USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 683 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 27 SER OG : rot 177:sc= 1.32 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.967! C(o=0.36!,f=-3.4!) USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0.136 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0234 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 1.26 (180deg=0.154) USER MOD Single : A 5 MET CE :methyl 148:sc= -0.108 (180deg=-2.03!) USER MOD Single : A 6 SER OG : rot 117:sc= 1.31 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.397 K(o=-0.4,f=-2) USER MOD Single : A 21 GLN : amide:sc= -0.03 K(o=-0.03,f=-0.55) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.392 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 34 CYS SG : rot -170:sc= -0.785 USER MOD Single : A 36 GLN : amide:sc= 0.794 K(o=0.79,f=-0.17) USER MOD Single : A 38 HIS : no HE2:sc= -0.66 K(o=-0.66,f=-4.8!) USER MOD Single : A 39 ASN : amide:sc= 1.03 K(o=1,f=-0.76) USER MOD Single : A 45 LYS NZ :NH3+ 153:sc= 1.22 (180deg=1.08) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -177:sc= -0.116 (180deg=-0.145) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 77:sc= 0.152 USER MOD Single : A 63 SER OG : rot 180:sc=-0.00266 USER MOD Single : A 64 MET CE :methyl -163:sc= 0 (180deg=-0.135) USER MOD Single : A 71 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.33) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.263 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot -1:sc= 1.11 USER MOD Single : A 85 GLN : amide:sc= -0.393 K(o=-0.39,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.415 0.571 10.749 1.00 0.00 N ATOM 2 CA GLY A 1 -15.805 0.974 10.512 1.00 0.00 C ATOM 3 C GLY A 1 -16.677 -0.244 10.293 1.00 0.00 C ATOM 4 O GLY A 1 -16.503 -1.260 10.975 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.035 1.096 11.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.378 -0.449 10.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.844 0.779 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.175 1.546 11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.857 1.628 9.642 1.00 0.00 H new ATOM 8 N HIS A 2 -17.628 -0.154 9.355 1.00 0.00 N ATOM 9 CA HIS A 2 -18.484 -1.286 9.013 1.00 0.00 C ATOM 10 C HIS A 2 -18.863 -1.302 7.531 1.00 0.00 C ATOM 11 O HIS A 2 -18.791 -2.367 6.927 1.00 0.00 O ATOM 12 CB HIS A 2 -19.717 -1.293 9.932 1.00 0.00 C ATOM 13 CG HIS A 2 -20.055 -2.638 10.525 1.00 0.00 C ATOM 14 ND1 HIS A 2 -20.570 -2.826 11.795 1.00 0.00 N ATOM 15 CD2 HIS A 2 -19.923 -3.864 9.925 1.00 0.00 C ATOM 16 CE1 HIS A 2 -20.779 -4.144 11.954 1.00 0.00 C ATOM 17 NE2 HIS A 2 -20.396 -4.792 10.836 1.00 0.00 N ATOM 0 H HIS A 2 -17.821 0.694 8.822 1.00 0.00 H new ATOM 0 HA HIS A 2 -17.924 -2.206 9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -19.552 -0.585 10.744 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -20.577 -0.934 9.366 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -19.529 -4.065 8.940 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -21.189 -4.610 12.838 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -20.446 -5.800 10.686 1.00 0.00 H new ATOM 26 N SER A 3 -19.235 -0.160 6.938 1.00 0.00 N ATOM 27 CA SER A 3 -19.565 -0.093 5.513 1.00 0.00 C ATOM 28 C SER A 3 -18.312 -0.331 4.673 1.00 0.00 C ATOM 29 O SER A 3 -18.181 -1.379 4.052 1.00 0.00 O ATOM 30 CB SER A 3 -20.232 1.237 5.157 1.00 0.00 C ATOM 31 OG SER A 3 -21.302 1.491 6.042 1.00 0.00 O ATOM 0 H SER A 3 -19.314 0.732 7.427 1.00 0.00 H new ATOM 0 HA SER A 3 -20.284 -0.881 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.503 2.046 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.597 1.207 4.130 1.00 0.00 H new ATOM 0 HG SER A 3 -21.723 2.345 5.809 1.00 0.00 H new ATOM 37 N LYS A 4 -17.348 0.598 4.727 1.00 0.00 N ATOM 38 CA LYS A 4 -16.076 0.533 4.017 1.00 0.00 C ATOM 39 C LYS A 4 -16.241 0.810 2.512 1.00 0.00 C ATOM 40 O LYS A 4 -17.236 1.406 2.087 1.00 0.00 O ATOM 41 CB LYS A 4 -15.279 -0.707 4.397 1.00 0.00 C ATOM 42 CG LYS A 4 -13.746 -0.750 4.316 1.00 0.00 C ATOM 43 CD LYS A 4 -13.040 0.057 5.395 1.00 0.00 C ATOM 44 CE LYS A 4 -13.016 1.538 5.023 1.00 0.00 C ATOM 45 NZ LYS A 4 -13.313 2.351 6.221 1.00 0.00 N ATOM 0 H LYS A 4 -17.442 1.444 5.289 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.442 1.354 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.545 -0.948 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.649 -1.521 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.419 -1.788 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.435 -0.380 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.549 -0.076 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.021 -0.309 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.039 1.807 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.749 1.740 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.739 3.218 6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.322 2.604 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.088 1.804 7.076 1.00 0.00 H new ATOM 59 N MET A 5 -15.190 0.532 1.741 1.00 0.00 N ATOM 60 CA MET A 5 -15.054 0.890 0.343 1.00 0.00 C ATOM 61 C MET A 5 -15.871 -0.098 -0.490 1.00 0.00 C ATOM 62 O MET A 5 -15.358 -1.116 -0.943 1.00 0.00 O ATOM 63 CB MET A 5 -13.582 1.022 -0.043 1.00 0.00 C ATOM 64 CG MET A 5 -13.404 1.106 -1.571 1.00 0.00 C ATOM 65 SD MET A 5 -11.855 1.807 -2.190 1.00 0.00 S ATOM 66 CE MET A 5 -12.185 3.579 -2.029 1.00 0.00 C ATOM 0 H MET A 5 -14.378 0.028 2.097 1.00 0.00 H new ATOM 0 HA MET A 5 -15.465 1.879 0.138 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.161 1.913 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.026 0.168 0.343 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.505 0.100 -1.978 1.00 0.00 H new ATOM 0 HG3 MET A 5 -14.226 1.697 -1.974 1.00 0.00 H new ATOM 0 HE1 MET A 5 -11.255 4.104 -1.811 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.605 3.957 -2.961 1.00 0.00 H new ATOM 0 HE3 MET A 5 -12.894 3.745 -1.218 1.00 0.00 H new ATOM 76 N SER A 6 -17.156 0.183 -0.674 1.00 0.00 N ATOM 77 CA SER A 6 -18.031 -0.634 -1.496 1.00 0.00 C ATOM 78 C SER A 6 -17.748 -0.389 -2.980 1.00 0.00 C ATOM 79 O SER A 6 -17.410 -1.300 -3.740 1.00 0.00 O ATOM 80 CB SER A 6 -19.483 -0.320 -1.117 1.00 0.00 C ATOM 81 OG SER A 6 -19.729 1.079 -1.039 1.00 0.00 O ATOM 0 H SER A 6 -17.619 0.989 -0.254 1.00 0.00 H new ATOM 0 HA SER A 6 -17.849 -1.694 -1.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.153 -0.764 -1.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.714 -0.782 -0.157 1.00 0.00 H new ATOM 0 HG SER A 6 -20.394 1.332 -1.713 1.00 0.00 H new ATOM 87 N ASP A 7 -17.940 0.856 -3.409 1.00 0.00 N ATOM 88 CA ASP A 7 -18.154 1.240 -4.791 1.00 0.00 C ATOM 89 C ASP A 7 -17.861 2.731 -4.898 1.00 0.00 C ATOM 90 O ASP A 7 -18.531 3.560 -4.295 1.00 0.00 O ATOM 91 CB ASP A 7 -19.594 0.917 -5.225 1.00 0.00 C ATOM 92 CG ASP A 7 -20.652 1.821 -4.598 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.797 1.796 -3.349 1.00 0.00 O ATOM 94 OD2 ASP A 7 -21.333 2.533 -5.368 1.00 0.00 O ATOM 0 H ASP A 7 -17.950 1.653 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.494 0.682 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -19.661 0.996 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.816 -0.118 -4.966 1.00 0.00 H new ATOM 99 N VAL A 8 -16.775 3.086 -5.568 1.00 0.00 N ATOM 100 CA VAL A 8 -16.229 4.438 -5.622 1.00 0.00 C ATOM 101 C VAL A 8 -15.541 4.661 -6.972 1.00 0.00 C ATOM 102 O VAL A 8 -15.082 5.763 -7.270 1.00 0.00 O ATOM 103 CB VAL A 8 -15.234 4.617 -4.450 1.00 0.00 C ATOM 104 CG1 VAL A 8 -15.008 6.097 -4.136 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.656 3.951 -3.126 1.00 0.00 C ATOM 0 H VAL A 8 -16.228 2.417 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.025 5.176 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.331 4.124 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.305 6.190 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.602 6.598 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.956 6.559 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.894 4.133 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.606 4.371 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.767 2.877 -3.278 1.00 0.00 H new ATOM 115 N LYS A 9 -15.537 3.613 -7.802 1.00 0.00 N ATOM 116 CA LYS A 9 -14.861 3.445 -9.076 1.00 0.00 C ATOM 117 C LYS A 9 -13.359 3.341 -8.832 1.00 0.00 C ATOM 118 O LYS A 9 -12.822 4.047 -7.983 1.00 0.00 O ATOM 119 CB LYS A 9 -15.234 4.557 -10.061 1.00 0.00 C ATOM 120 CG LYS A 9 -16.758 4.633 -10.229 1.00 0.00 C ATOM 121 CD LYS A 9 -17.275 3.614 -11.257 1.00 0.00 C ATOM 122 CE LYS A 9 -18.780 3.498 -11.073 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.462 2.828 -12.199 1.00 0.00 N ATOM 0 H LYS A 9 -16.068 2.775 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.191 2.519 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.853 5.513 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.764 4.369 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.238 4.453 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.039 5.639 -10.542 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.037 3.938 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.796 2.646 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.984 2.947 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.200 4.496 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.483 2.783 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.296 3.365 -13.