USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 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 -179:sc= 0 (180deg=-0.00699) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00582 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.48 K(o=0.48,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 1.33 (180deg=0.739) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0423 (180deg=-0.309) USER MOD Single : A 31 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.1) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= -0.0599 (180deg=-0.412) USER MOD Single : A 49 GLN : amide:sc= -0.429! C(o=-0.43!,f=-3.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.932 K(o=0.93,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.36) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 41:sc= 0.337 USER MOD Single : A 68 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.744 -5.421 1.406 1.00 22.43 N ATOM 2 CA MET A 1 -13.084 -6.009 2.577 1.00 32.34 C ATOM 3 C MET A 1 -11.791 -6.712 2.185 1.00 10.00 C ATOM 4 O MET A 1 -10.832 -6.592 2.938 1.00 33.51 O ATOM 5 CB MET A 1 -14.022 -6.910 3.385 1.00 54.45 C ATOM 6 CG MET A 1 -14.914 -6.056 4.289 1.00 21.12 C ATOM 7 SD MET A 1 -16.177 -6.992 5.184 1.00 11.13 S ATOM 8 CE MET A 1 -16.699 -5.743 6.387 1.00 40.13 C ATOM 0 H1 MET A 1 -14.622 -4.949 1.703 1.00 22.43 H new ATOM 0 H2 MET A 1 -13.110 -4.726 0.963 1.00 22.43 H new ATOM 0 H3 MET A 1 -13.969 -6.171 0.721 1.00 22.43 H new ATOM 0 HA MET A 1 -12.815 -5.189 3.243 1.00 32.34 H new ATOM 0 HB2 MET A 1 -14.637 -7.507 2.711 1.00 54.45 H new ATOM 0 HB3 MET A 1 -13.441 -7.608 3.988 1.00 54.45 H new ATOM 0 HG2 MET A 1 -14.286 -5.533 5.010 1.00 21.12 H new ATOM 0 HG3 MET A 1 -15.404 -5.295 3.682 1.00 21.12 H new ATOM 0 HE1 MET A 1 -17.468 -6.162 7.036 1.00 40.13 H new ATOM 0 HE2 MET A 1 -15.843 -5.437 6.988 1.00 40.13 H new ATOM 0 HE3 MET A 1 -17.101 -4.877 5.861 1.00 40.13 H new ATOM 18 N GLN A 2 -11.692 -7.382 1.028 1.00 1.42 N ATOM 19 CA GLN A 2 -10.467 -8.063 0.609 1.00 73.22 C ATOM 20 C GLN A 2 -9.754 -7.110 -0.346 1.00 23.23 C ATOM 21 O GLN A 2 -10.399 -6.425 -1.140 1.00 65.41 O ATOM 22 CB GLN A 2 -10.773 -9.417 -0.054 1.00 72.13 C ATOM 23 CG GLN A 2 -11.148 -10.462 1.007 1.00 13.42 C ATOM 24 CD GLN A 2 -11.352 -11.857 0.424 1.00 12.31 C ATOM 25 OE1 GLN A 2 -12.255 -12.090 -0.387 1.00 52.42 O ATOM 26 NE2 GLN A 2 -10.543 -12.817 0.832 1.00 50.14 N ATOM 0 H GLN A 2 -12.459 -7.465 0.361 1.00 1.42 H new ATOM 0 HA GLN A 2 -9.834 -8.296 1.465 1.00 73.22 H new ATOM 0 HB2 GLN A 2 -11.590 -9.304 -0.766 1.00 72.13 H new ATOM 0 HB3 GLN A 2 -9.904 -9.757 -0.617 1.00 72.13 H new ATOM 0 HG2 GLN A 2 -10.364 -10.501 1.763 1.00 13.42 H new ATOM 0 HG3 GLN A 2 -12.062 -10.148 1.511 1.00 13.42 H new ATOM 0 HE21 GLN A 2 -9.802 -12.609 1.502 1.00 50.14 H new ATOM 0 HE22 GLN A 2 -10.659 -13.766 0.477 1.00 50.14 H new ATOM 35 N ILE A 3 -8.432 -7.044 -0.224 1.00 12.41 N ATOM 36 CA ILE A 3 -7.511 -6.198 -0.972 1.00 34.42 C ATOM 37 C ILE A 3 -6.275 -7.053 -1.290 1.00 75.41 C ATOM 38 O ILE A 3 -6.069 -8.094 -0.667 1.00 64.02 O ATOM 39 CB ILE A 3 -7.190 -4.965 -0.068 1.00 50.52 C ATOM 40 CG1 ILE A 3 -8.480 -4.132 0.178 1.00 12.23 C ATOM 41 CG2 ILE A 3 -6.043 -4.086 -0.607 1.00 25.25 C ATOM 42 CD1 ILE A 3 -8.295 -2.799 0.910 1.00 35.52 C ATOM 0 H ILE A 3 -7.940 -7.626 0.453 1.00 12.41 H new ATOM 0 HA ILE A 3 -7.914 -5.827 -1.915 1.00 34.42 H new ATOM 0 HB ILE A 3 -6.830 -5.356 0.884 1.00 50.52 H new ATOM 0 HG12 ILE A 3 -8.947 -3.931 -0.786 1.00 12.23 H new ATOM 0 HG13 ILE A 3 -9.178 -4.743 0.750 1.00 12.23 H new ATOM 0 HG21 ILE A 3 -5.876 -3.250 0.072 1.00 25.25 H new ATOM 0 HG22 ILE A 3 -5.133 -4.681 -0.681 1.00 25.25 H new ATOM 0 HG23 ILE A 3 -6.309 -3.706 -1.593 1.00 25.25 H new ATOM 0 HD11 ILE A 3 -9.262 -2.309 1.023 1.00 35.52 H new ATOM 0 HD12 ILE A 3 -7.863 -2.981 1.894 1.00 35.52 H new ATOM 0 HD13 ILE A 3 -7.628 -2.157 0.334 1.00 35.52 H new ATOM 54 N PHE A 4 -5.471 -6.649 -2.276 1.00 21.02 N ATOM 55 CA PHE A 4 -4.245 -7.343 -2.665 1.00 35.43 C ATOM 56 C PHE A 4 -3.142 -6.307 -2.839 1.00 3.33 C ATOM 57 O PHE A 4 -3.417 -5.152 -3.173 1.00 2.51 O ATOM 58 CB PHE A 4 -4.414 -8.076 -4.003 1.00 53.43 C ATOM 59 CG PHE A 4 -5.135 -9.402 -3.965 1.00 4.34 C ATOM 60 CD1 PHE A 4 -4.423 -10.583 -3.686 1.00 41.43 C ATOM 61 CD2 PHE A 4 -6.494 -9.469 -4.308 1.00 64.25 C ATOM 62 CE1 PHE A 4 -5.083 -11.822 -3.721 1.00 14.55 C ATOM 63 CE2 PHE A 4 -7.150 -10.708 -4.353 1.00 33.24 C ATOM 64 CZ PHE A 4 -6.448 -11.885 -4.041 1.00 65.52 C ATOM 0 H PHE A 4 -5.658 -5.816 -2.835 1.00 21.02 H new ATOM 0 HA PHE A 4 -4.003 -8.071 -1.891 1.00 35.43 H new ATOM 0 HB2 PHE A 4 -4.950 -7.417 -4.686 1.00 53.43 H new ATOM 0 HB3 PHE A 4 -3.424 -8.239 -4.429 1.00 53.43 H new ATOM 0 HD1 PHE A 4 -3.371 -10.537 -3.445 1.00 41.43 H new ATOM 0 HD2 PHE A 4 -7.036 -8.564 -4.538 1.00 64.25 H new ATOM 0 HE1 PHE A 4 -4.539 -12.729 -3.501 1.00 14.55 H new ATOM 0 HE2 PHE A 4 -8.193 -10.758 -4.627 1.00 33.24 H new ATOM 0 HZ PHE A 4 -6.958 -12.837 -4.048 1.00 65.52 H new ATOM 74 N VAL A 5 -1.885 -6.721 -2.688 1.00 52.52 N ATOM 75 CA VAL A 5 -0.721 -5.858 -2.854 1.00 44.23 C ATOM 76 C VAL A 5 0.282 -6.619 -3.725 1.00 1.23 C ATOM 77 O VAL