USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= 1.07 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.904 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.246 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.387 K(o=0.63,f=-5.3!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0.786 (180deg=-0.116) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.803 USER MOD Single : A 1 MET CE :methyl 165:sc= 0 (180deg=-0.013) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.11 (180deg=0.865) USER MOD Single : A 2 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 1.13 (180deg=-0.505!) USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.239 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 2.34 (180deg=2.32) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.279 K(o=0.28,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00669 X(o=-0.0067,f=0) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.205 USER MOD Single : A 60 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.25) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.178 K(o=0.18,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.203 -6.869 -5.530 1.00 9.67 N ATOM 2 CA MET A 1 11.181 -7.242 -4.100 1.00 10.38 C ATOM 3 C MET A 1 9.781 -7.734 -3.694 1.00 9.62 C ATOM 4 O MET A 1 8.871 -7.835 -4.475 1.00 9.62 O ATOM 5 CB MET A 1 11.661 -6.136 -3.145 1.00 13.77 C ATOM 6 CG MET A 1 10.735 -5.024 -2.753 1.00 16.29 C ATOM 7 SD MET A 1 11.591 -3.748 -1.839 1.00 17.17 S ATOM 8 CE MET A 1 10.186 -2.641 -1.852 1.00 16.11 C ATOM 0 H1 MET A 1 11.970 -6.187 -5.699 1.00 9.67 H new ATOM 0 H2 MET A 1 11.362 -7.719 -6.108 1.00 9.67 H new ATOM 0 H3 MET A 1 10.293 -6.438 -5.790 1.00 9.67 H new ATOM 0 HA MET A 1 11.905 -8.051 -3.997 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.989 -6.622 -2.226 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.542 -5.679 -3.596 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.285 -4.592 -3.647 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.922 -5.423 -2.147 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.339 -1.850 -1.118 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.079 -2.200 -2.843 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.282 -3.197 -1.603 1.00 16.11 H new ATOM 20 N GLN A 2 9.499 -8.087 -2.425 1.00 9.27 N ATOM 21 CA GLN A 2 8.253 -8.531 -1.906 1.00 9.07 C ATOM 22 C GLN A 2 7.861 -7.678 -0.710 1.00 8.72 C ATOM 23 O GLN A 2 8.784 -7.308 0.012 1.00 8.22 O ATOM 24 CB GLN A 2 8.281 -9.984 -1.459 1.00 14.46 C ATOM 25 CG GLN A 2 8.818 -11.013 -2.516 1.00 17.01 C ATOM 26 CD GLN A 2 7.937 -11.298 -3.701 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.720 -11.573 -3.625 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.508 -11.266 -4.948 1.00 19.49 N ATOM 0 H GLN A 2 10.217 -8.055 -1.701 1.00 9.27 H new ATOM 0 HA GLN A 2 7.530 -8.438 -2.717 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.897 -10.057 -0.563 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.270 -10.277 -1.175 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.776 -10.649 -2.886 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.011 -11.955 -2.003 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.499 -11.045 -5.050 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.942 -11.463 -5.773 1.00 19.49 H new ATOM 37 N ILE A 3 6.612 -7.277 -0.487 1.00 5.87 N ATOM 38 CA ILE A 3 6.236 -6.573 0.753 1.00 5.07 C ATOM 39 C ILE A 3 4.998 -7.278 1.253 1.00 4.01 C ATOM 40 O ILE A 3 4.400 -8.058 0.543 1.00 4.61 O ATOM 41 CB ILE A 3 5.971 -5.056 0.617 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.975 -4.819 -0.557 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.278 -4.232 0.487 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.569 -3.343 -0.661 1.00 10.83 C ATOM 0 H ILE A 3 5.842 -7.423 -1.140 1.00 5.87 H new ATOM 0 HA ILE A 3 7.082 -6.615 1.439 1.00 5.07 H new ATOM 0 HB ILE A 3 5.511 -4.691 1.536 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.432 -5.138 -1.493 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.086 -5.433 -0.411 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.033 -3.174 0.394 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.895 -4.386 1.373 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.826 -4.556 -0.398 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.874 -3.214 -1.491 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.089 -3.032 0.267 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.456 -2.733 -0.833 1.00 10.83 H new ATOM 56 N PHE A 4 4.521 -6.951 2.468 1.00 4.55 N ATOM 57 CA PHE A 4 3.292 -7.454 3.079 1.00 4.68 C ATOM 58 C PHE A 4 2.280 -6.377 3.282 1.00 5.30 C ATOM 59 O PHE A 4 2.676 -5.356 3.844 1.00 5.58 O ATOM 60 CB PHE A 4 3.579 -8.167 4.393 1.00 4.83 C ATOM 61 CG PHE A 4 4.667 -9.156 4.148 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.531 -10.262 3.209 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.812 -9.115 4.908 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.541 -11.236 3.102 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.766 -10.105 4.934 1.00 10.61 C ATOM 66 CZ PHE A 4 6.642 -11.145 3.976 1.00 8.90 C ATOM 0 H PHE A 4 5.012 -6.295 3.075 1.00 4.55 H new ATOM 0 HA PHE A 4 2.869 -8.174 2.379 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.879 -7.451 5.158 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.683 -8.668 4.759 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.649 -10.335 2.591 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.973 -8.245 5.527 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.474 -12.029 2.372 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.573 -10.092 5.651 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.419 -11.893 3.915 1.00 8.90 H new ATOM 76 N VAL A 5 1.062 -6.583 2.913 1.00 4.44 N ATOM 77 CA VAL A 5 0.001 -5.681 3.242 1.00 3.87 C ATOM 78 C VAL A 5 -1.038 -6.427 4.080 1.00 4.93 C ATOM 79 O VAL A 5 -1.529 -7.514 3.804 1.00 6.84 O ATOM 80 CB VAL A 5 -0.561 -5.060 1.984 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.852 -4.243 2.309 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.515 -4.200 1.311 1.00 9.13 C ATOM 0 H VAL A 5 0.767 -7.392 2.367 1.00 4.44 H new ATOM 0 HA VAL A 5 0.365 -4.850 3.846 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.849 -5.844 1.284 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.244 -3.802 1.392 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.602 -4.905 2.743 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.612 -3.451 3.019 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.109 -3.753 0.404 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.831 -3.412 1.994 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.372 -4.823 1.056 1.00 9.13 H new ATOM 92 N LYS A 6 -1.328 -5.874 5.288 1.00 6.04 N ATOM 93 CA LYS A 6 -2.263 -6.470 6.213 1.00 6.12 C ATOM 94 C LYS A 6 -3.594 -5.738 6.053 1.00 6.57 C ATOM 95 O LYS A 6 -3.721 -4.510 6.006 1.00 5.76 O ATOM 96 CB LYS A 6 -1.797 -6.312 7.619 1.00 7.45 C ATOM 97 CG LYS A 6 -0.877 -7.484 7.961 1.00 11.12 C ATOM 98 CD LYS A 6 -0.401 -7.533 9.404 1.00 14.54 C ATOM 99 CE LYS A 6 0.493 -8.612 9.757 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.116 -9.954 9.457 1.00 20.55 N ATOM 0 H LYS A 6 -0.910 -5.007 5.624 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.358 -7.535 6.001 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.267 -5.367 7.738 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.648 -6.288 8.299 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.400 -8.413 7.736 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.005 -7.443 7.309 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.098 -6.590 9.630 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.277 -7.592 10.049 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.428 -8.505 9.208 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.737 -8.551 10.818 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.552 -10.706 9.722 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.996 -10.065 10.000 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.326 -10.021 8.441 1.00 20.55 H new ATOM 114 N THR A 7 -4.686 -6.502 5.967 1.00 7.41 N ATOM 115 CA THR A 7 -5.989 -5.859 6.098 1.00 7.48 C ATOM 116 C THR A 7 -6.402 -5.781 7.569 1.00 8.75 C ATOM 117 O THR A 7 -5.806 -6.454 8.427 1.00 8.58 O ATOM 118 CB THR A 7 -7.092 -6.616 5.329 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.336 -7.887 5.867 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.600 -6.805 3.874 1.00 9.17 C ATOM 0 H THR A 7 -4.697 -7.511 5.816 1.00 7.41 H new ATOM 0 HA THR A 7 -5.885 -4.860 5.674 1.00 7.48 H new ATOM 0 HB THR A 7 -8.014 -6.038 5.391 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.042 -8.330 5.352 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.358 -7.338 3.300 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.421 -5.830 3.421 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.674 -7.380 3.875 1.00 9.17 H new ATOM 128 N LEU A 8 -7.448 -4.945 7.862 1.00 9.84 N ATOM 129 CA LEU A 8 -8.045 -4.927 9.221 1.00 14.15 C ATOM 