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.087 1.864 -12.308 1.00 0.00 H new ATOM 137 N CYS A 10 -12.687 2.428 -9.538 1.00 0.00 N ATOM 138 CA CYS A 10 -11.302 2.052 -9.259 1.00 0.00 C ATOM 139 C CYS A 10 -11.076 1.882 -7.751 1.00 0.00 C ATOM 140 O CYS A 10 -10.207 2.530 -7.175 1.00 0.00 O ATOM 141 CB CYS A 10 -10.355 3.071 -9.920 1.00 0.00 C ATOM 142 SG CYS A 10 -10.492 2.866 -11.722 1.00 0.00 S ATOM 0 H CYS A 10 -13.094 1.925 -10.326 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.079 1.079 -9.696 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.623 4.087 -9.629 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.328 2.907 -9.593 1.00 0.00 H new ATOM 0 HG CYS A 10 -9.706 3.714 -12.316 1.00 0.00 H new ATOM 148 N THR A 11 -11.870 1.020 -7.112 1.00 0.00 N ATOM 149 CA THR A 11 -11.811 0.781 -5.673 1.00 0.00 C ATOM 150 C THR A 11 -10.480 0.123 -5.291 1.00 0.00 C ATOM 151 O THR A 11 -9.497 0.784 -4.943 1.00 0.00 O ATOM 152 CB THR A 11 -13.023 -0.065 -5.227 1.00 0.00 C ATOM 153 OG1 THR A 11 -13.236 -1.156 -6.110 1.00 0.00 O ATOM 154 CG2 THR A 11 -14.305 0.768 -5.188 1.00 0.00 C ATOM 0 H THR A 11 -12.580 0.463 -7.588 1.00 0.00 H new ATOM 0 HA THR A 11 -11.861 1.735 -5.148 1.00 0.00 H new ATOM 0 HB THR A 11 -12.793 -0.431 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.008 -1.678 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.137 0.140 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.182 1.592 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.510 1.167 -6.181 1.00 0.00 H new ATOM 162 N SER A 12 -10.406 -1.201 -5.387 1.00 0.00 N ATOM 163 CA SER A 12 -9.262 -1.948 -4.915 1.00 0.00 C ATOM 164 C SER A 12 -8.227 -2.090 -6.036 1.00 0.00 C ATOM 165 O SER A 12 -7.447 -3.038 -6.033 1.00 0.00 O ATOM 166 CB SER A 12 -9.823 -3.301 -4.457 1.00 0.00 C ATOM 167 OG SER A 12 -10.573 -3.889 -5.505 1.00 0.00 O ATOM 0 H SER A 12 -11.141 -1.779 -5.795 1.00 0.00 H new ATOM 0 HA SER A 12 -8.742 -1.454 -4.094 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.008 -3.963 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.453 -3.165 -3.578 1.00 0.00 H new ATOM 0 HG SER A 12 -10.928 -4.753 -5.209 1.00 0.00 H new ATOM 173 N VAL A 13 -8.055 -1.066 -6.874 1.00 0.00 N ATOM 174 CA VAL A 13 -7.194 -1.158 -8.054 1.00 0.00 C ATOM 175 C VAL A 13 -6.059 -0.152 -7.960 1.00 0.00 C ATOM 176 O VAL A 13 -4.979 -0.418 -8.469 1.00 0.00 O ATOM 177 CB VAL A 13 -8.003 -1.031 -9.361 1.00 0.00 C ATOM 178 CG1 VAL A 13 -9.287 -1.871 -9.323 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.360 0.416 -9.683 1.00 0.00 C ATOM 0 H VAL A 13 -8.504 -0.158 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.744 -2.151 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.352 -1.411 -10.148 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.827 -1.753 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.031 -2.921 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.916 -1.536 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.929 0.452 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.960 0.831 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.446 1.000 -9.794 1.00 0.00 H new ATOM 189 N VAL A 14 -6.252 0.946 -7.223 1.00 0.00 N ATOM 190 CA VAL A 14 -5.252 1.996 -7.112 1.00 0.00 C ATOM 191 C VAL A 14 -3.892 1.437 -6.679 1.00 0.00 C ATOM 192 O VAL A 14 -2.868 1.756 -7.265 1.00 0.00 O ATOM 193 CB VAL A 14 -5.768 3.209 -6.337 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.990 3.846 -7.000 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.149 2.771 -4.942 1.00 0.00 C ATOM 0 H VAL A 14 -7.104 1.126 -6.691 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.060 2.404 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.971 3.953 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.318 4.703 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.728 4.175 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.796 3.115 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.519 3.628 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.929 2.011 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.275 2.357 -4.439 1.00 0.00 H new ATOM 205 N LEU A 15 -3.865 0.508 -5.720 1.00 0.00 N ATOM 206 CA LEU A 15 -2.617 -0.105 -5.278 1.00 0.00 C ATOM 207 C LEU A 15 -2.043 -1.074 -6.314 1.00 0.00 C ATOM 208 O LEU A 15 -0.822 -1.213 -6.416 1.00 0.00 O ATOM 209 CB LEU A 15 -2.861 -0.803 -3.938 1.00 0.00 C ATOM 210 CG LEU A 15 -1.567 -1.241 -3.258 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.662 -0.065 -2.893 1.00 0.00 C ATOM 212 CD2 LEU A 15 -1.934 -1.992 -1.994 1.00 0.00 C ATOM 0 H LEU A 15 -4.695 0.166 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.869 0.678 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.405 -0.129 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.496 -1.675 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.012 -1.866 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.243 -0.438 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.394 0.482 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.188 0.601 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.025 -2.317 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.503 -1.337 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.538 -2.863 -2.250 1.00 0.00 H new ATOM 224 N LEU A 16 -2.925 -1.725 -7.073 1.00 0.00 N ATOM 225 CA LEU A 16 -2.598 -2.639 -8.162 1.00 0.00 C ATOM 226 C LEU A 16 -2.034 -1.916 -9.382 1.00 0.00 C ATOM 227 O LEU A 16 -1.521 -2.579 -10.272 1.00 0.00 O ATOM 228 CB LEU A 16 -3.824 -3.467 -8.588 1.00 0.00 C ATOM 229 CG LEU A 16 -4.418 -4.361 -7.486 1.00 0.00 C ATOM 230 CD1 LEU A 16 -5.563 -5.203 -8.036 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.368 -5.304 -6.906 1.00 0.00 C ATOM 0 H LEU A 16 -3.931 -1.623 -6.937 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.828 -3.304 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.599 -2.786 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.544 -4.095 -9.433 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.782 -3.698 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.969 -5.828 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.346 -4.548 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.194 -5.836 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.822 -5.921 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.978 -5.944 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.553 -4.721 -6.476 1.00 0.00 H new ATOM 243 N SER A 17 -2.086 -0.592 -9.417 1.00 0.00 N ATOM 244 CA SER A 17 -1.511 0.237 -10.468 1.00 0.00 C ATOM 245 C SER A 17 -0.416 1.167 -9.921 1.00 0.00 C ATOM 246 O SER A 17 0.105 1.989 -10.667 1.00 0.00 O ATOM 247 CB SER A 17 -2.641 0.950 -11.221 1.00 0.00 C ATOM 248 OG SER A 17 -3.530 -0.016 -11.770 1.00 0.00 O ATOM 0 H SER A 17 -2.546 -0.046 -8.689 1.00 0.00 H new ATOM 0 HA SER A 17 -0.990 -0.385 -11.196 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.181 1.613 -10.545 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.227 1.572 -12.015 1.00 0.00 H new ATOM 0 HG SER A 17 -4.253 0.440 -12.250 1.00 0.00 H new ATOM 254 N VAL A 18 -0.099 1.108 -8.616 1.00 0.00 N ATOM 255 CA VAL A 18 0.851 2.023 -7.972 1.00 0.00 C ATOM 256 C VAL A 18 2.039 1.317 -7.326 1.00 0.00 C ATOM 257 O VAL A 18 3.181 1.705 -7.575 1.00 0.00 O ATOM 258 CB VAL A 18 0.089 2.976 -7.021 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.991 3.923 -6.209 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.834 3.876 -7.868 1.00 0.00 C ATOM 0 H VAL A 18 -0.498 0.420 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 18 1.318 2.631 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.441 2.333 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.374 4.554 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.671 3.337 -5.591 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.567 4.549 -6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.380 4.555 -7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.234 4.453 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.541 3.256 -8.419 1.00 0.00 H new ATOM 270 N LEU A 19 1.808 0.347 -6.435 1.00 0.00 N ATOM 271 CA LEU A 19 2.916 -0.306 -5.738 1.00 0.00 C ATOM 272 C LEU A 19 3.389 -1.442 -6.615 1.00 0.00 C ATOM 273 O LEU A 19 4.450 -1.348 -7.228 1.00 0.00 O ATOM 274 CB LEU A 19 2.523 -0.789 -4.330 1.00 0.00 C ATOM 275 CG LEU A 19 2.904 0.149 -3.176 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.359 -0.023 -2.748 1.00 0.00 C ATOM 277 CD2 LEU A 19 2.605 1.619 -3.488 1.00 0.00 C ATOM 0 H LEU A 19 0.881 0.003 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 19 3.723 0.408 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.444 -0.945 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.989 -1.759 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 19 2.271 -0.144 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.581 0.662 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.522 -1.049 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.014 0.195 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.894 2.237 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.169 1.926 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.539 1.741 -3.680 1.00 0.00 H new ATOM 289 N GLN A 20 2.595 -2.513 -6.677 1.00 0.00 N ATOM 290 CA GLN A 20 2.991 -3.738 -7.335 1.00 0.00 C ATOM 291 C GLN A 20 3.446 -3.538 -8.770 1.00 0.00 C ATOM 292 O GLN A 20 4.299 -4.286 -9.224 1.00 0.00 O ATOM 293 CB GLN A 20 1.856 -4.748 -7.249 1.00 0.00 C ATOM 294 CG GLN A 20 0.612 -4.437 -8.099 1.00 0.00 C ATOM 295 CD GLN A 20 0.670 -4.945 -9.549 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.788 -4.163 -10.476 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.561 -6.235 -9.795 1.00 0.00 N ATOM 0 H GLN A 20 1.661 -2.545 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 20 3.865 -4.121 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.241 -5.723 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.548 -4.831 -6.207 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.260 -4.873 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.462 -3.357 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.462 -6.895 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.576 -6.574 -10.757 1.00 0.00 H new ATOM 306 N GLN A 21 2.901 -2.500 -9.403 1.00 0.00 N ATOM 307 CA GLN A 21 3.081 -2.114 -10.787 1.00 0.00 C ATOM 308 C GLN A 21 4.567 -2.019 -11.154 1.00 0.00 C ATOM 309 O GLN A 21 4.907 -2.298 -12.301 1.00 0.00 O ATOM 310 CB GLN A 21 2.255 -0.827 -10.975 1.00 0.00 C ATOM 311 CG GLN A 21 1.900 -0.464 -12.423 1.00 0.00 C ATOM 312 CD GLN A 21 3.048 0.203 -13.167 1.00 0.00 C ATOM 313 OE1 GLN A 21 3.724 1.084 -12.636 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.269 -0.191 -14.406 1.00 0.00 N ATOM 0 H GLN A 21 2.273 -1.861 -8.915 1.00 0.00 H new ATOM 0 HA GLN A 21 2.715 -2.861 -11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.329 -0.927 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.808 0.004 -10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.605 -1.368 -12.956 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.038 0.203 -12.424 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.692 -0.924 -14.819 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.017 0.237 -14.951 1.00 0.00 H new ATOM 323 N LEU A 22 5.452 -1.757 -10.177 1.00 0.00 N ATOM 324 CA LEU A 22 6.886 -2.017 -10.312 1.00 0.00 C ATOM 325 C LEU A 22 7.463 -2.885 -9.189 1.00 0.00 C ATOM 326 O LEU A 22 8.313 -3.722 -9.485 1.00 0.00 O ATOM 327 CB LEU A 22 7.688 -0.712 -10.426 1.00 0.00 C ATOM 328 CG LEU A 22 7.512 -0.019 -11.794 1.00 0.00 C ATOM 329 CD1 LEU A 22 6.854 1.347 -11.616 1.00 0.00 C ATOM 330 CD2 LEU A 22 8.856 0.140 -12.508 1.00 0.00 C ATOM 0 H LEU A 22 5.189 -1.360 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 22 6.986 -2.585 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.377 -0.029 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.745 -0.925 -10.265 1.00 0.00 H new ATOM 0 HG LEU A 22 6.869 -0.649 -12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.736 1.824 -12.589 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.875 1.222 -11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.480 1.972 -10.979 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.702 0.631 -13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.524 0.744 -11.895 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.301 -0.842 -12.670 1.00 0.00 H new ATOM 342 N ARG A 23 7.137 -2.670 -7.901 1.00 0.00 N ATOM 343 CA ARG A 23 7.958 -3.290 -6.833 1.00 0.00 C ATOM 344 C ARG A 23 7.766 -4.781 -6.650 1.00 0.00 C ATOM 345 O ARG A 23 8.663 -5.433 -6.117 1.00 0.00 O ATOM 346 CB ARG A 23 7.952 -2.579 -5.466 1.00 0.00 C ATOM 347 CG ARG A 23 6.730 -1.749 -5.091 1.00 0.00 C ATOM 348 CD ARG A 23 6.873 -0.310 -5.602 1.00 0.00 C ATOM 349 NE ARG A 23 7.544 0.536 -4.599 1.00 0.00 N ATOM 350 CZ ARG A 23 7.189 1.758 -4.196 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.251 2.435 -4.853 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.761 2.277 -3.120 1.00 0.00 N ATOM 0 H ARG A 23 6.353 -2.102 -7.580 1.00 0.00 H new ATOM 0 HA ARG A 23 8.953 -3.137 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.088 -3.338 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.823 -1.925 -5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.833 -2.202 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.606 -1.745 -4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.444 -0.304 -6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.889 0.099 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 23 8.377 0.142 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.800 2.021 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.983 3.368 -4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.465 1.744 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.498 3.210 -2.802 1.00 0.00 H new ATOM 366 N VAL A 24 6.609 -5.292 -7.035 1.00 0.00 N ATOM 367 CA VAL A 24 6.183 -6.636 -6.713 1.00 0.00 C ATOM 368 C VAL A 24 5.895 -7.290 -8.070 1.00 0.00 C ATOM 369 O VAL A 24 6.817 -7.586 -8.828 1.00 0.00 O ATOM 370 CB VAL A 24 5.012 -6.521 -5.710 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.447 -7.860 -5.212 1.00 0.00 C ATOM 372 CG2 VAL A 24 5.237 -5.580 -4.515 1.00 0.00 C ATOM 0 H VAL A 24 5.930 -4.772 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 24 6.904 -7.276 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 24 4.260 -6.052 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.631 -7.673 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.075 -8.436 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.234 -8.422 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.351 -5.579 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.096 -5.923 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.424 -4.569 -4.878 1.00 0.00 H new ATOM 382 N GLU A 25 4.613 -7.431 -8.387 1.00 0.00 N ATOM 383 CA GLU A 25 4.023 -7.914 -9.619 1.00 0.00 C ATOM 384 C GLU A 25 3.993 -9.442 -9.646 1.00 0.00 C ATOM 385 O GLU A 25 5.000 -10.107 -9.889 1.00 0.00 O ATOM 386 CB GLU A 25 4.581 -7.264 -10.900 1.00 0.00 C ATOM 387 CG GLU A 25 3.370 -6.965 -11.801 1.00 0.00 C ATOM 388 CD GLU A 25 3.630 -6.637 -13.270 1.00 0.00 C ATOM 389 OE1 GLU A 25 4.800 -6.519 -13.704 1.00 0.00 O ATOM 390 OE2 GLU A 25 2.620 -6.597 -14.010 1.00 0.00 O ATOM 0 H GLU A 25 3.890 -7.182 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 25 2.987 -7.576 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.125 -6.349 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.282 -7.932 -11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.706 -7.829 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.827 -6.127 -11.363 1.00 0.00 H new ATOM 397 N SER A 26 2.808 -9.986 -9.379 1.00 0.00 N ATOM 398 CA SER A 26 2.404 -11.374 -9.538 1.00 0.00 C ATOM 399 C SER A 26 3.433 -12.355 -8.972 1.00 0.00 C ATOM 400 O SER A 26 3.901 -13.256 -9.670 1.00 0.00 O ATOM 401 CB SER A 26 2.064 -11.608 -11.012 1.00 0.00 C ATOM 402 OG SER A 26 1.070 -10.693 -11.445 1.00 0.00 O ATOM 0 H SER A 26 2.044 -9.416 -9.015 1.00 0.00 H new ATOM 0 HA SER A 26 1.511 -11.571 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.961 -11.494 -11.621 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.711 -12.630 -11.152 1.00 0.00 H new ATOM 0 HG SER A 26 0.865 -10.855 -12.390 1.00 0.00 H new ATOM 408 N SER A 27 3.791 -12.163 -7.701 1.00 0.00 N ATOM 409 CA SER A 27 4.780 -12.936 -6.963 1.00 0.00 C ATOM 410 C SER A 27 4.123 -14.102 -6.223 1.00 0.00 C ATOM 411 O SER A 27 4.437 -15.264 -6.469 1.00 0.00 O ATOM 412 CB SER A 27 5.474 -11.980 -5.987 1.00 0.00 C ATOM 413 OG SER A 27 4.508 -11.204 -5.294 1.00 0.00 O ATOM 0 H SER A 27 3.375 -11.425 -7.133 1.00 0.00 H new ATOM 0 HA SER A 27 5.509 -13.372 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.075 -12.547 -5.276 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.156 -11.326 -6.530 1.00 0.00 H new ATOM 0 HG SER A 27 4.958 -10.627 -4.642 1.00 0.00 H new ATOM 419 N SER A 28 3.196 -13.801 -5.314 1.00 0.00 N ATOM 420 CA SER A 28 2.531 -14.753 -4.435 1.00 0.00 C ATOM 421 C SER A 28 1.259 -14.102 -3.898 1.00 0.00 C ATOM 422 O SER A 28 1.188 -12.872 -3.803 1.00 0.00 O ATOM 423 CB SER A 28 3.496 -15.095 -3.300 1.00 0.00 C ATOM 424 OG SER A 28 2.913 -15.930 -2.328 1.00 0.00 O ATOM 0 H SER A 28 2.876 -12.844 -5.166 1.00 0.00 H new ATOM 0 HA SER A 28 2.259 -15.669 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.378 -15.585 -3.713 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.835 -14.174 -2.826 1.00 0.00 H new ATOM 0 HG SER A 28 3.569 -16.121 -1.625 1.00 0.00 H new ATOM 430 N LYS A 29 0.278 -14.903 -3.468 1.00 0.00 N ATOM 431 CA LYS A 29 -0.834 -14.365 -2.686 1.00 0.00 C ATOM 432 C LYS A 29 -0.363 -13.900 -1.301 1.00 0.00 C ATOM 433 O LYS A 29 -1.129 -13.207 -0.642 1.00 0.00 O ATOM 434 CB LYS A 29 -2.033 -15.336 -2.606 1.00 0.00 C ATOM 435 CG LYS A 29 -3.048 -15.146 -3.750 1.00 0.00 C ATOM 436 CD LYS A 29 -2.607 -15.729 -5.099 1.00 0.00 C ATOM 437 CE LYS A 29 -2.767 -17.256 -5.118 1.00 0.00 C ATOM 438 NZ LYS A 29 -2.191 -17.847 -6.340 1.00 0.00 N ATOM 0 H LYS A 29 0.233 -15.907 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.203 -13.487 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.663 -16.361 -2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.541 -15.197 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.992 -15.608 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.239 -14.080 -3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.199 -15.288 -5.901 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.566 -15.467 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.280 -17.684 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.824 -17.512 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.317 -18.879 -6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.673 -17.456 -7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.177 -17.623 -6.389 1.00 0.00 H new ATOM 452 N LEU A 30 0.884 -14.160 -0.876 1.00 0.00 N ATOM 453 CA LEU A 30 1.489 -13.509 0.283 1.00 0.00 C ATOM 454 C LEU A 30 1.394 -11.987 0.138 1.00 0.00 C ATOM 455 O LEU A 30 0.974 -11.309 1.070 1.00 0.00 O ATOM 456 CB LEU A 30 2.954 -13.965 0.442 1.00 0.00 C ATOM 457 CG LEU A 30 3.731 -13.157 1.502 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.101 -13.297 2.892 1.00 0.00 C ATOM 459 CD2 LEU A 30 5.201 -13.588 1.560 1.00 0.00 C ATOM 0 H LEU A 30 1.499 -14.833 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 30 0.946 -13.798 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.972 -15.020 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.462 -13.875 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 30 3.679 -12.111 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.675 -12.714 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.075 -12.931 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.104 -14.346 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.723 -13.001 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.260 -14.646 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.667 -13.424 0.588 1.00 0.00 H new ATOM 471 N TRP A 31 1.771 -11.443 -1.025 1.00 0.00 N ATOM 472 CA TRP A 31 1.643 -10.014 -1.289 1.00 0.00 C ATOM 473 C TRP A 31 0.168 -9.599 -1.135 1.00 0.00 C ATOM 474 O TRP A 31 -0.153 -8.659 -0.403 1.00 0.00 O ATOM 475 CB TRP A 31 2.222 -9.673 -2.669 1.00 0.00 C ATOM 476 CG TRP A 31 1.538 -8.573 -3.413 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.600 -7.246 -3.143 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.589 -8.716 -4.507 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.862 -6.560 -4.080 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.184 -7.418 -4.915 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.016 -9.810 -5.158 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.788 -7.217 -5.898 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -1.012 -9.618 -6.136 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.412 -8.322 -6.497 1.00 0.00 C ATOM 0 H TRP A 31 2.168 -11.977 -1.798 1.00 0.00 H new ATOM 0 HA TRP A 31 2.221 -9.442 -0.564 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.271 -9.403 -2.544 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.195 -10.572 -3.284 1.00 0.00 H new ATOM 0 HD1 TRP A 31 2.142 -6.799 -2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.822 -5.543 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.289 -10.814 -4.