USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 166:sc= -1.41 (180deg=-1.77) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.036 (180deg=-0.394) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.3!) USER MOD Single : A 9 SER OG : rot 105:sc= 0.378 USER MOD Single : A 20 THR OG1 : rot 27:sc= 0.25 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot -39:sc= 1.26 USER MOD Single : A 24 ASN : amide:sc= -0.0923 X(o=-0.092,f=-0.014) USER MOD Single : A 31 ASN : amide:sc=-0.00832 K(o=-0.0083,f=-1.3) USER MOD Single : A 33 SER OG : rot 59:sc= 1.24 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -0.0871 (180deg=-0.753) USER MOD Single : A 38 SER OG : rot 27:sc= 0.105 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0723 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -120:sc= -1.36 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -43:sc= 0.962 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.914 F(o=-2.1,f=-0.91) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.984 6.708 -6.669 1.00 0.00 N ATOM 2 CA MET A 1 -4.108 5.405 -5.965 1.00 0.00 C ATOM 3 C MET A 1 -4.212 5.600 -4.457 1.00 0.00 C ATOM 4 O MET A 1 -3.690 6.572 -3.910 1.00 0.00 O ATOM 5 CB MET A 1 -2.886 4.549 -6.303 1.00 0.00 C ATOM 6 CG MET A 1 -3.190 3.061 -6.385 1.00 0.00 C ATOM 7 SD MET A 1 -2.865 2.370 -8.019 1.00 0.00 S ATOM 8 CE MET A 1 -2.111 0.805 -7.582 1.00 0.00 C ATOM 0 H1 MET A 1 -3.248 6.639 -7.401 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.893 6.950 -7.113 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.724 7.448 -5.986 1.00 0.00 H new ATOM 0 HA MET A 1 -5.019 4.907 -6.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.473 4.880 -7.256 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.117 4.713 -5.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.590 2.531 -5.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.236 2.894 -6.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.080 0.159 -8.459 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.097 0.978 -7.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.697 0.325 -6.798 1.00 0.00 H new ATOM 20 N ARG A 2 -4.887 4.670 -3.789 1.00 0.00 N ATOM 21 CA ARG A 2 -5.058 4.739 -2.342 1.00 0.00 C ATOM 22 C ARG A 2 -4.400 3.542 -1.662 1.00 0.00 C ATOM 23 O ARG A 2 -4.289 2.468 -2.250 1.00 0.00 O ATOM 24 CB ARG A 2 -6.544 4.792 -1.986 1.00 0.00 C ATOM 25 CG ARG A 2 -7.325 5.825 -2.781 1.00 0.00 C ATOM 26 CD ARG A 2 -8.789 5.440 -2.911 1.00 0.00 C ATOM 27 NE ARG A 2 -9.661 6.612 -2.955 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.942 6.570 -3.317 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.503 5.418 -3.666 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.665 7.681 -3.330 1.00 0.00 N ATOM 0 H ARG A 2 -5.325 3.859 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.575 5.648 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.984 3.809 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.647 5.011 -0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.246 6.797 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.886 5.929 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.930 4.849 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.074 4.808 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.265 7.515 -2.693 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.952 4.559 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.485 5.392 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.240 8.569 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.646 7.648 -3.607 1.00 0.00 H new ATOM 44 N ILE A 3 -3.968 3.735 -0.420 1.00 0.00 N ATOM 45 CA ILE A 3 -3.320 2.673 0.345 1.00 0.00 C ATOM 46 C ILE A 3 -4.129 1.378 0.304 1.00 0.00 C ATOM 47 O ILE A 3 -3.576 0.286 0.437 1.00 0.00 O ATOM 48 CB ILE A 3 -3.105 3.095 1.811 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.293 2.029 2.559 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.440 3.368 2.496 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.112 0.854 3.060 1.00 0.00 C ATOM 0 H ILE A 3 -4.055 4.620 0.080 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.351 2.495 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.534 4.023 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.511 1.655 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.796 2.498 3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.264 3.664 3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.961 4.170 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.051 2.465 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.460 0.150 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.877 1.211 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.588 0.356 2.215 1.00 0.00 H new ATOM 63 N ASP A 4 -5.438 1.506 0.122 1.00 0.00 N ATOM 64 CA ASP A 4 -6.314 0.341 0.068 1.00 0.00 C ATOM 65 C ASP A 4 -6.071 -0.474 -1.199 1.00 0.00 C ATOM 66 O ASP A 4 -5.806 -1.670 -1.133 1.00 0.00 O ATOM 67 CB ASP A 4 -7.783 0.769 0.144 1.00 0.00 C ATOM 68 CG ASP A 4 -8.103 1.927 -0.780 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.435 1.674 -1.957 1.00 0.00 O ATOM 70 OD2 ASP A 4 -8.021 3.088 -0.326 1.00 0.00 O ATOM 0 H ASP A 4 -5.915 2.401 0.010 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.084 -0.288 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.418 -0.080 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.023 1.051 1.169 1.00 0.00 H new ATOM 75 N LYS A 5 -6.170 0.177 -2.353 1.00 0.00 N ATOM 76 CA LYS A 5 -5.966 -0.496 -3.635 1.00 0.00 C ATOM 77 C LYS A 5 -4.507 -0.437 -4.091 1.00 0.00 C ATOM 78 O LYS A 5 -4.154 -1.005 -5.125 1.00 0.00 O ATOM 79 CB LYS A 5 -6.867 0.127 -4.703 1.00 0.00 C ATOM 80 CG LYS A 5 -8.248 -0.504 -4.778 1.00 0.00 C ATOM 81 CD LYS A 5 -9.212 0.358 -5.578 1.00 0.00 C ATOM 82 CE LYS A 5 -10.655 0.104 -5.173 1.00 0.00 C ATOM 83 NZ LYS A 5 -11.163 1.147 -4.241 1.00 0.00 N ATOM 0 H LYS A 5 -6.390 1.170 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.227 -1.545 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.974 1.192 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.382 0.035 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.174 -1.490 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.638 -0.649 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.971 1.410 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.090 0.151 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.282 0.077 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.732 -0.875 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.150 0.937 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.581 1.156 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.114 2.078 -4.702 1.00 0.00 H new ATOM 97 N PHE A 6 -3.667 0.271 -3.341 1.00 0.00 N ATOM 98 CA PHE A 6 -2.258 0.418 -3.702 1.00 0.00 C ATOM 99 C PHE A 6 -1.440 -0.829 -3.370 1.00 0.00 C ATOM 100 O PHE A 6 -0.957 -1.520 -4.267 1.00 0.00 O ATOM 101 CB PHE A 6 -1.658 1.634 -2.994 1.00 0.00 C ATOM 102 CG PHE A 6 -0.253 1.944 -3.426 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.067 2.033 -4.772 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.746 2.147 -2.488 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.358 2.319 -5.174 1.00 0.00 C ATOM 106 CE2 PHE A 6 2.039 2.432 -2.885 1.00 0.00 C ATOM 107 CZ PHE A 6 2.345 2.519 -4.229 1.00 0.00 C ATOM 0 H PHE A 6 -3.935 0.751 -2.482 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.216 0.560 -4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.288 2.503 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.669 1.461 -1.918 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.701 1.877 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.512 2.082 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.595 2.386 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.810 2.587 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.355 2.743 -4.540 1.00 0.00 H new ATOM 117 N LEU A 7 -1.264 -1.097 -2.081 1.00 0.00 N ATOM 118 CA LEU A 7 -0.478 -2.247 -1.639 1.00 0.00 C ATOM 119 C LEU A 7 -1.266 -3.549 -1.733 1.00 0.00 C ATOM 120 O LEU A 7 -0.698 -4.634 -1.628 1.00 0.00 O ATOM 121 CB LEU A 7 0.009 -2.031 -0.205 1.00 0.00 C ATOM 122 CG LEU A 7 -1.095 -1.857 0.840 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.681 -3.205 1.229 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.554 -1.138 2.066 1.00 0.00 C ATOM 0 H LEU A 7 -1.653 -0.536 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 7 0.379 -2.333 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.629 -2.880 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.648 -1.148 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.890 -1.251 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.464 -3.060 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.103 -3.687 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.896 -3.836 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.351 -1.021 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.258 -1.721 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.181 -0.156 1.777 1.00 0.00 H