130 C LEU A 8 -8.573 -6.326 9.613 1.00 17.37 C ATOM 131 O LEU A 8 -8.379 -6.736 10.735 1.00 17.01 O ATOM 132 CB LEU A 8 -9.089 -3.797 9.227 1.00 16.63 C ATOM 133 CG LEU A 8 -9.795 -3.615 10.571 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.809 -3.181 11.674 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.995 -2.749 10.332 1.00 18.59 C ATOM 0 H LEU A 8 -7.876 -4.301 7.197 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.314 -4.711 10.000 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.600 -2.862 8.955 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.836 -4.001 8.460 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.175 -4.551 10.980 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.346 -3.061 12.615 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.036 -3.941 11.791 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.347 -2.234 11.397 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.526 -2.596 11.271 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.675 -1.786 9.935 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.657 -3.235 9.615 1.00 18.59 H new ATOM 147 N THR A 9 -9.195 -7.114 8.686 1.00 18.33 N ATOM 148 CA THR A 9 -9.833 -8.340 9.136 1.00 19.24 C ATOM 149 C THR A 9 -8.988 -9.561 8.904 1.00 19.48 C ATOM 150 O THR A 9 -9.406 -10.646 8.512 1.00 23.14 O ATOM 151 CB THR A 9 -11.184 -8.592 8.492 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.242 -8.447 7.095 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.196 -7.557 8.982 1.00 19.70 C ATOM 0 H THR A 9 -9.256 -6.920 7.686 1.00 18.33 H new ATOM 0 HA THR A 9 -9.967 -8.177 10.205 1.00 19.24 H new ATOM 0 HB THR A 9 -11.388 -9.627 8.764 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.153 -8.633 6.784 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.163 -7.744 8.515 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.295 -7.630 10.065 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.852 -6.558 8.716 1.00 19.70 H new ATOM 161 N GLY A 10 -7.607 -9.465 9.188 1.00 19.43 N ATOM 162 CA GLY A 10 -6.736 -10.623 9.531 1.00 18.74 C ATOM 163 C GLY A 10 -6.133 -11.269 8.370 1.00 17.62 C ATOM 164 O GLY A 10 -5.436 -12.276 8.612 1.00 19.74 O ATOM 0 H GLY A 10 -7.105 -8.577 9.176 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.944 -10.285 10.199 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.324 -11.358 10.080 1.00 18.74 H new ATOM 168 N LYS A 11 -6.264 -10.648 7.166 1.00 13.56 N ATOM 169 CA LYS A 11 -5.655 -11.153 5.936 1.00 11.91 C ATOM 170 C LYS A 11 -4.327 -10.524 5.761 1.00 10.18 C ATOM 171 O LYS A 11 -4.136 -9.357 6.072 1.00 9.10 O ATOM 172 CB LYS A 11 -6.524 -10.860 4.673 1.00 13.43 C ATOM 173 CG LYS A 11 -6.401 -11.898 3.502 1.00 16.69 C ATOM 174 CD LYS A 11 -7.296 -11.513 2.263 1.00 17.92 C ATOM 175 CE LYS A 11 -6.951 -12.384 1.032 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.748 -12.037 -0.154 1.00 21.93 N ATOM 0 H LYS A 11 -6.796 -9.787 7.037 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.569 -12.235 6.034 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.569 -10.808 4.979 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.254 -9.876 4.290 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.359 -11.966 3.188 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.690 -12.885 3.863 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.348 -11.639 2.518 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.151 -10.461 2.019 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.892 -12.271 0.798 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.113 -13.433 1.278 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.245 -12.883 -0.498 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.444 -11.306 0.097 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.120 -11.676 -0.901 1.00 21.93 H new ATOM 190 N THR A 12 -3.387 -11.279 5.252 1.00 9.63 N ATOM 191 CA THR A 12 -2.049 -10.741 4.915 1.00 9.85 C ATOM 192 C THR A 12 -1.671 -11.118 3.517 1.00 11.66 C ATOM 193 O THR A 12 -1.405 -12.295 3.319 1.00 12.33 O ATOM 194 CB THR A 12 -0.983 -11.284 5.820 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.309 -10.963 7.158 1.00 10.91 O ATOM 196 CG2 THR A 12 0.414 -10.610 5.633 1.00 9.63 C ATOM 0 H THR A 12 -3.502 -12.273 5.053 1.00 9.63 H new ATOM 0 HA THR A 12 -2.115 -9.659 5.029 1.00 9.85 H new ATOM 0 HB THR A 12 -0.934 -12.348 5.587 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.099 -11.725 7.738 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.129 -11.058 6.323 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.756 -10.759 4.609 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.333 -9.542 5.837 1.00 9.63 H new ATOM 204 N ILE A 13 -1.579 -10.156 2.576 1.00 10.42 N ATOM 205 CA ILE A 13 -1.291 -10.453 1.195 1.00 11.84 C ATOM 206 C ILE A 13 0.118 -10.056 0.925 1.00 10.55 C ATOM 207 O ILE A 13 0.644 -9.139 1.531 1.00 11.92 O ATOM 208 CB ILE A 13 -2.326 -9.772 0.320 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.361 -8.216 0.430 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.690 -10.381 0.523 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.350 -7.624 -0.540 1.00 16.46 C ATOM 0 H ILE A 13 -1.705 -9.163 2.770 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.365 -11.516 0.965 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.005 -9.961 -0.704 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.627 -7.926 1.447 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.368 -7.812 0.233 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.413 -9.875 -0.116 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.658 -11.440 0.266 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.987 -10.270 1.566 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.352 -6.539 -0.440 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.068 -7.894 -1.558 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.346 -8.010 -0.325 1.00 16.46 H new ATOM 223 N THR A 14 0.758 -10.792 -0.058 1.00 9.39 N ATOM 224 CA THR A 14 2.158 -10.575 -0.267 1.00 9.63 C ATOM 225 C THR A 14 2.239 -10.095 -1.653 1.00 11.20 C ATOM 226 O THR A 14 1.537 -10.589 -2.544 1.00 11.63 O ATOM 227 CB THR A 14 2.985 -11.921 -0.266 1.00 10.38 C ATOM 228 OG1 THR A 14 2.920 -12.447 1.047 1.00 16.30 O ATOM 229 CG2 THR A 14 4.495 -11.582 -0.449 1.00 11.66 C ATOM 0 H THR A 14 0.319 -11.488 -0.660 1.00 9.39 H new ATOM 0 HA THR A 14 2.547 -9.916 0.509 1.00 9.63 H new ATOM 0 HB THR A 14 2.603 -12.588 -1.039 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.590 -12.006 1.610 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.077 -12.503 -0.450 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.639 -11.061 -1.395 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.827 -10.944 0.370 1.00 11.66 H new ATOM 237 N LEU A 15 3.031 -9.028 -1.882 1.00 8.29 N ATOM 238 CA LEU A 15 2.962 -8.399 -3.177 1.00 9.03 C ATOM 239 C LEU A 15 4.399 -8.238 -3.768 1.00 8.59 C ATOM 240 O LEU A 15 5.351 -7.741 -3.124 1.00 7.79 O ATOM 241 CB LEU A 15 2.554 -6.953 -3.023 1.00 11.08 C ATOM 242 CG LEU A 15 1.203 -6.734 -2.313 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.935 -5.230 -2.240 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.026 -7.510 -2.887 1.00 15.27 C ATOM 0 H LEU A 15 3.685 -8.616 -1.216 1.00 8.29 H new ATOM 0 HA LEU A 15 2.285 -9.004 -3.780 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.330 -6.429 -2.466 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.507 -6.496 -4.012 1.00 11.08 H new ATOM 0 HG LEU A 15 1.312 -7.172 -1.321 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.018 -5.054 -1.740 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.734 -4.745 -1.679 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.897 -4.818 -3.248 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.913 -7.271 -2.301 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.187 -7.219 -3.925 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.164 -8.582 -2.836 1.00 15.27 H new ATOM 256 N GLU A 16 4.578 -8.746 -5.004 1.00 11.04 N ATOM 257 CA GLU A 16 5.730 -8.518 -5.866 1.00 11.50 C ATOM 258 C GLU A 16 5.773 -7.076 -6.297 1.00 10.13 C ATOM 259 O GLU A 16 4.894 -6.630 -7.001 1.00 9.83 O ATOM 260 CB GLU A 16 5.749 -9.472 -7.088 1.00 17.22 C ATOM 261 CG GLU A 16 7.076 -9.663 -7.858 1.00 23.33 C ATOM 262 CD GLU A 16 6.884 -10.703 -8.910 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.112 -10.533 -9.884 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.553 -11.768 -8.825 1.00 28.86 O ATOM 0 H GLU A 16 3.884 -9.354 -5.439 1.00 11.04 H new ATOM 0 HA GLU A 16 6.627 -8.740 -5.288 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.420 -10.454 -6.747 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.003 -9.115 -7.798 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.386 -8.722 -8.312 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.869 -9.963 -7.173 1.00 23.33 H new ATOM 271 N VAL A 17 6.829 -6.364 -5.912 1.00 8.99 N ATOM 272 CA VAL A 17 7.004 -4.937 -6.252 1.00 8.85 C ATOM 273 C VAL A 17 8.441 -4.478 -6.359 1.00 8.04 C ATOM 274 O VAL A 17 9.337 -5.139 -5.875 1.00 