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.058 -6.215 -6.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.470 -10.473 -6.611 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.193 -8.177 -7.229 1.00 0.00 H new ATOM 495 N ALA A 32 -0.730 -10.323 -1.815 1.00 0.00 N ATOM 496 CA ALA A 32 -2.174 -10.089 -1.850 1.00 0.00 C ATOM 497 C ALA A 32 -2.804 -10.082 -0.453 1.00 0.00 C ATOM 498 O ALA A 32 -3.713 -9.293 -0.193 1.00 0.00 O ATOM 499 CB ALA A 32 -2.864 -11.120 -2.750 1.00 0.00 C ATOM 0 H ALA A 32 -0.454 -11.125 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.325 -9.094 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.937 -10.930 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.469 -11.042 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.678 -12.122 -2.364 1.00 0.00 H new ATOM 505 N GLN A 33 -2.265 -10.873 0.477 1.00 0.00 N ATOM 506 CA GLN A 33 -2.638 -10.917 1.885 1.00 0.00 C ATOM 507 C GLN A 33 -2.518 -9.541 2.564 1.00 0.00 C ATOM 508 O GLN A 33 -3.131 -9.321 3.604 1.00 0.00 O ATOM 509 CB GLN A 33 -1.770 -11.989 2.577 1.00 0.00 C ATOM 510 CG GLN A 33 -2.560 -12.924 3.498 1.00 0.00 C ATOM 511 CD GLN A 33 -2.919 -12.296 4.841 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.077 -11.688 5.502 1.00 0.00 O ATOM 513 NE2 GLN A 33 -4.150 -12.462 5.283 1.00 0.00 N ATOM 0 H GLN A 33 -1.519 -11.532 0.253 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.690 -11.186 1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.268 -12.584 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.992 -11.494 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.476 -13.230 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.976 -13.827 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.831 -12.969 4.718 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.422 -12.083 6.190 1.00 0.00 H new ATOM 522 N CYS A 34 -1.804 -8.586 1.967 1.00 0.00 N ATOM 523 CA CYS A 34 -1.740 -7.198 2.403 1.00 0.00 C ATOM 524 C CYS A 34 -2.385 -6.249 1.420 1.00 0.00 C ATOM 525 O CYS A 34 -2.741 -5.130 1.792 1.00 0.00 O ATOM 526 CB CYS A 34 -0.274 -6.851 2.616 1.00 0.00 C ATOM 527 SG CYS A 34 -0.014 -5.874 4.119 1.00 0.00 S ATOM 0 H CYS A 34 -1.237 -8.768 1.139 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.304 -7.087 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.310 -7.769 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.095 -6.294 1.754 1.00 0.00 H new ATOM 0 HG CYS A 34 1.208 -5.431 4.142 1.00 0.00 H new ATOM 533 N VAL A 35 -2.598 -6.684 0.185 1.00 0.00 N ATOM 534 CA VAL A 35 -3.365 -5.888 -0.733 1.00 0.00 C ATOM 535 C VAL A 35 -4.792 -5.769 -0.209 1.00 0.00 C ATOM 536 O VAL A 35 -5.282 -4.647 -0.189 1.00 0.00 O ATOM 537 CB VAL A 35 -3.325 -6.455 -2.148 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.079 -5.538 -3.102 1.00 0.00 C ATOM 539 CG2 VAL A 35 -1.901 -6.531 -2.671 1.00 0.00 C ATOM 0 H VAL A 35 -2.253 -7.568 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.924 -4.893 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.772 -7.448 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.044 -5.953 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.117 -5.453 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.616 -4.551 -3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.906 -6.939 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.465 -5.532 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.309 -7.176 -2.022 1.00 0.00 H new ATOM 549 N GLN A 36 -5.436 -6.849 0.247 1.00 0.00 N ATOM 550 CA GLN A 36 -6.797 -6.804 0.790 1.00 0.00 C ATOM 551 C GLN A 36 -7.000 -5.607 1.731 1.00 0.00 C ATOM 552 O GLN A 36 -7.847 -4.753 1.476 1.00 0.00 O ATOM 553 CB GLN A 36 -7.169 -8.132 1.473 1.00 0.00 C ATOM 554 CG GLN A 36 -6.040 -8.786 2.297 1.00 0.00 C ATOM 555 CD GLN A 36 -6.528 -9.474 3.567 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.643 -9.984 3.653 1.00 0.00 O ATOM 557 NE2 GLN A 36 -5.706 -9.506 4.596 1.00 0.00 N ATOM 0 H GLN A 36 -5.025 -7.783 0.250 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.477 -6.664 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.022 -7.958 2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.494 -8.837 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.524 -9.516 1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.309 -8.023 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.781 -9.082 4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.995 -9.954 5.466 1.00 0.00 H new ATOM 566 N LEU A 37 -6.165 -5.496 2.771 1.00 0.00 N ATOM 567 CA LEU A 37 -6.221 -4.434 3.764 1.00 0.00 C ATOM 568 C LEU A 37 -6.148 -3.047 3.130 1.00 0.00 C ATOM 569 O LEU A 37 -6.787 -2.132 3.641 1.00 0.00 O ATOM 570 CB LEU A 37 -5.096 -4.622 4.808 1.00 0.00 C ATOM 571 CG LEU A 37 -5.574 -4.683 6.272 1.00 0.00 C ATOM 572 CD1 LEU A 37 -6.255 -3.388 6.730 1.00 0.00 C ATOM 573 CD2 LEU A 37 -6.494 -5.891 6.511 1.00 0.00 C ATOM 0 H LEU A 37 -5.414 -6.164 2.943 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.187 -4.502 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.557 -5.541 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.385 -3.802 4.707 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.677 -4.803 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.570 -3.490 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.554 -2.558 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.126 -3.194 6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.813 -5.905 7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.368 -5.816 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.954 -6.810 6.285 1.00 0.00 H new ATOM 585 N HIS A 38 -5.426 -2.863 2.017 1.00 0.00 N ATOM 586 CA HIS A 38 -5.354 -1.554 1.376 1.00 0.00 C ATOM 587 C HIS A 38 -6.722 -1.021 1.011 1.00 0.00 C ATOM 588 O HIS A 38 -6.922 0.171 1.194 1.00 0.00 O ATOM 589 CB HIS A 38 -4.424 -1.503 0.159 1.00 0.00 C ATOM 590 CG HIS A 38 -5.111 -1.523 -1.200 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.452 -2.653 -1.906 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.572 -0.448 -1.910 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.083 -2.291 -3.028 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.195 -0.943 -3.045 1.00 0.00 N ATOM 0 H HIS A 38 -4.892 -3.596 1.551 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.914 -0.905 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.818 -0.599 0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.740 -2.350 0.212 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.255 -3.612 -1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.470 0.592 -1.637 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.443 -2.963 -3.793 1.00 0.00 H new ATOM 603 N ASN A 39 -7.623 -1.852 0.469 1.00 0.00 N ATOM 604 CA ASN A 39 -8.956 -1.405 0.063 1.00 0.00 C ATOM 605 C ASN A 39 -9.616 -0.731 1.258 1.00 0.00 C ATOM 606 O ASN A 39 -10.163 0.366 1.170 1.00 0.00 O ATOM 607 CB ASN A 39 -9.789 -2.593 -0.447 1.00 0.00 C ATOM 608 CG ASN A 39 -11.277 -2.287 -0.422 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.791 -1.724 -1.380 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.972 -2.650 0.642 1.00 0.00 N ATOM 0 H ASN A 39 -7.448 -2.843 0.302 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.884 -0.691 -0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.485 -2.841 -1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.587 -3.470 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.974 -2.463 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.507 -3.117 1.420 1.00 0.00 H new ATOM 617 N ASP A 40 -9.482 -1.374 2.410 1.00 0.00 N ATOM 618 CA ASP A 40 -10.154 -0.972 3.619 1.00 0.00 C ATOM 619 C ASP A 40 -9.443 0.251 4.234 1.00 0.00 C ATOM 620 O ASP A 40 -10.064 1.084 4.896 1.00 0.00 O ATOM 621 CB ASP A 40 -10.155 -2.171 4.592 1.00 0.00 C ATOM 622 CG ASP A 40 -11.081 -3.332 4.179 1.00 0.00 C ATOM 623 OD1 ASP A 40 -10.982 -3.802 3.022 1.00 0.00 O ATOM 624 OD2 ASP A 40 -11.875 -3.812 5.020 1.00 0.00 O ATOM 0 H ASP A 40 -8.894 -2.199 2.523 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.183 -0.680 3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.137 -2.550 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.453 -1.820 5.580 1.00 0.00 H new ATOM 629 N ILE A 41 -8.135 0.397 4.012 1.00 0.00 N ATOM 630 CA ILE A 41 -7.328 1.545 4.372 1.00 0.00 C ATOM 631 C ILE A 41 -7.779 2.789 3.599 1.00 0.00 C ATOM 632 O ILE A 41 -7.615 3.866 4.158 1.00 0.00 O ATOM 633 CB ILE A 41 -5.824 1.209 4.176 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.326 0.165 5.208 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.916 2.434 4.198 1.00 0.00 C ATOM 636 CD1 ILE A 41 -4.829 0.724 6.549 1.00 0.00 C ATOM 0 H ILE A 41 -7.588 -0.329 3.549 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.468 1.781 5.427 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.760 0.780 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.138 -0.534 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.517 -0.407 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.881 2.123 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.204 3.115 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.013 2.942 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.507 -0.098 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.990 1.398 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.637 1.269 7.038 1.00 0.00 H new ATOM 648 N LEU A 42 -8.380 2.712 2.394 1.00 0.00 N ATOM 649 CA LEU A 42 -8.701 3.937 1.645 1.00 0.00 