13 C ATOM 2604 CE LYS B 61 -10.342 10.805 -14.327 1.00 1.87 C ATOM 2605 NZ LYS B 61 -11.135 11.482 -13.257 1.00 2.39 N ATOM 0 H LYS B 61 -9.646 7.928 -11.074 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.185 5.844 -12.958 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -8.798 8.538 -13.217 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -9.127 7.484 -14.579 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.594 7.585 -13.964 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -11.190 8.785 -12.752 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -10.466 9.141 -15.688 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -12.013 9.650 -15.041 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -9.332 10.618 -13.961 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -10.252 11.473 -15.184 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -10.907 12.497 -13.245 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -12.150 11.357 -13.446 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -10.901 11.064 -12.334 1.00 2.39 H new ATOM 2619 N SER B 62 -7.042 6.287 -11.984 1.00 0.46 N ATOM 2620 CA SER B 62 -5.693 5.681 -11.969 1.00 0.47 C ATOM 2621 C SER B 62 -5.719 4.276 -11.319 1.00 0.44 C ATOM 2622 O SER B 62 -4.928 3.410 -11.699 1.00 0.50 O ATOM 2623 CB SER B 62 -4.707 6.590 -11.216 1.00 0.54 C ATOM 2624 OG SER B 62 -4.619 7.865 -11.821 1.00 0.63 O ATOM 0 H SER B 62 -7.152 7.065 -11.334 1.00 0.46 H new ATOM 0 HA SER B 62 -5.362 5.574 -13.002 1.00 0.47 H new ATOM 0 HB2 SER B 62 -5.027 6.698 -10.180 1.00 0.54 H new ATOM 0 HB3 SER B 62 -3.721 6.125 -11.198 1.00 0.54 H new ATOM 0 HG SER B 62 -5.244 8.479 -11.383 1.00 0.63 H new ATOM 2630 N LEU B 63 -6.640 4.060 -10.342 1.00 0.41 N ATOM 2631 CA LEU B 63 -6.791 2.756 -9.658 1.00 0.44 C ATOM 2632 C LEU B 63 -7.473 1.734 -10.580 1.00 0.47 C ATOM 2633 O LEU B 63 -6.907 0.674 -10.865 1.00 0.57 O ATOM 2634 CB LEU B 63 -7.624 2.896 -8.357 1.00 0.45 C ATOM 2635 CG LEU B 63 -6.996 3.734 -7.221 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.055 4.151 -6.192 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -5.863 2.969 -6.536 1.00 0.69 C ATOM 0 H LEU B 63 -7.288 4.776 -10.013 1.00 0.41 H new ATOM 0 HA LEU B 63 -5.790 2.408 -9.403 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -8.586 3.338 -8.615 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -7.825 1.896 -7.972 1.00 0.45 H new ATOM 0 HG LEU B 63 -6.580 4.636 -7.670 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -7.585 4.739 -5.404 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -8.823 4.749 -6.682 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -8.510 3.261 -5.758 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -5.439 3.582 -5.741 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -6.253 2.044 -6.112 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.088 2.735 -7.266 1.00 0.69 H new ATOM 2649 N ASP B 64 -8.688 2.073 -11.065 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.463 1.190 -11.951 1.00 0.55 C ATOM 2651 C ASP B 64 -8.967 1.321 -13.415 1.00 0.53 C ATOM 2652 O ASP B 64 -9.676 1.844 -14.287 1.00 0.60 O ATOM 2653 CB ASP B 64 -10.981 1.502 -11.821 1.00 0.66 C ATOM 2654 CG ASP B 64 -11.861 0.269 -11.978 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -11.848 -0.588 -11.069 1.00 1.27 O ATOM 2656 OD2 ASP B 64 -12.568 0.168 -13.001 1.00 1.32 O ATOM 0 H ASP B 64 -9.151 2.957 -10.854 1.00 0.47 H new ATOM 0 HA ASP B 64 -9.311 0.154 -11.649 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -11.171 1.954 -10.848 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.260 2.238 -12.575 1.00 0.66 H new ATOM 2661 N VAL B 65 -7.728 0.843 -13.662 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.103 0.879 -15.001 1.00 0.56 C ATOM 2663 C VAL B 65 -7.603 -0.298 -15.875 1.00 0.56 C ATOM 2664 O VAL B 65 -7.727 -0.158 -17.096 1.00 0.61 O ATOM 2665 CB VAL B 65 -5.531 0.896 -14.905 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -4.956 -0.409 -14.333 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -4.888 1.231 -16.255 1.00 0.72 C ATOM 0 H VAL B 65 -7.137 0.424 -12.944 1.00 0.53 H new ATOM 0 HA VAL B 65 -7.406 1.808 -15.484 1.00 0.56 H new ATOM 0 HB VAL B 65 -5.279 1.689 -14.201 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -3.869 -0.340 -14.290 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.349 -0.571 -13.329 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.241 -1.244 -14.973 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -3.803 1.234 -16.151 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.180 0.483 -16.992 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -5.223 2.215 -16.584 1.00 0.72 H new ATOM 2677 N ASN B 66 -7.892 -1.451 -15.231 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.403 -2.648 -15.925 1.00 0.60 C ATOM 2679 C ASN B 66 -9.849 -2.428 -16.423 1.00 0.61 C ATOM 2680 O ASN B 66 -10.211 -2.916 -17.499 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.333 -3.877 -14.988 1.00 0.65 C ATOM 2682 CG ASN B 66 -8.770 -5.190 -15.652 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -8.372 -5.486 -16.779 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -9.603 -5.979 -14.962 1.00 1.32 N ATOM 0 H ASN B 66 -7.778 -1.575 -14.225 1.00 0.56 H new ATOM 