USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 60 ASN : amide:sc= 0.575 K(o=1.6,f=-1.5!) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.03 K(o=1.6,f=-0.35) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0969 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0963 X(o=0.19,f=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.46 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.00809) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.24 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.742) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= 1.3 (180deg=0.261) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.257 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0808 F(o=-0.85,f=-0.081) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 41 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0527) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.408 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.441 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.32 (180deg=0.972) USER MOD Single : A 65 SER OG : rot 96:sc= 0.851 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.129 4.394 -4.656 1.00 9.67 N ATOM 2 CA MET A 1 -12.028 4.369 -3.180 1.00 10.38 C ATOM 3 C MET A 1 -10.670 4.817 -2.761 1.00 9.62 C ATOM 4 O MET A 1 -9.659 4.391 -3.318 1.00 9.62 O ATOM 5 CB MET A 1 -12.186 2.880 -2.826 1.00 13.77 C ATOM 6 CG MET A 1 -12.338 2.582 -1.333 1.00 16.29 C ATOM 7 SD MET A 1 -12.547 0.785 -1.151 1.00 17.17 S ATOM 8 CE MET A 1 -10.795 0.510 -0.761 1.00 16.11 C ATOM 0 H1 MET A 1 -12.983 3.880 -4.954 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.186 5.379 -4.983 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.290 3.940 -5.069 1.00 9.67 H new ATOM 0 HA MET A 1 -12.762 5.014 -2.698 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.058 2.488 -3.350 1.00 13.77 H new ATOM 0 HB3 MET A 1 -11.318 2.339 -3.203 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.461 2.923 -0.783 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.198 3.111 -0.922 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.588 -0.560 -0.751 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.174 0.992 -1.516 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.570 0.933 0.218 1.00 16.11 H new ATOM 20 N GLN A 2 -10.544 5.813 -1.867 1.00 9.27 N ATOM 21 CA GLN A 2 -9.282 6.327 -1.432 1.00 9.07 C ATOM 22 C GLN A 2 -8.654 5.569 -0.314 1.00 8.72 C ATOM 23 O GLN A 2 -9.328 5.379 0.698 1.00 8.22 O ATOM 24 CB GLN A 2 -9.314 7.811 -1.028 1.00 14.46 C ATOM 25 CG GLN A 2 -10.142 8.592 -2.050 1.00 17.01 C ATOM 26 CD GLN A 2 -9.942 10.073 -1.758 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.946 10.686 -2.140 1.00 21.89 O ATOM 28 NE2 GLN A 2 -10.908 10.717 -1.050 1.00 19.49 N ATOM 0 H GLN A 2 -11.343 6.275 -1.433 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.674 6.205 -2.328 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.745 7.920 -0.033 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.301 8.210 -0.982 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.824 8.354 -3.065 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.196 8.325 -1.976 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.733 10.208 -0.734 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -10.807 11.709 -0.835 1.00 19.49 H new ATOM 37 N ILE A 3 -7.412 5.056 -0.355 1.00 5.87 N ATOM 38 CA ILE A 3 -6.746 4.569 0.813 1.00 5.07 C ATOM 39 C ILE A 3 -5.602 5.503 1.004 1.00 4.01 C ATOM 40 O ILE A 3 -5.068 6.103 0.073 1.00 4.61 O ATOM 41 CB ILE A 3 -6.515 3.093 0.674 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.806 2.741 -0.644 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.877 2.411 0.887 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.066 1.417 -0.457 1.00 10.83 C ATOM 0 H ILE A 3 -6.862 4.978 -1.210 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.296 4.588 1.754 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.820 2.719 1.426 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.531 2.659 -1.454 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.107 3.530 -0.921 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.761 1.331 0.795 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.253 2.653 1.881 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.583 2.765 0.136 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.556 1.151 -1.383 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.334 1.520 0.344 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.780 0.635 -0.198 1.00 10.83 H new ATOM 56 N PHE A 4 -5.071 5.370 2.233 1.00 4.55 N ATOM 57 CA PHE A 4 -3.803 5.958 2.533 1.00 4.68 C ATOM 58 C PHE A 4 -2.724 4.935 2.633 1.00 5.30 C ATOM 59 O PHE A 4 -2.901 3.964 3.367 1.00 5.58 O ATOM 60 CB PHE A 4 -3.884 6.848 3.785 1.00 4.83 C ATOM 61 CG PHE A 4 -4.957 7.881 3.816 1.00 7.97 C ATOM 62 CD1 PHE A 4 -4.906 8.867 2.859 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.020 7.761 4.680 1.00 6.69 C ATOM 64 CE1 PHE A 4 -5.893 9.824 2.873 1.00 10.61 C ATOM 65 CE2 PHE A 4 -6.943 8.780 4.686 1.00 9.10 C ATOM 66 CZ PHE A 4 -6.935 9.806 3.770 1.00 8.90 C ATOM 0 H PHE A 4 -5.509 4.866 3.004 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.535 6.604 1.697 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.013 6.201 4.652 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.925 7.353 3.904 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.117 8.889 2.121 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.125 6.902 5.327 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -5.848 10.624 2.149 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -7.711 8.775 5.446 1.00 9.10 H new ATOM 0 HZ PHE A 4 -7.708 10.560 3.756 1.00 8.90 H new ATOM 76 N VAL A 5 -1.547 5.260 2.069 1.00 4.44 N ATOM 77 CA VAL A 5 -0.284 4.611 2.235 1.00 3.87 C ATOM 78 C VAL A 5 0.622 5.634 2.828 1.00 4.93 C ATOM 79 O VAL A 5 1.197 6.541 2.229 1.00 6.84 O ATOM 80 CB VAL A 5 0.234 3.898 1.021 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.625 3.281 1.244 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.799 2.825 0.637 1.00 9.13 C ATOM 0 H VAL A 5 -1.476 6.056 1.435 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.374 3.760 2.910 1.00 3.87 H new ATOM 0 HB VAL A 5 0.363 4.615 0.210 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.950 2.778 0.333 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.336 4.068 1.498 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.576 2.559 2.059 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.453 2.286 -0.245 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.922 2.126 1.464 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.755 3.302 0.419 1.00 9.13 H new ATOM 92 N LYS A 6 0.854 5.485 4.144 1.00 6.04 N ATOM 93 CA LYS A 6 1.704 6.354 4.898 1.00 6.12 C ATOM 94 C LYS A 6 3.118 5.883 4.865 1.00 6.57 C ATOM 95 O LYS A 6 3.309 4.679 5.027 1.00 5.76 O ATOM 96 CB LYS A 6 1.201 6.450 6.348 1.00 7.45 C ATOM 97 CG LYS A 6 1.712 7.784 6.897 1.00 11.12 C ATOM 98 CD LYS A 6 1.498 7.842 8.411 1.00 14.54 C ATOM 99 CE LYS A 6 2.343 8.885 9.145 1.00 18.84 C ATOM 100 NZ LYS A 6 1.667 10.200 9.080 1.00 20.55 N ATOM 0 H LYS A 6 0.438 4.738 4.700 1.00 6.04 H new ATOM 0 HA LYS A 6 1.673 7.345 4.445 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.112 6.407 6.385 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.574 5.617 6.944 1.00 7.45 H new ATOM 0 HG2 LYS A 6 2.771 7.900 6.666 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.188 8.610 6.415 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.445 8.047 8.606 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.715 6.860 8.831 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.485 8.588 10.184 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.333 8.950 8.694 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.240 10.910 9.579 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.553 10.483 8.086 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.732 10.132 9.530 1.00 20.55 H new ATOM 114 N THR A 7 4.171 6.692 4.653 1.00 7.41 N ATOM 115 CA THR A 7 5.530 6.282 4.828 1.00 7.48 C ATOM 116 C THR A 7 6.009 6.319 6.239 1.00 8.75 C ATOM 117 O THR A 7 5.145 6.479 7.100 1.00 8.58 O ATOM 118 CB THR A 7 6.447 6.970 3.861 1.00 9.61 C ATOM 119 OG1 THR A 7 6.476 8.390 3.874 1.00 11.78 O ATOM 120 CG2 THR A 7 5.971 6.656 2.433 1.00 9.17 C ATOM 0 H THR A 7 4.074 7.661 4.351 1.00 7.41 H new ATOM 0 HA THR A 7 5.554 5.221 4.581 1.00 7.48 H new ATOM 0 HB THR A 7 7.429 6.603 4.161 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.112 8.710 3.201 1.00 11.78 H new ATOM 0 HG21 THR A 7 6.626 7.148 1.715 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.997 5.579 2.269 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.951 7.018 2.301 1.00 9.17 H new ATOM 128 N LEU A 8 7.318 6.140 6.487 1.00 9.84 N ATOM 129 CA LEU A 8 7.816 5.988 7.819 1.00 14.15 C ATOM 130 C LEU A 8 8.421 7.238 8.358 1.00 17.37 C ATOM 131 O LEU A 8 8.293 7.628 9.517 1.00 17.01 O ATOM 132 CB LEU A 8 8.940 4.938 