new ATOM 136 N GLN A 8 -2.573 -3.440 -1.927 1.00 0.00 N ATOM 137 CA GLN A 8 -3.425 -4.616 -2.031 1.00 0.00 C ATOM 138 C GLN A 8 -3.542 -5.090 -3.479 1.00 0.00 C ATOM 139 O GLN A 8 -3.894 -6.240 -3.737 1.00 0.00 O ATOM 140 CB GLN A 8 -4.808 -4.308 -1.466 1.00 0.00 C ATOM 141 CG GLN A 8 -4.779 -3.865 -0.011 1.00 0.00 C ATOM 142 CD GLN A 8 -6.159 -3.834 0.616 1.00 0.00 C ATOM 143 OE1 GLN A 8 -7.143 -3.483 -0.036 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.239 -4.204 1.889 1.00 0.00 N ATOM 0 H GLN A 8 -3.065 -2.551 -2.015 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.969 -5.418 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.273 -3.526 -2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.435 -5.195 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.140 -4.541 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.332 -2.873 0.054 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.398 -4.488 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.142 -4.205 2.364 1.00 0.00 H new ATOM 153 N SER A 9 -3.245 -4.198 -4.421 1.00 0.00 N ATOM 154 CA SER A 9 -3.319 -4.531 -5.839 1.00 0.00 C ATOM 155 C SER A 9 -1.970 -5.022 -6.355 1.00 0.00 C ATOM 156 O SER A 9 -1.904 -5.940 -7.173 1.00 0.00 O ATOM 157 CB SER A 9 -3.772 -3.315 -6.647 1.00 0.00 C ATOM 158 OG SER A 9 -5.108 -2.960 -6.331 1.00 0.00 O ATOM 0 H SER A 9 -2.951 -3.241 -4.227 1.00 0.00 H new ATOM 0 HA SER A 9 -4.048 -5.332 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.111 -2.473 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.693 -3.532 -7.712 1.00 0.00 H new ATOM 0 HG SER A 9 -5.109 -2.156 -5.770 1.00 0.00 H new ATOM 164 N VAL A 10 -0.898 -4.402 -5.874 1.00 0.00 N ATOM 165 CA VAL A 10 0.453 -4.770 -6.287 1.00 0.00 C ATOM 166 C VAL A 10 0.698 -6.268 -6.120 1.00 0.00 C ATOM 167 O VAL A 10 1.500 -6.860 -6.844 1.00 0.00 O ATOM 168 CB VAL A 10 1.516 -3.997 -5.485 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.497 -2.523 -5.856 1.00 0.00 C ATOM 170 CG2 VAL A 10 1.297 -4.182 -3.991 1.00 0.00 C ATOM 0 H VAL A 10 -0.938 -3.641 -5.196 1.00 0.00 H new ATOM 0 HA VAL A 10 0.539 -4.508 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 10 2.498 -4.398 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.255 -1.993 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.708 -2.413 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.515 -2.105 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.058 -3.629 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.309 -3.810 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.367 -5.241 -3.741 1.00 0.00 H new ATOM 180 N GLY A 11 0.005 -6.873 -5.162 1.00 0.00 N ATOM 181 CA GLY A 11 0.163 -8.296 -4.919 1.00 0.00 C ATOM 182 C GLY A 11 0.783 -8.588 -3.568 1.00 0.00 C ATOM 183 O GLY A 11 1.657 -9.446 -3.451 1.00 0.00 O ATOM 0 H GLY A 11 -0.663 -6.405 -4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.811 -8.782 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.786 -8.728 -5.702 1.00 0.00 H new ATOM 187 N LEU A 12 0.327 -7.874 -2.544 1.00 0.00 N ATOM 188 CA LEU A 12 0.838 -8.060 -1.193 1.00 0.00 C ATOM 189 C LEU A 12 -0.265 -8.556 -0.268 1.00 0.00 C ATOM 190 O LEU A 12 -0.060 -9.469 0.531 1.00 0.00 O ATOM 191 CB LEU A 12 1.416 -6.745 -0.663 1.00 0.00 C ATOM 192 CG LEU A 12 2.943 -6.666 -0.643 1.00 0.00 C ATOM 193 CD1 LEU A 12 3.406 -5.238 -0.886 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.486 -7.189 0.678 1.00 0.00 C ATOM 0 H LEU A 12 -0.397 -7.160 -2.626 1.00 0.00 H new ATOM 0 HA LEU A 12 1.629 -8.809 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.034 -5.927 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.047 -6.587 0.350 1.00 0.00 H new ATOM 0 HG LEU A 12 3.332 -7.293 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.495 -5.201 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.047 -4.900 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.008 -4.589 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.574 -7.125 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.090 -6.589 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.184 -8.228 0.810 1.00 0.00 H new ATOM 206 N VAL A 13 -1.441 -7.948 -0.387 1.00 0.00 N ATOM 207 CA VAL A 13 -2.584 -8.325 0.435 1.00 0.00 C ATOM 208 C VAL A 13 -3.702 -8.914 -0.419 1.00 0.00 C ATOM 209 O VAL A 13 -4.641 -8.215 -0.798 1.00 0.00 O ATOM 210 CB VAL A 13 -3.133 -7.117 1.216 1.00 0.00 C ATOM 211 CG1 VAL A 13 -4.200 -7.560 2.202 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.007 -6.385 1.930 1.00 0.00 C ATOM 0 H VAL A 13 -1.627 -7.192 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.234 -9.078 1.141 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.590 -6.427 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.576 -6.693 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.020 -8.034 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.771 -8.271 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.415 -5.535 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.517 -7.064 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.281 -6.032 1.198 1.00 0.00 H new ATOM 337 N THR A 20 -12.123 -3.159 4.359 1.00 0.00 N ATOM 338 CA THR A 20 -10.711 -3.143 4.722 1.00 0.00 C ATOM 339 C THR A 20 -10.540 -2.982 6.230 1.00 0.00 C ATOM 340 O THR A 20 -10.756 -1.901 6.777 1.00 0.00 O ATOM 341 CB THR A 20 -9.988 -2.011 3.991 1.00 0.00 C ATOM 342 OG1 THR A 20 -10.310 -2.020 2.611 1.00 0.00 O ATOM 343 CG2 THR A 20 -8.481 -2.086 4.111 1.00 0.00 C ATOM 0 HA THR A 20 -10.273 -4.096 4.424 1.00 0.00 H new ATOM 0 HB THR A 20 -10.329 -1.094 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.192 -2.428 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.031 -1.254 3.570 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.197 -2.032 5.162 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.129 -3.027 3.688 1.00 0.00 H new ATOM 351 N ASP A 21 -10.152 -4.065 6.896 1.00 0.00 N ATOM 352 CA ASP A 21 -9.953 -4.044 8.340 1.00 0.00 C ATOM 353 C ASP A 21 -8.637 -3.361 8.707 1.00 0.00 C ATOM 354 O ASP A 21 -8.447 -2.936 9.845 1.00 0.00 O ATOM 355 CB ASP A 21 -9.972 -5.469 8.898 1.00 0.00 C ATOM 356 CG ASP A 21 -11.362 -6.074 8.891 1.00 0.00 C ATOM 357 OD1 ASP A 21 -12.220 -5.583 8.127 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.593 -7.039 9.650 1.00 0.00 O ATOM 0 H ASP A 21 -9.969 -4.968 6.458 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.770 -3.473 8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.303 -6.096 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.587 -5.462 9.918 1.00 0.00 H new ATOM 363 N MET A 22 -7.730 -3.262 7.739 1.00 0.00 N ATOM 364 CA MET A 22 -6.434 -2.635 7.968 1.00 0.00 C ATOM 365 C MET A 22 -6.594 -1.199 8.463 1.00 0.00 C ATOM 366 O MET A 22 -5.960 -0.794 9.437 1.00 0.00 O ATOM 367 CB MET A 22 -5.603 -2.653 6.684 1.00 0.00 C ATOM 368 CG MET A 22 -4.978 -4.006 6.384 1.00 0.00 C ATOM 369 SD MET A 22 -3.900 -3.968 4.939 1.00 0.00 S ATOM 370 CE MET A 22 -2.518 -4.946 5.523 1.00 0.00 C ATOM 0 H MET A 22 -7.869 -3.608 6.790 1.00 0.00 H new ATOM 0 HA MET A 22 -5.917 -3.206 8.739 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.237 -2.361 5.847 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.813 -1.906 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.406 -4.338 7.251 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.768 -4.739 6.224 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.764 -5.015 4.739 1.00 0.00 H new ATOM 0 HE2 MET A 22 -2.084 -4.473 6.404 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.864 -5.946 5.782 1.00 0.00 H new ATOM 380 N CYS A 23 -7.444 -0.434 7.785 1.00 0.00 N ATOM 381 CA CYS A 23 -7.683 0.957 8.157 1.00 0.00 C ATOM 382 C CYS A 23 -8.276 1.058 9.560 1.00 0.00 C ATOM 383 O CYS A 23 -8.113 2.071 10.240 1.00 0.00 O ATOM 384 CB CYS A 23 -8.616 1.625 7.144 1.00 0.00 C ATOM 385 SG CYS A 23 -10.296 0.955 7.129 1.00 0.00 S ATOM 0 H CYS A 23 -7.978 -0.753 6.977 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.724 1.475 8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.664 2.692 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.186 1.521 6.148 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.250 -0.336 7.278 1.00 0.00 H new ATOM 391 N ASN A 24 -8.966 0.004 9.988 1.00 0.00 N ATOM 392 CA ASN A 24 -9.583 -0.019 11.310 1.00 0.00 C ATOM 393 C ASN A 24 -8.607 -0.541 12.362 1.00 0.00 C ATOM 394 O ASN A 24 -8.369 0.110 13.379 1.00 0.00 O ATOM 395 CB ASN A 24 -10.846 -0.884 11.289 1.00 0.00 C ATOM 396 CG ASN A 24 -12.086 -0.107 11.687 1.00 0.00 C ATOM 397 OD1 ASN A 24 -13.101 -0.136 10.991 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.010 0.594 12.813 1.00 0.00 N ATOM 0 H ASN A 24 -9.111 -0.844 9.439 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.855 1.003 11.575 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.984 -1.296 10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.716 -1.728 11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.813 1.136 13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.149 0.590 13.359 1.00 0.00 H new ATOM 405 N VAL A 25 -8.049 -1.721 12.111 1.00 0.00 N ATOM 406 CA VAL A 25 -7.101 -2.333 13.037 1.00 0.00 C ATOM 407 C VAL A 25 -5.920 -1.408 13.313 1.00 0.00 C ATOM 408 O VAL A 25 -5.365 -1.406 14.411 1.00 0.00 O ATOM 409 CB VAL A 25 -6.574 -3.677 12.495 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.717 -4.662 12.305 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.819 -3.469 11.191 1.00 0.00 C ATOM 0 H VAL A 25 -8.237 -2.273 11.274 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.640 -2.511 13.967 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.882 -4.095 13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.325 -5.604 11.922 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.210 -4.836 13.261 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.436 -4.253 11.