A 5 0.409 -7.837 -3.605 1.00 42.13 O ATOM 78 CB VAL A 5 -0.138 -5.459 -1.479 1.00 63.44 C ATOM 79 CG1 VAL A 5 1.030 -4.470 -1.640 1.00 63.51 C ATOM 80 CG2 VAL A 5 -1.212 -4.822 -0.578 1.00 50.20 C ATOM 0 H VAL A 5 -1.645 -7.682 -2.443 1.00 52.52 H new ATOM 0 HA VAL A 5 -0.985 -4.921 -3.344 1.00 44.23 H new ATOM 0 HB VAL A 5 0.224 -6.374 -1.010 1.00 63.44 H new ATOM 0 HG11 VAL A 5 1.421 -4.206 -0.658 1.00 63.51 H new ATOM 0 HG12 VAL A 5 1.819 -4.932 -2.233 1.00 63.51 H new ATOM 0 HG13 VAL A 5 0.678 -3.570 -2.144 1.00 63.51 H new ATOM 0 HG21 VAL A 5 -0.769 -4.553 0.381 1.00 50.20 H new ATOM 0 HG22 VAL A 5 -1.607 -3.927 -1.059 1.00 50.20 H new ATOM 0 HG23 VAL A 5 -2.021 -5.534 -0.417 1.00 50.20 H new ATOM 90 N LYS A 6 0.933 -5.930 -4.663 1.00 3.21 N ATOM 91 CA LYS A 6 1.941 -6.500 -5.550 1.00 22.43 C ATOM 92 C LYS A 6 3.100 -5.512 -5.577 1.00 73.42 C ATOM 93 O LYS A 6 2.848 -4.337 -5.845 1.00 44.11 O ATOM 94 CB LYS A 6 1.347 -6.835 -6.935 1.00 64.10 C ATOM 95 CG LYS A 6 0.860 -5.655 -7.797 1.00 41.12 C ATOM 96 CD LYS A 6 0.242 -6.109 -9.129 1.00 61.13 C ATOM 97 CE LYS A 6 1.248 -6.874 -10.001 1.00 64.21 C ATOM 98 NZ LYS A 6 0.704 -7.177 -11.339 1.00 10.24 N ATOM 0 H LYS A 6 0.768 -4.937 -4.829 1.00 3.21 H new ATOM 0 HA LYS A 6 2.309 -7.461 -5.191 1.00 22.43 H new ATOM 0 HB2 LYS A 6 2.101 -7.380 -7.503 1.00 64.10 H new ATOM 0 HB3 LYS A 6 0.507 -7.514 -6.787 1.00 64.10 H new ATOM 0 HG2 LYS A 6 0.123 -5.081 -7.236 1.00 41.12 H new ATOM 0 HG3 LYS A 6 1.698 -4.988 -7.999 1.00 41.12 H new ATOM 0 HD2 LYS A 6 -0.621 -6.744 -8.930 1.00 61.13 H new ATOM 0 HD3 LYS A 6 -0.122 -5.238 -9.675 1.00 61.13 H new ATOM 0 HE2 LYS A 6 2.159 -6.284 -10.105 1.00 64.21 H new ATOM 0 HE3 LYS A 6 1.525 -7.803 -9.504 1.00 64.21 H new ATOM 0 HZ1 LYS A 6 1.416 -7.694 -11.894 1.00 10.24 H new ATOM 0 HZ2 LYS A 6 -0.151 -7.761 -11.242 1.00 10.24 H new ATOM 0 HZ3 LYS A 6 0.463 -6.290 -11.825 1.00 10.24 H new ATOM 112 N THR A 7 4.318 -5.909 -5.208 1.00 1.52 N ATOM 113 CA THR A 7 5.451 -4.983 -5.244 1.00 3.14 C ATOM 114 C THR A 7 6.093 -5.033 -6.639 1.00 12.31 C ATOM 115 O THR A 7 5.644 -5.776 -7.517 1.00 54.43 O ATOM 116 CB THR A 7 6.393 -5.177 -4.035 1.00 33.00 C ATOM 117 OG1 THR A 7 7.326 -4.110 -3.980 1.00 2.12 O ATOM 118 CG2 THR A 7 7.137 -6.509 -4.057 1.00 45.42 C ATOM 0 H THR A 7 4.544 -6.850 -4.886 1.00 1.52 H new ATOM 0 HA THR A 7 5.121 -3.953 -5.113 1.00 3.14 H new ATOM 0 HB THR A 7 5.764 -5.183 -3.145 1.00 33.00 H new ATOM 0 HG1 THR A 7 7.921 -4.235 -3.211 1.00 2.12 H new ATOM 0 HG21 THR A 7 7.781 -6.581 -3.180 1.00 45.42 H new ATOM 0 HG22 THR A 7 6.418 -7.328 -4.047 