8.99 O ATOM 275 CB VAL A 17 6.302 -3.949 -5.273 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.781 -4.204 -5.182 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.007 -4.020 -3.856 1.00 10.54 C ATOM 0 H VAL A 17 7.592 -6.751 -5.356 1.00 8.99 H new ATOM 0 HA VAL A 17 6.529 -4.902 -7.233 1.00 8.85 H new ATOM 0 HB VAL A 17 6.409 -2.937 -5.663 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.334 -3.492 -4.488 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.332 -4.082 -6.168 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.603 -5.219 -4.826 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.516 -3.329 -3.170 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.933 -5.034 -3.463 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.057 -3.746 -3.958 1.00 10.54 H new ATOM 287 N GLU A 18 8.782 -3.262 -6.864 1.00 7.29 N ATOM 288 CA GLU A 18 10.086 -2.681 -6.725 1.00 7.08 C ATOM 289 C GLU A 18 10.072 -1.568 -5.663 1.00 6.45 C ATOM 290 O GLU A 18 9.016 -0.991 -5.433 1.00 5.28 O ATOM 291 CB GLU A 18 10.591 -1.981 -8.020 1.00 10.28 C ATOM 292 CG GLU A 18 11.004 -2.899 -9.225 1.00 12.65 C ATOM 293 CD GLU A 18 12.060 -3.914 -8.773 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.124 -3.577 -8.240 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.755 -5.151 -8.949 1.00 14.33 O ATOM 0 H GLU A 18 8.129 -2.674 -7.381 1.00 7.29 H new ATOM 0 HA GLU A 18 10.733 -3.518 -6.465 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.808 -1.305 -8.365 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.451 -1.365 -7.756 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.129 -3.421 -9.612 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.398 -2.290 -10.039 1.00 12.65 H new ATOM 302 N PRO A 19 11.248 -1.210 -5.110 1.00 7.24 N ATOM 303 CA PRO A 19 11.328 0.063 -4.405 1.00 7.07 C ATOM 304 C PRO A 19 11.080 1.254 -5.303 1.00 6.65 C ATOM 305 O PRO A 19 10.711 2.240 -4.742 1.00 6.37 O ATOM 306 CB PRO A 19 12.788 0.123 -3.881 1.00 7.61 C ATOM 307 CG PRO A 19 13.392 -1.288 -4.058 1.00 8.16 C ATOM 308 CD PRO A 19 12.481 -2.019 -5.032 1.00 7.49 C ATOM 0 HA PRO A 19 10.568 0.113 -3.625 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.366 0.862 -4.436 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.809 0.423 -2.833 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.409 -1.230 -4.445 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.443 -1.812 -3.104 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.950 -2.113 -6.011 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.265 -3.029 -4.684 1.00 7.49 H new ATOM 316 N SER A 20 11.289 1.276 -6.609 1.00 6.80 N ATOM 317 CA SER A 20 11.043 2.437 -7.404 1.00 6.28 C ATOM 318 C SER A 20 9.579 2.544 -7.820 1.00 8.45 C ATOM 319 O SER A 20 9.199 3.524 -8.497 1.00 7.26 O ATOM 320 CB SER A 20 11.916 2.520 -8.702 1.00 8.57 C ATOM 321 OG SER A 20 11.893 1.209 -9.260 1.00 11.13 O ATOM 0 H SER A 20 11.637 0.476 -7.138 1.00 6.80 H new ATOM 0 HA SER A 20 11.319 3.264 -6.750 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.511 3.251 -9.401 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.935 2.830 -8.471 1.00 8.57 H new ATOM 0 HG SER A 20 12.425 1.194 -10.083 1.00 11.13 H new ATOM 327 N ASP A 21 8.657 1.591 -7.386 1.00 7.50 N ATOM 328 CA ASP A 21 7.232 1.708 -7.686 1.00 7.70 C ATOM 329 C ASP A 21 6.706 2.876 -6.873 1.00 7.08 C ATOM 330 O ASP A 21 7.164 3.179 -5.760 1.00 8.11 O ATOM 331 CB ASP A 21 6.463 0.346 -7.529 1.00 11.00 C ATOM 332 CG ASP A 21 6.755 -0.630 -8.671 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.868 -0.238 -9.904 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.793 -1.875 -8.345 1.00 18.03 O ATOM 0 H ASP A 21 8.906 0.765 -6.842 1.00 7.50 H new ATOM 0 HA ASP A 21 7.057 1.929 -8.739 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.740 -0.116 -6.581 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.391 0.541 -7.488 1.00 11.00 H new ATOM 339 N THR A 22 5.669 3.611 -7.316 1.00 5.37 N ATOM 340 CA THR A 22 4.933 4.581 -6.465 1.00 6.01 C ATOM 341 C THR A 22 4.028 3.915 -5.449 1.00 8.01 C ATOM 342 O THR A 22 3.731 2.738 -5.559 1.00 8.11 O ATOM 343 CB THR A 22 4.128 5.649 -7.167 1.00 8.92 C ATOM 344 OG1 THR A 22 3.138 5.050 -7.996 1.00 10.22 O ATOM 345 CG2 THR A 22 5.085 6.406 -8.117 1.00 9.65 C ATOM 0 H THR A 22 5.314 3.554 -8.270 1.00 5.37 H new ATOM 0 HA THR A 22 5.768 5.088 -5.982 1.00 6.01 H new ATOM 0 HB THR A 22 3.665 6.297 -6.423 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.620 5.750 -8.446 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.534 7.187 -8.642 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.891 6.857 -7.538 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.505 5.709 -8.842 1.00 9.65 H new ATOM 353 N ILE A 23 3.538 4.510 -4.397 1.00 8.32 N ATOM 354 CA ILE A 23 2.525 3.970 -3.491 1.00 9.92 C ATOM 355 C ILE A 23 1.243 3.591 -4.285 1.00 10.01 C ATOM 356 O ILE A 23 0.737 2.513 -4.117 1.00 8.71 O ATOM 357 CB ILE A 23 2.134 4.881 -2.320 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.415 5.363 -1.652 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.178 4.196 -1.299 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.413 4.332 -1.168 1.00 12.30 C ATOM 0 H ILE A 23 3.845 5.443 -4.120 1.00 8.32 H new ATOM 0 HA ILE A 23 2.996 3.094 -3.044 1.00 9.92 H new ATOM 0 HB ILE A 23 1.566 5.726 -2.710 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.930 6.017 -2.356 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.132 5.976 -0.797 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.941 4.895 -0.497 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.259 3.899 -1.804 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.664 3.314 -0.881 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.268 4.836 -0.718 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.940 3.688 -0.427 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.751 3.729 -2.011 1.00 12.30 H new ATOM 372 N GLU A 24 0.788 4.456 -5.226 1.00 9.54 N ATOM 373 CA GLU A 24 -0.269 4.198 -6.179 1.00 11.81 C ATOM 374 C GLU A 24 -0.072 2.970 -7.033 1.00 11.14 C ATOM 375 O GLU A 24 -0.989 2.129 -7.160 1.00 10.62 O ATOM 376 CB GLU A 24 -0.508 5.478 -7.090 1.00 19.24 C ATOM 377 CG GLU A 24 -1.448 5.253 -8.329 1.00 27.76 C ATOM 378 CD GLU A 24 -1.840 6.504 -9.137 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.946 7.215 -9.691 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.038 6.780 -9.189 1.00 36.51 O ATOM 0 H GLU A 24 1.181 5.392 -5.328 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.155 3.986 -5.580 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.932 6.270 -6.472 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.458 5.835 -7.447 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.958 4.552 -9.004 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.362 4.774 -7.980 1.00 27.76 H new ATOM 387 N ASN A 25 1.141 2.716 -7.549 1.00 9.43 N ATOM 388 CA ASN A 25 1.538 1.439 -8.208 1.00 10.96 C ATOM 389 C ASN A 25 1.342 0.223 -7.253 1.00 9.68 C ATOM 390 O ASN A 25 0.928 -0.858 -7.735 1.00 9.33 O ATOM 391 CB ASN A 25 3.029 1.395 -8.673 1.00 16.78 C ATOM 392 CG ASN A 25 3.314 2.364 -9.796 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.465 2.888 -9.735 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.446 2.477 -10.796 1.00 24.70 N ATOM 0 H ASN A 25 1.897 3.400 -7.525 1.00 9.43 H new ATOM 0 HA ASN A 25 0.889 1.383 -9.082 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.677 1.624 -7.827 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.275 0.384 -8.999 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.685 3.031 -11.619 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.541 2.010 -10.741 1.00 24.70 H new ATOM 401 N VAL A 26 1.597 0.405 -5.891 1.00 6.52 N ATOM 402 CA VAL A 26 1.379 -0.678 -4.974 1.00 5.53 C ATOM 403 C VAL A 26 -0.115 -0.975 -4.748 1.00 4.42 C ATOM 404 O VAL A 26 -0.654 -2.026 -4.870 1.00 3.40 O ATOM 405 CB VAL A 26 2.119 -0.462 -3.655 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.931 -1.605 -2.685 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.608 -0.173 -3.910 1.00 8.12 C ATOM 0 H VAL A 26 1.937 1.270 -5.471 1.00 6.52 H new ATOM 0 HA VAL A 26 1.801 -1.566 -5.444 1.00 5.53 H new ATOM 0 HB VAL A 26 1.676 0.413 -3.178 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.479 -1.396 -1.766 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.871 -1.718 -2.457 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.307 -2.526 -3.131 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.118 -0.022 -2.958 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.058 -1.017 -4.433 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.705 0.725 -4.520 1.00 8.12 H new ATOM 417 N LYS A 27 -0.892 0.184 -4.569 1.00 2.64 N ATOM 418 CA LYS A 27 -2.315 0.148 -4.705 1.00 4.14 C ATOM 419 C LYS A 27 -2.798 -0.477 -6.015 1.00 5.58 C ATOM 420 O LYS A 27 -3.772 -1.225 -5.979 1.00 4.11 O ATOM 421 CB LYS A 27 -2.991 1.544 -4.456 1.00 3.97 C ATOM 422 CG LYS A 27 -2.517 2.313 -3.241 1.00 7.45 C ATOM 423 CD LYS A 27 -3.187 3.697 -3.005 1.00 9.02 C ATOM 424 CE LYS A 27 -2.711 