7.849 1.00 16.63 C ATOM 133 CG LEU A 8 9.509 4.354 9.153 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.488 3.397 9.790 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.745 3.487 8.861 1.00 19.31 C ATOM 0 H LEU A 8 8.035 6.100 5.762 1.00 9.84 H new ATOM 0 HA LEU A 8 6.954 5.701 8.421 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.588 4.092 7.259 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.783 5.372 7.311 1.00 16.63 H new ATOM 0 HG LEU A 8 9.749 5.195 9.803 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.899 2.988 10.713 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.569 3.940 10.011 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.271 2.583 9.098 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.134 3.082 9.795 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.466 2.668 8.198 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.512 4.096 8.382 1.00 19.31 H new ATOM 147 N THR A 9 8.947 8.098 7.467 1.00 18.33 N ATOM 148 CA THR A 9 9.230 9.487 7.656 1.00 19.24 C ATOM 149 C THR A 9 7.927 10.202 7.761 1.00 19.48 C ATOM 150 O THR A 9 7.749 11.125 8.554 1.00 23.14 O ATOM 151 CB THR A 9 9.955 10.145 6.520 1.00 18.97 C ATOM 152 OG1 THR A 9 9.424 9.786 5.253 1.00 20.24 O ATOM 153 CG2 THR A 9 11.454 9.829 6.661 1.00 19.70 C ATOM 0 H THR A 9 9.197 7.790 6.527 1.00 18.33 H new ATOM 0 HA THR A 9 9.865 9.544 8.540 1.00 19.24 H new ATOM 0 HB THR A 9 9.814 11.225 6.572 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.928 10.241 4.546 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.003 10.298 5.844 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.819 10.215 7.613 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.603 8.750 6.626 1.00 19.70 H new ATOM 161 N GLY A 10 6.916 9.875 6.937 1.00 19.43 N ATOM 162 CA GLY A 10 5.597 10.413 7.062 1.00 18.74 C ATOM 163 C GLY A 10 5.168 11.350 5.986 1.00 17.62 C ATOM 164 O GLY A 10 5.047 12.554 6.207 1.00 19.74 O ATOM 0 H GLY A 10 7.018 9.219 6.163 1.00 19.43 H new ATOM 0 HA2 GLY A 10 4.890 9.584 7.097 1.00 18.74 H new ATOM 0 HA3 GLY A 10 5.527 10.933 8.018 1.00 18.74 H new ATOM 168 N LYS A 11 4.913 10.779 4.795 1.00 13.56 N ATOM 169 CA LYS A 11 4.132 11.388 3.763 1.00 11.91 C ATOM 170 C LYS A 11 3.010 10.482 3.389 1.00 10.18 C ATOM 171 O LYS A 11 3.286 9.286 3.304 1.00 9.10 O ATOM 172 CB LYS A 11 5.058 11.689 2.573 1.00 13.43 C ATOM 173 CG LYS A 11 4.436 12.626 1.536 1.00 16.69 C ATOM 174 CD LYS A 11 5.255 12.775 0.253 1.00 17.92 C ATOM 175 CE LYS A 11 5.248 11.465 -0.538 1.00 20.81 C ATOM 176 NZ LYS A 11 6.138 11.629 -1.708 1.00 21.93 N ATOM 0 H LYS A 11 5.265 9.856 4.541 1.00 13.56 H new ATOM 0 HA LYS A 11 3.690 12.325 4.102 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.981 12.133 2.945 1.00 13.43 H new ATOM 0 HB3 LYS A 11 5.329 10.751 2.087 1.00 13.43 H new ATOM 0 HG2 LYS A 11 3.443 12.257 1.279 1.00 16.69 H new ATOM 0 HG3 LYS A 11 4.304 13.610 1.985 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.843 13.578 -0.358 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.280 13.054 0.498 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.590 10.641 0.088 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.236 11.221 -0.861 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.447 10.694 -2.043 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.624 12.117 -2.469 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.969 12.192 -1.436 1.00 21.93 H new ATOM 190 N THR A 12 1.795 11.047 3.280 1.00 9.63 N ATOM 191 CA THR A 12 0.574 10.317 3.132 1.00 9.85 C ATOM 192 C THR A 12 0.253 10.182 1.683 1.00 11.66 C ATOM 193 O THR A 12 -0.176 11.087 0.969 1.00 12.33 O ATOM 194 CB THR A 12 -0.641 10.839 3.841 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.394 10.884 5.239 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.862 9.937 3.594 1.00 9.63 C ATOM 0 H THR A 12 1.657 12.058 3.296 1.00 9.63 H new ATOM 0 HA THR A 12 0.786 9.367 3.622 1.00 9.85 H new ATOM 0 HB THR A 12 -0.851 11.836 3.453 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.188 11.227 5.701 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.726 10.342 4.121 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.075 9.897 2.526 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.652 8.932 3.960 1.00 9.63 H new ATOM 204 N ILE A 13 0.455 8.985 1.104 1.00 10.42 N ATOM 205 CA ILE A 13 0.154 8.756 -0.275 1.00 11.84 C ATOM 206 C ILE A 13 -1.206 8.165 -0.415 1.00 10.55 C ATOM 207 O ILE A 13 -1.697 7.189 0.150 1.00 11.92 O ATOM 208 CB ILE A 13 1.216 7.880 -0.869 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.598 8.553 -0.933 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.824 7.470 -2.299 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.704 7.732 -0.273 1.00 16.46 C ATOM 0 H ILE A 13 0.829 8.172 1.594 1.00 10.42 H new ATOM 0 HA ILE A 13 0.147 9.700 -0.820 1.00 11.84 H new ATOM 0 HB ILE A 13 1.290 7.015 -0.210 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.860 8.729 -1.976 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.542 9.528 -0.449 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.602 6.834 -2.721 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.119 6.923 -2.275 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.710 8.362 -2.915 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.651 8.265 -0.355 1.00 16.46 H new ATOM 0 HD12 ILE A 13 3.464 7.578 0.779 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.787 6.766 -0.772 1.00 16.46 H new ATOM 223 N THR A 14 -2.040 8.940 -1.131 1.00 9.39 N ATOM 224 CA THR A 14 -3.421 8.609 -1.301 1.00 9.63 C ATOM 225 C THR A 14 -3.689 7.915 -2.592 1.00 11.20 C ATOM 226 O THR A 14 -3.759 8.559 -3.637 1.00 11.63 O ATOM 227 CB THR A 14 -4.371 9.765 -1.187 1.00 10.38 C ATOM 228 OG1 THR A 14 -3.979 10.793 -0.289 1.00 16.30 O ATOM 229 CG2 THR A 14 -5.792 9.310 -0.814 1.00 11.66 C ATOM 0 H THR A 14 -1.755 9.802 -1.595 1.00 9.39 H new ATOM 0 HA THR A 14 -3.612 7.940 -0.462 1.00 9.63 H new ATOM 0 HB THR A 14 -4.352 10.194 -2.189 1.00 10.38 H new ATOM 0 HG1 THR A 14 -4.658 11.500 -0.285 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.445 10.179 -0.742 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.170 8.634 -1.581 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.769 8.794 0.146 1.00 11.66 H new ATOM 237 N LEU A 15 -3.883 6.584 -2.625 1.00 8.29 N ATOM 238 CA LEU A 15 -4.142 5.831 -3.812 1.00 9.03 C ATOM 239 C LEU A 15 -5.607 5.738 -4.066 1.00 8.59 C ATOM 240 O LEU A 15 -6.425 5.406 -3.210 1.00 7.79 O ATOM 241 CB LEU A 15 -3.615 4.386 -3.804 1.00 11.08 C ATOM 242 CG LEU A 15 -2.095 4.152 -3.778 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.332 5.265 -4.517 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.658 4.120 -2.304 1.00 15.88 C ATOM 0 H LEU A 15 -3.858 6.007 -1.784 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.608 6.383 -4.585 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.041 3.884 -2.935 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.011 3.885 -4.688 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.867 3.214 -4.284 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.262 5.062 -4.475 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.655 5.298 -5.558 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.538 6.224 -4.042 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.582 3.955 -2.247 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.905 5.070 -1.830 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.177 3.312 -1.788 1.00 15.88 H new ATOM 256 N GLU A 16 -5.993 6.075 -5.310 1.00 11.04 N ATOM 257 CA GLU A 16 -7.369 5.969 -5.682 1.00 11.50 C ATOM 258 C GLU A 16 -7.518 4.674 -6.404 1.00 10.13 C ATOM 259 O GLU A 16 -7.259 4.448 -7.585 1.00 9.83 O ATOM 260 CB GLU A 16 -7.800 7.121 -6.606 1.00 17.22 C ATOM 261 CG GLU A 16 -7.745 8.477 -5.898 1.00 23.33 C ATOM 262 CD GLU A 16 -7.646 9.639 -6.876 1.00 26.99 C ATOM 263 OE1 GLU A 16 -6.577 9.856 -7.507 1.00 28.86 O ATOM 264 OE2 GLU A 16 -8.670 10.323 -7.143 1.00 28.90 O ATOM 0 H GLU A 16 -5.369 6.413 -6.043 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.997 6.019 -4.793 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.153 7.144 -7.483 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.814 6.939 -6.963 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.636 8.599 -5.282 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -6.888 8.498 -5.225 1.00 23.33 H new ATOM 271 N VAL A 17 -7.860 3.625 -5.635 1.00 8.99 N ATOM 272 CA VAL A 17 -7.974 2.233 -5.944 1.00 8.85 C ATOM 273 C VAL A 17 -9.408 1.859 -6.096 1.00 8.04 C ATOM 274 O VAL A 17 -10.294 2.663 -5.810 1.00 8.99 O ATOM 275 CB VAL A 17 -7.379 1.367 -4.873 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.851 1.532 -4.927 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.874 1.716 -3.459 1.00 10.54 C ATOM 0 H VAL A 17 -8.089 3.783 -4.654 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.428 2.070 -6.873 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.689 0.340 -5.065 