C ATOM 650 C LEU A 42 -9.613 4.873 2.402 1.00 0.00 C ATOM 651 O LEU A 42 -9.505 6.084 2.219 1.00 0.00 O ATOM 652 CB LEU A 42 -9.358 3.701 0.272 1.00 0.00 C ATOM 653 CG LEU A 42 -8.449 3.451 -0.944 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.026 3.997 -0.808 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.375 1.959 -1.211 1.00 0.00 C ATOM 0 H LEU A 42 -8.645 1.842 1.933 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.716 4.381 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.027 2.846 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.979 4.568 0.049 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.905 3.996 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.462 3.772 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.063 5.077 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.538 3.531 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.732 1.775 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.965 1.453 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.375 1.576 -1.416 1.00 0.00 H new ATOM 667 N LEU A 43 -10.482 4.328 3.246 1.00 0.00 N ATOM 668 CA LEU A 43 -11.315 5.138 4.120 1.00 0.00 C ATOM 669 C LEU A 43 -10.910 4.909 5.565 1.00 0.00 C ATOM 670 O LEU A 43 -11.739 4.541 6.395 1.00 0.00 O ATOM 671 CB LEU A 43 -12.809 4.897 3.831 1.00 0.00 C ATOM 672 CG LEU A 43 -13.409 5.558 2.575 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.673 6.818 2.118 1.00 0.00 C ATOM 674 CD2 LEU A 43 -13.483 4.560 1.418 1.00 0.00 C ATOM 0 H LEU A 43 -10.626 3.323 3.342 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.156 6.198 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.967 3.821 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.378 5.240 4.695 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.411 5.872 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.159 7.221 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.698 7.563 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.637 6.570 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.910 5.049 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.481 4.202 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.111 3.717 1.705 1.00 0.00 H new ATOM 686 N ALA A 44 -9.622 5.080 5.861 1.00 0.00 N ATOM 687 CA ALA A 44 -9.137 4.900 7.223 1.00 0.00 C ATOM 688 C ALA A 44 -9.479 6.156 8.041 1.00 0.00 C ATOM 689 O ALA A 44 -10.258 6.101 8.997 1.00 0.00 O ATOM 690 CB ALA A 44 -7.643 4.550 7.199 1.00 0.00 C ATOM 0 H ALA A 44 -8.905 5.340 5.183 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.629 4.061 7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.284 4.416 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.494 3.627 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.088 5.358 6.722 1.00 0.00 H new ATOM 696 N LYS A 45 -8.935 7.309 7.642 1.00 0.00 N ATOM 697 CA LYS A 45 -9.004 8.563 8.395 1.00 0.00 C ATOM 698 C LYS A 45 -9.460 9.675 7.462 1.00 0.00 C ATOM 699 O LYS A 45 -10.627 10.069 7.481 1.00 0.00 O ATOM 700 CB LYS A 45 -7.652 8.766 9.112 1.00 0.00 C ATOM 701 CG LYS A 45 -7.615 9.894 10.157 1.00 0.00 C ATOM 702 CD LYS A 45 -7.492 11.275 9.513 1.00 0.00 C ATOM 703 CE LYS A 45 -7.227 12.366 10.550 1.00 0.00 C ATOM 704 NZ LYS A 45 -6.944 13.663 9.901 1.00 0.00 N ATOM 0 H LYS A 45 -8.422 7.398 6.765 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.751 8.556 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.378 7.832 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.889 8.967 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.521 9.857 10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.774 9.734 10.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.683 11.264 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.409 11.505 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.092 12.466 11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.383 12.078 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.214 14.437 10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.929 13.729 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.490 13.736 9.019 1.00 0.00 H new ATOM 718 N ASP A 46 -8.573 10.093 6.578 1.00 0.00 N ATOM 719 CA ASP A 46 -8.688 11.142 5.568 1.00 0.00 C ATOM 720 C ASP A 46 -8.028 10.545 4.337 1.00 0.00 C ATOM 721 O ASP A 46 -7.177 9.672 4.493 1.00 0.00 O ATOM 722 CB ASP A 46 -7.902 12.404 5.973 1.00 0.00 C ATOM 723 CG ASP A 46 -8.782 13.510 6.547 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.493 14.185 5.770 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.696 13.778 7.767 1.00 0.00 O ATOM 0 H ASP A 46 -7.650 9.660 6.542 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.727 11.439 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.147 12.131 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.372 12.788 5.101 1.00 0.00 H new ATOM 730 N THR A 47 -8.347 11.036 3.142 1.00 0.00 N ATOM 731 CA THR A 47 -7.797 10.561 1.871 1.00 0.00 C ATOM 732 C THR A 47 -6.262 10.678 1.826 1.00 0.00 C ATOM 733 O THR A 47 -5.617 9.995 1.032 1.00 0.00 O ATOM 734 CB THR A 47 -8.499 11.353 0.753 1.00 0.00 C ATOM 735 OG1 THR A 47 -9.891 11.071 0.809 1.00 0.00 O ATOM 736 CG2 THR A 47 -7.985 11.071 -0.658 1.00 0.00 C ATOM 0 H THR A 47 -9.015 11.798 3.026 1.00 0.00 H new ATOM 0 HA THR A 47 -7.989 9.496 1.740 1.00 0.00 H new ATOM 0 HB THR A 47 -8.280 12.405 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.354 11.569 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.541 11.675 -1.375 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.926 11.321 -0.716 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.122 10.015 -0.891 1.00 0.00 H new ATOM 744 N THR A 48 -5.679 11.503 2.696 1.00 0.00 N ATOM 745 CA THR A 48 -4.260 11.539 2.972 1.00 0.00 C ATOM 746 C THR A 48 -3.889 10.270 3.763 1.00 0.00 C ATOM 747 O THR A 48 -3.506 9.270 3.158 1.00 0.00 O ATOM 748 CB THR A 48 -3.945 12.860 3.715 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.751 13.940 3.282 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.497 13.284 3.558 1.00 0.00 C ATOM 0 H THR A 48 -6.208 12.184 3.241 1.00 0.00 H new ATOM 0 HA THR A 48 -3.654 11.534 2.066 1.00 0.00 H new ATOM 0 HB THR A 48 -4.159 12.638 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.513 14.748 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.330 14.216 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.845 12.509 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.274 13.432 2.501 1.00 0.00 H new ATOM 758 N GLU A 49 -4.051 10.269 5.093 1.00 0.00 N ATOM 759 CA GLU A 49 -3.458 9.278 5.994 1.00 0.00 C ATOM 760 C GLU A 49 -3.994 7.849 5.791 1.00 0.00 C ATOM 761 O GLU A 49 -3.397 6.880 6.263 1.00 0.00 O ATOM 762 CB GLU A 49 -3.635 9.753 7.449 1.00 0.00 C ATOM 763 CG GLU A 49 -2.417 9.383 8.315 1.00 0.00 C ATOM 764 CD GLU A 49 -2.255 10.313 9.520 1.00 0.00 C ATOM 765 OE1 GLU A 49 -1.976 11.518 9.313 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.393 9.862 10.679 1.00 0.00 O ATOM 0 H GLU A 49 -4.609 10.971 5.579 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.397 9.209 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.780 10.833 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.534 9.305 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.521 8.356 8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.515 9.423 7.705 1.00 0.00 H new ATOM 773 N ALA A 50 -5.118 7.712 5.086 1.00 0.00 N ATOM 774 CA ALA A 50 -5.583 6.501 4.450 1.00 0.00 C ATOM 775 C ALA A 50 -4.580 6.030 3.402 1.00 0.00 C ATOM 776 O ALA A 50 -3.797 5.120 3.662 1.00 0.00 O ATOM 777 CB ALA A 50 -6.944 6.792 3.810 1.00 0.00 C ATOM 0 H ALA A 50 -5.757 8.494 4.942 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.684 5.704 5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.317 5.891 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.649 7.106 4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.836 7.586 3.071 1.00 0.00 H new ATOM 783 N PHE A 51 -4.638 6.611 2.202 1.00 0.00 N ATOM 784 CA PHE A 51 -3.864 6.144 1.058 1.00 0.00 C ATOM 785 C PHE A 51 -2.364 6.103 1.383 1.00 0.00 C ATOM 786 O PHE A 51 -1.660 5.199 0.928 1.00 0.00 O ATOM 787 CB PHE A 51 -4.149 6.972 -0.204 1.00 0.00 C ATOM 788 CG PHE A 51 -2.898 7.532 -0.874 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.083 6.687 -1.659 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.448 8.833 -0.577 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.868 7.148 -2.180 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.223 9.294 -1.091 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.445 8.452 -1.904 1.00 0.00 C ATOM 0 H PHE A 51 -5.225 7.420 1.999 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.183 5.124 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.685 6.350 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.810 7.799 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.400 5.674 -1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.046 9.479 0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.260 6.499 -2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.881 10.292 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.485 8.814 -2.318 1.00 0.00 H new ATOM 803 N GLU A 52 -1.882 7.050 2.189 1.00 0.00 N ATOM 804 CA GLU A 52 -0.527 7.067 2.699 1.00 0.00 C ATOM 805 C GLU A 52 -0.170 5.693 3.267 1.00 0.00 C ATOM 806 O GLU A 52 0.770 5.041 2.803 1.00 0.00 O ATOM 807 CB GLU A 52 -0.390 8.195 3.728 1.00 0.00 C ATOM 808 CG GLU A 52 -0.253 9.539 2.999 1.00 0.00 C ATOM 809 CD GLU A 52 0.000 10.733 3.921 1.00 0.00 C ATOM 810 OE1 GLU A 52 -0.447 10.717 5.091 1.00 0.00 O ATOM 811 OE2 GLU A 52 0.584 11.718 3.415 1.00 0.00 O ATOM 0 H GLU A 52 -2.442 7.841 2.507 1.00 0.00 H new ATOM 0 HA GLU A 52 0.184 7.269 1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.261 8.212 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.481 8.021 4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.565 9.468 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.162 9.723 2.427 1.00 0.00 H new ATOM 818 N LYS A 53 -0.993 5.194 4.187 1.00 0.00 N ATOM 819 CA LYS A 53 -0.774 3.903 4.811 1.00 0.00 C ATOM 820 C LYS A 53 -0.981 2.749 3.841 