0 HA ASN B 66 -7.774 -2.832 -16.796 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -7.311 -3.987 -14.625 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -8.963 -3.694 -14.117 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -9.928 -6.857 -15.368 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -9.913 -5.703 -14.030 1.00 1.32 H new ATOM 2691 N GLN B 67 -10.669 -1.686 -15.631 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.079 -1.383 -15.967 1.00 0.64 C ATOM 2693 C GLN B 67 -12.949 -2.655 -15.941 1.00 0.64 C ATOM 2694 O GLN B 67 -12.952 -3.435 -16.901 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.219 -0.661 -17.335 1.00 0.75 C ATOM 2696 CG GLN B 67 -11.301 0.556 -17.526 1.00 0.96 C ATOM 2697 CD GLN B 67 -11.766 1.812 -16.780 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -12.425 1.730 -15.741 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -11.410 2.988 -17.301 1.00 1.87 N ATOM 0 H GLN B 67 -10.367 -1.284 -14.744 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.439 -0.700 -15.197 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -12.015 -1.379 -18.130 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -13.253 -0.339 -17.454 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -10.297 0.297 -17.190 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -11.232 0.783 -18.590 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -10.865 3.020 -18.162 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -11.683 3.855 -16.838 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.671 -2.861 -14.822 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.548 -4.030 -14.651 1.00 0.72 C ATOM 2710 C ASP B 68 -15.807 -3.659 -13.842 1.00 0.79 C ATOM 2711 O ASP B 68 -16.916 -3.678 -14.384 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.769 -5.180 -13.969 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.455 -6.529 -14.119 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -15.326 -6.849 -13.281 1.00 1.25 O ATOM 2715 OD2 ASP B 68 -14.128 -7.259 -15.078 1.00 1.16 O ATOM 0 H ASP B 68 -13.662 -2.229 -14.022 1.00 0.65 H new ATOM 0 HA ASP B 68 -14.876 -4.368 -15.634 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.768 -5.238 -14.396 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -13.651 -4.954 -12.909 1.00 0.76 H new ATOM 2720 N SER B 69 -15.616 -3.305 -12.551 1.00 0.66 N ATOM 2721 CA SER B 69 -16.716 -2.931 -11.633 1.00 0.71 C ATOM 2722 C SER B 69 -16.148 -2.560 -10.249 1.00 0.71 C ATOM 2723 O SER B 69 -16.404 -1.460 -9.747 1.00 1.26 O ATOM 2724 CB SER B 69 -17.753 -4.071 -11.500 1.00 0.86 C ATOM 2725 OG SER B 69 -18.726 -3.787 -10.504 1.00 1.35 O ATOM 0 H SER B 69 -14.694 -3.271 -12.116 1.00 0.66 H new ATOM 0 HA SER B 69 -17.226 -2.065 -12.054 1.00 0.71 H new ATOM 0 HB2 SER B 69 -18.249 -4.225 -12.459 1.00 0.86 H new ATOM 0 HB3 SER B 69 -17.241 -5.001 -11.253 1.00 0.86 H new ATOM 0 HG SER B 69 -19.365 -4.528 -10.450 1.00 1.35 H new ATOM 2731 N GLU B 70 -15.375 -3.492 -9.647 1.00 0.69 N ATOM 2732 CA GLU B 70 -14.736 -3.280 -8.334 1.00 0.75 C ATOM 2733 C GLU B 70 -13.224 -3.058 -8.511 1.00 0.62 C ATOM 2734 O GLU B 70 -12.673 -3.327 -9.588 1.00 0.78 O ATOM 2735 CB GLU B 70 -14.993 -4.475 -7.388 1.00 1.11 C ATOM 2736 CG GLU B 70 -16.448 -4.629 -6.951 1.00 1.39 C ATOM 2737 CD GLU B 70 -16.653 -5.797 -6.003 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -16.220 -5.700 -4.835 1.00 2.40 O ATOM 2739 OE2 GLU B 70 -17.244 -6.810 -6.431 1.00 2.37 O ATOM 0 H GLU B 70 -15.179 -4.405 -10.057 1.00 0.69 H new ATOM 0 HA GLU B 70 -15.177 -2.392 -7.882 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -14.676 -5.392 -7.885 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -14.370 -4.362 -6.501 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -16.777 -3.710 -6.466 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -17.075 -4.766 -7.832 1.00 1.39 H new ATOM 2746 N LEU B 71 -12.563 -2.560 -7.450 1.00 0.54 N ATOM 2747 CA LEU B 71 -11.117 -2.279 -7.474 1.00 0.51 C ATOM 2748 C LEU B 71 -10.329 -3.403 -6.766 1.00 0.50 C ATOM 2749 O LEU B 71 -10.272 -3.437 -5.535 1.00 0.52 O ATOM 2750 CB LEU B 71 -10.828 -0.908 -6.802 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.301 0.354 -7.574 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -12.830 0.469 -7.594 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -10.676 1.625 -6.979 1.00 0.92 C ATOM 0 H LEU B 71 -13.012 -2.343 -6.560 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.790 -2.238 -8.513 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.299 -0.903 -5.819 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -9.753 -0.827 -6.641 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.963 0.248 -8.605 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -13.120 1.365 -8.143 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -13.255 -0.409 -8.081 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.203 0.533 -6.572 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -11.022 2.496 -7.536 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -10.972 1.721 -5.934 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -9.590 1.561 -7.044 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.723 -4.330 -7.549 1.00 0.52 N ATOM 2766 CA LYS B 72 -8.922 -5.442 -6.977 1.00 0.54 C ATOM 2767 C LYS B 72 -7.655 -4.882 -6.309 1.00 0.48 C ATOM 2768 O LYS B 72 -7.203 -3.795 -6.679 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.548 -6.470 -8.077 1.00 0.60 C ATOM 2770 CG LYS B 72 -8.134 -7.848 -7.546 1.00 0.78 C ATOM 2771 CD LYS B 72 -7.645 -8.767 -8.668 1.00 0.91 C ATOM 2772 CE LYS B 72 -7.157 -10.119 -8.136 1.00 1.29 C ATOM 2773 NZ LYS B 72 -8.272 -11.090 -7.914 1.00 1.81 N ATOM 0 H LYS B 72 -9.772 -4.331 -8.568 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.521 -5.955 -6.225 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.400 -6.593 -8.746 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.731 -6.064 -8.673 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -7.345 -7.729 -6.804 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -8.981 -8.312 -7.040 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -8.453 -8.929 -9.381 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -6.835 -8.278 -9.210 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -6.444 -10.546 -8.841 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -6.624 -9.964 -7.198 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -7.886 -11.986 -7.555 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -8.941 -10.698 -7.220 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -8.767 -11.262 -8.813 1.00 1.81 H new ATOM 2787 N PHE B 73 -7.080 -5.613 -5.325 1.00 0.51 N ATOM 2788 CA PHE B 73 -5.859 -5.144 -4.624 1.00 0.49 C ATOM 2789 C PHE B 73 -4.676 -4.925 -5.593 1.00 0.46 C ATOM 2790 O PHE B 73 -3.820 -4.073 -5.334 1.00 0.46 O ATOM 2791 CB PHE B 73 -5.446 -6.093 -3.479 1.00 0.55 C ATOM 2792 CG PHE B 73 -4.852 -5.353 -2.296 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -3.510 -4.984 -2.283 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -5.647 -5.007 -1.213 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -2.982 -4.288 -1.216 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -5.119 -4.314 -0.143 1.00 1.15 C ATOM 2797 CZ PHE B 73 -3.785 -3.953 -0.144 1.00 1.23 C ATOM 0 H PHE B 73 -7.433 -6.514 -5.002 1.00 0.51 H new ATOM 0 HA PHE B 73 -6.116 -4.179 -4.187 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -6.317 -6.659 -3.149 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -4.720 -6.815 -3.854 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -2.876 -5.245 -3.117 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -6.691 -5.283 -1.207 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -1.940 -4.005 -1.219 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -5.748 -4.054 0.695 1.00 1.15 H new ATOM 0 HZ PHE B 73 -3.371 -3.410 0.693 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.636 -5.693 -6.707 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.588 -5.545 -7.737 1.00 0.50 C ATOM 2809 C ASN B 74 -3.753 -4.209 -8.510 1.00 0.48 C ATOM 2810 O ASN B 74 -2.788 -3.714 -9.098 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.626 -6.744 -8.708 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.489 -6.732 -9.730 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -1.329 -7.283 -9.369 1.00 0.99 O flip ATOM 2814 ND2 ASN B 74 -2.656 -6.223 -10.837 1.00 0.93 N flip ATOM 0 H ASN B 74 -5.320 -6.421 -6.913 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.618 -5.526 -7.241 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -3.579 -7.669 -8.134 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.580 -6.745 -9.236 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -3.557 -5.811 -11.078 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -1.893 -6.213 -11.514 1.00 0.93 H new ATOM 2821 N GLU B 75 -4.989 -3.651 -8.510 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.310 -2.371 -9.170 1.00 0.47 C ATOM 2823 C GLU B 75 -5.528 -1.230 -8.132 1.00 0.41 C ATOM 2824 O GLU B 75 -5.641 -0.065 -8.522 1.00 0.42 O ATOM 2825 CB GLU B 75 -6.575 -2.545 -10.054 1.00 0.54 C ATOM 2826 CG GLU B 75 -6.307 -3.043 -11.484 1.00 0.64 C ATOM 2827 CD GLU B 75 -5.835 -4.487 -11.561 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -6.619 -5.389 -11.199 1.00 0.91 O ATOM 2829 OE2 GLU B 75 -4.688 -4.714 -12.003 1.00 0.93 O ATOM 0 H GLU B 75 -5.791 -4.082 -8.049 1.00 0.44 H new ATOM 0 HA GLU B 75 -4.464 -2.087 -9.795 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.250 -3.246 -9.562 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.095 -1.588 -10.110 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -7.220 -2.939 -12.070 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -5.556 -2.402 -11.946 1.00 0.64 H new ATOM 2836 N TYR B 76 -5.576 -1.571 -6.817 1.00 0.41 N ATOM 2837 CA TYR B 76 -5.784 -0.584 -5.731 1.00 0.39 C ATOM 2838 C TYR B 76 -4.456 -0.142 -5.060 1.00 0.36 C ATOM 2839 O TYR B 76 -4.452 0.842 -4.316 1.00 0.43 O ATOM 2840 CB TYR B 76 -6.743 -1.177 -4.671 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.292 -0.170 -3.659 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.380 0.639 -3.975 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.727 -0.039 -2.389 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.888 1.545 -3.063 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.232 0.864 -1.471 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.312 1.654 -1.810 