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.391 0.912 -4.157 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.486 1.224 -5.907 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.592 2.577 -4.755 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.404 1.051 -2.734 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.613 2.749 -3.227 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.956 1.596 -3.412 1.00 10.54 H new ATOM 287 N GLU A 18 -9.675 0.606 -6.505 1.00 7.29 N ATOM 288 CA GLU A 18 -10.966 0.007 -6.365 1.00 7.08 C ATOM 289 C GLU A 18 -10.778 -1.128 -5.419 1.00 6.45 C ATOM 290 O GLU A 18 -9.671 -1.653 -5.525 1.00 5.28 O ATOM 291 CB GLU A 18 -11.288 -0.718 -7.682 1.00 10.28 C ATOM 292 CG GLU A 18 -11.309 0.283 -8.840 1.00 12.65 C ATOM 293 CD GLU A 18 -12.376 1.354 -8.666 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.592 1.129 -8.426 1.00 14.33 O ATOM 295 OE2 GLU A 18 -11.953 2.525 -8.860 1.00 18.17 O ATOM 0 H GLU A 18 -8.982 -0.002 -6.941 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.711 0.748 -6.075 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.544 -1.491 -7.872 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.254 -1.218 -7.605 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -10.332 0.759 -8.923 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.484 -0.251 -9.774 1.00 12.65 H new ATOM 302 N PRO A 19 -11.651 -1.449 -4.510 1.00 7.24 N ATOM 303 CA PRO A 19 -11.470 -2.531 -3.586 1.00 7.07 C ATOM 304 C PRO A 19 -11.213 -3.908 -4.096 1.00 6.65 C ATOM 305 O PRO A 19 -10.773 -4.842 -3.428 1.00 6.37 O ATOM 306 CB PRO A 19 -12.819 -2.594 -2.874 1.00 7.61 C ATOM 307 CG PRO A 19 -13.878 -2.025 -3.831 1.00 8.16 C ATOM 308 CD PRO A 19 -12.991 -0.897 -4.382 1.00 7.49 C ATOM 0 HA PRO A 19 -10.564 -2.303 -3.024 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.061 -3.622 -2.603 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.791 -2.018 -1.949 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.203 -2.734 -4.592 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.775 -1.667 -3.325 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.361 -0.549 -5.347 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.994 -0.038 -3.711 1.00 7.49 H new ATOM 316 N SER A 20 -11.506 -4.087 -5.396 1.00 6.80 N ATOM 317 CA SER A 20 -11.268 -5.277 -6.152 1.00 6.28 C ATOM 318 C SER A 20 -9.861 -5.356 -6.637 1.00 8.45 C ATOM 319 O SER A 20 -9.360 -6.365 -7.132 1.00 7.26 O ATOM 320 CB SER A 20 -12.195 -5.514 -7.357 1.00 8.57 C ATOM 321 OG SER A 20 -12.409 -4.319 -8.093 1.00 11.13 O ATOM 0 H SER A 20 -11.938 -3.351 -5.955 1.00 6.80 H new ATOM 0 HA SER A 20 -11.487 -6.060 -5.426 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.759 -6.271 -8.009 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.152 -5.905 -7.010 1.00 8.57 H new ATOM 0 HG SER A 20 -13.000 -4.504 -8.852 1.00 11.13 H new ATOM 327 N ASP A 21 -9.064 -4.278 -6.532 1.00 7.50 N ATOM 328 CA ASP A 21 -7.667 -4.311 -6.837 1.00 7.70 C ATOM 329 C ASP A 21 -6.755 -4.984 -5.870 1.00 7.08 C ATOM 330 O ASP A 21 -6.964 -5.019 -4.659 1.00 8.11 O ATOM 331 CB ASP A 21 -7.037 -2.935 -7.117 1.00 11.00 C ATOM 332 CG ASP A 21 -7.617 -2.207 -8.321 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.540 -2.738 -9.461 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.010 -1.028 -8.114 1.00 18.03 O ATOM 0 H ASP A 21 -9.397 -3.363 -6.228 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.726 -4.926 -7.735 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.161 -2.307 -6.235 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.965 -3.064 -7.269 1.00 11.00 H new ATOM 339 N THR A 22 -5.752 -5.659 -6.459 1.00 5.37 N ATOM 340 CA THR A 22 -4.873 -6.522 -5.733 1.00 6.01 C ATOM 341 C THR A 22 -3.690 -5.726 -5.300 1.00 8.01 C ATOM 342 O THR A 22 -3.260 -4.754 -5.918 1.00 8.11 O ATOM 343 CB THR A 22 -4.428 -7.754 -6.464 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.950 -7.391 -7.751 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.510 -8.817 -6.712 1.00 9.65 C ATOM 0 H THR A 22 -5.548 -5.605 -7.457 1.00 5.37 H new ATOM 0 HA THR A 22 -5.445 -6.902 -4.886 1.00 6.01 H new ATOM 0 HB THR A 22 -3.676 -8.190 -5.807 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.657 -8.194 -8.230 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.075 -9.661 -7.247 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.909 -9.159 -5.757 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.314 -8.385 -7.308 1.00 9.65 H new ATOM 353 N ILE A 23 -3.090 -6.172 -4.181 1.00 8.32 N ATOM 354 CA ILE A 23 -1.936 -5.542 -3.617 1.00 9.92 C ATOM 355 C ILE A 23 -0.745 -5.432 -4.504 1.00 10.01 C ATOM 356 O ILE A 23 -0.084 -4.400 -4.405 1.00 8.71 O ATOM 357 CB ILE A 23 -1.650 -6.134 -2.269 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.861 -6.229 -1.326 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.494 -5.387 -1.582 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.294 -4.899 -0.711 1.00 12.30 C ATOM 0 H ILE A 23 -3.413 -6.986 -3.658 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.190 -4.490 -3.491 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.364 -7.166 -2.472 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.702 -6.650 -1.877 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.625 -6.926 -0.522 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.303 -5.832 -0.606 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.403 -5.461 -2.197 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.762 -4.338 -1.456 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.154 -5.061 -0.061 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.472 -4.483 -0.128 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.566 -4.203 -1.504 1.00 12.30 H new ATOM 372 N GLU A 24 -0.562 -6.327 -5.491 1.00 9.54 N ATOM 373 CA GLU A 24 0.391 -6.132 -6.540 1.00 11.81 C ATOM 374 C GLU A 24 0.126 -4.973 -7.437 1.00 11.14 C ATOM 375 O GLU A 24 0.987 -4.162 -7.774 1.00 10.62 O ATOM 376 CB GLU A 24 0.168 -7.368 -7.428 1.00 19.24 C ATOM 377 CG GLU A 24 1.155 -7.446 -8.594 1.00 27.76 C ATOM 378 CD GLU A 24 0.707 -8.583 -9.502 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.225 -8.506 -10.347 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.378 -9.649 -9.493 1.00 34.80 O ATOM 0 H GLU A 24 -1.084 -7.200 -5.562 1.00 9.54 H new ATOM 0 HA GLU A 24 1.374 -5.971 -6.097 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.259 -8.268 -6.820 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.849 -7.350 -7.819 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.175 -6.504 -9.142 1.00 27.76 H new ATOM 0 HG3 GLU A 24 2.166 -7.624 -8.228 1.00 27.76 H new ATOM 387 N ASN A 25 -1.117 -4.759 -7.906 1.00 9.43 N ATOM 388 CA ASN A 25 -1.446 -3.658 -8.757 1.00 10.96 C ATOM 389 C ASN A 25 -1.471 -2.353 -8.039 1.00 9.68 C ATOM 390 O ASN A 25 -1.251 -1.261 -8.562 1.00 9.33 O ATOM 391 CB ASN A 25 -2.759 -3.879 -9.527 1.00 16.78 C ATOM 392 CG ASN A 25 -2.503 -4.850 -10.671 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.306 -4.374 -11.788 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.668 -6.174 -10.408 1.00 24.70 N ATOM 0 H ASN A 25 -1.909 -5.364 -7.689 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.637 -3.610 -9.486 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.525 -4.276 -8.860 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.133 -2.931 -9.914 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.632 -6.853 -11.168 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.828 -6.488 -9.451 1.00 24.70 H new ATOM 401 N VAL A 26 -1.794 -2.380 -6.734 1.00 6.52 N ATOM 402 CA VAL A 26 -1.838 -1.234 -5.880 1.00 5.53 C ATOM 403 C VAL A 26 -0.439 -0.741 -5.739 1.00 4.42 C ATOM 404 O VAL A 26 -0.215 0.444 -5.981 1.00 3.40 O ATOM 405 CB VAL A 26 -2.562 -1.595 -4.616 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.333 -0.606 -3.461 1.00 7.25 C ATOM 407 CG2 VAL A 26 -4.021 -1.837 -5.037 1.00 8.12 C ATOM 0 H VAL A 26 -2.037 -3.245 -6.250 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.411 -0.397 -6.280 1.00 5.53 H new ATOM 0 HB VAL A 26 -2.165 -2.502 -4.160 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.889 -0.936 -2.584 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.270 -0.565 -3.223 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.677 0.385 -3.757 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.612 -2.106 -4.162 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.426 -0.929 -5.483 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.060 -2.648 -5.765 1.00 8.12 H new ATOM 417 N LYS A 27 0.528 -1.636 -5.472 1.00 2.64 N ATOM 418 CA LYS A 27 1.935 -1.380 -5.478 1.00 4.14 C ATOM 419 C LYS A 27 2.484 -0.915 -6.783 1.00 5.58 C ATOM 420 O LYS A 27 3.572 -0.343 -6.822 1.00 4.11 O ATOM 421 CB LYS A 27 2.677 -2.634 -4.985 1.00 3.97 C ATOM 422 CG LYS A 27 2.622 -2.886 -3.477 1.00 7.45 C ATOM 423 CD LYS A 27 3.467 -4.058 -2.975 1.00 9.02 C ATOM 424 CE LYS A 27 3.099 -5.426 -3.555 1.00 12.90 C ATOM 425 NZ LYS A 27 