4.433 -1.746 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.375 5.715 -1.497 1.00 15.47 N ATOM 0 H LYS A 27 -0.510 1.101 -4.338 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.644 -0.520 -3.909 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.829 2.164 -5.338 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.067 1.392 -4.366 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.683 1.696 -2.358 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.441 2.463 -3.328 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.998 4.330 -3.872 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.266 3.557 -2.941 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.866 3.786 -0.883 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.638 4.605 -1.826 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.981 6.149 -0.638 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.221 6.349 -2.307 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.395 5.558 -1.368 1.00 15.47 H new ATOM 439 N ALA A 28 -2.187 -0.267 -7.198 1.00 6.61 N ATOM 440 CA ALA A 28 -2.542 -0.877 -8.502 1.00 7.74 C ATOM 441 C ALA A 28 -2.442 -2.378 -8.416 1.00 9.17 C ATOM 442 O ALA A 28 -3.374 -3.107 -8.774 1.00 11.45 O ATOM 443 CB ALA A 28 -1.743 -0.214 -9.650 1.00 7.68 C ATOM 0 H ALA A 28 -1.390 0.365 -7.277 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.585 -0.679 -8.749 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.018 -0.676 -10.598 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.972 0.851 -9.685 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.676 -0.350 -9.476 1.00 7.68 H new ATOM 449 N LYS A 29 -1.282 -2.869 -7.870 1.00 8.96 N ATOM 450 CA LYS A 29 -1.055 -4.295 -7.576 1.00 7.90 C ATOM 451 C LYS A 29 -2.034 -4.974 -6.563 1.00 6.92 C ATOM 452 O LYS A 29 -2.524 -6.076 -6.715 1.00 6.87 O ATOM 453 CB LYS A 29 0.368 -4.545 -7.079 1.00 10.28 C ATOM 454 CG LYS A 29 0.876 -5.957 -6.874 1.00 14.94 C ATOM 455 CD LYS A 29 0.805 -6.827 -8.108 1.00 19.69 C ATOM 456 CE LYS A 29 1.715 -8.024 -7.993 1.00 22.63 C ATOM 457 NZ LYS A 29 1.604 -8.859 -9.196 1.00 24.98 N ATOM 0 H LYS A 29 -0.489 -2.274 -7.628 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.244 -4.758 -8.544 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.044 -4.059 -7.783 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.472 -4.025 -6.127 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.910 -5.913 -6.533 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.298 -6.427 -6.078 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -0.221 -7.162 -8.260 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.082 -6.241 -8.984 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.746 -7.696 -7.863 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.452 -8.607 -7.110 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.235 -9.681 -9.107 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 0.622 -9.186 -9.303 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.876 -8.302 -10.031 1.00 24.98 H new ATOM 471 N ILE A 30 -2.506 -4.227 -5.513 1.00 4.57 N ATOM 472 CA ILE A 30 -3.581 -4.712 -4.649 1.00 5.58 C ATOM 473 C ILE A 30 -4.880 -4.843 -5.351 1.00 7.26 C ATOM 474 O ILE A 30 -5.523 -5.883 -5.145 1.00 9.46 O ATOM 475 CB ILE A 30 -3.691 -3.841 -3.382 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.342 -3.928 -2.639 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.986 -4.157 -2.482 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.192 -2.885 -1.547 1.00 2.00 C ATOM 0 H ILE A 30 -2.150 -3.304 -5.266 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.315 -5.724 -4.345 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.870 -2.802 -3.660 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.239 -4.921 -2.201 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.531 -3.811 -3.358 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.991 -3.503 -1.610 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.888 -3.986 -3.069 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.958 -5.197 -2.156 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.222 -3.001 -1.064 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.263 -1.889 -1.983 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.983 -3.015 -0.808 1.00 2.00 H new ATOM 490 N GLN A 31 -5.336 -3.940 -6.232 1.00 7.06 N ATOM 491 CA GLN A 31 -6.522 -4.149 -7.043 1.00 8.67 C ATOM 492 C GLN A 31 -6.516 -5.465 -7.841 1.00 10.90 C ATOM 493 O GLN A 31 -7.537 -6.067 -7.981 1.00 9.63 O ATOM 494 CB GLN A 31 -6.670 -3.006 -8.048 1.00 9.12 C ATOM 495 CG GLN A 31 -7.994 -3.012 -8.763 1.00 10.76 C ATOM 496 CD GLN A 31 -8.298 -1.729 -9.493 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.438 -1.265 -9.416 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.358 -1.154 -10.257 1.00 14.76 N ATOM 0 H GLN A 31 -4.882 -3.041 -6.395 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.351 -4.191 -6.336 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.550 -2.056 -7.528 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.867 -3.071 -8.783 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.007 -3.836 -9.476 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.786 -3.204 -8.039 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.422 -1.557 -10.304 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.579 -0.314 -10.791 1.00 14.76 H new ATOM 507 N ASP A 32 -5.348 -5.893 -8.397 1.00 10.93 N ATOM 508 CA ASP A 32 -5.248 -7.140 -9.186 1.00 14.01 C ATOM 509 C ASP A 32 -5.600 -8.382 -8.359 1.00 14.04 C ATOM 510 O ASP A 32 -6.289 -9.297 -8.804 1.00 13.39 O ATOM 511 CB ASP A 32 -3.762 -7.193 -9.668 1.00 18.01 C ATOM 512 CG ASP A 32 -3.655 -8.019 -10.970 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.346 -7.641 -11.990 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.981 -9.055 -10.957 1.00 25.17 O ATOM 0 H ASP A 32 -4.466 -5.388 -8.309 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.956 -7.139 -10.015 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.390 -6.182 -9.838 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.136 -7.637 -8.894 1.00 18.01 H new ATOM 519 N LYS A 33 -5.129 -8.437 -7.066 1.00 14.22 N ATOM 520 CA LYS A 33 -5.538 -9.499 -6.217 1.00 14.00 C ATOM 521 C LYS A 33 -6.962 -9.325 -5.665 1.00 12.37 C ATOM 522 O LYS A 33 -7.876 -10.133 -5.819 1.00 12.17 O ATOM 523 CB LYS A 33 -4.539 -9.505 -4.991 1.00 18.62 C ATOM 524 CG LYS A 33 -3.058 -9.584 -5.462 1.00 24.00 C ATOM 525 CD LYS A 33 -2.029 -10.248 -4.511 1.00 27.61 C ATOM 526 CE LYS A 33 -0.804 -10.749 -5.344 1.00 27.64 C ATOM 527 NZ LYS A 33 0.050 -11.681 -4.450 1.00 30.06 N ATOM 0 H LYS A 33 -4.491 -7.762 -6.646 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.531 -10.423 -6.795 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.685 -8.603 -4.397 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.762 -10.353 -4.343 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.036 -10.125 -6.408 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.718 -8.569 -5.667 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.702 -9.534 -3.755 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.490 -11.083 -3.983 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.143 -11.282 -6.232 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.208 -9.903 -5.688 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.852 -12.051 -5.000 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.408 -11.146 -3.633 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.535 -12.473 -4.116 1.00 30.06 H new ATOM 541 N GLU A 34 -7.212 -8.174 -5.040 1.00 10.11 N ATOM 542 CA GLU A 34 -8.334 -7.963 -4.113 1.00 10.07 C ATOM 543 C GLU A 34 -9.549 -7.207 -4.699 1.00 9.32 C ATOM 544 O GLU A 34 -10.607 -7.047 -4.044 1.00 11.61 O ATOM 545 CB GLU A 34 -7.842 -7.171 -2.870 1.00 14.77 C ATOM 546 CG GLU A 34 -6.669 -7.867 -2.075 1.00 18.75 C ATOM 547 CD GLU A 34 -7.045 -9.285 -1.580 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.971 -9.247 -0.696 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.484 -10.337 -1.896 1.00 25.19 O ATOM 0 H GLU A 34 -6.632 -7.344 -5.163 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.679 -8.967 -3.867 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.511 -6.184 -3.191 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.684 -7.021 -2.194 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.789 -7.931 -2.715 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.397 -7.248 -1.220 1.00 18.75 H new ATOM 556 N GLY A 35 -9.483 -6.691 -5.949 1.00 7.22 N ATOM 557 CA GLY A 35 -10.542 -6.020 -6.713 1.00 6.29 C ATOM 558 C GLY A 35 -10.853 -4.607 -6.369 1.00 6.93 C ATOM 559 O GLY A 35 -11.716 -3.933 -6.988 1.00 7.41 O ATOM 0 H GLY A 35 -8.616 -6.741 -6.485 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.269 -6.056 -7.768 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.457 -6.602 -6.600 1.00 6.29 H new ATOM 563 N ILE A 36 -10.094 -4.023 -5.414 1.00 5.86 N ATOM 564 CA ILE A 36 -10.370 -2.737 -4.770 1.00 6.07 C ATOM 565 C ILE A 36 -9.795 -1.488 -5.483 1.00 6.36 C ATOM 566 O ILE A 36 -8.586 -1.512 -5.738 1.00 6.18 O ATOM 567 CB ILE A 36 -9.804 -2.670 -3.326 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.262 -3.885 -2.490 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.257 -1.364 -2.628 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.419 -4.018 -1.259 1.00 9.49 C ATOM 0 H ILE A 36 -9.241 -4.459 -5.063 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.459 -2.703 -4.805 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.716 -2.685 -3.397 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.309 -3.769 -2.211 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.191 -4.794 -3.088 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.852 -1.333 -1.617 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.893 -0.505 -3.192 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.346 -1.334 -2.584 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.754 -4.879 -0.680 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.376 -4.157 -1.545 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.513 -3.116 -0.655 1.00 9.49 H new ATOM 582 N PRO A 37 -10.480 -0.378 -5.883 1.00 8.65 N ATOM 583 CA PRO A 37 -9.940 0.804 -6.591 1.00 9.18 C ATOM 584 C PRO A 37 -8.734 1.479 -5.927 1.00 9.85 C ATOM 585 O PRO A 37 -8.795 1.700 -4.698 1.00 8.51 O ATOM 586 CB PRO A 37 -11.110 1.709 -6.670 1.00 11.42 C ATOM 587 CG PRO A 37 -12.411 0.814 -6.707 1.00 9.27 C ATOM 588 CD PRO A 37 -11.962 -0.324 -5.831 1.00 8.33 C ATOM 0 HA PRO A 37 -9.525 0.520 -7.558 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.132 2.380 -5.811 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.050 2.333 -7.561 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.284 1.330 -6.307 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.666 0.489 -7.716 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.303 -0.175 -4.807 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.391 -1.265 -6.177 1.00 8.33 H new ATOM 596 N PRO A 38 -7.628 1.843 -6.577 1.00 8.71 N ATOM 597 CA PRO A 38 -6.534 2.608 -5.963 1.00 9.08 C ATOM 598 C PRO A 38 -6.979 3.793 -5.132 1.00 9.28 C ATOM 599 O PRO A 38 -6.336 4.123 -4.154 1.00 6.50 O ATOM 600 CB PRO A 38 -5.570 2.891 -7.099 1.00 10.31 C ATOM 601 CG PRO A 38 -5.675 1.606 -7.927 1.00 10.81 C ATOM 602 CD PRO A 38 -7.125 1.090 -7.716 1.00 12.00 C ATOM 0 HA PRO A 38 -6.026 2.042 -5.183 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.861 3.771 -7.672 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.555 3.065 -6.741 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.478 1.802 -8.981 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.944 0.867 -7.598 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.737 1.258 -8.602 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.138 0.018 -7.518 1.00 12.00 H new ATOM 610 N ASP A 39 -8.028 4.564 -5.556 1.00 11.20 N ATOM 611 CA ASP A 39 -8.531 5.806 -4.863 1.00 14.96 C ATOM 612 C ASP A 39 -9.335 5.472 -3.626 1.00 13.99 C ATOM 613 O ASP A 39 -9.489 6.339 -2.764 1.00 13.75 O ATOM 614 CB ASP A 39 -9.353 6.624 -5.837 1.00 24.16 C ATOM 615 CG ASP A 39 -9.618 8.049 -5.419 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.735 8.968 -5.206 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.858 8.348 -5.262 1.00 35.55 O ATOM 0 H ASP A 39 -8.558 4.342 -6.399 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.672 6.390 -4.533 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -8.841 6.634 -6.799 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.309 6.124 -5.990 1.00 24.16 H new ATOM 622 N GLN A 40 -9.747 4.150 -3.430 1.00 11.60 N ATOM 623 CA GLN A 40 -10.329 3.729 -2.165 1.00 10.76 C ATOM 624 C GLN A 40 -9.217 3.413 -1.155 1.00 8.01 C ATOM 625 O GLN A 40 -9.381 3.648 0.038 1.00 8.96 O ATOM 626 CB GLN A 40 -11.212 2.512 -2.372 1.00 11.14 C ATOM 627 CG GLN A 40 -12.292 2.293 -1.249 1.00 14.85 C ATOM 628 CD GLN A 40 -13.390 1.268 -1.527 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.636 0.300 -0.834 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.143 1.559 -2.605 1.00 18.16 N ATOM 0 H GLN A 40 -9.672 3.414 -4.132 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.942 4.540 -1.772 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.718 2.605 -3.333 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.580 1.626 -2.429 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.775 1.995 -0.337 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.769 3.252 -1.047 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.923 2.375 -3.176 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.934 0.963 -2.851 1.00 18.16 H new ATOM 639 N GLN A 41 -8.118 2.872 -1.585 1.00 6.52 N ATOM 640 CA GLN A 41 -6.982 2.489 -0.734 1.00 3.87 C ATOM 641 C GLN A 41 -6.146 3.604 -0.083 1.00 4.79 C ATOM 642 O GLN A 41 -5.732 4.554 -0.736 1.00 6.34 O ATOM 643 CB GLN A 41 -6.000 1.620 -1.580 1.00 4.20 C ATOM 644 CG GLN A 41 -6.708 0.359 -2.156 1.00 3.20 C ATOM 645 CD GLN A 41 -5.825 -0.433 -3.078 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.714 -0.720 -2.615 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.281 -0.800 -4.301 1.00 7.13 N ATOM 0 H GLN A 41 -7.961 2.669 -2.572 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.461 1.976 0.101 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.596 2.217 -2.397 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.157 1.314 -0.961 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.031 -0.278 -1.333 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.605 0.665 -2.694 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.214 -0.518 -4.603 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.691 -1.358 -4.919 1.00 7.13 H new ATOM 656 N ARG A 42 -5.878 3.445 1.229 1.00 5.73 N ATOM 657 CA ARG A 42 -4.879 4.216 1.911 1.00 6.97 C ATOM 658 C ARG A 42 -3.935 3.195 2.513 1.00 7.15 C ATOM 659 O ARG A 42 -4.354 2.114 2.920 1.00 7.33 O ATOM 660 CB ARG A 42 -5.523 5.218 2.888 1.00 13.23 C ATOM 661 CG ARG A 42 -6.621 6.098 2.191 1.00 21.27 C ATOM 662 CD ARG A 42 -6.933 7.383 2.979 1.00 26.14 C ATOM 663 NE ARG A 42 -8.027 8.008 2.134 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.619 9.159 2.412 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.258 9.915 3.428 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.620 9.464 1.625 1.00 36.39 N ATOM 0 H ARG A 42 -6.361 2.772 1.825 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.303 4.873 1.259 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.969 4.676 3.722 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.751 5.865 3.305 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.287 6.363 1.188 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.534 5.513 2.079 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.272 7.169 3.993 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.061 8.032 3.064 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.326 7.508 1.296 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.495 9.620 4.037 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.742 10.795 3.606 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.886 8.832 0.870 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.134 10.334 1.767 1.00 36.39 H new ATOM 680 N LEU A 43 -2.592 3.499 2.531 1.00 4.65 N ATOM 681 CA LEU A 43 -1.575 2.635 3.117 1.00 3.51 C ATOM 682 C LEU A 43 -0.883 3.280 4.284 1.00 5.56 C ATOM 683 O LEU A 43 -0.372 4.398 4.170 1.00 4.19 O ATOM 684 CB LEU A 43 -0.653 2.189 1.980 1.00 3.74 C ATOM 685 CG LEU A 43 -1.294 1.115 1.025 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.491 0.872 -0.208 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.565 -0.286 1.641 1.00 6.41 C ATOM 0 H LEU A 43 -2.213 4.358 2.132 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.019 1.746 3.565 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.370 3.062 1.391 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.263 1.781 2.407 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.251 1.589 0.806 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.987 0.122 -0.823 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.399 1.801 -0.771 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.501 0.516 0.068 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.007 -0.936 0.886 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.627 -0.718 1.988 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.252 -0.187 2.482 1.00 6.41 H new ATOM 699 N ILE A 44 -0.770 2.620 5.467 1.00 4.58 N ATOM 700 CA ILE A 44 -0.246 3.189 6.713 1.00 5.55 C ATOM 701 C ILE A 44 0.977 2.428 7.113 1.00 5.46 C ATOM 702 O ILE A 44 0.968 1.186 7.257 1.00 6.04 O ATOM 703 CB ILE A 44 -1.249 3.188 7.913 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.718 3.470 7.409 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.688 4.252 8.887 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.731 3.720 8.574 1.00 13.90 C ATOM 0 H ILE A 44 -1.054 1.646 5.571 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.035 4.236 6.497 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.330 2.227 8.420 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.709 4.339 6.751 