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.455 -4.429 10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.486 -3.027 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.974 -2.802 11.362 1.00 0.00 H new ATOM 421 N GLY A 26 -5.542 -0.623 12.308 1.00 0.00 N ATOM 422 CA GLY A 26 -4.430 0.296 12.464 1.00 0.00 C ATOM 423 C GLY A 26 -3.265 -0.037 11.550 1.00 0.00 C ATOM 424 O GLY A 26 -2.126 0.345 11.824 1.00 0.00 O ATOM 0 H GLY A 26 -5.986 -0.607 11.390 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.770 1.311 12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.091 0.278 13.500 1.00 0.00 H new ATOM 428 N ALA A 27 -3.546 -0.746 10.461 1.00 0.00 N ATOM 429 CA ALA A 27 -2.511 -1.123 9.507 1.00 0.00 C ATOM 430 C ALA A 27 -2.491 -0.170 8.316 1.00 0.00 C ATOM 431 O ALA A 27 -2.131 -0.556 7.204 1.00 0.00 O ATOM 432 CB ALA A 27 -2.724 -2.554 9.036 1.00 0.00 C ATOM 0 H ALA A 27 -4.482 -1.071 10.218 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.546 -1.057 10.009 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.944 -2.823 8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.682 -3.229 9.891 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.699 -2.638 8.555 1.00 0.00 H new ATOM 438 N VAL A 28 -2.880 1.078 8.558 1.00 0.00 N ATOM 439 CA VAL A 28 -2.909 2.089 7.508 1.00 0.00 C ATOM 440 C VAL A 28 -2.363 3.419 8.017 1.00 0.00 C ATOM 441 O VAL A 28 -3.011 4.106 8.805 1.00 0.00 O ATOM 442 CB VAL A 28 -4.339 2.299 6.974 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.352 3.330 5.855 1.00 0.00 C ATOM 444 CG2 VAL A 28 -4.928 0.979 6.497 1.00 0.00 C ATOM 0 H VAL A 28 -3.180 1.413 9.474 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.278 1.728 6.696 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.957 2.677 7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.372 3.462 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.975 4.281 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.719 2.987 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.938 1.145 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.308 0.571 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.960 0.274 7.327 1.00 0.00 H new ATOM 454 N TRP A 29 -1.167 3.774 7.560 1.00 0.00 N ATOM 455 CA TRP A 29 -0.534 5.022 7.969 1.00 0.00 C ATOM 456 C TRP A 29 0.165 5.688 6.789 1.00 0.00 C ATOM 457 O TRP A 29 1.180 5.197 6.297 1.00 0.00 O ATOM 458 CB TRP A 29 0.472 4.765 9.094 1.00 0.00 C ATOM 459 CG TRP A 29 -0.168 4.629 10.442 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.038 3.656 10.841 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.011 5.495 11.568 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.412 3.863 12.147 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.781 4.986 12.615 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.763 6.651 11.794 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.841 5.593 13.867 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.703 7.253 13.037 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.094 6.722 14.060 1.00 0.00 C ATOM 0 H TRP A 29 -0.617 3.216 6.907 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.312 5.692 8.334 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.031 3.856 8.872 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.192 5.583 9.122 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.382 2.842 10.221 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.054 3.277 12.681 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.380 7.067 11.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.455 5.187 14.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.280 8.147 13.223 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.119 7.215 15.021 1.00 0.00 H new ATOM 478 N LEU A 30 -0.388 6.810 6.341 1.00 0.00 N ATOM 479 CA LEU A 30 0.181 7.546 5.217 1.00 0.00 C ATOM 480 C LEU A 30 1.050 8.700 5.704 1.00 0.00 C ATOM 481 O LEU A 30 0.583 9.578 6.429 1.00 0.00 O ATOM 482 CB LEU A 30 -0.934 8.079 4.314 1.00 0.00 C ATOM 483 CG LEU A 30 -0.562 8.216 2.837 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.808 8.169 1.966 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.207 9.507 2.598 1.00 0.00 C ATOM 0 H LEU A 30 -1.229 7.230 6.738 1.00 0.00 H new ATOM 0 HA LEU A 30 0.807 6.860 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.795 7.416 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.247 9.055 4.686 1.00 0.00 H new ATOM 0 HG LEU A 30 0.079 7.378 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.524 8.268 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.320 7.218 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.474 8.987 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.463 9.588 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.411 10.357 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.120 9.502 3.194 1.00 0.00 H new ATOM 497 N ASN A 31 2.316 8.695 5.298 1.00 0.00 N ATOM 498 CA ASN A 31 3.251 9.744 5.691 1.00 0.00 C ATOM 499 C ASN A 31 3.368 9.833 7.209 1.00 0.00 C ATOM 500 O ASN A 31 3.514 10.920 7.768 1.00 0.00 O ATOM 501 CB ASN A 31 2.803 11.092 5.123 1.00 0.00 C ATOM 502 CG ASN A 31 3.956 12.064 4.963 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.990 11.932 5.617 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.783 13.047 4.087 1.00 0.00 N ATOM 0 H ASN A 31 2.718 7.976 4.697 1.00 0.00 H new ATOM 0 HA ASN A 31 4.231 9.492 5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.327 10.935 4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.052 11.529 5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.524 13.731 3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.909 13.118 3.566 1.00 0.00 H new ATOM 511 N GLY A 32 3.303 8.682 7.872 1.00 0.00 N ATOM 512 CA GLY A 32 3.407 8.653 9.320 1.00 0.00 C ATOM 513 C GLY A 32 2.173 9.210 10.002 1.00 0.00 C ATOM 514 O GLY A 32 2.277 9.947 10.983 1.00 0.00 O ATOM 0 H GLY A 32 3.180 7.770 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.568 7.626 9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.280 9.227 9.630 1.00 0.00 H new ATOM 518 N SER A 33 1.001 8.855 9.486 1.00 0.00 N ATOM 519 CA SER A 33 -0.258 9.323 10.055 1.00 0.00 C ATOM 520 C SER A 33 -1.401 8.381 9.690 1.00 0.00 C ATOM 521 O SER A 33 -1.479 7.891 8.564 1.00 0.00 O ATOM 522 CB SER A 33 -0.571 10.740 9.567 1.00 0.00 C ATOM 523 OG SER A 33 0.147 11.043 8.384 1.00 0.00 O ATOM 0 H SER A 33 0.897 8.245 8.675 1.00 0.00 H new ATOM 0 HA SER A 33 -0.154 9.338 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.641 10.836 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.317 11.460 10.345 1.00 0.00 H new ATOM 0 HG SER A 33 -0.082 10.394 7.687 1.00 0.00 H new ATOM 529 N CYS A 34 -2.287 8.132 10.651 1.00 0.00 N ATOM 530 CA CYS A 34 -3.427 7.248 10.431 1.00 0.00 C ATOM 531 C CYS A 34 -4.236 7.688 9.215 1.00 0.00 C ATOM 532 O CYS A 34 -4.562 8.865 9.068 1.00 0.00 O ATOM 533 CB CYS A 34 -4.322 7.220 11.672 1.00 0.00 C ATOM 534 SG CYS A 34 -5.043 5.599 12.025 1.00 0.00 S ATOM 0 H CYS A 34 -2.237 8.530 11.589 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.045 6.245 10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.739 7.542 12.535 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.127 7.944 11.543 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.781 5.675 13.093 1.00 0.00 H new ATOM 540 N ALA A 35 -4.556 6.734 8.348 1.00 0.00 N ATOM 541 CA ALA A 35 -5.326 7.021 7.145 1.00 0.00 C ATOM 542 C ALA A 35 -6.412 5.973 6.925 1.00 0.00 C ATOM 543 O ALA A 35 -6.242 4.806 7.277 1.00 0.00 O ATOM 544 CB ALA A 35 -4.407 7.093 5.935 1.00 0.00 C ATOM 0 H ALA A 35 -4.293 5.754 8.457 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.812 7.988 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.996 7.308 5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.671 7.883 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.894 6.139 5.810 1.00 0.00 H new ATOM 550 N LYS A 36 -7.527 6.397 6.339 1.00 0.00 N ATOM 551 CA LYS A 36 -8.640 5.493 6.073 1.00 0.00 C ATOM 552 C LYS A 36 -8.355 4.626 4.851 1.00 0.00 C ATOM 553 O LYS A 36 -7.227 4.579 4.359 1.00 0.00 O ATOM 554 CB LYS A 36 -9.930 6.289 5.863 1.00 0.00 C ATOM 555 CG LYS A 36 -11.157 5.627 6.474 1.00 0.00 C ATOM 556 CD LYS A 36 -11.790 6.499 7.546 1.00 0.00 C ATOM 557 CE LYS A 36 -12.227 5.677 8.747 