1.00 0.00 C ATOM 821 O LYS A 53 -0.272 1.758 3.967 1.00 0.00 O ATOM 822 CB LYS A 53 -1.624 3.818 6.081 1.00 0.00 C ATOM 823 CG LYS A 53 -1.035 2.829 7.099 1.00 0.00 C ATOM 824 CD LYS A 53 -1.496 3.192 8.514 1.00 0.00 C ATOM 825 CE LYS A 53 -0.740 4.424 9.047 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.424 5.031 10.205 1.00 0.00 N ATOM 0 H LYS A 53 -1.828 5.678 4.517 1.00 0.00 H new ATOM 0 HA LYS A 53 0.271 3.809 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.698 4.806 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.637 3.511 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.349 1.814 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.054 2.847 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.567 3.393 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.333 2.345 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.271 4.134 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.646 5.164 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.884 5.857 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.380 5.331 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.491 4.333 10.973 1.00 0.00 H new ATOM 840 N MET A 54 -1.867 2.866 2.844 1.00 0.00 N ATOM 841 CA MET A 54 -2.027 1.898 1.745 1.00 0.00 C ATOM 842 C MET A 54 -0.706 1.592 1.041 1.00 0.00 C ATOM 843 O MET A 54 -0.517 0.478 0.548 1.00 0.00 O ATOM 844 CB MET A 54 -3.130 2.361 0.771 1.00 0.00 C ATOM 845 CG MET A 54 -2.855 2.051 -0.707 1.00 0.00 C ATOM 846 SD MET A 54 -4.001 2.770 -1.901 1.00 0.00 S ATOM 847 CE MET A 54 -2.863 3.170 -3.255 1.00 0.00 C ATOM 0 H MET A 54 -2.510 3.655 2.775 1.00 0.00 H new ATOM 0 HA MET A 54 -2.350 0.951 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.070 1.889 1.058 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.266 3.437 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 54 -1.849 2.396 -0.948 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.860 0.969 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.409 3.673 -4.053 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.075 3.826 -2.886 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.420 2.252 -3.641 1.00 0.00 H new ATOM 857 N VAL A 55 0.182 2.572 0.943 1.00 0.00 N ATOM 858 CA VAL A 55 1.522 2.377 0.424 1.00 0.00 C ATOM 859 C VAL A 55 2.350 1.677 1.508 1.00 0.00 C ATOM 860 O VAL A 55 2.967 0.651 1.214 1.00 0.00 O ATOM 861 CB VAL A 55 2.032 3.757 -0.047 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.494 3.755 -0.489 1.00 0.00 C ATOM 863 CG2 VAL A 55 1.137 4.276 -1.195 1.00 0.00 C ATOM 0 H VAL A 55 -0.013 3.533 1.225 1.00 0.00 H new ATOM 0 HA VAL A 55 1.584 1.723 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 55 1.975 4.420 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.780 4.758 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.125 3.444 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.622 3.062 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.498 5.250 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.170 3.574 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.110 4.371 -0.841 1.00 0.00 H new ATOM 873 N SER A 56 2.300 2.153 2.754 1.00 0.00 N ATOM 874 CA SER A 56 3.183 1.712 3.821 1.00 0.00 C ATOM 875 C SER A 56 3.091 0.221 4.135 1.00 0.00 C ATOM 876 O SER A 56 4.125 -0.444 4.225 1.00 0.00 O ATOM 877 CB SER A 56 2.960 2.575 5.060 1.00 0.00 C ATOM 878 OG SER A 56 3.938 2.288 6.033 1.00 0.00 O ATOM 0 H SER A 56 1.633 2.866 3.048 1.00 0.00 H new ATOM 0 HA SER A 56 4.204 1.847 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.003 3.630 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.966 2.390 5.467 1.00 0.00 H new ATOM 0 HG SER A 56 3.787 2.848 6.823 1.00 0.00 H new ATOM 884 N LEU A 57 1.880 -0.336 4.226 1.00 0.00 N ATOM 885 CA LEU A 57 1.668 -1.778 4.378 1.00 0.00 C ATOM 886 C LEU A 57 2.479 -2.555 3.364 1.00 0.00 C ATOM 887 O LEU A 57 3.122 -3.526 3.736 1.00 0.00 O ATOM 888 CB LEU A 57 0.210 -2.239 4.220 1.00 0.00 C ATOM 889 CG LEU A 57 -0.711 -1.315 3.411 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.461 -2.075 2.316 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.733 -0.748 4.395 1.00 0.00 C ATOM 0 H LEU A 57 1.015 0.204 4.196 1.00 0.00 H new ATOM 0 HA LEU A 57 1.981 -1.978 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.211 -3.221 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.219 -2.365 5.214 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.116 -0.541 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.101 -1.385 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.744 -2.527 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.073 -2.856 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.415 -0.081 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.299 -1.565 4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.216 -0.193 5.177 1.00 0.00 H new ATOM 903 N LEU A 58 2.405 -2.186 2.086 1.00 0.00 N ATOM 904 CA LEU A 58 3.140 -2.919 1.060 1.00 0.00 C ATOM 905 C LEU A 58 4.641 -2.710 1.165 1.00 0.00 C ATOM 906 O LEU A 58 5.375 -3.645 0.845 1.00 0.00 O ATOM 907 CB LEU A 58 2.639 -2.592 -0.351 1.00 0.00 C ATOM 908 CG LEU A 58 1.326 -3.297 -0.743 1.00 0.00 C ATOM 909 CD1 LEU A 58 1.333 -3.660 -2.241 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.927 -4.558 0.043 1.00 0.00 C ATOM 0 H LEU A 58 1.854 -1.399 1.742 1.00 0.00 H new ATOM 0 HA LEU A 58 2.945 -3.975 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.496 -1.514 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.412 -2.865 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 58 0.578 -2.548 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.398 -4.157 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.437 -2.752 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.169 -4.328 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.016 -4.944 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.702 -5.316 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.812 -4.308 1.098 1.00 0.00 H new ATOM 922 N SER A 59 5.089 -1.546 1.624 1.00 0.00 N ATOM 923 CA SER A 59 6.490 -1.248 1.872 1.00 0.00 C ATOM 924 C SER A 59 7.084 -2.135 2.971 1.00 0.00 C ATOM 925 O SER A 59 8.181 -2.662 2.816 1.00 0.00 O ATOM 926 CB SER A 59 6.620 0.254 2.158 1.00 0.00 C ATOM 927 OG SER A 59 6.059 0.991 1.084 1.00 0.00 O ATOM 0 H SER A 59 4.469 -0.765 1.839 1.00 0.00 H new ATOM 0 HA SER A 59 7.083 -1.483 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.111 0.503 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.669 0.521 2.287 1.00 0.00 H new ATOM 0 HG SER A 59 5.082 0.980 1.155 1.00 0.00 H new ATOM 933 N VAL A 60 6.340 -2.374 4.046 1.00 0.00 N ATOM 934 CA VAL A 60 6.795 -3.233 5.145 1.00 0.00 C ATOM 935 C VAL A 60 6.579 -4.719 4.803 1.00 0.00 C ATOM 936 O VAL A 60 7.413 -5.567 5.127 1.00 0.00 O ATOM 937 CB VAL A 60 6.149 -2.782 6.481 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.637 -3.022 6.578 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.845 -3.409 7.697 1.00 0.00 C ATOM 0 H VAL A 60 5.408 -1.982 4.184 1.00 0.00 H new ATOM 0 HA VAL A 60 7.871 -3.123 5.281 1.00 0.00 H new ATOM 0 HB VAL A 60 6.295 -1.702 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.275 -2.676 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.130 -2.474 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.430 -4.087 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.360 -3.066 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.776 -4.495 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.894 -3.112 7.709 1.00 0.00 H new ATOM 949 N LEU A 61 5.480 -5.075 4.128 1.00 0.00 N ATOM 950 CA LEU A 61 5.193 -6.442 3.687 1.00 0.00 C ATOM 951 C LEU A 61 6.226 -6.894 2.666 1.00 0.00 C ATOM 952 O LEU A 61 6.534 -8.081 2.613 1.00 0.00 O ATOM 953 CB LEU A 61 3.748 -6.491 3.158 1.00 0.00 C ATOM 954 CG LEU A 61 3.278 -7.564 2.161 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.903 -7.361 0.783 1.00 0.00 C ATOM 956 CD2 LEU A 61 3.361 -9.007 2.656 1.00 0.00 C ATOM 0 H LEU A 61 4.753 -4.408 3.869 1.00 0.00 H new ATOM 0 HA LEU A 61 5.267 -7.145 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.097 -6.566 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.551 -5.524 2.695 1.00 0.00 H new ATOM 0 HG LEU A 61 2.204 -7.405 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.548 -8.137 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.619 -6.383 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.989 -7.418 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.006 -9.680 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.395 -9.249 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.741 -9.123 3.545 1.00 0.00 H new ATOM 968 N LEU A 62 6.793 -5.974 1.882 1.00 0.00 N ATOM 969 CA LEU A 62 7.828 -6.256 0.908 1.00 0.00 C ATOM 970 C LEU A 62 8.959 -7.057 1.553 1.00 0.00 C ATOM 971 O LEU A 62 9.497 -7.942 0.900 1.00 0.00 O ATOM 972 CB LEU A 62 8.328 -4.935 0.311 1.00 0.00 C ATOM 973 CG LEU A 62 7.952 -4.748 -1.168 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.938 -3.262 -1.538 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.872 -5.507 -2.124 1.00 0.00 C ATOM 0 H LEU A 62 6.532 -4.989 1.915 1.00 0.00 H new ATOM 0 HA LEU A 62 7.425 -6.866 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.919 -4.106 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.412 -4.888 0.411 1.00 0.00 H new ATOM 0 HG LEU A 62 6.953 -5.168 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.670 -3.151 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.208 -2.740 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.927 -2.836 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.552 -5.333 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.896 -5.156 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.824 -6.574 -1.905 1.00 0.00 H new ATOM 987 N SER A 63 9.248 -6.820 2.838 1.00 0.00 N ATOM 988 CA SER A 63 10.313 -7.475 3.584 1.00 0.00 C ATOM 989 C SER A 63 10.171 -9.000 3.479 1.00 0.00 C ATOM 990 O SER A 63 10.977 -9.645 2.809 1.00 0.00 O ATOM 991 CB SER A 63 10.339 -6.905 5.009 1.00 0.00 C ATOM 992 OG SER A 63 11.469 -7.349 5.732 1.00 0.00 O ATOM 0 H SER A 63 