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.060 2.623 6.814 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.333 4.319 9.763 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.317 3.967 9.197 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.653 5.220 8.387 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.722 3.908 8.161 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.767 2.842 9.219 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.411 4.585 9.155 1.00 13.90 H new ATOM 718 N PHE A 45 2.128 3.104 7.280 1.00 6.75 N ATOM 719 CA PHE A 45 3.268 2.480 7.863 1.00 4.70 C ATOM 720 C PHE A 45 4.024 3.375 8.756 1.00 6.34 C ATOM 721 O PHE A 45 4.369 4.494 8.431 1.00 5.45 O ATOM 722 CB PHE A 45 4.183 2.019 6.715 1.00 5.51 C ATOM 723 CG PHE A 45 5.496 1.443 7.082 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.612 0.351 7.886 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.663 1.953 6.437 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.853 -0.257 8.107 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.940 1.409 6.610 1.00 6.64 C ATOM 728 CZ PHE A 45 8.018 0.356 7.597 1.00 6.84 C ATOM 0 H PHE A 45 2.266 4.078 7.012 1.00 6.75 H new ATOM 0 HA PHE A 45 2.925 1.647 8.476 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.641 1.277 6.129 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.360 2.873 6.061 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.731 -0.053 8.362 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.554 2.804 5.781 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.919 -1.182 8.660 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.799 1.749 6.051 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.986 0.032 7.951 1.00 6.84 H new ATOM 738 N ALA A 46 4.359 2.835 9.939 1.00 6.53 N ATOM 739 CA ALA A 46 4.801 3.553 11.110 1.00 7.15 C ATOM 740 C ALA A 46 4.116 4.887 11.425 1.00 9.00 C ATOM 741 O ALA A 46 4.753 5.880 11.514 1.00 11.15 O ATOM 742 CB ALA A 46 6.334 3.659 11.093 1.00 8.99 C ATOM 0 H ALA A 46 4.321 1.828 10.096 1.00 6.53 H new ATOM 0 HA ALA A 46 4.467 2.949 11.954 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.671 4.201 11.977 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.768 2.659 11.093 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.652 4.192 10.197 1.00 8.99 H new ATOM 748 N GLY A 47 2.833 4.919 11.587 1.00 9.35 N ATOM 749 CA GLY A 47 2.040 6.129 11.982 1.00 11.68 C ATOM 750 C GLY A 47 1.960 7.179 10.942 1.00 11.14 C ATOM 751 O GLY A 47 1.447 8.232 11.292 1.00 13.93 O ATOM 0 H GLY A 47 2.249 4.093 11.453 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.029 5.816 12.242 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.482 6.559 12.881 1.00 11.68 H new ATOM 755 N LYS A 48 2.376 6.929 9.717 1.00 10.47 N ATOM 756 CA LYS A 48 2.291 7.837 8.588 1.00 8.82 C ATOM 757 C LYS A 48 1.496 7.157 7.501 1.00 7.68 C ATOM 758 O LYS A 48 1.732 6.002 7.204 1.00 6.47 O ATOM 759 CB LYS A 48 3.659 8.336 8.080 1.00 9.74 C ATOM 760 CG LYS A 48 4.416 9.147 9.138 1.00 14.14 C ATOM 761 CD LYS A 48 5.581 10.016 8.630 1.00 16.32 C ATOM 762 CE LYS A 48 6.627 9.368 7.699 1.00 20.04 C ATOM 763 NZ LYS A 48 7.682 10.382 7.410 1.00 23.92 N ATOM 0 H LYS A 48 2.806 6.038 9.468 1.00 10.47 H new ATOM 0 HA LYS A 48 1.786 8.745 8.916 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.265 7.482 7.779 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.511 8.951 7.192 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.703 9.795 9.646 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.806 8.455 9.884 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.154 10.871 8.106 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.108 10.407 9.500 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.064 8.488 8.172 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.158 9.033 6.774 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.400 9.967 6.783 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.252 11.208 6.946 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.130 10.680 8.300 1.00 23.92 H new ATOM 777 N GLN A 49 0.566 7.903 6.937 1.00 8.89 N ATOM 778 CA GLN A 49 -0.207 7.445 5.801 1.00 7.18 C ATOM 779 C GLN A 49 0.516 7.968 4.548 1.00 8.23 C ATOM 780 O GLN A 49 0.893 9.144 4.407 1.00 9.70 O ATOM 781 CB GLN A 49 -1.665 7.925 5.827 1.00 11.67 C ATOM 782 CG GLN A 49 -2.493 7.476 7.076 1.00 15.82 C ATOM 783 CD GLN A 49 -3.995 7.623 6.966 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.699 8.223 7.780 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.587 6.958 5.951 1.00 20.67 N ATOM 0 H GLN A 49 0.326 8.842 7.254 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.268 6.357 5.816 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.673 9.014 5.778 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.166 7.562 4.930 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.265 6.430 7.281 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.154 8.051 7.937 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.018 6.457 5.269 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.603 6.957 5.866 1.00 20.67 H new ATOM 794 N LEU A 50 0.775 7.058 3.584 1.00 6.51 N ATOM 795 CA LEU A 50 1.696 7.349 2.543 1.00 7.41 C ATOM 796 C LEU A 50 1.157 7.926 1.254 1.00 8.27 C ATOM 797 O LEU A 50 0.468 7.288 0.522 1.00 8.34 O ATOM 798 CB LEU A 50 2.455 5.979 2.226 1.00 7.13 C ATOM 799 CG LEU A 50 2.880 5.152 3.408 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.268 3.753 2.979 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.075 5.856 4.142 1.00 9.11 C ATOM 0 H LEU A 50 0.347 6.133 3.533 1.00 6.51 H new ATOM 0 HA LEU A 50 2.324 8.156 2.920 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.806 5.368 1.599 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.342 6.210 1.636 1.00 7.13 H new ATOM 0 HG LEU A 50 2.039 5.067 4.096 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.571 3.176 3.852 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.416 3.269 2.502 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.097 3.806 2.273 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.381 5.255 4.998 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.914 5.961 3.454 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.761 6.842 4.485 1.00 9.11 H new ATOM 813 N GLU A 51 1.583 9.175 0.883 1.00 9.43 N ATOM 814 CA GLU A 51 1.028 9.832 -0.274 1.00 11.90 C ATOM 815 C GLU A 51 1.189 9.044 -1.544 1.00 11.49 C ATOM 816 O GLU A 51 2.217 8.402 -1.799 1.00 9.88 O ATOM 817 CB GLU A 51 1.671 11.225 -0.468 1.00 16.56 C ATOM 818 CG GLU A 51 1.320 12.187 0.687 1.00 26.06 C ATOM 819 CD GLU A 51 2.045 13.476 0.466 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.187 13.412 0.002 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.538 14.516 0.935 1.00 33.44 O ATOM 0 H GLU A 51 2.296 9.711 1.378 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.040 9.925 -0.077 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.754 11.119 -0.536 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.333 11.653 -1.412 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.244 12.359 0.724 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.606 11.751 1.644 1.00 26.06 H new ATOM 828 N ASP A 52 0.206 9.139 -2.443 1.00 12.71 N ATOM 829 CA ASP A 52 -0.011 8.236 -3.614 1.00 16.56 C ATOM 830 C ASP A 52 1.175 8.152 -4.569 1.00 15.83 C ATOM 831 O ASP A 52 1.566 7.066 -4.928 1.00 17.21 O ATOM 832 CB ASP A 52 -1.241 8.618 -4.495 1.00 21.05 C ATOM 833 CG ASP A 52 -2.465 8.416 -3.673 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.851 7.254 -3.542 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.052 9.452 -3.171 1.00 25.82 O ATOM 0 H ASP A 52 -0.499 9.874 -2.387 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.174 7.277 -3.122 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.168 9.654 -4.825 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.276 8.000 -5.392 1.00 21.05 H new ATOM 840 N GLY A 53 1.671 9.342 -4.958 1.00 15.00 N ATOM 841 CA GLY A 53 2.646 9.478 -5.970 1.00 11.77 C ATOM 842 C GLY A 53 4.069 9.330 -5.473 1.00 11.10 C ATOM 843 O GLY A 53 5.043 9.401 -6.230 1.00 11.25 O ATOM 0 H GLY A 53 1.378 10.229 -4.549 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.461 8.731 -6.742 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.535 10.456 -6.439 1.00 11.77 H new ATOM 847 N ARG A 54 4.281 9.198 -4.169 1.00 8.53 N ATOM 848 CA ARG A 54 5.553 8.893 -3.541 1.00 9.05 C ATOM 849 C ARG A 54 6.049 7.492 -3.943 1.00 8.96 C ATOM 850 O ARG A 54 5.228 6.646 -4.314 1.00 11.60 O ATOM 851 CB ARG A 54 5.581 9.118 -2.023 1.00 7.97 C ATOM 852 CG ARG A 54 5.053 10.530 -1.656 1.00 9.62 C ATOM 853 CD ARG A 54 5.965 11.669 -2.107 1.00 12.20 C ATOM 854 NE ARG A 54 5.399 12.994 -1.685 1.00 18.23 N ATOM 855 CZ ARG A 54 6.102 14.110 -1.910 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.305 14.192 -2.503 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.517 15.274 -1.655 1.00 23.38 N ATOM 0 H ARG A 54 3.529 9.307 -3.489 1.00 8.53 H new ATOM 0 HA ARG A 54 6.261 9.624 -3.931 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.973 8.360 -1.529 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.600 9.000 -1.654 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.069 10.667 -2.104 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.922 10.589 -0.575 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.959 11.538 -1.679 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.079 11.644 -3.191 1.00 12.20 H new ATOM 0 HE ARG A 54 4.487 13.043 -1.231 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.770 13.346 -2.832 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.753 15.100 -2.624 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.561 15.297 -1.299 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.023 16.145 -1.815 1.00 23.38 H new ATOM 871 N THR A 55 7.354 7.239 -3.954 1.00 9.05 N ATOM 872 CA THR A 55 7.927 5.949 -4.113 1.00 9.03 C ATOM 873 C THR A 55 8.379 5.300 -2.830 1.00 8.15 C ATOM 874 O THR A 55 8.592 5.919 -1.822 1.00 5.91 O ATOM 875 CB THR A 55 9.081 5.889 -5.069 1.00 11.15 C ATOM 876 OG1 THR A 55 10.117 6.770 -4.688 1.00 11.95 O ATOM 877 CG2 THR A 55 8.685 6.271 -6.501 1.00 11.71 C ATOM 0 H THR A 55 8.053 7.974 -3.846 1.00 9.05 H new ATOM 0 HA THR A 55 7.084 5.395 -4.525 1.00 9.03 H new ATOM 0 HB THR A 55 9.415 4.852 -5.039 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.951 6.267 -4.580 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.559 6.210 -7.149 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.918 5.586 -6.861 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.296 7.289 -6.512 1.00 11.71 H new ATOM 885 N LEU A 56 8.480 3.976 -2.875 1.00 6.91 N ATOM 886 CA LEU A 56 8.809 3.177 -1.699 1.00 8.29 C ATOM 887 C LEU A 56 10.193 3.514 -1.218 1.00 8.05 C ATOM 888 O LEU A 56 10.457 3.576 -0.037 1.00 10.17 O ATOM 889 CB LEU A 56 8.720 1.627 -2.012 1.00 6.60 C ATOM 890 CG LEU A 56 7.309 1.045 -2.021 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.468 1.618 -3.193 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.297 -0.426 -2.271 1.00 8.64 C ATOM 0 H LEU A 56 8.337 3.428 -3.723 1.00 6.91 H new ATOM 0 HA LEU A 56 8.082 3.412 -0.921 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.178 1.442 -2.984 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.313 1.089 -1.272 1.00 6.60 H new ATOM 0 HG LEU A 56 6.908 1.297 -1.039 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.469 1.183 -3.171 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.395 2.701 -3.093 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.949 1.373 -4.140 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.269 -0.787 -2.267 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.751 -0.634 -3.240 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.863 -0.933 -1.489 1.00 8.64 H new ATOM 904 N SER A 57 11.028 3.734 -2.240 1.00 8.92 N ATOM 905 CA SER A 57 12.436 4.236 -2.081 1.00 9.00 C ATOM 906 C SER A 57 12.612 5.562 -1.414 1.00 9.44 C ATOM 907 O SER A 57 13.466 5.752 -0.513 1.00 10.91 O ATOM 908 CB SER A 57 13.104 4.288 -3.476 1.00 10.32 C ATOM 909 OG SER A 57 12.338 5.082 -4.414 1.00 13.59 O ATOM 0 H SER A 57 10.764 3.574 -3.212 1.00 8.92 H new ATOM 0 HA SER A 57 12.905 3.525 -1.401 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.107 4.704 -3.383 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.214 3.275 -3.863 1.00 10.32 H new ATOM 0 HG SER A 57 12.793 5.092 -5.282 1.00 13.59 H new ATOM 915 N ASP A 58 11.724 6.568 -1.724 1.00 9.11 N ATOM 916 CA ASP A 58 11.625 7.880 -1.026 1.00 7.91 C ATOM 917 C ASP A 58 11.053 7.753 0.398 1.00 9.12 C ATOM 918 O ASP A 58 11.482 8.413 1.381 1.00 8.61 O ATOM 919 CB ASP A 58 10.773 8.866 -1.919 1.00 8.41 C ATOM 920 CG ASP A 58 10.829 10.326 -1.489 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.955 10.900 -1.327 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.769 10.963 -1.319 1.00 11.70 O ATOM 0 H ASP A 58 11.049 6.477 -2.483 1.00 9.11 H new ATOM 0 HA ASP A 58 12.629 8.283 -0.896 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.120 8.792 -2.950 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.734 8.538 -1.908 1.00 8.41 H new ATOM 927 N TYR A 59 10.116 6.801 0.549 1.00 7.97 N ATOM 928 CA TYR A 59 9.460 6.662 1.857 1.00 8.45 C ATOM 929 C TYR A 59 10.214 5.587 2.696 1.00 10.98 C ATOM 930 O TYR A 59 9.859 5.378 3.857 1.00 12.95 O ATOM 931 CB TYR A 59 7.995 6.074 1.729 1.00 7.94 C ATOM 932 CG TYR A 59 6.953 7.163 1.850 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.993 7.891 3.027 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.872 7.360 0.912 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.037 8.913 3.228 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.948 8.368 1.155 1.00 6.52 C ATOM 937 CZ TYR A 59 5.029 9.145 2.301 1.00 6.76 C ATOM 938 OH TYR A 59 4.062 10.183 2.509 1.00 7.63 O ATOM 0 H TYR A 59 9.809 6.150 -0.174 1.00 7.97 H new ATOM 0 HA TYR A 59 9.455 7.657 2.302 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.886 5.569 0.769 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.833 5.325 2.504 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.741 7.682 3.778 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.784 6.734 0.036 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.091 9.524 4.117 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.157 8.549 0.443 1.00 6.52 H new ATOM 0 HH TYR A 59 3.998 10.737 1.703 1.00 7.63 H new ATOM 948 N ASN A 60 11.331 5.034 2.153 1.00 12.38 N ATOM 949 CA ASN A 60 12.238 4.060 2.817 1.00 13.94 C ATOM 950 C ASN A 60 11.558 2.791 3.275 1.00 14.16 C ATOM 951 O ASN A 60 11.668 2.401 4.399 1.00 14.26 O ATOM 952 CB ASN A 60 12.989 4.766 4.011 1.00 19.23 C ATOM 953 CG ASN A 60 14.164 4.088 4.649 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.972 3.530 3.906 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.391 4.320 5.979 1.00 24.09 N ATOM 0 H ASN A 60 11.635 5.263 1.207 1.00 12.38 H new ATOM 0 HA ASN A 60 12.956 3.737 2.063 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.328 5.739 3.654 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.254 4.952 4.794 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.269 4.025 6.405 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.682 4.788 6.543 1.00 24.09 H new ATOM 962 N ILE A 61 10.843 2.141 2.303 1.00 11.08 N ATOM 963 CA ILE A 61 10.120 0.840 2.523 1.00 11.78 C ATOM 964 C ILE A 61 10.957 -0.219 1.763 1.00 13.74 C ATOM 965 O ILE A 61 11.253 -0.118 0.544 1.00 14.60 O ATOM 966 CB ILE A 61 8.664 0.826 2.030 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.784 1.915 2.835 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.100 -0.618 2.256 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.527 2.275 2.153 1.00 11.42 C ATOM 0 H ILE A 61 10.751 2.499 1.352 1.00 11.08 H new ATOM 0 HA ILE A 61 10.038 0.648 3.593 1.00 11.78 H new ATOM 0 HB ILE A 61 8.618 1.088 0.973 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.552 1.523 3.825 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.380 2.816 2.981 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.065 -0.662 1.916 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.698 -1.334 1.693 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.144 -0.864 3.317 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.987 3.010 2.750 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.752 2.697 1.174 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.911 1.384 2.031 1.00 11.42 H new ATOM 981 N GLN A 62 11.355 -1.281 2.522 1.00 13.97 N ATOM 982 CA GLN A 62 12.391 -2.243 2.208 1.00 15.52 C ATOM 983 C GLN A 62 11.732 -3.610 1.888 1.00 13.94 C ATOM 984 O GLN A 62 10.495 -3.753 1.893 1.00 12.15 O ATOM 985 CB GLN A 62 13.319 -2.371 3.382 1.00 19.53 C ATOM 986 CG GLN A 62 14.019 -0.987 3.628 1.00 26.38 C ATOM 987 CD GLN A 62 15.057 -0.973 4.743 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.189 -0.565 4.585 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.513 -1.177 5.988 1.00 32.71 N ATOM 0 H GLN A 62 10.917 -1.478 3.422 1.00 13.97 H new ATOM 0 HA GLN A 62 12.963 -1.912 1.341 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.765 -2.676 4.269 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.065 -3.142 3.191 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.500 -0.672 2.702 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.253 -0.246 3.858 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.557 -1.521 6.077 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.065 -0.984 6.824 1.00 32.71 H new ATOM 998 N LYS A 63 12.479 -4.597 1.428 1.00 11.73 N ATOM 999 CA LYS A 63 11.975 -5.955 1.156 1.00 11.97 C ATOM 1000 C LYS A 63 11.435 -6.614 2.441 1.00 10.41 C ATOM 1001 O LYS A 63 12.010 -6.529 3.538 1.00 9.59 O ATOM 1002 CB LYS A 63 13.070 -6.819 0.468 1.00 13.73 C ATOM 1003 CG LYS A 63 14.304 -7.138 1.306 1.00 16.98 C ATOM 1004 CD LYS A 63 15.647 -7.488 0.630 1.00 20.19 C ATOM 1005 CE LYS A 63 15.564 -8.807 -0.122 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.891 -9.187 -0.700 1.00 25.97 N ATOM 0 H LYS A 63 13.473 -4.488 1.225 1.00 11.73 H new ATOM 0 HA LYS A 63 11.137 -5.881 0.463 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.617 -7.759 0.154 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.394 -6.304 -0.436 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.484 -6.278 1.951 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.044 -7.975 1.955 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.927 -6.692 -0.060 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.431 -7.547 1.385 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.220 -9.592 0.552 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.826 -8.727 -0.921 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.803 -10.091 -1.207 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.206 -8.449 -1.361 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.588 -9.286 0.066 1.00 25.97 H new ATOM 1020 N GLU A 64 10.291 -7.333 2.372 1.00 10.04 N ATOM 1021 CA GLU A 64 9.629 -8.072 3.496 1.00 10.94 C ATOM 1022 C GLU A 64 9.193 -7.142 4.608 1.00 9.74 C ATOM 1023 O GLU A 64 9.501 -7.342 5.793 1.00 9.42 O ATOM 1024 CB GLU A 64 10.376 -9.343 3.978 1.00 18.31 C ATOM 1025 CG GLU A 64 10.367 -10.510 2.935 1.00 24.16 C ATOM 1026 CD GLU A 64 10.871 -11.823 3.413 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.018 -11.887 3.903 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.117 -12.829 3.253 1.00 32.61 O ATOM 0 H GLU A 64 9.774 -7.424 1.498 1.00 10.04 H new ATOM 0 HA GLU A 64 8.715 -8.486 3.071 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.409 -9.081 4.209 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.921 -9.692 4.905 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.345 -10.644 2.580 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.965 -10.206 2.076 1.00 24.16 H new ATOM 1035 N SER A 65 8.496 -6.050 4.265 1.00 6.85 N ATOM 1036 CA SER A 65 8.088 -5.049 5.161 1.00 6.90 C ATOM 1037 C SER A 65 6.571 -4.926 5.068 1.00 4.72 C ATOM 1038 O SER A 65 5.996 -5.146 4.034 1.00 3.91 O ATOM 1039 CB SER A 65 8.728 -3.625 4.844 1.00 7.28 C ATOM 1040 OG SER A 65 8.494 -2.658 5.855 1.00 10.56 O ATOM 0 H SER A 65 8.206 -5.866 3.304 1.00 6.85 H new ATOM 0 HA SER A 65 8.423 -5.339 6.157 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.803 -3.742 4.707 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.325 -3.257 3.901 1.00 7.28 H new ATOM 0 HG SER A 65 8.913 -1.810 5.600 1.00 10.56 H new ATOM 1046 N THR A 66 5.974 -4.657 6.244 1.00 4.48 N ATOM 1047 CA THR A 66 4.586 -4.946 6.516 1.00 3.80 C ATOM 1048 C THR A 66 3.924 -3.593 6.608 1.00 4.60 C ATOM 1049 O THR A 66 4.220 -2.776 7.466 1.00 5.33 O ATOM 1050 CB THR A 66 4.288 -5.828 7.758 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.936 -7.116 7.682 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.825 -6.058 7.847 1.00 3.40 C ATOM 0 H THR A 66 6.462 -4.228 7.030 1.00 4.48 H new ATOM 0 HA THR A 66 4.193 -5.574 5.717 1.00 3.80 H new ATOM 0 HB THR A 66 4.669 -5.300 8.632 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.723 -7.637 8.484 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.606 -6.677 8.717 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.312 -5.101 7.944 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.481 -6.565 6.945 1.00 3.40 H new ATOM 1060 N LEU A 67 2.931 -3.371 5.678 1.00 4.17 N ATOM 1061 CA LEU A 67 2.166 -2.105 5.668 1.00 3.85 C ATOM 1062 C LEU A 67 0.802 -2.493 6.105 1.00 3.80 C ATOM 1063 O LEU A 67 0.417 -3.643 5.927 1.00 5.54 O ATOM 1064 CB LEU A 67 2.121 -1.475 4.282 1.00 7.18 C ATOM 1065 CG LEU A 67 3.447 -1.475 3.421 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.114 -1.037 1.993 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.554 -0.702 4.109 1.00 11.66 C ATOM 0 H LEU A 67 2.661 -4.038 4.955 1.00 4.17 H new ATOM 0 HA LEU A 67 2.625 -1.357 6.315 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.350 -1.988 3.707 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.798 -0.440 4.396 1.00 7.18 H new ATOM 0 HG LEU A 67 3.859 -2.481 3.338 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.023 -1.034 1.392 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.394 -1.730 1.558 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.687 -0.034 2.010 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.451 -0.722 3.490 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.239 0.331 4.257 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.770 -1.158 5.075 1.00 11.66 H new ATOM 1079 N HIS A 68 0.022 -1.534 6.544 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.384 -1.706 6.845 1.00 4.17 C ATOM 1081 C HIS A 68 -2.324 -1.074 5.769 1.00 5.32 C ATOM 1082 O HIS A 68 -2.195 0.120 5.491 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.799 -1.189 8.288 1.00 5.57 C ATOM 1084 CG HIS A 68 -3.053 -1.862 8.784 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -4.285 -1.792 8.195 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.220 -2.635 9.865 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -5.120 -2.435 9.028 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.518 -3.026 10.013 1.00 16.30 N ATOM 0 H HIS A 68 0.355 -0.584 6.707 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.521 -2.787 6.830 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.985 -1.375 8.989 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.953 -0.110 8.257 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -4.521 -1.345 7.309 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.423 -2.915 10.538 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -6.191 -2.458 8.890 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.270 -1.819 5.167 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.304 -1.234 4.297 1.00 3.97 C ATOM 1098 C LEU A 69 -5.436 -0.775 5.093 1.00 5.07 C ATOM 1099 O LEU A 69 -5.955 -1.466 5.978 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.816 -2.377 3.421 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.764 -1.944 2.290 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.113 -0.971 1.253 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.398 -3.141 1.560 1.00 9.96 C ATOM 0 H LEU A 69 -3.338 -2.832 5.269 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.892 -0.399 3.730 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.961 -2.892 2.983 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.333 -3.098 4.054 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.551 -1.389 2.800 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.845 -0.712 0.488 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.784 -0.065 1.761 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.256 -1.457 0.786 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.058 -2.779 0.772 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.613 -3.757 1.121 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.973 -3.737 2.269 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.864 0.470 4.827 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.213 0.931 5.189 1.00 6.26 C ATOM 1117 C VAL A 70 -7.973 1.504 4.057 1.00 9.22 C ATOM 1118 O VAL A 70 -7.403 2.041 3.056 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.301 1.859 6.400 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.673 1.291 7.669 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.624 3.273 6.174 1.00 8.54 C ATOM 0 H VAL A 70 -5.293 1.176 4.362 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.687 -0.003 5.489 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.379 1.963 6.524 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.778 2.011 8.481 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.176 0.363 7.940 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.616 1.093 7.494 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.727 3.874 7.077 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.566 3.138 5.947 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.112 3.781 5.342 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.292 1.285 4.003 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.088 1.670 2.835 1.00 16.06 C ATOM 1133 C LEU A 71 -11.017 2.758 3.226 1.00 18.09 C ATOM 1134 O LEU A 71 -11.734 2.679 4.236 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.980 0.471 2.288 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.223 -0.834 1.862 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.236 -1.814 1.343 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.137 -0.546 0.872 1.00 19.57 C ATOM 0 H LEU A 71 -9.827 0.845 4.752 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.389 1.977 2.057 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.705 0.208 3.058 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.545 0.832 1.429 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.717 -1.270 2.723 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.732 -2.732 1.040 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.959 -2.039 2.127 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.753 -1.383 0.485 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.636 -1.475 0.601 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.569 -0.093 -0.021 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.415 0.141 1.314 1.00 19.57 H new