4.267 -6.331 -3.480 1.00 15.47 N ATOM 0 H LYS A 27 0.311 -2.604 -5.236 1.00 2.64 H new ATOM 0 HA LYS A 27 2.099 -0.542 -4.801 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.263 -3.503 -5.496 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.722 -2.557 -5.284 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.945 -1.981 -2.963 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.584 -3.061 -3.193 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.513 -3.854 -3.204 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.382 -4.107 -1.889 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.261 -5.852 -3.003 1.00 12.90 H new ATOM 0 HE3 LYS A 27 2.777 -5.318 -4.591 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 3.967 -7.255 -3.110 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.673 -6.453 -4.430 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.984 -5.921 -2.847 1.00 15.47 H new ATOM 439 N ALA A 28 1.809 -1.092 -7.933 1.00 6.61 N ATOM 440 CA ALA A 28 2.177 -0.492 -9.178 1.00 7.74 C ATOM 441 C ALA A 28 1.729 0.926 -9.273 1.00 9.17 C ATOM 442 O ALA A 28 2.312 1.773 -9.948 1.00 11.45 O ATOM 443 CB ALA A 28 1.695 -1.282 -10.407 1.00 7.68 C ATOM 0 H ALA A 28 0.975 -1.675 -7.998 1.00 6.61 H new ATOM 0 HA ALA A 28 3.267 -0.515 -9.188 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.010 -0.769 -11.316 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.126 -2.283 -10.388 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.608 -1.355 -10.389 1.00 7.68 H new ATOM 449 N LYS A 29 0.692 1.373 -8.543 1.00 8.96 N ATOM 450 CA LYS A 29 0.169 2.703 -8.510 1.00 7.90 C ATOM 451 C LYS A 29 1.063 3.519 -7.641 1.00 6.92 C ATOM 452 O LYS A 29 1.327 4.656 -8.029 1.00 6.87 O ATOM 453 CB LYS A 29 -1.253 2.892 -7.954 1.00 10.28 C ATOM 454 CG LYS A 29 -2.231 2.190 -8.898 1.00 14.94 C ATOM 455 CD LYS A 29 -3.625 2.807 -8.764 1.00 19.69 C ATOM 456 CE LYS A 29 -4.445 2.550 -10.029 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.748 3.246 -9.943 1.00 24.98 N ATOM 0 H LYS A 29 0.176 0.748 -7.923 1.00 8.96 H new ATOM 0 HA LYS A 29 0.122 2.999 -9.558 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.327 2.474 -6.950 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.493 3.952 -7.877 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -1.883 2.279 -9.927 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.272 1.126 -8.666 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.136 2.383 -7.899 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.540 3.880 -8.590 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.896 2.897 -10.904 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.604 1.479 -10.157 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.504 2.610 -10.269 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.930 3.522 -8.957 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.728 4.096 -10.543 1.00 24.98 H new ATOM 471 N ILE A 30 1.594 2.907 -6.568 1.00 4.57 N ATOM 472 CA ILE A 30 2.550 3.500 -5.684 1.00 5.58 C ATOM 473 C ILE A 30 3.856 3.655 -6.383 1.00 7.26 C ATOM 474 O ILE A 30 4.461 4.720 -6.265 1.00 9.46 O ATOM 475 CB ILE A 30 2.763 2.615 -4.492 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.448 2.486 -3.705 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.882 3.046 -3.528 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.470 1.394 -2.636 1.00 2.00 C ATOM 0 H ILE A 30 1.345 1.954 -6.304 1.00 4.57 H new ATOM 0 HA ILE A 30 2.171 4.472 -5.368 1.00 5.58 H new ATOM 0 HB ILE A 30 3.090 1.662 -4.908 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.225 3.441 -3.230 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.637 2.281 -4.403 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.947 2.335 -2.704 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.832 3.071 -4.061 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.661 4.038 -3.134 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.508 1.365 -2.125 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.660 0.429 -3.106 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.258 1.608 -1.914 1.00 2.00 H new ATOM 490 N GLN A 31 4.290 2.717 -7.244 1.00 7.06 N ATOM 491 CA GLN A 31 5.249 2.929 -8.283 1.00 8.67 C ATOM 492 C GLN A 31 4.910 4.038 -9.219 1.00 10.90 C ATOM 493 O GLN A 31 5.732 4.943 -9.352 1.00 9.63 O ATOM 494 CB GLN A 31 5.585 1.671 -9.102 1.00 9.12 C ATOM 495 CG GLN A 31 6.797 1.797 -10.027 1.00 10.76 C ATOM 496 CD GLN A 31 7.286 0.557 -10.762 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.262 -0.290 -11.050 1.00 14.48 O flip ATOM 498 NE2 GLN A 31 8.472 0.456 -11.072 1.00 14.76 N flip ATOM 0 H GLN A 31 3.951 1.755 -7.212 1.00 7.06 H new ATOM 0 HA GLN A 31 6.135 3.218 -7.718 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.759 0.845 -8.413 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.715 1.406 -9.704 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.565 2.555 -10.775 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.628 2.179 -9.434 1.00 10.76 H new ATOM 0 HE21 GLN A 31 9.137 1.174 -10.785 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.790 -0.346 -11.616 1.00 14.76 H new ATOM 507 N ASP A 32 3.734 4.119 -9.868 1.00 10.93 N ATOM 508 CA ASP A 32 3.482 5.206 -10.761 1.00 14.01 C ATOM 509 C ASP A 32 3.421 6.567 -10.158 1.00 14.04 C ATOM 510 O ASP A 32 3.912 7.524 -10.754 1.00 13.39 O ATOM 511 CB ASP A 32 2.154 4.915 -11.482 1.00 18.01 C ATOM 512 CG ASP A 32 1.911 5.659 -12.787 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.660 5.289 -13.730 1.00 25.17 O ATOM 514 OD2 ASP A 32 0.978 6.497 -12.909 1.00 26.29 O ATOM 0 H ASP A 32 2.972 3.447 -9.777 1.00 10.93 H new ATOM 0 HA ASP A 32 4.345 5.249 -11.426 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.104 3.845 -11.685 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.337 5.149 -10.799 1.00 18.01 H new ATOM 519 N LYS A 33 2.989 6.690 -8.890 1.00 14.22 N ATOM 520 CA LYS A 33 3.079 7.855 -8.065 1.00 14.00 C ATOM 521 C LYS A 33 4.476 8.305 -7.808 1.00 12.37 C ATOM 522 O LYS A 33 4.962 9.389 -8.127 1.00 12.17 O ATOM 523 CB LYS A 33 2.292 7.636 -6.762 1.00 18.62 C ATOM 524 CG LYS A 33 0.764 7.662 -6.830 1.00 24.00 C ATOM 525 CD LYS A 33 0.167 8.484 -5.686 1.00 27.61 C ATOM 526 CE LYS A 33 -1.332 8.774 -5.787 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.837 9.400 -7.030 1.00 30.06 N ATOM 0 H LYS A 33 2.542 5.912 -8.405 1.00 14.22 H new ATOM 0 HA LYS A 33 2.624 8.676 -8.620 1.00 14.00 H new ATOM 0 HB2 LYS A 33 2.591 6.672 -6.350 1.00 18.62 H new ATOM 0 HB3 LYS A 33 2.607 8.399 -6.050 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.448 8.082 -7.785 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.379 6.643 -6.787 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.354 7.958 -4.750 1.00 27.61 H new ATOM 0 HD3 LYS A 33 0.699 9.434 -5.630 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.864 7.833 -5.647 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.604 9.421 -4.953 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.865 9.537 -6.957 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.374 10.321 -7.168 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.627 8.782 -7.840 1.00 30.06 H new ATOM 541 N GLU A 34 5.207 7.461 -7.058 1.00 10.11 N ATOM 542 CA GLU A 34 6.392 7.825 -6.346 1.00 10.07 C ATOM 543 C GLU A 34 7.642 7.526 -7.099 1.00 9.32 C ATOM 544 O GLU A 34 8.466 8.399 -7.369 1.00 11.61 O ATOM 545 CB GLU A 34 6.550 7.033 -5.036 1.00 14.77 C ATOM 546 CG GLU A 34 5.499 7.327 -3.964 1.00 18.75 C ATOM 547 CD GLU A 34 5.648 8.758 -3.467 1.00 22.28 C ATOM 548 OE1 GLU A 34 6.665 9.123 -2.818 1.00 21.95 O ATOM 549 OE2 GLU A 34 4.812 9.664 -3.724 1.00 25.19 O ATOM 0 H GLU A 34 4.960 6.478 -6.943 1.00 10.11 H new ATOM 0 HA GLU A 34 6.267 8.895 -6.178 1.00 10.07 H new ATOM 0 HB2 GLU A 34 6.520 5.968 -5.268 1.00 14.77 H new ATOM 0 HB3 GLU A 34 7.536 7.241 -4.621 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.500 7.177 -4.372 1.00 18.75 H new ATOM 0 HG3 GLU A 34 5.611 6.631 -3.133 1.00 18.75 H new ATOM 556 N GLY A 35 7.682 6.283 -7.610 1.00 7.22 N ATOM 557 CA GLY A 35 8.868 5.772 -8.226 1.00 6.29 C ATOM 558 C GLY A 35 9.489 4.630 -7.497 1.00 6.93 C ATOM 559 O GLY A 35 10.665 4.344 -7.711 1.00 7.41 O ATOM 0 H GLY A 35 6.896 5.633 -7.597 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.629 5.454 -9.241 1.00 6.29 H new ATOM 0 HA3 GLY A 35 9.598 6.577 -8.307 1.00 6.29 H new ATOM 563 N ILE A 36 8.752 4.054 -6.530 1.00 5.86 N ATOM 564 CA ILE A 36 9.212 2.999 -5.682 1.00 6.07 C ATOM 565 C ILE A 36 8.734 1.709 -6.256 1.00 6.36 C ATOM 566 O ILE A 36 7.525 1.492 -6.310 1.00 6.18 O ATOM 567 CB ILE A 36 8.797 3.112 -4.245 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.166 4.497 -3.688 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.284 1.948 -3.366 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.581 4.844 -2.319 1.00 9.49 C ATOM 0 H ILE A 36 7.792 4.337 -6.331 1.00 5.86 H new ATOM 0 HA ILE A 36 10.300 3.061 -5.658 1.00 6.07 H new ATOM 0 HB ILE A 36 7.711 3.023 -4.213 