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.821 2.545 -0.890 1.00 0.71 O ATOM 0 H TYR B 76 -5.472 -2.530 -6.485 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.223 0.307 -6.179 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -7.582 -1.647 -5.185 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.219 -1.965 -4.129 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.836 0.557 -4.951 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -5.881 -0.653 -2.119 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.731 2.165 -3.328 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.783 0.951 -0.493 1.00 0.59 H new ATOM 0 HH TYR B 76 -8.300 2.493 -0.062 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.330 -0.853 -5.336 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.006 -0.525 -4.740 1.00 0.40 C ATOM 2859 C TRP B 77 -1.525 0.927 -5.029 1.00 0.35 C ATOM 2860 O TRP B 77 -0.623 1.415 -4.341 1.00 0.37 O ATOM 2861 CB TRP B 77 -0.933 -1.580 -5.144 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.108 -1.278 -6.381 1.00 0.48 C ATOM 2863 CD1 TRP B 77 1.255 -1.170 -6.434 1.00 0.56 C ATOM 2864 CD2 TRP B 77 -0.576 -1.060 -7.726 1.00 0.74 C ATOM 2865 NE1 TRP B 77 1.661 -0.898 -7.715 1.00 0.79 N ATOM 2866 CE2 TRP B 77 0.560 -0.825 -8.528 1.00 0.94 C ATOM 2867 CE3 TRP B 77 -1.835 -1.039 -8.335 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 0.470 -0.574 -9.896 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 -1.921 -0.788 -9.691 1.00 1.37 C ATOM 2870 CH2 TRP B 77 -0.775 -0.560 -10.457 1.00 1.54 C ATOM 0 H TRP B 77 -3.313 -1.655 -5.966 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.144 -0.570 -3.660 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -0.251 -1.709 -4.304 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -1.436 -2.535 -5.296 1.00 0.58 H new ATOM 0 HD1 TRP B 77 1.916 -1.283 -5.588 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.628 -0.770 -8.015 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -2.728 -1.217 -7.753 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 1.354 -0.397 -10.491 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 -2.890 -0.768 -10.167 1.00 1.37 H new ATOM 0 HH2 TRP B 77 -0.876 -0.369 -11.515 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.116 1.607 -6.041 1.00 0.37 N ATOM 2882 CA ARG B 78 -1.755 3.004 -6.366 1.00 0.41 C ATOM 2883 C ARG B 78 -2.188 3.977 -5.245 1.00 0.38 C ATOM 2884 O ARG B 78 -1.512 4.980 -5.015 1.00 0.45 O ATOM 2885 CB ARG B 78 -2.365 3.431 -7.720 1.00 0.49 C ATOM 2886 CG ARG B 78 -1.794 2.677 -8.924 1.00 0.68 C ATOM 2887 CD ARG B 78 -0.539 3.338 -9.501 1.00 0.88 C ATOM 2888 NE ARG B 78 -0.862 4.337 -10.536 1.00 1.17 N ATOM 2889 CZ ARG B 78 -1.147 4.058 -11.831 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -1.179 2.796 -12.286 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -1.415 5.055 -12.675 1.00 2.15 N ATOM 0 H ARG B 78 -2.840 1.212 -6.641 1.00 0.37 H new ATOM 0 HA ARG B 78 -0.669 3.050 -6.447 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -3.444 3.277 -7.686 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.200 4.499 -7.861 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -1.557 1.655 -8.627 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -2.555 2.614 -9.701 1.00 0.68 H new ATOM 0 HD2 ARG B 78 0.019 3.818 -8.697 1.00 0.88 H new ATOM 0 HD3 ARG B 78 0.110 2.573 -9.927 1.00 0.88 H new ATOM 0 HE ARG B 78 -0.872 5.317 -10.255 1.00 1.17 H new ATOM 0 HH11 ARG B 78 -0.986 2.020 -11.652 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -1.396 2.612 -13.266 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -1.405 6.020 -12.344 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -1.630 4.853 -13.651 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.313 3.668 -4.550 1.00 0.33 N ATOM 2906 CA LEU B 79 -3.809 4.507 -3.437 1.00 0.34 C ATOM 2907 C LEU B 79 -3.100 4.111 -2.135 1.00 0.32 C ATOM 2908 O LEU B 79 -2.819 4.975 -1.305 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.347 4.396 -3.271 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.040 5.593 -2.571 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.035 6.846 -3.456 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.470 5.226 -2.165 1.00 0.48 C ATOM 0 H LEU B 79 -3.888 2.848 -4.742 1.00 0.33 H new ATOM 0 HA LEU B 79 -3.584 5.547 -3.673 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -5.792 4.270 -4.258 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.568 3.491 -2.705 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.470 5.823 -1.671 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -6.529 7.664 -2.932 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.007 7.128 -3.681 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -6.566 6.637 -4.385 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -7.939 6.079 -1.675 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.043 4.957 -3.053 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.447 4.380 -1.478 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.811 2.795 -1.969 1.00 0.34 N ATOM 2925 CA ILE B 80 -2.082 2.274 -0.791 1.00 0.37 C ATOM 2926 C ILE B 80 -0.718 2.995 -0.667 1.00 0.36 C ATOM 2927 O ILE B 80 -0.254 3.250 0.448 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.887 0.714 -0.873 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -3.258 -0.029 -0.906 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -1.005 0.177 0.267 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -4.096 0.075 0.366 1.00 0.56 C ATOM 0 H ILE B 80 -3.075 2.075 -2.641 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.677 2.475 0.100 1.00 0.37 H new ATOM 0 HB ILE B 80 -1.366 0.513 -1.809 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.843 0.363 -1.738 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -3.075 -1.083 -1.114 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.900 -0.903 0.168 1.00 0.54 H new ATOM 0 HG22 ILE B 80 -0.021 0.644 0.217 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.468 0.410 1.226 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -5.027 -0.477 0.235 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.540 -0.346 1.204 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.320 1.122 0.569 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.086 3.314 -1.826 1.00 0.36 N ATOM 2944 CA GLY B 81 1.179 4.053 -1.843 1.00 0.39 C ATOM 2945 C GLY B 81 0.973 5.525 -1.474 1.00 0.37 C ATOM 2946 O GLY B 81 1.823 6.126 -0.808 1.00 0.42 O ATOM 0 H GLY B 81 -0.439 3.067 -2.751 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.878 3.596 -1.143 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.629 3.984 -2.834 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.168 6.101 -1.922 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.539 7.497 -1.622 1.00 0.36 C ATOM 2952 C GLU B 82 -0.920 7.659 -0.132 1.00 0.33 C ATOM 2953 O GLU B 82 -0.718 8.734 0.437 1.00 0.40 O ATOM 2954 CB GLU B 82 -1.720 7.954 -2.515 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.413 7.988 -4.018 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.732 9.270 -4.473 1.00 0.61 C ATOM 2957 OE1 GLU B 82 -1.415 10.316 -4.538 1.00 0.91 O ATOM 2958 OE2 GLU B 82 0.482 9.228 -4.766 1.00 0.79 O ATOM 0 H GLU B 82 -0.852 5.610 -2.499 1.00 0.34 H new ATOM 0 HA GLU B 82 0.328 8.123 -1.833 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.565 7.286 -2.346 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.032 8.950 -2.199 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -0.776 7.140 -4.269 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.343 7.864 -4.573 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.468 6.582 0.493 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.866 6.591 1.922 1.00 0.35 C ATOM 2967 C LEU B 83 -0.667 6.955 2.822 1.00 0.37 C ATOM 2968 O LEU B 83 -0.715 7.951 3.547 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.454 5.208 2.354 1.00 0.42 C ATOM 2970 CG LEU B 83 -3.994 5.118 2.465 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -4.660 5.015 1.091 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.409 3.935 3.348 1.00 0.63 C ATOM 0 H LEU B 83 -1.644 5.694 0.024 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.641 7.348 2.042 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.119 4.456 1.639 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -2.026 4.942 3.321 1.00 0.42 H new ATOM 0 HG LEU B 83 -4.337 6.042 2.931 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -5.741 4.954 1.214 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.412 5.896 0.499 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.302 4.122 0.579 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.496 3.892 3.411 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -4.034 3.008 2.914 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -3.992 4.063 4.347 1.00 0.63 H new ATOM 2984 N ALA B 84 0.413 6.154 2.743 1.00 0.38 N ATOM 2985 CA ALA B 84 1.629 6.385 3.548 1.00 0.44 C ATOM 2986 C ALA B 84 2.430 7.621 3.079 1.00 0.45 C ATOM 2987 O ALA B 84 3.199 8.180 3.866 1.00 0.55 O ATOM 2988 CB ALA B 84 2.509 5.141 3.549 1.00 0.55 C ATOM 0 H ALA B 84 0.468 5.341 2.130 1.00 0.38 H new ATOM 0 HA ALA B 84 1.302 6.593 4.567 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.401 5.327 4.147 1.00 0.55 H new ATOM 0 HB2 ALA B 84 1.955 4.304 3.975 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.801 4.901 2.527 1.00 0.55 H new ATOM 2994 N LYS B 85 2.267 8.037 1.802 1.00 0.41 N ATOM 2995 CA LYS B 85 2.964 9.226 1.273 1.00 0.45 C ATOM 2996 C LYS B 85 2.262 10.524 1.729 1.00 0.47 C ATOM 2997 O LYS B 85 2.918 11.555 1.892 1.00 0.57 O ATOM 2998 CB LYS B 85 3.044 9.191 -0.269 1.00 0.49 C ATOM 2999 CG LYS B 85 4.058 10.181 -0.874 1.00 0.57 C ATOM 3000 CD LYS B 85 3.630 10.720 -2.248 1.00 0.66 C ATOM 3001 CE LYS B 85 4.077 9.818 -3.401 1.00 0.79 C ATOM 3002 NZ LYS B 85 3.466 8.452 -3.352 1.00 1.10 N ATOM 0 H LYS B 85 1.663 7.569 1.126 1.00 0.41 H new ATOM 0 HA LYS B 85 3.978 9.212 1.673 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.307 8.181 -0.585 1.00 0.49 H new ATOM 0 HB3 LYS B 85 2.056 9.406 -0.677 1.00 0.49 H new ATOM 0 HG2 LYS B 85 4.193 11.018 -0.188 1.00 0.57 H new ATOM 0 HG3 LYS B 85 5.025 9.688 -0.969 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.545 10.823 -2.272 1.00 0.66 H new ATOM 0 HD3 LYS B 85 4.048 11.717 -2.389 1.00 0.66 H new ATOM 0 HE2 LYS B 85 3.816 10.292 -4.347 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.163 9.724 -3.381 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 3.581 