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.943 4.435 8.341 1.00 0.00 N ATOM 0 H LYS A 36 -7.684 7.359 6.040 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.762 4.840 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.809 7.282 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.094 6.425 4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.888 5.423 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.876 4.666 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.078 7.260 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.651 7.022 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.354 5.414 9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.877 6.279 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.623 4.168 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.451 4.603 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.256 3.666 8.209 1.00 0.00 H new ATOM 572 N ALA A 37 -9.385 3.941 4.365 1.00 0.00 N ATOM 573 CA ALA A 37 -9.247 3.075 3.201 1.00 0.00 C ATOM 574 C ALA A 37 -9.699 3.786 1.929 1.00 0.00 C ATOM 575 O ALA A 37 -10.143 3.147 0.975 1.00 0.00 O ATOM 576 CB ALA A 37 -10.042 1.794 3.402 1.00 0.00 C ATOM 0 H ALA A 37 -10.325 3.969 4.760 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.192 2.823 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.931 1.155 2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.671 1.270 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.095 2.038 3.542 1.00 0.00 H new ATOM 582 N SER A 38 -9.581 5.109 1.921 1.00 0.00 N ATOM 583 CA SER A 38 -9.977 5.905 0.765 1.00 0.00 C ATOM 584 C SER A 38 -9.103 7.148 0.636 1.00 0.00 C ATOM 585 O SER A 38 -9.539 8.171 0.111 1.00 0.00 O ATOM 586 CB SER A 38 -11.446 6.312 0.877 1.00 0.00 C ATOM 587 OG SER A 38 -12.296 5.317 0.334 1.00 0.00 O ATOM 0 H SER A 38 -9.214 5.653 2.702 1.00 0.00 H new ATOM 0 HA SER A 38 -9.844 5.293 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.701 6.480 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.606 7.255 0.354 1.00 0.00 H new ATOM 0 HG SER A 38 -11.857 4.443 0.395 1.00 0.00 H new ATOM 593 N LYS A 39 -7.870 7.052 1.121 1.00 0.00 N ATOM 594 CA LYS A 39 -6.940 8.172 1.060 1.00 0.00 C ATOM 595 C LYS A 39 -5.909 7.964 -0.045 1.00 0.00 C ATOM 596 O LYS A 39 -5.128 7.014 -0.008 1.00 0.00 O ATOM 597 CB LYS A 39 -6.234 8.352 2.405 1.00 0.00 C ATOM 598 CG LYS A 39 -5.436 9.642 2.505 1.00 0.00 C ATOM 599 CD LYS A 39 -5.048 9.948 3.943 1.00 0.00 C ATOM 600 CE LYS A 39 -4.829 11.436 4.156 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.731 11.704 5.127 1.00 0.00 N ATOM 0 H LYS A 39 -7.493 6.212 1.560 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.511 9.073 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.977 8.332 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.566 7.507 2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.537 9.563 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.024 10.467 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.830 9.594 4.615 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.138 9.405 4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.593 11.908 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.752 11.890 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.614 12.731 5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.967 11.276 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.845 11.293 4.771 1.00 0.00 H new ATOM 615 N GLU A 40 -5.914 8.857 -1.029 1.00 0.00 N ATOM 616 CA GLU A 40 -4.979 8.771 -2.145 1.00 0.00 C ATOM 617 C GLU A 40 -3.549 9.032 -1.680 1.00 0.00 C ATOM 618 O GLU A 40 -3.308 9.900 -0.842 1.00 0.00 O ATOM 619 CB GLU A 40 -5.362 9.768 -3.240 1.00 0.00 C ATOM 620 CG GLU A 40 -6.254 9.174 -4.318 1.00 0.00 C ATOM 621 CD GLU A 40 -7.337 10.131 -4.773 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.973 10.763 -3.903 1.00 0.00 O ATOM 623 OE2 GLU A 40 -7.549 10.250 -5.997 1.00 0.00 O ATOM 0 H GLU A 40 -6.555 9.649 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.031 7.761 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.872 10.617 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.454 10.153 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.642 8.890 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.716 8.262 -3.940 1.00 0.00 H new ATOM 630 N VAL A 41 -2.607 8.275 -2.231 1.00 0.00 N ATOM 631 CA VAL A 41 -1.202 8.423 -1.874 1.00 0.00 C ATOM 632 C VAL A 41 -0.461 9.277 -2.896 1.00 0.00 C ATOM 633 O VAL A 41 -1.028 9.679 -3.912 1.00 0.00 O ATOM 634 CB VAL A 41 -0.504 7.055 -1.764 1.00 0.00 C ATOM 635 CG1 VAL A 41 -0.976 6.311 -0.524 1.00 0.00 C ATOM 636 CG2 VAL A 41 -0.750 6.228 -3.017 1.00 0.00 C ATOM 0 H VAL A 41 -2.791 7.552 -2.927 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.174 8.917 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 41 0.569 7.222 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.471 5.347 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.742 6.899 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.053 6.154 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.249 5.265 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.821 6.069 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.356 6.757 -3.885 1.00 0.00 H new ATOM 646 N LYS A 42 0.810 9.551 -2.621 1.00 0.00 N ATOM 647 CA LYS A 42 1.629 10.358 -3.518 1.00 0.00 C ATOM 648 C LYS A 42 2.997 9.716 -3.730 1.00 0.00 C ATOM 649 O LYS A 42 3.421 8.861 -2.952 1.00 0.00 O ATOM 650 CB LYS A 42 1.797 11.770 -2.955 1.00 0.00 C ATOM 651 CG LYS A 42 0.570 12.648 -3.139 1.00 0.00 C ATOM 652 CD LYS A 42 0.929 14.123 -3.090 1.00 0.00 C ATOM 653 CE LYS A 42 0.758 14.692 -1.690 1.00 0.00 C ATOM 654 NZ LYS A 42 -0.575 15.330 -1.508 1.00 0.00 N ATOM 0 H LYS A 42 1.295 9.226 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 42 1.122 10.416 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.030 11.703 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.650 12.246 -3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.097 12.419 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.159 12.424 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.960 14.259 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.299 14.675 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.882 13.895 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.541 15.426 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.651 15.705 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.684 16.107 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.322 14.624 -1.665 1.00 0.00 H new ATOM 668 N ALA A 43 3.684 10.136 -4.788 1.00 0.00 N ATOM 669 CA ALA A 43 5.003 9.604 -5.102 1.00 0.00 C ATOM 670 C ALA A 43 6.028 10.022 -4.054 1.00 0.00 C ATOM 671 O ALA A 43 5.891 11.068 -3.420 1.00 0.00 O ATOM 672 CB ALA A 43 5.442 10.065 -6.485 1.00 0.00 C ATOM 0 H ALA A 43 3.348 10.843 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 43 4.939 8.516 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.429 9.660 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.729 9.711 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.482 11.154 -6.510 1.00 0.00 H new ATOM 678 N GLY A 44 7.055 9.198 -3.875 1.00 0.00 N ATOM 679 CA GLY A 44 8.089 9.499 -2.902 1.00 0.00 C ATOM 680 C GLY A 44 7.535 9.658 -1.500 1.00 0.00 C ATOM 681 O GLY A 44 7.970 10.531 -0.749 1.00 0.00 O ATOM 0 H GLY A 44 7.190 8.326 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.832 8.702 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.602 10.416 -3.193 1.00 0.00 H new ATOM 685 N ASP A 45 6.571 8.813 -1.148 1.00 0.00 N ATOM 686 CA ASP A 45 5.956 8.862 0.173 1.00 0.00 C ATOM 687 C ASP A 45 6.222 7.576 0.948 1.00 0.00 C ATOM 688 O ASP A 45 6.774 6.617 0.407 1.00 0.00 O ATOM 689 CB ASP A 45 4.448 9.092 0.047 1.00 0.00 C ATOM 690 CG ASP A 45 3.906 9.989 1.141 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.948 9.579 2.320 1.00 0.00 O ATOM 692 OD2 ASP A 45 3.441 11.102 0.819 1.00 0.00 O ATOM 0 H ASP A 45 6.199 8.086 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 45 6.400 9.692 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.231 9.537 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.933 8.132 0.080 1.00 0.00 H new ATOM 697 N THR A 46 5.828 7.562 2.217 1.00 0.00 N ATOM 698 CA THR A 46 6.026 6.394 3.067 1.00 0.00 C ATOM 699 C THR A 46 4.715 5.641 3.271 1.00 0.00 C ATOM 700 O THR A 46 3.643 6.245 3.339 1.00 0.00 O ATOM 701 CB THR A 46 6.603 6.816 4.419 1.00 0.00 C ATOM 702 OG1 THR A 46 7.826 7.511 4.247 1.00 0.00 O ATOM 703 CG2 THR A 46 6.862 5.652 5.348 1.00 0.00 C ATOM 0 H THR A 46 5.369 8.347 2.680 1.00 0.00 H new ATOM 0 HA THR A 46 6.732 5.728 2.571 1.00 0.00 H new ATOM 0 HB THR A 46 5.845 7.457 4.870 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.179 7.774 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.271 6.021 6.289 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.927 5.125 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.575 4.969 4.886 1.00 0.00 H new ATOM 711 N ILE A 47 4.808 4.320 3.370 1.00 0.00 N ATOM 712 CA ILE A 47 3.631 