1.00 7.47 H new ATOM 0 HG12 ILE A 36 10.252 4.564 -3.625 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.841 5.253 -4.403 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.945 2.100 -2.341 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.879 1.010 -3.747 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.373 1.908 -3.386 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.907 5.842 -2.026 1.00 9.49 H new ATOM 0 HD12 ILE A 36 7.493 4.819 -2.371 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.926 4.119 -1.582 1.00 9.49 H new ATOM 582 N PRO A 37 9.493 0.779 -6.757 1.00 8.65 N ATOM 583 CA PRO A 37 8.994 -0.349 -7.487 1.00 9.18 C ATOM 584 C PRO A 37 8.421 -1.349 -6.542 1.00 9.85 C ATOM 585 O PRO A 37 8.679 -1.270 -5.342 1.00 8.51 O ATOM 586 CB PRO A 37 10.267 -0.930 -8.100 1.00 11.42 C ATOM 587 CG PRO A 37 11.417 0.076 -7.934 1.00 9.27 C ATOM 588 CD PRO A 37 10.936 0.675 -6.603 1.00 8.33 C ATOM 0 HA PRO A 37 8.219 -0.092 -8.209 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.520 -1.873 -7.615 1.00 11.42 H new ATOM 0 HB3 PRO A 37 10.109 -1.148 -9.156 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.397 -0.396 -7.865 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.471 0.806 -8.741 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.201 0.036 -5.760 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.388 1.650 -6.419 1.00 8.33 H new ATOM 596 N PRO A 38 7.641 -2.308 -6.942 1.00 8.71 N ATOM 597 CA PRO A 38 6.865 -3.100 -6.032 1.00 9.08 C ATOM 598 C PRO A 38 7.528 -3.963 -5.014 1.00 9.28 C ATOM 599 O PRO A 38 6.901 -4.262 -3.999 1.00 6.50 O ATOM 600 CB PRO A 38 5.866 -3.890 -6.874 1.00 10.31 C ATOM 601 CG PRO A 38 5.705 -3.007 -8.121 1.00 10.81 C ATOM 602 CD PRO A 38 7.105 -2.395 -8.291 1.00 12.00 C ATOM 0 HA PRO A 38 6.420 -2.369 -5.357 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.243 -4.881 -7.125 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.919 -4.032 -6.353 1.00 10.31 H new ATOM 0 HG2 PRO A 38 5.410 -3.590 -8.994 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.944 -2.240 -7.978 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.734 -3.018 -8.927 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.052 -1.412 -8.760 1.00 12.00 H new ATOM 610 N ASP A 39 8.725 -4.479 -5.347 1.00 11.20 N ATOM 611 CA ASP A 39 9.374 -5.345 -4.413 1.00 14.96 C ATOM 612 C ASP A 39 10.393 -4.612 -3.610 1.00 13.99 C ATOM 613 O ASP A 39 11.169 -5.285 -2.934 1.00 13.75 O ATOM 614 CB ASP A 39 10.055 -6.532 -5.117 1.00 24.16 C ATOM 615 CG ASP A 39 9.127 -7.270 -6.071 1.00 31.06 C ATOM 616 OD1 ASP A 39 8.028 -7.760 -5.696 1.00 35.55 O ATOM 617 OD2 ASP A 39 9.541 -7.340 -7.259 1.00 34.22 O ATOM 0 H ASP A 39 9.224 -4.308 -6.220 1.00 11.20 H new ATOM 0 HA ASP A 39 8.595 -5.723 -3.751 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.922 -6.171 -5.670 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.424 -7.230 -4.365 1.00 24.16 H new ATOM 622 N GLN A 40 10.515 -3.273 -3.651 1.00 11.60 N ATOM 623 CA GLN A 40 11.087 -2.482 -2.606 1.00 10.76 C ATOM 624 C GLN A 40 10.130 -2.267 -1.485 1.00 8.01 C ATOM 625 O GLN A 40 10.529 -2.095 -0.334 1.00 8.96 O ATOM 626 CB GLN A 40 11.512 -1.143 -3.231 1.00 11.14 C ATOM 627 CG GLN A 40 12.348 -0.193 -2.372 1.00 14.85 C ATOM 628 CD GLN A 40 13.583 -0.699 -1.639 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.612 -0.792 -0.413 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.549 -1.246 -2.425 1.00 18.16 N ATOM 0 H GLN A 40 10.201 -2.718 -4.447 1.00 11.60 H new ATOM 0 HA GLN A 40 11.944 -2.999 -2.175 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.076 -1.360 -4.138 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.609 -0.613 -3.536 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.669 0.625 -3.017 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.681 0.234 -1.623 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.496 -1.151 -3.439 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.327 -1.751 -2.000 1.00 18.16 H new ATOM 639 N GLN A 41 8.813 -2.347 -1.745 1.00 6.52 N ATOM 640 CA GLN A 41 7.787 -2.081 -0.786 1.00 3.87 C ATOM 641 C GLN A 41 7.329 -3.117 0.182 1.00 4.79 C ATOM 642 O GLN A 41 7.289 -4.273 -0.237 1.00 6.34 O ATOM 643 CB GLN A 41 6.530 -1.717 -1.593 1.00 4.20 C ATOM 644 CG GLN A 41 6.768 -0.541 -2.542 1.00 3.20 C ATOM 645 CD GLN A 41 5.540 -0.132 -3.343 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.459 0.062 -2.790 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.644 0.099 -4.679 1.00 7.13 N ATOM 0 H GLN A 41 8.448 -2.608 -2.661 1.00 6.52 H new ATOM 0 HA GLN A 41 8.260 -1.332 -0.151 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.206 -2.585 -2.168 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.720 -1.469 -0.907 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.113 0.316 -1.963 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.569 -0.802 -3.233 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.532 -0.056 -5.156 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.834 0.427 -5.204 1.00 7.13 H new ATOM 656 N ARG A 42 6.958 -2.790 1.433 1.00 5.73 N ATOM 657 CA ARG A 42 6.546 -3.774 2.385 1.00 6.97 C ATOM 658 C ARG A 42 5.344 -3.172 3.027 1.00 7.15 C ATOM 659 O ARG A 42 5.449 -2.200 3.773 1.00 7.33 O ATOM 660 CB ARG A 42 7.594 -4.028 3.482 1.00 13.23 C ATOM 661 CG ARG A 42 7.378 -5.253 4.372 1.00 21.27 C ATOM 662 CD ARG A 42 8.584 -5.648 5.227 1.00 26.14 C ATOM 663 NE ARG A 42 9.475 -6.539 4.432 1.00 32.26 N ATOM 664 CZ ARG A 42 10.779 -6.690 4.809 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.343 -6.009 5.849 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.584 -7.584 4.166 1.00 36.39 N ATOM 0 H ARG A 42 6.944 -1.834 1.788 1.00 5.73 H new ATOM 0 HA ARG A 42 6.378 -4.731 1.891 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.569 -4.123 3.005 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.637 -3.147 4.122 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.531 -5.061 5.031 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.105 -6.099 3.741 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.128 -4.758 5.544 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.253 -6.158 6.132 1.00 26.14 H new ATOM 0 HE ARG A 42 9.115 -7.031 3.614 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.784 -5.348 6.388 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.323 -6.161 6.087 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.213 -8.144 3.399 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.557 -7.692 4.452 1.00 36.39 H new ATOM 680 N LEU A 43 4.172 -3.774 2.754 1.00 4.65 N ATOM 681 CA LEU A 43 2.981 -3.172 3.268 1.00 3.51 C ATOM 682 C LEU A 43 2.464 -3.764 4.534 1.00 5.56 C ATOM 683 O LEU A 43 2.161 -4.954 4.594 1.00 4.19 O ATOM 684 CB LEU A 43 1.980 -3.309 2.109 1.00 3.74 C ATOM 685 CG LEU A 43 2.144 -2.352 0.916 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.062 -2.695 -0.122 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.987 -0.875 1.316 1.00 9.55 C ATOM 0 H LEU A 43 4.049 -4.628 2.210 1.00 4.65 H new ATOM 0 HA LEU A 43 3.169 -2.141 3.568 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.038 -4.330 1.732 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.976 -3.175 2.513 1.00 3.74 H new ATOM 0 HG LEU A 43 3.151 -2.479 0.518 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.157 -2.029 -0.980 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.186 -3.728 -0.449 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.076 -2.572 0.326 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.112 -0.244 0.436 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.995 -0.716 1.738 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.743 -0.617 2.058 1.00 9.55 H new ATOM 699 N ILE A 44 2.356 -2.964 5.610 1.00 4.58 N ATOM 700 CA ILE A 44 1.817 -3.290 6.893 1.00 5.55 C ATOM 701 C ILE A 44 0.420 -2.782 7.001 1.00 5.46 C ATOM 702 O ILE A 44 -0.033 -1.717 6.584 1.00 6.04 O ATOM 703 CB ILE A 44 2.756 -2.858 7.980 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.212 -3.266 7.698 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.223 -3.366 9.330 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.406 -4.782 7.683 1.00 13.90 C ATOM 0 H ILE A 44 2.678 -1.997 5.575 1.00 4.58 H new ATOM 0 HA ILE A 44 1.734 -4.369 7.020 1.00 5.55 H new ATOM 0 HB ILE A 44 2.788 -1.769 8.017 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.521 -2.855 6.737 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.861 -2.828 8.456 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.899 -3.057 10.127 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.233 -2.948 9.511 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.159 -4.454 9.310 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.452 -5.013 7.479 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.125 -5.194 8.652 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.780 -5.221 6.907 1.00 13.90 H new ATOM 718 N PHE A 45 -0.495 -3.634 7.498 1.00 6.75 N ATOM 719 CA PHE A 