7.987 -4.275 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 3.939 7.886 -2.618 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 2.454 8.532 -3.128 1.00 1.10 H new ATOM 3016 N GLU B 86 0.925 10.460 1.940 1.00 0.42 N ATOM 3017 CA GLU B 86 0.135 11.627 2.380 1.00 0.46 C ATOM 3018 C GLU B 86 -0.026 11.676 3.923 1.00 0.50 C ATOM 3019 O GLU B 86 -1.027 12.191 4.428 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.240 11.632 1.674 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.155 11.939 0.178 1.00 0.59 C ATOM 3022 CD GLU B 86 -2.515 12.139 -0.469 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -3.091 13.236 -0.312 1.00 1.68 O ATOM 3024 OE2 GLU B 86 -3.000 11.200 -1.135 1.00 1.48 O ATOM 0 H GLU B 86 0.375 9.611 1.812 1.00 0.42 H new ATOM 0 HA GLU B 86 0.681 12.527 2.095 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.714 10.660 1.811 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -1.883 12.371 2.153 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -0.554 12.837 0.031 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -0.637 11.123 -0.325 1.00 0.59 H new ATOM 3031 N ILE B 87 0.969 11.140 4.664 1.00 0.48 N ATOM 3032 CA ILE B 87 0.970 11.161 6.137 1.00 0.51 C ATOM 3033 C ILE B 87 1.979 12.226 6.632 1.00 0.53 C ATOM 3034 O ILE B 87 1.708 12.926 7.612 1.00 0.58 O ATOM 3035 CB ILE B 87 1.252 9.726 6.733 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.602 9.547 8.140 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.747 9.354 6.730 1.00 0.62 C ATOM 3038 CD1 ILE B 87 1.370 10.122 9.324 1.00 0.63 C ATOM 0 H ILE B 87 1.787 10.685 4.258 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.019 11.441 6.498 1.00 0.51 H new ATOM 0 HB ILE B 87 0.770 9.016 6.061 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.386 10.006 8.120 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.455 8.481 8.314 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.875 8.357 7.152 1.00 0.62 H new ATOM 0 HG22 ILE B 87 3.123 9.366 5.707 1.00 0.62 H new ATOM 0 HG23 ILE B 87 3.303 10.075 7.329 1.00 0.62 H new ATOM 0 HD11 ILE B 87 0.816 9.934 10.243 1.00 0.63 H new ATOM 0 HD12 ILE B 87 2.349 9.648 9.387 1.00 0.63 H new ATOM 0 HD13 ILE B 87 1.495 11.196 9.189 1.00 0.63 H new ATOM 3050 N ARG B 88 3.138 12.350 5.926 1.00 0.57 N ATOM 3051 CA ARG B 88 4.176 13.339 6.265 1.00 0.67 C ATOM 3052 C ARG B 88 4.202 14.505 5.247 1.00 0.67 C ATOM 3053 O ARG B 88 4.382 15.659 5.648 1.00 0.84 O ATOM 3054 CB ARG B 88 5.579 12.659 6.419 1.00 0.75 C ATOM 3055 CG ARG B 88 6.453 12.519 5.153 1.00 0.82 C ATOM 3056 CD ARG B 88 6.065 11.324 4.283 1.00 1.05 C ATOM 3057 NE ARG B 88 6.929 11.204 3.095 1.00 1.17 N ATOM 3058 CZ ARG B 88 7.062 10.097 2.337 1.00 1.26 C ATOM 3059 NH1 ARG B 88 6.436 8.949 2.643 1.00 1.64 N ATOM 3060 NH2 ARG B 88 7.854 10.136 1.265 1.00 1.55 N ATOM 0 H ARG B 88 3.368 11.771 5.118 1.00 0.57 H new ATOM 0 HA ARG B 88 3.921 13.771 7.233 1.00 0.67 H new ATOM 0 HB2 ARG B 88 6.147 13.225 7.157 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.425 11.662 6.832 1.00 0.75 H new ATOM 0 HG2 ARG B 88 6.374 13.431 4.562 1.00 0.82 H new ATOM 0 HG3 ARG B 88 7.497 12.421 5.449 1.00 0.82 H new ATOM 0 HD2 ARG B 88 6.130 10.410 4.873 1.00 1.05 H new ATOM 0 HD3 ARG B 88 5.027 11.427 3.968 1.00 1.05 H new ATOM 0 HE ARG B 88 7.470 12.025 2.824 1.00 1.17 H new ATOM 0 HH11 ARG B 88 5.840 8.898 3.469 1.00 1.64 H new ATOM 0 HH12 ARG B 88 6.557 8.128 2.049 1.00 1.64 H new ATOM 0 HH21 ARG B 88 8.349 10.996 1.028 1.00 1.55 H new ATOM 0 HH22 ARG B 88 7.964 9.306 0.682 1.00 1.55 H new ATOM 3074 N LYS B 89 4.006 14.205 3.939 1.00 0.60 N ATOM 3075 CA LYS B 89 4.034 15.234 2.875 1.00 0.67 C ATOM 3076 C LYS B 89 2.703 15.326 2.089 1.00 0.63 C ATOM 3077 O LYS B 89 2.699 15.285 0.850 1.00 0.76 O ATOM 3078 CB LYS B 89 5.223 14.975 1.912 1.00 0.76 C ATOM 3079 CG LYS B 89 5.205 13.602 1.212 1.00 0.78 C ATOM 3080 CD LYS B 89 6.196 13.509 0.043 1.00 1.06 C ATOM 3081 CE LYS B 89 5.720 14.286 -1.189 1.00 1.32 C ATOM 3082 NZ LYS B 89 6.555 14.009 -2.398 1.00 1.65 N ATOM 0 H LYS B 89 3.827 13.260 3.598 1.00 0.60 H new ATOM 0 HA LYS B 89 4.169 16.197 3.367 1.00 0.67 H new ATOM 0 HB2 LYS B 89 5.231 15.755 1.150 1.00 0.76 H new ATOM 0 HB3 LYS B 89 6.153 15.068 2.473 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.438 12.826 1.941 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.199 13.401 0.844 1.00 0.78 H new ATOM 0 HD2 LYS B 89 7.165 13.894 0.360 1.00 1.06 H new ATOM 0 HD3 LYS B 89 6.341 12.462 -0.225 1.00 1.06 H new ATOM 0 HE2 LYS B 89 4.683 14.026 -1.400 1.00 1.32 H new ATOM 0 HE3 LYS B 89 5.743 15.354 -0.972 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 6.192 14.558 -3.203 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 7.541 14.281 -2.209 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 6.513 12.995 -2.624 1.00 1.65 H new ATOM 3096 N LYS B 90 1.566 15.471 2.805 1.00 0.58 N ATOM 3097 CA LYS B 90 0.243 15.598 2.144 1.00 0.56 C ATOM 3098 C LYS B 90 0.139 16.926 1.358 1.00 0.54 C ATOM 3099 O LYS B 90 -0.477 16.971 0.292 1.00 0.58 O ATOM 3100 CB LYS B 90 -0.936 15.437 3.144 1.00 0.59 C ATOM 3101 CG LYS B 90 -0.963 16.417 4.339 1.00 0.66 C ATOM 3102 CD LYS B 90 -0.473 15.788 5.653 1.00 0.96 C ATOM 3103 CE LYS B 90 -1.477 14.795 6.252 1.00 1.48 C ATOM 