3.481 3.569 1.00 0.00 C ATOM 713 C ILE A 47 3.848 2.499 4.716 1.00 0.00 C ATOM 714 O ILE A 47 4.488 1.462 4.546 1.00 0.00 O ATOM 715 CB ILE A 47 3.280 2.700 2.285 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.997 3.670 1.137 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.081 1.789 2.520 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.772 4.529 1.361 1.00 0.00 C ATOM 0 H ILE A 47 5.687 3.806 3.316 1.00 0.00 H new ATOM 0 HA ILE A 47 2.801 4.142 3.818 1.00 0.00 H new ATOM 0 HB ILE A 47 4.133 2.078 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.863 4.316 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.869 3.102 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.850 1.248 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.314 1.078 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.220 2.389 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.632 5.193 0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.895 3.891 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.905 5.124 2.265 1.00 0.00 H new ATOM 730 N SER A 48 3.309 2.833 5.884 1.00 0.00 N ATOM 731 CA SER A 48 3.444 1.979 7.059 1.00 0.00 C ATOM 732 C SER A 48 2.379 0.888 7.064 1.00 0.00 C ATOM 733 O SER A 48 1.302 1.054 6.493 1.00 0.00 O ATOM 734 CB SER A 48 3.345 2.815 8.337 1.00 0.00 C ATOM 735 OG SER A 48 4.630 3.098 8.863 1.00 0.00 O ATOM 0 H SER A 48 2.775 3.688 6.042 1.00 0.00 H new ATOM 0 HA SER A 48 4.424 1.503 7.021 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.822 3.748 8.125 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.754 2.280 9.080 1.00 0.00 H new ATOM 0 HG SER A 48 4.539 3.635 9.678 1.00 0.00 H new ATOM 741 N LEU A 49 2.690 -0.230 7.714 1.00 0.00 N ATOM 742 CA LEU A 49 1.761 -1.351 7.795 1.00 0.00 C ATOM 743 C LEU A 49 1.878 -2.054 9.145 1.00 0.00 C ATOM 744 O LEU A 49 2.980 -2.262 9.652 1.00 0.00 O ATOM 745 CB LEU A 49 2.028 -2.343 6.660 1.00 0.00 C ATOM 746 CG LEU A 49 1.167 -2.147 5.411 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.770 -1.083 4.506 1.00 0.00 C ATOM 748 CD2 LEU A 49 1.008 -3.462 4.663 1.00 0.00 C ATOM 0 H LEU A 49 3.578 -0.383 8.192 1.00 0.00 H new ATOM 0 HA LEU A 49 0.747 -0.963 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.077 -2.270 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.870 -3.353 7.037 1.00 0.00 H new ATOM 0 HG LEU A 49 0.179 -1.808 5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.143 -0.958 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.829 -0.138 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.770 -1.390 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.393 -3.305 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.989 -3.831 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.528 -4.194 5.312 1.00 0.00 H new ATOM 760 N HIS A 50 0.737 -2.414 9.721 1.00 0.00 N ATOM 761 CA HIS A 50 0.714 -3.090 11.014 1.00 0.00 C ATOM 762 C HIS A 50 0.661 -4.604 10.837 1.00 0.00 C ATOM 763 O HIS A 50 -0.212 -5.128 10.145 1.00 0.00 O ATOM 764 CB HIS A 50 -0.483 -2.619 11.840 1.00 0.00 C ATOM 765 CG HIS A 50 -0.376 -2.960 13.294 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.224 -2.133 14.220 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.798 -4.048 13.982 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.168 -2.698 15.414 1.00 0.00 C ATOM 769 NE2 HIS A 50 -0.447 -3.860 15.296 1.00 0.00 N ATOM 0 H HIS A 50 -0.184 -2.250 9.314 1.00 0.00 H new ATOM 0 HA HIS A 50 1.633 -2.837 11.543 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.585 -1.539 11.735 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.392 -3.066 11.436 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.314 -4.904 13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.559 -2.280 16.330 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.632 -4.513 16.058 1.00 0.00 H new ATOM 778 N TYR A 51 1.599 -5.302 11.468 1.00 0.00 N ATOM 779 CA TYR A 51 1.659 -6.756 11.382 1.00 0.00 C ATOM 780 C TYR A 51 1.924 -7.372 12.753 1.00 0.00 C ATOM 781 O TYR A 51 2.071 -6.660 13.747 1.00 0.00 O ATOM 782 CB TYR A 51 2.748 -7.184 10.397 1.00 0.00 C ATOM 783 CG TYR A 51 2.282 -7.222 8.959 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.942 -6.055 8.290 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.182 -8.425 8.273 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.515 -6.084 6.975 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.756 -8.464 6.959 1.00 0.00 C ATOM 788 CZ TYR A 51 1.424 -7.291 6.315 1.00 0.00 C ATOM 789 OH TYR A 51 0.999 -7.325 5.007 1.00 0.00 O ATOM 0 H TYR A 51 2.329 -4.884 12.045 1.00 0.00 H new ATOM 0 HA TYR A 51 0.694 -7.115 11.024 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.591 -6.498 10.479 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.113 -8.172 10.678 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.012 -5.108 8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.441 -9.346 8.775 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.254 -5.167 6.468 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.684 -9.408 6.439 1.00 0.00 H new ATOM 0 HH TYR A 51 0.992 -8.252 4.689 1.00 0.00 H new ATOM 799 N LEU A 52 1.984 -8.699 12.797 1.00 0.00 N ATOM 800 CA LEU A 52 2.231 -9.411 14.046 1.00 0.00 C ATOM 801 C LEU A 52 3.698 -9.307 14.450 1.00 0.00 C ATOM 802 O LEU A 52 4.020 -9.183 15.632 1.00 0.00 O ATOM 803 CB LEU A 52 1.831 -10.882 13.908 1.00 0.00 C ATOM 804 CG LEU A 52 2.586 -11.659 12.827 1.00 0.00 C ATOM 805 CD1 LEU A 52 3.799 -12.358 13.422 1.00 0.00 C ATOM 806 CD2 LEU A 52 1.665 -12.667 12.154 1.00 0.00 C ATOM 0 H LEU A 52 1.865 -9.303 11.983 1.00 0.00 H new ATOM 0 HA LEU A 52 1.624 -8.949 14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.988 -11.377 14.866 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.764 -10.934 13.693 1.00 0.00 H new ATOM 0 HG LEU A 52 2.932 -10.952 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.324 -12.906 12.639 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.469 -11.617 13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.475 -13.053 14.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.218 -13.211 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.289 -13.370 12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.827 -12.143 11.694 1.00 0.00 H new ATOM 818 N LYS A 53 4.583 -9.356 13.460 1.00 0.00 N ATOM 819 CA LYS A 53 6.017 -9.268 13.711 1.00 0.00 C ATOM 820 C LYS A 53 6.436 -7.825 13.980 1.00 0.00 C ATOM 821 O LYS A 53 7.389 -7.571 14.715 1.00 0.00 O ATOM 822 CB LYS A 53 6.800 -9.824 12.521 1.00 0.00 C ATOM 823 CG LYS A 53 6.541 -9.080 11.222 1.00 0.00 C ATOM 824 CD LYS A 53 7.585 -8.002 10.979 1.00 0.00 C ATOM 825 CE LYS A 53 8.848 -8.579 10.362 1.00 0.00 C ATOM 826 NZ LYS A 53 10.068 -7.852 10.810 1.00 0.00 N ATOM 0 H LYS A 53 4.332 -9.456 12.476 1.00 0.00 H new ATOM 0 HA LYS A 53 6.242 -9.864 14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.866 -9.784 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.542 -10.874 12.386 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.545 -9.785 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.550 -8.628 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.173 -7.237 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.830 -7.512 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.934 -9.632 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.776 -8.531 9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.908 -8.276 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.998 -6.852 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.152 -7.919 11.844 1.00 0.00 H new ATOM 840 N GLY A 54 5.716 -6.884 13.377 1.00 0.00 N ATOM 841 CA GLY A 54 6.028 -5.479 13.563 1.00 0.00 C ATOM 842 C GLY A 54 5.535 -4.618 12.415 1.00 0.00 C ATOM 843 O GLY A 54 4.408 -4.782 11.948 1.00 0.00 O ATOM 0 H GLY A 54 4.923 -7.069 12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.579 -5.130 14.493 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.107 -5.360 13.665 1.00 0.00 H new ATOM 847 N ILE A 55 6.381 -3.699 11.961 1.00 0.00 N ATOM 848 CA ILE A 55 6.025 -2.810 10.862 1.00 0.00 C ATOM 849 C ILE A 55 7.026 -2.926 9.717 1.00 0.00 C ATOM 850 O ILE A 55 8.236 -2.978 9.940 1.00 0.00 O ATOM 851 CB ILE A 55 5.960 -1.341 11.324 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.096 -1.217 12.580 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.416 -0.458 10.210 1.00 0.00 C ATOM 854 CD1 ILE A 55 3.671 -1.684 12.383 1.00 0.00 C ATOM 0 H ILE A 55 7.317 -3.551 12.337 1.00 0.00 H new ATOM 0 HA ILE A 55 5.039 -3.117 10.514 1.00 0.00 H new ATOM 0 HB ILE A 55 6.969 -1.006 11.565 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.552 -1.796 13.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.087 -0.176 12.903 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.376 0.576 10.552 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.068 -0.527 9.339 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.413 -0.789 9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.118 -1.567 13.