45 -1.715 -3.166 8.079 1.00 4.70 C ATOM 720 C PHE A 45 -1.770 -3.772 9.440 1.00 6.34 C ATOM 721 O PHE A 45 -1.885 -4.986 9.598 1.00 5.45 O ATOM 722 CB PHE A 45 -2.947 -3.597 7.265 1.00 5.51 C ATOM 723 CG PHE A 45 -4.105 -2.693 7.509 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.204 -1.398 7.057 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.201 -3.185 8.178 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.285 -0.592 7.325 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.312 -2.428 8.467 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.329 -1.119 8.048 1.00 6.84 C ATOM 0 H PHE A 45 -0.389 -4.649 7.497 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.731 -2.076 8.103 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.701 -3.597 6.203 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.220 -4.619 7.529 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.396 -0.996 6.464 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.189 -4.218 8.492 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.313 0.430 6.976 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.147 -2.850 9.007 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.176 -0.494 8.291 1.00 6.84 H new ATOM 738 N ALA A 46 -1.707 -2.889 10.452 1.00 6.53 N ATOM 739 CA ALA A 46 -1.546 -3.065 11.862 1.00 7.15 C ATOM 740 C ALA A 46 -0.196 -3.634 12.133 1.00 9.00 C ATOM 741 O ALA A 46 0.702 -2.846 12.427 1.00 11.15 O ATOM 742 CB ALA A 46 -2.713 -3.778 12.564 1.00 8.99 C ATOM 0 H ALA A 46 -1.782 -1.894 10.239 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.593 -2.084 12.334 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.499 -3.865 13.629 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.628 -3.203 12.424 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.841 -4.773 12.138 1.00 8.99 H new ATOM 748 N GLY A 47 -0.045 -4.968 12.058 1.00 9.35 N ATOM 749 CA GLY A 47 1.163 -5.730 12.126 1.00 11.68 C ATOM 750 C GLY A 47 1.194 -6.833 11.124 1.00 11.14 C ATOM 751 O GLY A 47 2.012 -7.734 11.303 1.00 13.93 O ATOM 0 H GLY A 47 -0.857 -5.574 11.937 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.015 -5.070 11.963 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.270 -6.148 13.127 1.00 11.68 H new ATOM 755 N LYS A 48 0.247 -6.967 10.179 1.00 10.47 N ATOM 756 CA LYS A 48 0.220 -8.038 9.231 1.00 8.82 C ATOM 757 C LYS A 48 0.805 -7.550 7.950 1.00 7.68 C ATOM 758 O LYS A 48 0.712 -6.390 7.552 1.00 6.47 O ATOM 759 CB LYS A 48 -1.284 -8.257 8.997 1.00 9.74 C ATOM 760 CG LYS A 48 -1.710 -9.387 8.057 1.00 14.14 C ATOM 761 CD LYS A 48 -3.219 -9.424 7.806 1.00 16.32 C ATOM 762 CE LYS A 48 -4.049 -9.686 9.064 1.00 20.04 C ATOM 763 NZ LYS A 48 -3.844 -11.087 9.494 1.00 23.92 N ATOM 0 H LYS A 48 -0.525 -6.309 10.071 1.00 10.47 H new ATOM 0 HA LYS A 48 0.759 -8.926 9.563 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.750 -8.436 9.966 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.700 -7.327 8.610 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.192 -9.274 7.105 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.395 -10.341 8.480 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.528 -8.474 7.369 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.437 -10.199 7.071 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.754 -9.001 9.859 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -5.105 -9.505 8.863 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.481 -11.304 10.287 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.049 -11.727 8.700 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.858 -11.216 9.797 1.00 23.92 H new ATOM 777 N GLN A 49 1.639 -8.399 7.323 1.00 8.89 N ATOM 778 CA GLN A 49 2.259 -8.021 6.091 1.00 7.18 C ATOM 779 C GLN A 49 1.437 -8.589 4.986 1.00 8.23 C ATOM 780 O GLN A 49 1.016 -9.745 5.012 1.00 9.70 O ATOM 781 CB GLN A 49 3.689 -8.546 5.873 1.00 11.67 C ATOM 782 CG GLN A 49 4.431 -8.149 4.596 1.00 15.82 C ATOM 783 CD GLN A 49 5.871 -8.641 4.589 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.743 -8.240 5.358 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.242 -9.602 3.701 1.00 20.67 N ATOM 0 H GLN A 49 1.881 -9.330 7.661 1.00 8.89 H new ATOM 0 HA GLN A 49 2.321 -6.933 6.115 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.293 -8.221 6.720 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.650 -9.635 5.908 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.906 -8.556 3.732 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.419 -7.064 4.494 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.562 -9.974 3.038 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.200 -9.951 3.698 1.00 20.67 H new ATOM 794 N LEU A 50 1.091 -7.668 4.069 1.00 6.51 N ATOM 795 CA LEU A 50 0.050 -7.956 3.133 1.00 7.41 C ATOM 796 C LEU A 50 0.677 -8.720 2.017 1.00 8.27 C ATOM 797 O LEU A 50 1.822 -8.486 1.633 1.00 8.34 O ATOM 798 CB LEU A 50 -0.542 -6.648 2.582 1.00 7.13 C ATOM 799 CG LEU A 50 -1.299 -5.840 3.650 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.678 -4.486 3.027 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.639 -6.431 4.119 1.00 8.14 C ATOM 0 H LEU A 50 1.519 -6.747 3.976 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.752 -8.522 3.607 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.261 -6.036 2.171 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.219 -6.879 1.760 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.625 -5.809 4.506 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.218 -3.887 3.760 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.773 -3.959 2.723 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.312 -4.651 2.156 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.082 -5.778 4.871 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.316 -6.517 3.269 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.470 -7.418 4.550 1.00 8.14 H new ATOM 813 N GLU A 51 -0.114 -9.574 1.344 1.00 9.43 N ATOM 814 CA GLU A 51 0.180 -10.405 0.218 1.00 11.90 C ATOM 815 C GLU A 51 -0.232 -9.909 -1.125 1.00 11.49 C ATOM 816 O GLU A 51 -1.338 -9.387 -1.253 1.00 9.88 O ATOM 817 CB GLU A 51 -0.286 -11.868 0.316 1.00 16.56 C ATOM 818 CG GLU A 51 0.439 -12.561 1.471 1.00 26.06 C ATOM 819 CD GLU A 51 -0.020 -14.011 1.548 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.107 -14.316 2.106 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.673 -14.886 0.964 1.00 32.13 O ATOM 0 H GLU A 51 -1.086 -9.694 1.631 1.00 9.43 H new ATOM 0 HA GLU A 51 1.267 -10.354 0.288 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.364 -11.907 0.474 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.082 -12.389 -0.620 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.517 -12.515 1.320 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.227 -12.049 2.410 1.00 26.06 H new ATOM 828 N ASP A 52 0.613 -10.143 -2.145 1.00 12.71 N ATOM 829 CA ASP A 52 0.409 -9.557 -3.434 1.00 16.56 C ATOM 830 C ASP A 52 -0.816 -9.837 -4.234 1.00 15.83 C ATOM 831 O ASP A 52 -1.368 -8.926 -4.848 1.00 17.21 O ATOM 832 CB ASP A 52 1.595 -9.744 -4.395 1.00 21.05 C ATOM 833 CG ASP A 52 2.888 -9.642 -3.598 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.024 -8.602 -2.900 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.714 -10.593 -3.576 1.00 28.37 O ATOM 0 H ASP A 52 1.438 -10.739 -2.077 1.00 12.71 H new ATOM 0 HA ASP A 52 0.280 -8.540 -3.065 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.531 -10.713 -4.890 1.00 21.05 H new ATOM 0 HB3 ASP A 52 1.572 -8.985 -5.177 1.00 21.05 H new ATOM 840 N GLY A 53 -1.253 -11.107 -4.307 1.00 15.00 N ATOM 841 CA GLY A 53 -2.373 -11.555 -5.074 1.00 11.77 C ATOM 842 C GLY A 53 -3.541 -11.794 -4.180 1.00 11.10 C ATOM 843 O GLY A 53 -4.397 -12.632 -4.459 1.00 11.25 O ATOM 0 H GLY A 53 -0.797 -11.865 -3.800 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.628 -10.811 -5.828 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.117 -12.472 -5.605 1.00 11.77 H new ATOM 847 N ARG A 54 -3.669 -10.955 -3.136 1.00 8.53 N ATOM 848 CA ARG A 54 -4.927 -10.830 -2.468 1.00 9.05 C ATOM 849 C ARG A 54 -5.496 -9.455 -2.558 1.00 8.96 C ATOM 850 O ARG A 54 -4.790 -8.505 -2.892 1.00 11.60 O ATOM 851 CB ARG A 54 -4.949 -11.323 -1.011 1.00 7.97 C ATOM 852 CG ARG A 54 -4.422 -12.745 -0.810 1.00 9.62 C ATOM 853 CD ARG A 54 -4.076 -13.103 0.637 1.00 12.20 C ATOM 854 NE ARG A 54 -3.509 -14.475 0.771 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.239 -15.559 0.379 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.591 -15.575 0.193 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.518 -16.709 0.233 1.00 25.50 N ATOM 0 H ARG A 54 -2.919 -10.375 -2.761 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.569 -11.513 -3.025 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -4.356 -10.641 -0.402 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.973 -11.274 -0.640 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.170 -13.449 -1.175 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.532 -12.878 -1.425 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.359 -12.379 1.025 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.973 -13.024 1.251 1.00 12.20 H new ATOM 0 HE ARG A 54 -2.573 -14.604 1.156 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.137 -14.728 0.349 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.055 -16.434 -0.102 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.514 -16.708 0.414 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -3.983 -17.569 -0.057 1.00 25.50 H new ATOM 871 N THR A 55 -6.816 -9.248 -2.406 1.00 9.05 N ATOM 872 CA THR A 55 -7.405 -7.978 -2.697 1.00 9.03 C ATOM 873 C THR A 55 -7.689 -7.163 -1.483 1.00 8.15 C ATOM 874 O THR A 55 -7.732 -7.578 -0.326 1.00 5.91 O ATOM 875 CB THR A 55 -8.703 -8.099 -3.440 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.758 -8.781 -2.778 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.452 -8.799 -4.786 1.00 11.71 C ATOM 0 H THR A 55 -7.474 -9.957 -2.083 1.00 9.05 H new ATOM 0 HA THR A 55 -6.651 -7.484 -3.310 1.00 9.03 H new ATOM 0 HB THR A 55 -9.047 -7.070 -3.544 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.492 -9.709 -2.609 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.392 -8.889 -5.330 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.747 -8.213 -5.375 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.039 -9.792 -4.608 1.00 11.71 H new ATOM 885 N LEU A 56 -7.951 -5.852 -1.630 1.00 6.91 N ATOM 886 CA LEU A 56 -8.300 -5.014 -0.525 1.00 8.29 C ATOM 887 C LEU A 56 -9.481 -5.458 0.268 1.00 8.05 C ATOM 888 O LEU A 56 -9.560 -5.290 1.484 1.00 10.17 O ATOM 889 CB LEU A 56 -8.444 -3.524 -0.878 1.00 6.60 C ATOM 890 CG LEU A 56 -7.125 -2.913 -1.381 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.487 -1.646 -2.174 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.171 -2.638 -0.206 1.00 9.85 C ATOM 0 H LEU A 56 -7.920 -5.367 -2.527 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.425 -5.130 0.115 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.211 -3.407 -1.643 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.784 -2.976 0.001 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.588 -3.601 -2.034 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.576 -1.180 -2.550 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.131 -1.913 -3.012 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.011 -0.946 -1.523 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.244 -2.206 -0.583 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.640 -1.941 0.488 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.952 -3.572 0.311 1.00 9.85 H new ATOM 904 N SER A 57 -10.542 -5.917 -0.419 1.00 8.92 N ATOM 905 CA SER A 57 -11.814 -6.377 0.043 1.00 9.00 C ATOM 906 C SER A 57 -11.768 -7.603 0.889 1.00 9.44 C ATOM 907 O SER A 57 -12.497 -7.799 1.860 1.00 10.91 O ATOM 908 CB SER A 57 -12.813 -6.447 -1.124 1.00 10.32 C ATOM 909 OG SER A 57 -14.142 -6.564 -0.638 1.00 13.59 O ATOM 0 H SER A 57 -10.496 -5.970 -1.437 1.00 8.92 H new ATOM 0 HA SER A 57 -12.184 -5.631 0.746 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.723 -5.553 -1.741 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.577 -7.299 -1.761 1.00 10.32 H new ATOM 0 HG SER A 57 -14.764 -6.606 -1.394 1.00 13.59 H new ATOM 915 N ASP A 58 -10.813 -8.509 0.613 1.00 9.11 N ATOM 916 CA ASP A 58 -10.540 -9.753 1.263 1.00 7.91 C ATOM 917 C ASP A 58 -10.032 -9.445 2.629 1.00 9.12 C ATOM 918 O ASP A 58 -10.495 -10.060 3.588 1.00 8.61 O ATOM 919 CB ASP A 58 -9.573 -10.710 0.545 1.00 8.41 C ATOM 920 CG ASP A 58 -10.113 -11.142 -0.811 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.366 -11.201 -0.926 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.302 -11.358 -1.751 1.00 10.05 O ATOM 0 H ASP A 58 -10.160 -8.348 -0.154 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.481 -10.303 1.268 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.608 -10.221 0.413 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.403 -11.589 1.166 1.00 8.41 H new ATOM 927 N TYR A 59 -9.037 -8.563 2.833 1.00 7.97 N ATOM 928 CA TYR A 59 -8.561 -8.262 4.147 1.00 8.45 C ATOM 929 C TYR A 59 -9.460 -7.351 4.911 1.00 10.98 C ATOM 930 O TYR A 59 -9.156 -7.157 6.087 1.00 12.95 O ATOM 931 CB TYR A 59 -7.253 -7.457 4.072 1.00 7.94 C ATOM 932 CG TYR A 59 -6.124 -8.329 3.642 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.938 -8.496 2.290 1.00 4.59 C ATOM 934 CD2 TYR A 59 -5.247 -8.885 4.544 1.00 6.98 C ATOM 935 CE1 TYR A 59 -4.768 -9.079 1.863 1.00 5.39 C ATOM 936 CE2 TYR A 59 -4.109 -9.528 4.119 1.00 6.52 C ATOM 937 CZ TYR A 59 -3.904 -9.653 2.765 1.00 6.76 C ATOM 938 OH TYR A 59 -2.813 -10.333 2.183 1.00 7.63 O ATOM 0 H TYR A 59 -8.561 -8.057 2.086 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.471 -9.236 4.627 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.368 -6.630 3.371 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.032 -7.021 5.046 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.690 -8.178 1.583 1.00 4.59 H new ATOM 0 HD2 TYR A 59 -5.456 -8.815 5.601 1.00 6.98 H new ATOM 0 HE1 TYR A 59 -4.526 -9.086 0.810 1.00 5.39 H new ATOM 0 HE2 TYR A 59 -3.397 -9.924 4.828 1.00 6.52 H new ATOM 0 HH TYR A 59 -2.248 -10.710 2.889 1.00 7.63 H new ATOM 948 N ASN A 60 -10.575 -6.870 4.331 1.00 12.38 N ATOM 949 CA ASN A 60 -11.490 -5.859 4.762 1.00 13.94 C ATOM 950 C ASN A 60 -10.756 -4.596 5.058 1.00 14.16 C ATOM 951 O ASN A 60 -10.683 -4.136 6.197 1.00 14.26 O ATOM 952 CB ASN A 60 -12.436 -6.269 5.904 1.00 19.23 C ATOM 953 CG ASN A 60 -13.611 -5.303 5.865 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.947 -4.727 4.831 1.00 25.45 O ATOM 955 ND2 ASN A 60 -14.402 -5.303 6.972 1.00 24.09 N ATOM 0 H ASN A 60 -10.871 -7.249 3.431 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.168 -5.694 3.924 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -12.775 -7.297 5.776 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.926 -6.220 6.866 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -15.299 -4.817 6.958 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -14.098 -5.789 7.816 1.00 24.09 H new ATOM 962 N ILE A 61 -10.237 -3.995 3.973 1.00 11.08 N ATOM 963 CA ILE A 61 -9.678 -2.682 3.890 1.00 11.78 C ATOM 964 C ILE A 61 -10.618 -1.825 3.114 1.00 13.74 C ATOM 965 O ILE A 61 -10.768 -1.991 1.905 1.00 14.60 O ATOM 966 CB ILE A 61 -8.305 -2.716 3.288 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.270 -3.484 4.128 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.765 -1.299 3.032 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.130 -3.932 3.216 1.00 11.42 C ATOM 0 H ILE A 61 -10.207 -4.474 3.073 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.555 -2.260 4.887 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.435 -3.252 2.348 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.887 -2.849 4.927 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.735 -4.348 4.603 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.768 -1.363 2.596 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.429 -0.775 2.345 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.714 -0.753 3.974 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.389 -4.478 3.801 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.524 -4.580 2.433 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.662 -3.058 2.763 1.00 11.42 H new ATOM 981 N GLN A 62 -11.368 -0.991 3.856 1.00 13.97 N ATOM 982 CA GLN A 62 -12.277 -0.054 3.270 1.00 15.52 C ATOM 983 C GLN A 62 -11.677 1.281 2.991 1.00 13.94 C ATOM 984 O GLN A 62 -10.457 1.416 3.058 1.00 12.15 O ATOM 985 CB GLN A 62 -13.533 0.021 4.154 1.00 19.53 C ATOM 986 CG GLN A 62 -14.118 -1.390 4.248 1.00 26.38 C ATOM 987 CD GLN A 62 -15.348 -1.367 5.143 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.037 -0.430 5.543 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.770 -2.628 5.430 1.00 32.71 N ATOM 0 H GLN A 62 -11.344 -0.966 4.875 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.552 -0.415 2.279 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.281 0.398 5.145 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.262 0.710 3.726 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.384 -1.753 3.255 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.374 -2.078 4.650 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.226 -3.432 5.116 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.630 -2.770 5.959 1.00 32.71 H new ATOM 998 N LYS A 63 -12.397 2.329 2.551 1.00 11.73 N ATOM 999 CA LYS A 63 -11.775 3.600 2.345 1.00 11.97 C ATOM 1000 C LYS A 63 -11.130 4.194 3.550 1.00 10.41 C ATOM 1001 O LYS A 63 -11.325 3.822 4.706 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.806 4.631 1.856 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.869 5.079 2.861 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.461 6.360 2.270 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.685 6.855 3.043 1.00 23.42 C ATOM 1006 NZ LYS A 63 -15.391 7.186 4.456 1.00 25.97 N ATOM 0 H LYS A 63 -13.395 2.298 2.341 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.997 3.392 1.611 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.266 5.515 1.517 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.315 4.215 0.987 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.635 4.315 2.992 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.431 5.263 3.842 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.699 7.139 2.266 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.740 6.181 1.232 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -16.087 7.738 2.546 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.461 6.090 3.010 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -16.018 7.954 4.771 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.547 6.346 5.049 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -14.401 7.491 4.542 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.138 5.057 3.267 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.393 5.973 4.075 1.00 10.94 C ATOM 1022 C GLU A 64 -8.553 5.300 5.105 1.00 9.74 C ATOM 1023 O GLU A 64 -8.282 5.826 6.183 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.312 7.016 4.733 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.063 7.735 3.611 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.138 8.692 4.106 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.926 8.289 5.004 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.231 9.842 3.600 1.00 32.61 O ATOM 0 H GLU A 64 -9.808 5.115 2.303 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.711 6.482 3.393 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.012 6.535 5.416 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.729 7.725 5.321 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.347 8.290 3.005 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.523 6.992 2.960 1.00 24.16 H new ATOM 1035 N SER A 65 -8.180 4.038 4.824 1.00 6.85 N ATOM 1036 CA SER A 65 -7.468 3.188 5.727 1.00 6.90 C ATOM 1037 C SER A 65 -6.012 3.494 5.660 1.00 4.72 C ATOM 1038 O SER A 65 -5.461 3.737 4.587 1.00 3.91 O ATOM 1039 CB SER A 65 -7.658 1.695 5.410 1.00 7.28 C ATOM 1040 OG SER A 65 -9.029 1.350 5.540 1.00 10.56 O ATOM 0 H SER A 65 -8.383 3.592 3.930 1.00 6.85 H new ATOM 0 HA SER A 65 -7.870 3.381 6.722 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.313 1.481 4.398 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.055 1.090 6.087 1.00 7.28 H new ATOM 0 HG SER A 65 -9.462 1.392 4.662 1.00 10.56 H new ATOM 1046 N THR A 66 -5.384 3.678 6.835 1.00 4.48 N ATOM 1047 CA THR A 66 -3.982 3.955 6.895 1.00 3.80 C ATOM 1048 C THR A 66 -3.249 2.661 6.817 1.00 4.60 C ATOM 1049 O THR A 66 -3.226 1.922 7.800 1.00 5.33 O ATOM 1050 CB THR A 66 -3.536 4.736 8.095 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.113 6.034 8.073 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.014 4.951 8.038 1.00 3.40 C ATOM 0 H THR A 66 -5.846 3.635 7.743 1.00 4.48 H new ATOM 0 HA THR A 66 -3.754 4.604 6.049 1.00 3.80 H new ATOM 0 HB THR A 66 -3.834 4.181 8.984 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.818 6.537 8.861 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.694 5.519 8.912 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.510 3.985 8.029 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.758 5.502 7.133 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.517 2.467 5.705 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.641 1.363 5.463 1.00 3.85 C ATOM 1062 C LEU A 67 -0.263 1.883 5.688 1.00 3.80 C ATOM 1063 O LEU A 67 -0.009 3.054 5.412 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.757 0.820 4.028 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.883 -0.160 3.658 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.229 0.576 3.766 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.727 -0.657 2.211 1.00 8.12 C ATOM 0 H LEU A 67 -2.539 3.124 4.925 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.897 0.534 6.124 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.846 1.680 3.364 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.812 0.331 3.791 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.838 -1.013 4.336 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.039 -0.106 3.506 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.368 0.932 4.787 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.236 1.424 3.081 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.536 -1.349 1.975 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.765 0.192 1.529 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.770 -1.167 2.103 1.00 8.12 H new ATOM 1079 N HIS A 68 0.703 1.062 6.139 1.00 2.94 N ATOM 1080 CA HIS A 68 2.012 1.552 6.437 1.00 4.17 C ATOM 1081 C HIS A 68 3.035 0.990 5.511 1.00 5.32 C ATOM 1082 O HIS A 68 3.182 -0.231 5.461 1.00 7.70 O ATOM 1083 CB HIS A 68 2.425 1.387 7.910 1.00 5.57 C ATOM 1084 CG HIS A 68 1.463 2.028 8.866 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.326 1.376 9.298 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.395 3.279 9.395 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.378 2.258 10.057 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.278 3.395 10.196 1.00 16.30 N ATOM 0 H HIS A 68 0.578 0.062 6.297 1.00 2.94 H new ATOM 0 HA HIS A 68 1.961 2.628 6.271 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.505 0.325 8.142 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.415 1.820 8.054 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.111 4.067 9.214 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.347 2.055 10.489 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.014 4.192 10.775 1.00 16.30 H new ATOM 1096 N LEU A 69 3.699 1.836 4.704 1.00 5.29 N ATOM 1097 CA LEU A 69 4.825 1.524 3.879 1.00 3.97 C ATOM 1098 C LEU A 69 6.096 1.607 4.652 1.00 5.07 C ATOM 1099 O LEU A 69 6.470 2.564 5.329 1.00 4.34 O ATOM 1100 CB LEU A 69 4.957 2.471 2.674 1.00 6.08 C ATOM 1101 CG LEU A 69 6.075 2.193 1.655 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.793 0.876 0.912 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.133 3.329 0.620 1.00 6.87 C ATOM 0 H LEU A 69 3.426 2.815 4.623 1.00 5.29 H new ATOM 0 HA LEU A 69 4.652 0.509 3.523 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.008 2.464 2.138 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.099 3.481 3.058 1.00 6.08 H new ATOM 0 HG LEU A 69 7.022 2.124 2.191 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.589 0.687 0.192 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.749 0.056 1.629 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.840 0.951 0.388 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.927 3.126 -0.099 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.179 3.394 0.098 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.335 4.273 1.127 1.00 6.87 H new ATOM 1115 N VAL A 70 6.821 0.477 4.573 1.00 4.29 N ATOM 1116 CA VAL A 70 8.172 0.214 4.961 1.00 6.26 C ATOM 1117 C VAL A 70 9.012 -0.198 3.801 1.00 9.22 C ATOM 1118 O VAL A 70 8.675 -1.121 3.061 1.00 9.36 O ATOM 1119 CB VAL A 70 8.199 -0.806 6.060 1.00 8.69 C ATOM 1120 CG1 VAL A 70 9.610 -1.292 6.431 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.499 -0.261 7.316 1.00 8.54 C ATOM 0 H VAL A 70 6.396 -0.364 4.183 1.00 4.29 H new ATOM 0 HA VAL A 70 8.607 1.139 5.340 1.00 6.26 H new ATOM 0 HB VAL A 70 7.664 -1.671 5.668 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.542 -2.027 7.233 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.079 -1.748 5.559 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.210 -0.446 6.765 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.527 -1.014 8.104 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.011 0.640 7.656 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.462 -0.022 7.080 1.00 8.54 H new ATOM 1131 N LEU A 71 10.112 0.541 3.569 1.00 12.71 N ATOM 1132 CA LEU A 71 10.995 0.228 2.489 1.00 16.06 C ATOM 1133 C LEU A 71 12.099 -0.606 3.041 1.00 18.09 C ATOM 1134 O LEU A 71 12.553 -0.474 4.177 1.00 19.26 O ATOM 1135 CB LEU A 71 11.443 1.482 1.720 1.00 17.10 C ATOM 1136 CG LEU A 71 10.362 2.393 1.115 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.882 3.680 0.452 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.338 1.634 0.255 1.00 17.51 C ATOM 0 H LEU A 71 10.389 1.350 4.125 1.00 12.71 H new ATOM 0 HA LEU A 71 10.486 -0.354 1.721 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.048 2.087 2.395 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.097 1.159 0.910 1.00 17.10 H new ATOM 0 HG LEU A 71 9.815 2.757 1.985 1.00 19.37 H new ATOM 0 HD11 LEU A 71 10.042 4.251 0.057 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.414 4.280 1.190 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.559 3.422 -0.362 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.604 2.336 -0.141 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.851 1.141 -0.571 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.832 0.887 0.866 1.00 17.51 H new