3104 NZ LYS B 90 -2.655 15.467 6.873 1.00 2.03 N ATOM 0 H LYS B 90 1.534 15.503 3.824 1.00 0.58 H new ATOM 0 HA LYS B 90 0.163 14.777 1.432 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -1.869 15.546 2.592 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -0.915 14.420 3.536 1.00 0.59 H new ATOM 0 HG2 LYS B 90 -0.342 17.282 4.105 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -1.980 16.783 4.477 1.00 0.66 H new ATOM 0 HD2 LYS B 90 0.473 15.277 5.474 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -0.276 16.579 6.377 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -1.821 14.118 5.471 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -0.974 14.186 7.003 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -3.498 14.869 6.755 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -2.475 15.616 7.887 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -2.814 16.385 6.411 1.00 2.03 H new ATOM 3118 N LYS B 91 0.748 18.002 1.904 1.00 0.55 N ATOM 3119 CA LYS B 91 0.776 19.326 1.260 1.00 0.59 C ATOM 3120 C LYS B 91 2.127 20.013 1.585 1.00 0.62 C ATOM 3121 O LYS B 91 2.171 21.053 2.255 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.435 20.179 1.726 1.00 0.64 C ATOM 3123 CG LYS B 91 -0.807 21.321 0.772 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.173 21.932 1.116 1.00 0.84 C ATOM 3125 CE LYS B 91 -2.807 22.672 -0.066 1.00 1.14 C ATOM 3126 NZ LYS B 91 -2.167 23.995 -0.331 1.00 1.36 N ATOM 0 H LYS B 91 1.232 17.973 2.802 1.00 0.55 H new ATOM 0 HA LYS B 91 0.693 19.219 0.178 1.00 0.59 H new ATOM 0 HB2 LYS B 91 -1.299 19.526 1.847 1.00 0.64 H new ATOM 0 HB3 LYS B 91 -0.213 20.599 2.707 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -0.041 22.095 0.817 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -0.824 20.948 -0.252 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.846 21.142 1.447 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -2.057 22.623 1.951 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -2.732 22.052 -0.959 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -3.869 22.820 0.131 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -2.635 24.451 -1.140 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -2.260 24.600 0.509 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -1.159 23.856 -0.547 1.00 1.36 H new ATOM 3140 N ASP B 92 3.235 19.396 1.103 1.00 0.66 N ATOM 3141 CA ASP B 92 4.608 19.899 1.353 1.00 0.74 C ATOM 3142 C ASP B 92 4.896 21.236 0.625 1.00 0.92 C ATOM 3143 O ASP B 92 5.388 21.258 -0.511 1.00 1.72 O ATOM 3144 CB ASP B 92 5.673 18.820 1.006 1.00 0.75 C ATOM 3145 CG ASP B 92 5.621 18.325 -0.438 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.593 17.726 -0.824 1.00 0.93 O ATOM 3147 OD2 ASP B 92 6.608 18.530 -1.173 1.00 1.15 O ATOM 0 H ASP B 92 3.203 18.547 0.538 1.00 0.66 H new ATOM 0 HA ASP B 92 4.676 20.109 2.420 1.00 0.74 H new ATOM 0 HB2 ASP B 92 6.664 19.229 1.202 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.542 17.969 1.674 1.00 0.75 H new ATOM 3152 N LEU B 93 4.567 22.347 1.309 1.00 0.63 N ATOM 3153 CA LEU B 93 4.777 23.711 0.785 1.00 0.66 C ATOM 3154 C LEU B 93 4.618 24.745 1.917 1.00 0.69 C ATOM 3155 O LEU B 93 5.535 25.531 2.171 1.00 0.82 O ATOM 3156 CB LEU B 93 3.805 24.019 -0.388 1.00 0.71 C ATOM 3157 CG LEU B 93 4.105 25.298 -1.214 1.00 0.97 C ATOM 3158 CD1 LEU B 93 5.418 25.163 -1.996 1.00 1.27 C ATOM 3159 CD2 LEU B 93 2.944 25.618 -2.162 1.00 1.18 C ATOM 0 H LEU B 93 4.149 22.326 2.239 1.00 0.63 H new ATOM 0 HA LEU B 93 5.793 23.775 0.395 1.00 0.66 H new ATOM 0 HB2 LEU B 93 3.807 23.166 -1.066 1.00 0.71 H new ATOM 0 HB3 LEU B 93 2.796 24.102 0.017 1.00 0.71 H new ATOM 0 HG LEU B 93 4.217 26.125 -0.513 1.00 0.97 H new ATOM 0 HD11 LEU B 93 5.599 26.076 -2.564 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.241 25.000 -1.300 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.349 24.318 -2.680 1.00 1.27 H new ATOM 0 HD21 LEU B 93 3.176 26.518 -2.731 1.00 1.18 H new ATOM 0 HD22 LEU B 93 2.794 24.784 -2.848 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.035 25.779 -1.583 1.00 1.18 H new ATOM 3171 N LYS B 94 3.446 24.724 2.593 1.00 0.66 N ATOM 3172 CA LYS B 94 3.145 25.640 3.710 1.00 0.74 C ATOM 3173 C LYS B 94 3.211 24.902 5.070 1.00 0.70 C ATOM 3174 O LYS B 94 3.606 25.501 6.074 1.00 0.79 O ATOM 3175 CB LYS B 94 1.756 26.307 3.507 1.00 0.84 C ATOM 3176 CG LYS B 94 1.776 27.843 3.531 1.00 1.00 C ATOM 3177 CD LYS B 94 2.418 28.446 2.274 1.00 1.15 C ATOM 3178 CE LYS B 94 2.733 29.934 2.441 1.00 1.45 C ATOM 3179 NZ LYS B 94 3.848 30.183 3.407 1.00 1.61 N ATOM 0 H LYS B 94 2.689 24.075 2.379 1.00 0.66 H new ATOM 0 HA LYS B 94 3.903 26.423 3.721 1.00 0.74 H new ATOM 0 HB2 LYS B 94 1.345 25.977 2.553 1.00 0.84 H new ATOM 0 HB3 LYS B 94 1.080 25.953 4.285 1.00 0.84 H new ATOM 0 HG2 LYS B 94 0.756 28.214 3.627 1.00 1.00 H new ATOM 0 HG3 LYS B 94 2.322 28.182 4.411 1.00 1.00 H new ATOM 0 HD2 LYS B 94 3.336 27.906 2.043 1.00 1.15 H new ATOM 0 HD3 LYS B 94 1.747 28.312 1.426 1.00 1.15 H new ATOM 0 HE2 LYS B 94 2.997 30.356 1.471 1.00 1.45 H new ATOM 0 HE3 LYS B 94 1.838 30.454 2.783 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 4.145 31.178 3.345 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 3.522 29.978 4.373 