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.198 -1.088 11.602 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.669 -2.734 12.090 1.00 0.00 H new ATOM 866 N GLU A 56 6.515 -2.964 8.491 1.00 0.00 N ATOM 867 CA GLU A 56 7.365 -3.071 7.311 1.00 0.00 C ATOM 868 C GLU A 56 7.803 -1.692 6.830 1.00 0.00 C ATOM 869 O GLU A 56 8.988 -1.451 6.602 1.00 0.00 O ATOM 870 CB GLU A 56 6.627 -3.806 6.190 1.00 0.00 C ATOM 871 CG GLU A 56 6.798 -5.316 6.237 1.00 0.00 C ATOM 872 CD GLU A 56 8.057 -5.782 5.531 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.354 -5.256 4.438 1.00 0.00 O ATOM 874 OE2 GLU A 56 8.744 -6.674 6.071 1.00 0.00 O ATOM 0 H GLU A 56 5.516 -2.922 8.289 1.00 0.00 H new ATOM 0 HA GLU A 56 8.254 -3.640 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.565 -3.567 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.985 -3.438 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.827 -5.643 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.931 -5.791 5.777 1.00 0.00 H new ATOM 881 N GLU A 57 6.839 -0.789 6.679 1.00 0.00 N ATOM 882 CA GLU A 57 7.125 0.567 6.226 1.00 0.00 C ATOM 883 C GLU A 57 7.730 0.559 4.826 1.00 0.00 C ATOM 884 O GLU A 57 8.931 0.347 4.658 1.00 0.00 O ATOM 885 CB GLU A 57 8.076 1.263 7.202 1.00 0.00 C ATOM 886 CG GLU A 57 7.833 2.759 7.326 1.00 0.00 C ATOM 887 CD GLU A 57 8.910 3.459 8.131 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.364 2.883 9.142 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.300 4.582 7.749 1.00 0.00 O ATOM 0 H GLU A 57 5.853 -0.972 6.864 1.00 0.00 H new ATOM 0 HA GLU A 57 6.184 1.117 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.974 0.804 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.103 1.096 6.877 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.785 3.199 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.865 2.928 7.797 1.00 0.00 H new ATOM 896 N TYR A 58 6.889 0.794 3.824 1.00 0.00 N ATOM 897 CA TYR A 58 7.339 0.817 2.436 1.00 0.00 C ATOM 898 C TYR A 58 7.537 2.251 1.954 1.00 0.00 C ATOM 899 O TYR A 58 7.326 3.204 2.703 1.00 0.00 O ATOM 900 CB TYR A 58 6.331 0.098 1.535 1.00 0.00 C ATOM 901 CG TYR A 58 6.077 -1.338 1.932 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.452 -1.648 3.134 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.462 -2.385 1.104 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.220 -2.961 3.499 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.232 -3.700 1.462 1.00 0.00 C ATOM 906 CZ TYR A 58 5.611 -3.983 2.660 1.00 0.00 C ATOM 907 OH TYR A 58 5.381 -5.290 3.020 1.00 0.00 O ATOM 0 H TYR A 58 5.892 0.971 3.947 1.00 0.00 H new ATOM 0 HA TYR A 58 8.296 0.297 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.387 0.643 1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.693 0.123 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.143 -0.851 3.793 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.949 -2.168 0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.735 -3.185 4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.537 -4.502 0.806 1.00 0.00 H new ATOM 0 HH TYR A 58 5.716 -5.886 2.318 1.00 0.00 H new ATOM 917 N THR A 59 7.943 2.393 0.698 1.00 0.00 N ATOM 918 CA THR A 59 8.171 3.710 0.110 1.00 0.00 C ATOM 919 C THR A 59 7.607 3.777 -1.305 1.00 0.00 C ATOM 920 O THR A 59 7.894 2.919 -2.139 1.00 0.00 O ATOM 921 CB THR A 59 9.668 4.030 0.093 1.00 0.00 C ATOM 922 OG1 THR A 59 10.190 4.062 1.409 1.00 0.00 O ATOM 923 CG2 THR A 59 9.990 5.357 -0.562 1.00 0.00 C ATOM 0 H THR A 59 8.122 1.613 0.066 1.00 0.00 H new ATOM 0 HA THR A 59 7.656 4.450 0.722 1.00 0.00 H new ATOM 0 HB THR A 59 10.126 3.234 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.564 4.949 1.591 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.067 5.522 -0.540 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.646 5.345 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.489 6.160 -0.022 1.00 0.00 H new ATOM 931 N ILE A 60 6.804 4.802 -1.569 1.00 0.00 N ATOM 932 CA ILE A 60 6.202 4.979 -2.886 1.00 0.00 C ATOM 933 C ILE A 60 7.163 5.685 -3.836 1.00 0.00 C ATOM 934 O ILE A 60 7.772 6.694 -3.482 1.00 0.00 O ATOM 935 CB ILE A 60 4.891 5.784 -2.808 1.00 0.00 C ATOM 936 CG1 ILE A 60 4.046 5.323 -1.619 1.00 0.00 C ATOM 937 CG2 ILE A 60 4.108 5.643 -4.105 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.766 6.111 -1.449 1.00 0.00 C ATOM 0 H ILE A 60 6.555 5.522 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 60 5.981 3.982 -3.267 1.00 0.00 H new ATOM 0 HB ILE A 60 5.139 6.836 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.801 4.268 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.639 5.406 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.184 6.217 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.707 6.018 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.871 4.593 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.216 5.731 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.004 7.163 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.153 6.008 -2.345 1.00 0.00 H new ATOM 950 N LEU A 61 7.294 5.147 -5.043 1.00 0.00 N ATOM 951 CA LEU A 61 8.182 5.723 -6.046 1.00 0.00 C ATOM 952 C LEU A 61 7.401 6.536 -7.075 1.00 0.00 C ATOM 953 O LEU A 61 7.963 7.400 -7.750 1.00 0.00 O ATOM 954 CB LEU A 61 8.974 4.617 -6.748 1.00 0.00 C ATOM 955 CG LEU A 61 9.865 3.778 -5.831 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.522 2.650 -6.611 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.917 4.652 -5.166 1.00 0.00 C ATOM 0 H LEU A 61 6.796 4.312 -5.351 1.00 0.00 H new ATOM 0 HA LEU A 61 8.874 6.394 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.272 3.954 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.597 5.070 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 61 9.241 3.338 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.152 2.064 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.753 2.008 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.133 3.068 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.542 4.039 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.537 5.120 -5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.427 5.424 -4.573 1.00 0.00 H new ATOM 969 N GLN A 62 6.105 6.258 -7.195 1.00 0.00 N ATOM 970 CA GLN A 62 5.260 6.969 -8.147 1.00 0.00 C ATOM 971 C GLN A 62 3.803 6.528 -8.028 1.00 0.00 C ATOM 972 O GLN A 62 3.505 5.482 -7.453 1.00 0.00 O ATOM 973 CB GLN A 62 5.757 6.737 -9.575 1.00 0.00 C ATOM 974 CG GLN A 62 5.048 7.588 -10.615 1.00 0.00 C ATOM 975 CD GLN A 62 5.642 7.432 -12.001 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.392 6.444 -12.688 1.00 0.00 O ATOM 977 NE2 GLN A 62 6.436 8.412 -12.417 1.00 0.00 N ATOM 0 H GLN A 62 5.620 5.548 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 62 5.317 8.032 -7.915 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.826 6.945 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.627 5.685 -9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.993 7.316 -10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.099 8.635 -10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.616 9.214 -11.813 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.866 8.363 -13.341 1.00 0.00 H new ATOM 986 N ILE A 63 2.902 7.336 -8.579 1.00 0.00 N ATOM 987 CA ILE A 63 1.476 7.035 -8.540 1.00 0.00 C ATOM 988 C ILE A 63 0.863 7.100 -9.938 1.00 0.00 C ATOM 989 O ILE A 63 0.521 8.179 -10.423 1.00 0.00 O ATOM 990 CB ILE A 63 0.722 8.011 -7.615 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.382 8.055 -6.236 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.741 7.608 -7.495 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.297 6.745 -5.484 1.00 0.00 C ATOM 0 H ILE A 63 3.135 8.206 -9.058 1.00 0.00 H new ATOM 0 HA ILE A 63 1.375 6.023 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 63 0.768 9.009 -8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.430 8.331 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.911 8.837 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.258 8.308 -6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.205 7.625 -8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.809 6.603 -7.079 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.785 6.849 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.251 6.478 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.794 5.963 -6.058 1.00 0.00 H new ATOM 1005 N PRO A 64 0.717 5.943 -10.609 1.00 0.00 N ATOM 1006 CA PRO A 64 0.143 5.880 -11.956 1.00 0.00 C ATOM 1007 C PRO A 64 -1.371 6.075 -11.960 1.00 0.00 C ATOM 1008 O PRO A 64 -1.978 6.266 -13.014 1.00 0.00 O ATOM 1009 CB PRO A 64 0.500 4.470 -12.421 1.00 0.00 C ATOM 1010 CG PRO A 64 0.572 3.673 -11.166 1.00 0.00 C ATOM 1011 CD PRO A 64 1.099 4.607 -10.110 1.00 0.00 C ATOM 0 HA PRO A 64 0.528 6.671 -12.599 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.254 4.073 -13.101 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.450 4.456 -12.955 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.410 3.288 -10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.229 2.812 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.657 4.401 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.179 4.515 -9.996 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.976 6.024 -10.777 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.418 6.194 -10.647 1.00 0.00 C ATOM 1021 C ALA A 65 -4.169 5.055 -11.330 1.00 0.00 C ATOM 1022 O ALA A 65 -5.060 5.286 -12.149 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.849 7.535 -11.224 1.00 0.00 C ATOM 0 H ALA A 65 -1.489 5.866 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.666 6.173 -9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.928 7.646 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.347 8.340 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.581 7.580 -12.279 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.805 3.822 -10.987 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.444 2.647 -11.565 1.00 0.00 C ATOM 1031 C LEU A 66 -5.235 1.881 -10.508 1.00 0.00 C ATOM 1032 O LEU A 66 -5.454 2.377 -9.403 1.00 0.00 O ATOM 1033 CB LEU A 66 -3.395 1.729 -12.197 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.278 2.447 -12.957 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -1.084 1.525 -13.144 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.784 2.945 -14.303 1.00 0.00 C ATOM 0 H LEU A 66 -3.070 3.612 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.136 2.984 -12.