8.727 -6.145 3.399 1.00 0.00 H new ATOM 0 HA SER A 63 11.295 -7.265 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.341 -5.816 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.432 -7.201 5.535 1.00 0.00 H new ATOM 0 HG SER A 63 11.452 -6.965 6.633 1.00 0.00 H new ATOM 998 N MET A 64 9.105 -9.566 4.047 1.00 0.00 N ATOM 999 CA MET A 64 8.780 -10.995 3.977 1.00 0.00 C ATOM 1000 C MET A 64 8.496 -11.451 2.556 1.00 0.00 C ATOM 1001 O MET A 64 8.634 -12.632 2.251 1.00 0.00 O ATOM 1002 CB MET A 64 7.543 -11.343 4.819 1.00 0.00 C ATOM 1003 CG MET A 64 6.272 -10.626 4.344 1.00 0.00 C ATOM 1004 SD MET A 64 4.832 -10.969 5.376 1.00 0.00 S ATOM 1005 CE MET A 64 5.074 -9.654 6.596 1.00 0.00 C ATOM 0 H MET A 64 8.424 -9.030 4.584 1.00 0.00 H new ATOM 0 HA MET A 64 9.661 -11.506 4.365 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.379 -12.420 4.786 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.734 -11.081 5.860 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.453 -9.551 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.055 -10.926 3.319 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.477 -9.866 7.483 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.127 -9.603 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.764 -8.700 6.169 1.00 0.00 H new ATOM 1015 N GLN A 65 8.036 -10.546 1.693 1.00 0.00 N ATOM 1016 CA GLN A 65 7.810 -10.836 0.294 1.00 0.00 C ATOM 1017 C GLN A 65 9.134 -11.135 -0.434 1.00 0.00 C ATOM 1018 O GLN A 65 9.100 -11.635 -1.560 1.00 0.00 O ATOM 1019 CB GLN A 65 7.081 -9.655 -0.370 1.00 0.00 C ATOM 1020 CG GLN A 65 5.664 -9.963 -0.854 1.00 0.00 C ATOM 1021 CD GLN A 65 5.669 -10.948 -2.007 1.00 0.00 C ATOM 1022 OE1 GLN A 65 5.844 -10.566 -3.159 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.447 -12.217 -1.726 1.00 0.00 N ATOM 0 H GLN A 65 7.811 -9.586 1.956 1.00 0.00 H new ATOM 0 HA GLN A 65 7.186 -11.727 0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.035 -8.830 0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.673 -9.313 -1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.078 -10.370 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.177 -9.039 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.305 -12.508 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.418 -12.908 -2.476 1.00 0.00 H new ATOM 1032 N GLY A 66 10.282 -10.836 0.182 1.00 0.00 N ATOM 1033 CA GLY A 66 11.617 -11.018 -0.356 1.00 0.00 C ATOM 1034 C GLY A 66 12.282 -9.674 -0.631 1.00 0.00 C ATOM 1035 O GLY A 66 12.918 -9.521 -1.677 1.00 0.00 O ATOM 0 H GLY A 66 10.296 -10.439 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.222 -11.590 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.566 -11.598 -1.277 1.00 0.00 H new ATOM 1039 N ALA A 67 12.141 -8.684 0.255 1.00 0.00 N ATOM 1040 CA ALA A 67 12.765 -7.373 0.083 1.00 0.00 C ATOM 1041 C ALA A 67 13.126 -6.785 1.444 1.00 0.00 C ATOM 1042 O ALA A 67 12.694 -5.690 1.798 1.00 0.00 O ATOM 1043 CB ALA A 67 11.844 -6.444 -0.718 1.00 0.00 C ATOM 0 H ALA A 67 11.591 -8.770 1.110 1.00 0.00 H new ATOM 0 HA ALA A 67 13.688 -7.483 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.323 -5.472 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.654 -6.878 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.900 -6.321 -0.187 1.00 0.00 H new ATOM 1049 N VAL A 68 13.906 -7.521 2.237 1.00 0.00 N ATOM 1050 CA VAL A 68 14.341 -7.076 3.559 1.00 0.00 C ATOM 1051 C VAL A 68 15.018 -5.693 3.499 1.00 0.00 C ATOM 1052 O VAL A 68 14.845 -4.860 4.393 1.00 0.00 O ATOM 1053 CB VAL A 68 15.214 -8.182 4.184 1.00 0.00 C ATOM 1054 CG1 VAL A 68 16.527 -8.435 3.423 1.00 0.00 C ATOM 1055 CG2 VAL A 68 15.519 -7.887 5.654 1.00 0.00 C ATOM 0 H VAL A 68 14.254 -8.444 1.979 1.00 0.00 H new ATOM 0 HA VAL A 68 13.482 -6.925 4.212 1.00 0.00 H new ATOM 0 HB VAL A 68 14.620 -9.093 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.089 -9.226 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.302 -8.738 2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.121 -7.521 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.136 -8.686 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.052 -6.940 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.586 -7.825 6.214 1.00 0.00 H new ATOM 1065 N ASP A 69 15.742 -5.416 2.413 1.00 0.00 N ATOM 1066 CA ASP A 69 16.280 -4.098 2.129 1.00 0.00 C ATOM 1067 C ASP A 69 15.342 -3.402 1.166 1.00 0.00 C ATOM 1068 O ASP A 69 15.637 -3.269 -0.022 1.00 0.00 O ATOM 1069 CB ASP A 69 17.719 -4.160 1.612 1.00 0.00 C ATOM 1070 CG ASP A 69 18.678 -4.484 2.741 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.691 -3.725 3.738 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.383 -5.517 2.649 1.00 0.00 O ATOM 0 H ASP A 69 15.970 -6.112 1.703 1.00 0.00 H new ATOM 0 HA ASP A 69 16.339 -3.519 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.798 -4.917 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.990 -3.206 1.160 1.00 0.00 H new ATOM 1077 N ILE A 70 14.228 -2.901 1.701 1.00 0.00 N ATOM 1078 CA ILE A 70 13.489 -1.809 1.090 1.00 0.00 C ATOM 1079 C ILE A 70 12.843 -0.897 2.146 1.00 0.00 C ATOM 1080 O ILE A 70 11.798 -0.305 1.901 1.00 0.00 O ATOM 1081 CB ILE A 70 12.536 -2.361 0.005 1.00 0.00 C ATOM 1082 CG1 ILE A 70 12.195 -1.336 -1.091 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.232 -2.956 0.548 1.00 0.00 C ATOM 1084 CD1 ILE A 70 13.433 -0.796 -1.810 1.00 0.00 C ATOM 0 H ILE A 70 13.817 -3.244 2.569 1.00 0.00 H new ATOM 0 HA ILE A 70 14.173 -1.142 0.565 1.00 0.00 H new ATOM 0 HB ILE A 70 13.118 -3.171 -0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.531 -1.800 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.648 -0.505 -0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.625 -3.319 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.461 -3.784 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.681 -2.189 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.127 -0.078 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.087 -0.305 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.968 -1.620 -2.282 1.00 0.00 H new ATOM 1096 N ASN A 71 13.452 -0.768 3.330 1.00 0.00 N ATOM 1097 CA ASN A 71 12.955 0.111 4.387 1.00 0.00 C ATOM 1098 C ASN A 71 13.879 1.312 4.528 1.00 0.00 C ATOM 1099 O ASN A 71 13.543 2.403 4.075 1.00 0.00 O ATOM 1100 CB ASN A 71 12.751 -0.682 5.689 1.00 0.00 C ATOM 1101 CG ASN A 71 12.117 0.179 6.774 1.00 0.00 C ATOM 1102 OD1 ASN A 71 11.145 0.885 6.531 1.00 0.00 O ATOM 1103 ND2 ASN A 71 12.631 0.137 7.989 1.00 0.00 N ATOM 0 H ASN A 71 14.303 -1.271 3.580 1.00 0.00 H new ATOM 0 HA ASN A 71 11.973 0.506 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.118 -1.547 5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.711 -1.062 6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.219 0.695 8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.440 -0.454 8.180 1.00 0.00 H new ATOM 1110 N ARG A 72 15.081 1.139 5.077 1.00 0.00 N ATOM 1111 CA ARG A 72 15.969 2.269 5.381 1.00 0.00 C ATOM 1112 C ARG A 72 16.417 3.024 4.138 1.00 0.00 C ATOM 1113 O ARG A 72 16.282 4.243 4.070 1.00 0.00 O ATOM 1114 CB ARG A 72 17.171 1.768 6.157 1.00 0.00 C ATOM 1115 CG ARG A 72 16.800 1.230 7.541 1.00 0.00 C ATOM 1116 CD ARG A 72 15.574 1.771 8.293 1.00 0.00 C ATOM 1117 NE ARG A 72 15.630 3.209 8.609 1.00 0.00 N ATOM 1118 CZ ARG A 72 16.458 3.851 9.441 1.00 0.00 C ATOM 1119 NH1 ARG A 72 17.421 3.223 10.104 1.00 0.00 N ATOM 1120 NH2 ARG A 72 16.312 5.154 9.617 1.00 0.00 N ATOM 0 H ARG A 72 15.466 0.227 5.322 1.00 0.00 H new ATOM 0 HA ARG A 72 15.401 2.979 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.664 0.981 5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.890 2.580 6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.664 0.153 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 72 17.665 1.383 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.684 1.579 7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.459 1.213 9.222 1.00 0.00 H new ATOM 0 HE ARG A 72 14.946 3.794 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.549 2.218 9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.034 3.746 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.575 5.656 9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.936 5.656 10.248 1.00 0.00 H new ATOM 1134 N LEU A 73 16.945 2.311 3.150 1.00 0.00 N ATOM 1135 CA LEU A 73 17.282 2.845 1.831 1.00 0.00 C ATOM 1136 C LEU A 73 16.048 3.209 0.995 1.00 0.00 C ATOM 1137 O LEU A 73 16.211 3.627 -0.151 1.00 0.00 O ATOM 1138 CB LEU A 73 18.184 1.859 1.062 1.00 0.00 C ATOM 1139 CG LEU A 73 17.507 0.559 0.571 1.00 0.00 C ATOM 1140 CD1 LEU A 73 18.505 -0.251 -0.264 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.000 -0.312 1.730 1.00 0.00 C ATOM 0 H LEU A 73 17.157 1.318 3.245 1.00 0.00 H new ATOM 0 HA LEU A 73 17.826 3.774 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.600 2.377 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.022 1.588 1.704 1.00 0.00 H new ATOM 0 HG LEU A 73 16.644 0.848 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 73 18.029 -1.168 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.824 0.339 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.372 -0.501 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.533 -1.213 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 73 17.838 -0.590 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.269 0.248 2.313 1.00 0.00 H new ATOM 1153 N CYS A 74 14.826 3.019 1.502 1.00 0.00 N ATOM 1154 CA CYS A 74 13.616 3.407 0.806 1.00 0.00 C ATOM 1155 C CYS A 74 12.961 4.586 1.493 1.00 0.00 C ATOM 1156 O CYS A 74 12.078 5.141 0.859 1.00 0.00 O ATOM 1157 CB CYS A 74 12.663 2.218 0.684 1.00 0.00 C ATOM 1158 SG CYS A 74 11.458 2.505 -0.645 1.00 0.00 S ATOM 0 H CYS A 74 14.658 2.589 2.412 1.00 0.00 H new ATOM 0 HA CYS A 74 13.877 3.722 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.229 1.309 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 74 12.142 2.063 1.629 1.00 0.00 H new ATOM 0 HG CYS A 74 10.659 1.483 -0.734 1.00 0.00 H new ATOM 1164 N GLU A 75 13.363 5.000 2.706 1.00 0.00 N ATOM 1165 CA GLU A 75 12.673 6.009 3.507 1.00 