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 4.653 29.566 3.175 1.00 1.61 H new ATOM 3193 N ILE B 95 2.816 23.605 5.092 1.00 0.65 N ATOM 3194 CA ILE B 95 2.838 22.775 6.322 1.00 0.66 C ATOM 3195 C ILE B 95 3.951 21.710 6.235 1.00 0.68 C ATOM 3196 O ILE B 95 3.750 20.632 5.665 1.00 0.78 O ATOM 3197 CB ILE B 95 1.451 22.093 6.622 1.00 0.74 C ATOM 3198 CG1 ILE B 95 0.809 21.505 5.330 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.508 23.091 7.307 1.00 0.84 C ATOM 3200 CD1 ILE B 95 -0.450 20.677 5.545 1.00 1.04 C ATOM 0 H ILE B 95 2.477 23.109 4.268 1.00 0.65 H new ATOM 0 HA ILE B 95 3.047 23.449 7.153 1.00 0.66 H new ATOM 0 HB ILE B 95 1.623 21.257 7.300 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.571 22.328 4.656 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.550 20.884 4.827 1.00 0.83 H new ATOM 0 HG21 ILE B 95 -0.448 22.608 7.510 1.00 0.84 H new ATOM 0 HG22 ILE B 95 0.951 23.426 8.245 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.350 23.949 6.654 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -0.816 20.315 4.584 1.00 1.04 H new ATOM 0 HD12 ILE B 95 -0.222 19.828 6.189 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -1.215 21.294 6.016 1.00 1.04 H new ATOM 3212 N ARG B 96 5.130 22.034 6.802 1.00 0.70 N ATOM 3213 CA ARG B 96 6.297 21.129 6.787 1.00 0.79 C ATOM 3214 C ARG B 96 6.633 20.552 8.190 1.00 0.79 C ATOM 3215 O ARG B 96 7.729 20.014 8.384 1.00 1.02 O ATOM 3216 CB ARG B 96 7.523 21.864 6.185 1.00 0.99 C ATOM 3217 CG ARG B 96 7.956 23.130 6.939 1.00 1.12 C ATOM 3218 CD ARG B 96 9.208 23.767 6.333 1.00 1.41 C ATOM 3219 NE ARG B 96 10.429 22.970 6.579 1.00 1.59 N ATOM 3220 CZ ARG B 96 11.477 22.849 5.729 1.00 2.01 C ATOM 3221 NH1 ARG B 96 11.477 23.423 4.514 1.00 2.42 N ATOM 3222 NH2 ARG B 96 12.540 22.130 6.104 1.00 2.37 N ATOM 0 H ARG B 96 5.300 22.920 7.278 1.00 0.70 H new ATOM 0 HA ARG B 96 6.039 20.275 6.160 1.00 0.79 H new ATOM 0 HB2 ARG B 96 8.364 21.171 6.155 1.00 0.99 H new ATOM 0 HB3 ARG B 96 7.296 22.134 5.154 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.141 23.854 6.927 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.147 22.881 7.983 1.00 1.12 H new ATOM 0 HD2 ARG B 96 9.067 23.886 5.259 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.341 24.766 6.749 1.00 1.41 H new ATOM 0 HE ARG B 96 10.487 22.468 7.465 1.00 1.59 H new ATOM 0 HH11 ARG B 96 10.672 23.969 4.208 1.00 2.42 H new ATOM 0 HH12 ARG B 96 12.282 23.313 3.898 1.00 2.42 H new ATOM 0 HH21 ARG B 96 12.555 21.681 7.020 1.00 2.37 H new ATOM 0 HH22 ARG B 96 13.336 22.030 5.474 1.00 2.37 H new ATOM 3236 N LYS B 97 5.689 20.641 9.160 1.00 0.72 N ATOM 3237 CA LYS B 97 5.918 20.119 10.525 1.00 0.76 C ATOM 3238 C LYS B 97 4.591 19.746 11.228 1.00 0.76 C ATOM 3239 O LYS B 97 3.735 20.606 11.448 1.00 1.04 O ATOM 3240 CB LYS B 97 6.720 21.134 11.387 1.00 0.89 C ATOM 3241 CG LYS B 97 6.168 22.571 11.392 1.00 0.94 C ATOM 3242 CD LYS B 97 6.815 23.444 12.476 1.00 1.16 C ATOM 3243 CE LYS B 97 6.374 24.911 12.398 1.00 1.49 C ATOM 3244 NZ LYS B 97 4.936 25.107 12.755 1.00 1.86 N ATOM 0 H LYS B 97 4.772 21.065 9.022 1.00 0.72 H new ATOM 0 HA LYS B 97 6.509 19.209 10.423 1.00 0.76 H new ATOM 0 HB2 LYS B 97 6.750 20.770 12.414 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.749 21.158 11.027 1.00 0.89 H new ATOM 0 HG2 LYS B 97 6.336 23.025 10.416 1.00 0.94 H new ATOM 0 HG3 LYS B 97 5.090 22.542 11.548 1.00 0.94 H new ATOM 0 HD2 LYS B 97 6.561 23.044 13.458 1.00 1.16 H new ATOM 0 HD3 LYS B 97 7.899 23.390 12.381 1.00 1.16 H new ATOM 0 HE2 LYS B 97 6.994 25.507 13.068 1.00 1.49 H new ATOM 0 HE3 LYS B 97 6.546 25.283 11.388 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.695 26.116 12.685 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.339 24.562 12.101 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 4.772 24.779 13.728 1.00 1.86 H new ATOM 3258 N LYS B 98 4.430 18.449 11.574 1.00 0.71 N ATOM 3259 CA LYS B 98 3.221 17.955 12.270 1.00 0.74 C ATOM 3260 C LYS B 98 3.504 16.598 12.941 1.00 0.90 C ATOM 3261 O LYS B 98 3.689 16.577 14.178 1.00 1.07 O ATOM 3262 CB LYS B 98 2.013 17.849 11.301 1.00 0.96 C ATOM 3263 CG LYS B 98 0.660 17.654 12.000 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.492 17.477 11.007 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.822 17.170 11.705 1.00 1.69 C ATOM 3266 NZ LYS B 98 -2.328 18.316 12.522 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.547 15.575 12.224 1.00 1.15 O ATOM 0 H LYS B 98 5.123 17.725 11.382 1.00 0.71 H new ATOM 0 HA LYS B 98 2.960 18.678 13.043 1.00 0.74 H new ATOM 0 HB2 LYS B 98 1.968 18.753 10.694 1.00 0.96 H new ATOM 0 HB3 LYS B 98 2.181 17.015 10.619 1.00 0.96 H new ATOM 0 HG2 LYS B 98 0.713 16.781 12.650 1.00 1.08 H new ATOM 0 HG3 LYS B 98 0.457 18.514 12.638 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.598 18.384 10.412 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.252 16.669 10.316 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.568 16.908 10.955 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.697 16.299 12.348 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -3.229 18.052 12.970 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -1.632 18.552 13.257 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -2.476 19.142 11.907 1.00 1.85 H new