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.946 1.121 -11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.898 1.045 -12.881 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.959 3.308 -12.369 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.299 2.052 -13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.707 1.216 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.389 0.645 -13.711 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.976 3.453 -14.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.129 2.099 -14.897 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.609 3.640 -14.147 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.660 0.670 -10.856 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.426 -0.166 -9.937 1.00 0.00 C ATOM 1050 C LYS A 67 -5.683 -1.462 -9.632 1.00 0.00 C ATOM 1051 O LYS A 67 -5.304 -1.718 -8.489 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.802 -0.480 -10.527 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.828 -0.899 -9.487 1.00 0.00 C ATOM 1054 CD LYS A 67 -10.176 -1.195 -10.122 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.151 -1.781 -9.113 1.00 0.00 C ATOM 1056 NZ LYS A 67 -12.566 -1.486 -9.470 1.00 0.00 N ATOM 0 H LYS A 67 -5.487 0.246 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.555 0.385 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.171 0.399 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.699 -1.276 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.472 -1.783 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.940 -0.108 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.591 -0.278 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.044 -1.892 -10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.009 -2.860 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.935 -1.378 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.198 -1.903 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.709 -0.456 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.781 -1.892 -10.403 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.478 -2.277 -10.662 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.779 -3.548 -10.504 1.00 0.00 C ATOM 1072 C ASN A 68 -3.486 -3.561 -11.314 1.00 0.00 C ATOM 1073 O ASN A 68 -3.513 -3.649 -12.542 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.678 -4.706 -10.940 1.00 0.00 C ATOM 1075 CG ASN A 68 -6.870 -4.891 -10.021 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -8.018 -4.726 -10.434 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -6.603 -5.235 -8.767 1.00 0.00 N ATOM 0 H ASN A 68 -5.786 -2.080 -11.614 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.529 -3.668 -9.450 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.030 -4.526 -11.956 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.094 -5.626 -10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.365 -5.373 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.636 -5.361 -8.468 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.357 -3.471 -10.619 1.00 0.00 N ATOM 1085 CA VAL A 69 -1.055 -3.471 -11.274 1.00 0.00 C ATOM 1086 C VAL A 69 -0.641 -4.888 -11.670 1.00 0.00 C ATOM 1087 O VAL A 69 -0.793 -5.826 -10.888 1.00 0.00 O ATOM 1088 CB VAL A 69 0.033 -2.867 -10.363 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.349 -2.732 -11.115 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.416 -1.520 -9.814 1.00 0.00 C ATOM 0 H VAL A 69 -2.318 -3.397 -9.602 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.150 -2.857 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 69 0.190 -3.543 -9.522 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.103 -2.304 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.678 -3.715 -11.452 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.210 -2.080 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.365 -1.110 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.605 -0.835 -10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.330 -1.650 -9.234 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.110 -5.065 -12.894 1.00 0.00 N ATOM 1101 CA PRO A 70 0.322 -6.379 -13.381 1.00 0.00 C ATOM 1102 C PRO A 70 1.572 -6.877 -12.663 1.00 0.00 C ATOM 1103 O PRO A 70 1.989 -6.306 -11.655 1.00 0.00 O ATOM 1104 CB PRO A 70 0.618 -6.132 -14.860 1.00 0.00 C ATOM 1105 CG PRO A 70 0.949 -4.682 -14.943 1.00 0.00 C ATOM 1106 CD PRO A 70 0.110 -4.004 -13.896 1.00 0.00 C ATOM 0 HA PRO A 70 -0.432 -7.146 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.448 -6.748 -15.206 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.242 -6.378 -15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.010 -4.513 -14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.729 -4.288 -15.935 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.623 -3.144 -13.465 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.831 -3.640 -14.309 1.00 0.00 H new ATOM 1114 N ARG A 71 2.165 -7.943 -13.188 1.00 0.00 N ATOM 1115 CA ARG A 71 3.368 -8.516 -12.597 1.00 0.00 C ATOM 1116 C ARG A 71 4.619 -8.025 -13.321 1.00 0.00 C ATOM 1117 O ARG A 71 5.632 -8.722 -13.374 1.00 0.00 O ATOM 1118 CB ARG A 71 3.303 -10.043 -12.636 1.00 0.00 C ATOM 1119 CG ARG A 71 3.142 -10.680 -11.265 1.00 0.00 C ATOM 1120 CD ARG A 71 1.831 -10.276 -10.611 1.00 0.00 C ATOM 1121 NE ARG A 71 2.004 -9.941 -9.199 1.00 0.00 N ATOM 1122 CZ ARG A 71 2.204 -10.844 -8.242 1.00 0.00 C ATOM 1123 NH1 ARG A 71 2.260 -12.137 -8.540 1.00 0.00 N ATOM 1124 NH2 ARG A 71 2.350 -10.455 -6.983 1.00 0.00 N ATOM 0 H ARG A 71 1.832 -8.428 -14.022 1.00 0.00 H new ATOM 0 HA ARG A 71 3.423 -8.190 -11.558 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.469 -10.347 -13.269 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.212 -10.425 -13.101 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.183 -11.765 -11.360 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.974 -10.385 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.412 -9.419 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.113 -11.091 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 71 1.969 -8.957 -8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.149 -12.443 -9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.414 -12.824 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.309 -9.463 -6.748 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.503 -11.147 -6.250 1.00 0.00 H new ATOM 1138 N LYS A 72 4.542 -6.820 -13.878 1.00 0.00 N ATOM 1139 CA LYS A 72 5.667 -6.237 -14.599 1.00 0.00 C ATOM 1140 C LYS A 72 6.005 -4.850 -14.057 1.00 0.00 C ATOM 1141 O LYS A 72 7.175 -4.509 -13.887 1.00 0.00 O ATOM 1142 CB LYS A 72 5.353 -6.149 -16.093 1.00 0.00 C ATOM 1143 CG LYS A 72 6.592 -6.103 -16.973 1.00 0.00 C ATOM 1144 CD LYS A 72 6.267 -6.466 -18.413 1.00 0.00 C ATOM 1145 CE LYS A 72 7.407 -7.233 -19.064 1.00 0.00 C ATOM 1146 NZ LYS A 72 8.610 -6.378 -19.264 1.00 0.00 N ATOM 0 H LYS A 72 3.712 -6.229 -13.843 1.00 0.00 H new ATOM 0 HA LYS A 72 6.532 -6.885 -14.453 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.746 -7.008 -16.379 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.753 -5.258 -16.278 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.027 -5.104 -16.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.342 -6.792 -16.584 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.359 -7.068 -18.442 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.066 -5.558 -18.982 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.670 -8.089 -18.443 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.077 -7.626 -20.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.364 -6.938 -19.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.367 -5.574 -19.