0.00 C ATOM 1166 C GLU A 75 12.368 7.275 2.691 1.00 0.00 C ATOM 1167 O GLU A 75 11.319 7.892 2.858 1.00 0.00 O ATOM 1168 CB GLU A 75 13.522 6.263 4.757 1.00 0.00 C ATOM 1169 CG GLU A 75 14.810 7.025 4.435 1.00 0.00 C ATOM 1170 CD GLU A 75 14.803 8.506 4.850 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.178 9.351 4.167 1.00 0.00 O ATOM 1172 OE2 GLU A 75 15.521 8.858 5.813 1.00 0.00 O ATOM 0 H GLU A 75 14.197 4.630 3.162 1.00 0.00 H new ATOM 0 HA GLU A 75 11.691 5.654 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.938 6.830 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.772 5.310 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.644 6.527 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.994 6.963 3.362 1.00 0.00 H new ATOM 1179 N GLU A 76 13.203 7.576 1.697 1.00 0.00 N ATOM 1180 CA GLU A 76 13.028 8.649 0.744 1.00 0.00 C ATOM 1181 C GLU A 76 11.770 8.556 -0.134 1.00 0.00 C ATOM 1182 O GLU A 76 11.526 9.487 -0.908 1.00 0.00 O ATOM 1183 CB GLU A 76 14.277 8.735 -0.133 1.00 0.00 C ATOM 1184 CG GLU A 76 15.329 9.635 0.514 1.00 0.00 C ATOM 1185 CD GLU A 76 16.369 9.980 -0.534 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.286 9.160 -0.772 1.00 0.00 O ATOM 1187 OE2 GLU A 76 16.204 11.035 -1.191 1.00 0.00 O ATOM 0 H GLU A 76 14.059 7.046 1.535 1.00 0.00 H new ATOM 0 HA GLU A 76 12.883 9.554 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.689 7.738 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.012 9.125 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.866 10.542 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.795 9.128 1.359 1.00 0.00 H new ATOM 1194 N MET A 77 10.970 7.490 -0.034 1.00 0.00 N ATOM 1195 CA MET A 77 9.734 7.300 -0.776 1.00 0.00 C ATOM 1196 C MET A 77 8.549 7.151 0.173 1.00 0.00 C ATOM 1197 O MET A 77 7.421 7.019 -0.301 1.00 0.00 O ATOM 1198 CB MET A 77 9.859 6.120 -1.755 1.00 0.00 C ATOM 1199 CG MET A 77 10.791 6.420 -2.938 1.00 0.00 C ATOM 1200 SD MET A 77 12.569 6.213 -2.631 1.00 0.00 S ATOM 1201 CE MET A 77 13.210 7.093 -4.080 1.00 0.00 C ATOM 0 H MET A 77 11.179 6.711 0.591 1.00 0.00 H new ATOM 0 HA MET A 77 9.547 8.190 -1.377 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.231 5.247 -1.218 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.870 5.863 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.509 5.773 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 77 10.616 7.447 -3.260 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.300 7.072 -4.066 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.850 6.609 -4.988 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.866 8.127 -4.059 1.00 0.00 H new ATOM 1211 N LEU A 78 8.767 7.182 1.490 1.00 0.00 N ATOM 1212 CA LEU A 78 7.743 7.086 2.501 1.00 0.00 C ATOM 1213 C LEU A 78 7.854 8.310 3.422 1.00 0.00 C ATOM 1214 O LEU A 78 7.006 9.201 3.437 1.00 0.00 O ATOM 1215 CB LEU A 78 7.950 5.774 3.283 1.00 0.00 C ATOM 1216 CG LEU A 78 8.235 4.459 2.530 1.00 0.00 C ATOM 1217 CD1 LEU A 78 7.107 4.023 1.592 1.00 0.00 C ATOM 1218 CD2 LEU A 78 9.590 4.259 1.855 1.00 0.00 C ATOM 0 H LEU A 78 9.703 7.279 1.884 1.00 0.00 H new ATOM 0 HA LEU A 78 6.746 7.073 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.777 5.937 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.057 5.614 3.887 1.00 0.00 H new ATOM 0 HG LEU A 78 8.287 3.794 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.383 3.091 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.193 3.873 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.940 4.795 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.616 3.281 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.741 5.036 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.381 4.317 2.603 1.00 0.00 H new ATOM 1230 N ASP A 79 8.959 8.401 4.154 1.00 0.00 N ATOM 1231 CA ASP A 79 9.247 9.457 5.113 1.00 0.00 C ATOM 1232 C ASP A 79 9.475 10.759 4.374 1.00 0.00 C ATOM 1233 O ASP A 79 8.861 11.763 4.682 1.00 0.00 O ATOM 1234 CB ASP A 79 10.472 9.107 5.960 1.00 0.00 C ATOM 1235 CG ASP A 79 10.093 8.043 6.982 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.433 8.381 7.992 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.379 6.844 6.763 1.00 0.00 O ATOM 0 H ASP A 79 9.708 7.712 4.091 1.00 0.00 H new ATOM 0 HA ASP A 79 8.395 9.564 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.277 8.743 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.844 9.998 6.467 1.00 0.00 H new ATOM 1242 N ASN A 80 10.280 10.770 3.326 1.00 0.00 N ATOM 1243 CA ASN A 80 10.480 12.004 2.565 1.00 0.00 C ATOM 1244 C ASN A 80 9.283 12.341 1.666 1.00 0.00 C ATOM 1245 O ASN A 80 9.191 13.443 1.116 1.00 0.00 O ATOM 1246 CB ASN A 80 11.731 11.780 1.751 1.00 0.00 C ATOM 1247 CG ASN A 80 12.275 12.990 1.011 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.159 13.682 1.496 1.00 0.00 O ATOM 1249 ND2 ASN A 80 11.840 13.214 -0.214 1.00 0.00 N ATOM 0 H ASN A 80 10.798 9.961 2.983 1.00 0.00 H new ATOM 0 HA ASN A 80 10.577 12.858 3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.510 11.406 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.530 10.995 1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.241 13.971 -0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.102 12.630 -0.608 1.00 0.00 H new ATOM 1256 N ARG A 81 8.363 11.384 1.485 1.00 0.00 N ATOM 1257 CA ARG A 81 7.172 11.546 0.660 1.00 0.00 C ATOM 1258 C ARG A 81 6.269 12.595 1.281 1.00 0.00 C ATOM 1259 O ARG A 81 5.812 13.496 0.581 1.00 0.00 O ATOM 1260 CB ARG A 81 6.415 10.207 0.556 1.00 0.00 C ATOM 1261 CG ARG A 81 5.542 10.079 -0.694 1.00 0.00 C ATOM 1262 CD ARG A 81 6.427 9.772 -1.893 1.00 0.00 C ATOM 1263 NE ARG A 81 5.703 9.864 -3.169 1.00 0.00 N ATOM 1264 CZ ARG A 81 6.239 10.243 -4.336 1.00 0.00 C ATOM 1265 NH1 ARG A 81 7.547 10.407 -4.469 1.00 0.00 N ATOM 1266 NH2 ARG A 81 5.467 10.460 -5.394 1.00 0.00 N ATOM 0 H ARG A 81 8.432 10.463 1.917 1.00 0.00 H new ATOM 0 HA ARG A 81 7.469 11.863 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.138 9.391 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.787 10.087 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.806 9.287 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.989 11.003 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.268 10.465 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.842 8.770 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 81 4.713 9.619 -3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.165 10.244 -3.674 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.936 10.696 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.457 10.338 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.884 10.749 -6.279 1.00 0.00 H new ATOM 1280 N ALA A 82 5.979 12.415 2.568 1.00 0.00 N ATOM 1281 CA ALA A 82 4.986 13.168 3.314 1.00 0.00 C ATOM 1282 C ALA A 82 5.227 13.059 4.824 1.00 0.00 C ATOM 1283 O ALA A 82 4.356 13.428 5.609 1.00 0.00 O ATOM 1284 CB ALA A 82 3.593 12.626 2.968 1.00 0.00 C ATOM 0 H ALA A 82 6.450 11.712 3.137 1.00 0.00 H new ATOM 0 HA ALA A 82 5.061 14.220 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.838 13.183 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.414 12.738 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.536 11.571 3.237 1.00 0.00 H new ATOM 1290 N THR A 83 6.368 12.513 5.259 1.00 0.00 N ATOM 1291 CA THR A 83 6.724 12.256 6.661 1.00 0.00 C ATOM 1292 C THR A 83 5.783 11.283 7.384 1.00 0.00 C ATOM 1293 O THR A 83 5.859 11.148 8.609 1.00 0.00 O ATOM 1294 CB THR A 83 7.043 13.577 7.391 1.00 0.00 C ATOM 1295 OG1 THR A 83 5.918 14.423 7.542 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.130 14.367 6.658 1.00 0.00 C ATOM 0 H THR A 83 7.103 12.224 4.614 1.00 0.00 H new ATOM 0 HA THR A 83 7.654 11.687 6.675 1.00 0.00 H new ATOM 0 HB THR A 83 7.384 13.276 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.134 14.002 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.333 15.293 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.041 13.770 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.792 14.601 5.649 1.00 0.00 H new ATOM 1304 N LEU A 84 4.932 10.571 6.635 1.00 0.00 N ATOM 1305 CA LEU A 84 3.787 9.833 7.177 1.00 0.00 C ATOM 1306 C LEU A 84 3.537 8.503 6.468 1.00 0.00 C ATOM 1307 O LEU A 84 2.837 7.655 7.021 1.00 0.00 O ATOM 1308 CB LEU A 84 2.523 10.702 7.043 1.00 0.00 C ATOM 1309 CG LEU A 84 1.674 10.869 8.317 1.00 0.00 C ATOM 1310 CD1 LEU A 84 1.203 9.534 8.906 1.00 0.00 C ATOM 1311 CD2 LEU A 84 2.414 11.673 9.395 1.00 0.00 C ATOM 0 H LEU A 84 5.022 10.491 5.622 1.00 0.00 H new ATOM 0 HA LEU A 84 4.017 9.610 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.823 11.692 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.892 10.272 6.265 1.00 0.00 H new ATOM 0 HG LEU A 84 0.790 11.423 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.610 9.720 9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.595 9.007 8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.069 8.925 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.781 11.768 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.336 11.158 9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.651 12.665 9.010 1.00 0.00 H new ATOM 1323 N GLN A 85 3.994 8.409 5.219 1.00 0.00 N ATOM 1324 CA GLN A 85 3.595 7.460 4.187 1.00 0.00 C ATOM 1325 C GLN A 85 4.319 6.112 4.334 1.00 0.00 C ATOM 1326 O GLN A 85 4.677 5.497 3.312 1.00 0.00 O ATOM 1327 CB GLN A 85 3.795 8.196 2.839 1.00 0.00 C ATOM 1328 CG GLN A 85 3.389 7.413 1.592 1.00 0.00 C ATOM 1329 CD GLN A 85 2.472 8.135 0.611 1.00 0.00 C ATOM 1330 OE1 GLN A 85 2.559 9.331 0.344 1.00 0.00 O ATOM 1331 NE2 GLN A 85 1.576 7.375 0.009 1.00 0.00 N ATOM 0 H GLN A 85 4.712 9.049 4.878 1.00 0.00 H new ATOM 0 HA GLN A 85 2.550 7.162 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.225 9.125 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.846 8.470 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.295 7.120 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.895 6.495 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 85 1.512 6.383 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.948 7.780 -0.685 1.00 0.00 H new TER 1340 GLN A 85