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.941 -6.023 -18.344 1.00 0.00 H new ATOM 1160 N ASP A 73 4.975 -4.055 -13.790 1.00 0.00 N ATOM 1161 CA ASP A 73 5.166 -2.706 -13.270 1.00 0.00 C ATOM 1162 C ASP A 73 4.763 -2.618 -11.801 1.00 0.00 C ATOM 1163 O ASP A 73 4.379 -1.553 -11.318 1.00 0.00 O ATOM 1164 CB ASP A 73 4.355 -1.702 -14.092 1.00 0.00 C ATOM 1165 CG ASP A 73 5.050 -1.318 -15.385 1.00 0.00 C ATOM 1166 OD1 ASP A 73 5.702 -2.193 -15.991 1.00 0.00 O ATOM 1167 OD2 ASP A 73 4.940 -0.142 -15.790 1.00 0.00 O ATOM 0 H ASP A 73 4.000 -4.321 -13.925 1.00 0.00 H new ATOM 0 HA ASP A 73 6.226 -2.464 -13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.378 -2.128 -14.320 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.180 -0.806 -13.497 1.00 0.00 H new ATOM 1172 N THR A 74 4.854 -3.741 -11.094 1.00 0.00 N ATOM 1173 CA THR A 74 4.498 -3.780 -9.680 1.00 0.00 C ATOM 1174 C THR A 74 5.744 -3.708 -8.801 1.00 0.00 C ATOM 1175 O THR A 74 5.748 -4.196 -7.672 1.00 0.00 O ATOM 1176 CB THR A 74 3.709 -5.052 -9.362 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.289 -5.055 -8.009 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.498 -6.322 -9.599 1.00 0.00 C ATOM 0 H THR A 74 5.170 -4.633 -11.476 1.00 0.00 H new ATOM 0 HA THR A 74 3.874 -2.912 -9.467 1.00 0.00 H new ATOM 0 HB THR A 74 2.857 -5.041 -10.042 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.025 -4.751 -7.437 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.880 -7.186 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.797 -6.375 -10.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.387 -6.321 -8.968 1.00 0.00 H new ATOM 1186 N HIS A 75 6.800 -3.092 -9.326 1.00 0.00 N ATOM 1187 CA HIS A 75 8.049 -2.952 -8.586 1.00 0.00 C ATOM 1188 C HIS A 75 8.692 -1.593 -8.847 1.00 0.00 C ATOM 1189 O HIS A 75 9.887 -1.407 -8.613 1.00 0.00 O ATOM 1190 CB HIS A 75 9.019 -4.071 -8.967 1.00 0.00 C ATOM 1191 CG HIS A 75 9.419 -4.052 -10.410 1.00 0.00 C ATOM 1192 ND1 HIS A 75 10.183 -3.177 -11.107 1.00 0.00 N flip ATOM 1193 CD2 HIS A 75 9.024 -5.016 -11.314 1.00 0.00 C flip ATOM 1194 CE1 HIS A 75 10.235 -3.625 -12.404 1.00 0.00 C flip ATOM 1195 NE2 HIS A 75 9.529 -4.736 -12.503 1.00 0.00 N flip ATOM 0 H HIS A 75 6.815 -2.683 -10.260 1.00 0.00 H new ATOM 0 HA HIS A 75 7.820 -3.024 -7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.914 -3.991 -8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.559 -5.033 -8.739 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.399 -5.867 -11.086 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.767 -3.146 -13.212 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.396 -5.285 -13.352 1.00 0.00 H new ATOM 1204 N LEU A 76 7.895 -0.643 -9.330 1.00 0.00 N ATOM 1205 CA LEU A 76 8.389 0.699 -9.616 1.00 0.00 C ATOM 1206 C LEU A 76 7.507 1.765 -8.966 1.00 0.00 C ATOM 1207 O LEU A 76 7.717 2.962 -9.171 1.00 0.00 O ATOM 1208 CB LEU A 76 8.452 0.926 -11.129 1.00 0.00 C ATOM 1209 CG LEU A 76 9.796 0.586 -11.780 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.591 -0.288 -13.007 1.00 0.00 C ATOM 1211 CD2 LEU A 76 10.548 1.856 -12.148 1.00 0.00 C ATOM 0 H LEU A 76 6.904 -0.779 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 76 9.391 0.785 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.674 0.328 -11.603 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.220 1.971 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 76 10.395 0.029 -11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.558 -0.518 -13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.096 -1.214 -12.715 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.972 0.241 -13.732 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.500 1.594 -12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.953 2.440 -12.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.730 2.445 -11.249 1.00 0.00 H new ATOM 1223 N TYR A 77 6.520 1.330 -8.185 1.00 0.00 N ATOM 1224 CA TYR A 77 5.615 2.254 -7.513 1.00 0.00 C ATOM 1225 C TYR A 77 5.786 2.184 -5.997 1.00 0.00 C ATOM 1226 O TYR A 77 5.553 3.165 -5.293 1.00 0.00 O ATOM 1227 CB TYR A 77 4.165 1.944 -7.890 1.00 0.00 C ATOM 1228 CG TYR A 77 3.909 1.970 -9.381 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.212 3.095 -10.137 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.367 0.868 -10.031 1.00 0.00 C ATOM 1231 CE1 TYR A 77 3.981 3.121 -11.500 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.134 0.887 -11.393 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.441 2.015 -12.122 1.00 0.00 C ATOM 1234 OH TYR A 77 3.210 2.039 -13.478 1.00 0.00 O ATOM 0 H TYR A 77 6.329 0.345 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 77 5.861 3.264 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.899 0.961 -7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.509 2.667 -7.404 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.635 3.963 -9.653 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.124 -0.018 -9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.222 4.003 -12.075 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.713 0.022 -11.884 1.00 0.00 H new ATOM 0 HH TYR A 77 2.828 1.182 -13.760 1.00 0.00 H new ATOM 1244 N ILE A 78 6.192 1.018 -5.502 1.00 0.00 N ATOM 1245 CA ILE A 78 6.396 0.822 -4.071 1.00 0.00 C ATOM 1246 C ILE A 78 7.447 -0.252 -3.811 1.00 0.00 C ATOM 1247 O ILE A 78 7.455 -1.297 -4.461 1.00 0.00 O ATOM 1248 CB ILE A 78 5.082 0.430 -3.365 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.303 0.296 -1.855 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.536 -0.867 -3.943 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.019 0.313 -1.054 1.00 0.00 C ATOM 0 H ILE A 78 6.386 0.194 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 78 6.745 1.771 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 78 4.349 1.219 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.835 -0.634 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.944 1.109 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.609 -1.130 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.342 -0.738 -5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.266 -1.664 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.250 0.214 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.496 1.254 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.385 -0.517 -1.366 1.00 0.00 H new ATOM 1263 N ALA A 79 8.332 0.013 -2.855 1.00 0.00 N ATOM 1264 CA ALA A 79 9.387 -0.932 -2.509 1.00 0.00 C ATOM 1265 C ALA A 79 9.680 -0.902 -1.010 1.00 0.00 C ATOM 1266 O ALA A 79 9.734 0.168 -0.404 1.00 0.00 O ATOM 1267 CB ALA A 79 10.649 -0.625 -3.301 1.00 0.00 C ATOM 0 H ALA A 79 8.339 0.873 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 79 9.044 -1.934 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.429 -1.338 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.437 -0.702 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.986 0.386 -3.071 1.00 0.00 H new ATOM 1273 N PRO A 80 9.876 -2.079 -0.388 1.00 0.00 N ATOM 1274 CA PRO A 80 10.166 -2.172 1.048 1.00 0.00 C ATOM 1275 C PRO A 80 11.366 -1.322 1.451 1.00 0.00 C ATOM 1276 O PRO A 80 12.457 -1.470 0.899 1.00 0.00 O ATOM 1277 CB PRO A 80 10.470 -3.658 1.260 1.00 0.00 C ATOM 1278 CG PRO A 80 9.778 -4.352 0.138 1.00 0.00 C ATOM 1279 CD PRO A 80 9.833 -3.407 -1.029 1.00 0.00 C ATOM 0 HA PRO A 80 9.337 -1.804 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.543 -3.849 1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.102 -4.003 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.270 -5.295 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.747 -4.588 0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.712 -3.583 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.961 -3.514 -1.675 1.00 0.00 H new ATOM 1287 N LYS A 81 11.159 -0.433 2.417 1.00 0.00 N ATOM 1288 CA LYS A 81 12.225 0.439 2.895 1.00 0.00 C ATOM 1289 C LYS A 81 12.636 0.065 4.317 1.00 0.00 C ATOM 1290 O LYS A 81 12.673 0.912 5.209 1.00 0.00 O ATOM 1291 CB LYS A 81 11.777 1.903 2.841 1.00 0.00 C ATOM 1292 CG LYS A 81 12.852 2.847 2.328 1.00 0.00 C ATOM 1293 CD LYS A 81 13.712 3.384 3.461 1.00 0.00 C ATOM 1294 CE LYS A 81 13.324 4.807 3.830 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.291 4.841 4.902 1.00 0.00 N ATOM 0 H LYS A 81 10.262 -0.298 2.884 1.00 0.00 H new ATOM 0 HA LYS A 81 13.090 0.310 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.899 1.983 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.473 2.219 3.839 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.482 2.325 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.385 3.678 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.609 2.740 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.761 3.357 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.209 5.350 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.947 5.321 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.054 5.829 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.437 4.345 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.660 4.373 5.754 1.00 0.00 H new