1.00 45.42 H new ATOM 0 HG23 THR A 7 7.745 -6.571 -4.960 1.00 45.42 H new ATOM 126 N LEU A 8 7.122 -4.212 -6.865 1.00 30.45 N ATOM 127 CA LEU A 8 7.835 -4.130 -8.137 1.00 34.21 C ATOM 128 C LEU A 8 8.588 -5.422 -8.436 1.00 63.24 C ATOM 129 O LEU A 8 8.690 -5.814 -9.598 1.00 11.13 O ATOM 130 CB LEU A 8 8.820 -2.945 -8.088 1.00 52.11 C ATOM 131 CG LEU A 8 9.533 -2.683 -9.437 1.00 1.31 C ATOM 132 CD1 LEU A 8 9.657 -1.176 -9.692 1.00 42.11 C ATOM 133 CD2 LEU A 8 10.944 -3.288 -9.470 1.00 30.45 C ATOM 0 H LEU A 8 7.487 -3.576 -6.156 1.00 30.45 H new ATOM 0 HA LEU A 8 7.108 -3.978 -8.934 1.00 34.21 H new ATOM 0 HB2 LEU A 8 8.281 -2.046 -7.790 1.00 52.11 H new ATOM 0 HB3 LEU A 8 9.570 -3.137 -7.320 1.00 52.11 H new ATOM 0 HG LEU A 8 8.925 -3.156 -10.208 1.00 1.31 H new ATOM 0 HD11 LEU A 8 10.160 -1.008 -10.644 1.00 42.11 H new ATOM 0 HD12 LEU A 8 8.663 -0.729 -9.723 1.00 42.11 H new ATOM 0 HD13 LEU A 8 10.236 -0.718 -8.890 1.00 42.11 H new ATOM 0 HD21 LEU A 8 11.407 -3.080 -10.435 1.00 30.45 H new ATOM 0 HD22 LEU A 8 11.547 -2.848 -8.676 1.00 30.45 H new ATOM 0 HD23 LEU A 8 10.881 -4.366 -9.323 1.00 30.45 H new ATOM 145 N THR A 9 9.097 -6.090 -7.404 1.00 20.54 N ATOM 146 CA THR A 9 9.851 -7.325 -7.537 1.00 12.20 C ATOM 147 C THR A 9 8.926 -8.543 -7.478 1.00 2.15 C ATOM 148 O THR A 9 7.761 -8.427 -7.088 1.00 74.35 O ATOM 149 CB THR A 9 10.922 -7.361 -6.433 1.00 4.22 C ATOM 150 OG1 THR A 9 10.357 -7.188 -5.138 1.00 42.03 O ATOM 151 CG2 THR A 9 11.957 -6.247 -6.619 1.00 2.33 C ATOM 0 H THR A 9 8.993 -5.780 -6.438 1.00 20.54 H new ATOM 0 HA THR A 9 10.341 -7.360 -8.510 1.00 12.20 H new ATOM 0 HB THR A 9 11.391 -8.342 -6.513 1.00 4.22 H new ATOM 0 HG1 THR A 9 11.068 -7.219 -4.464 1.00 42.03 H new ATOM 0 HG21 THR A 9 12.698 -6.302 -5.822 1.00 2.33 H new ATOM 0 HG22 THR A 9 12.451 -6.367 -7.583 1.00 2.33 H new ATOM 0 HG23 THR A 9 11.459 -5.278 -6.585 1.00 2.33 H new ATOM 159 N GLY A 10 9.466 -9.724 -7.788 1.00 44.02 N ATOM 160 CA GLY A 10 8.751 -10.992 -7.776 1.00 13.05 C ATOM 161 C GLY A 10 8.652 -11.503 -6.343 1.00 0.24 C ATOM 162 O GLY A 10 9.267 -12.505 -5.973 1.00 25.20 O ATOM 0 H GLY A 10 10.444 -9.822 -8.062 1.00 44.02 H new ATOM 0 HA2 GLY A 10 7.754 -10.864 -8.198 1.00 13.05 H new ATOM 0 HA3 GLY A 10 9.270 -11.721 -8.399 1.00 13.05 H new ATOM 166 N LYS A 11 7.930 -10.765 -5.503 1.00 21.53 N ATOM 167 CA LYS A 11 7.705 -11.055 -4.099 1.00 23.32 C ATOM 168 C LYS A 11 6.220 -10.892 -3.872 1.00 3.21 C ATOM 169 O LYS A 11 5.719 -9.767 -3.868 1.00 14.23 O ATOM 170 CB LYS A 11 8.506 -10.105 -3.188 1.00 30.22 C ATOM 171 CG LYS A 11 10.030 -10.224 -3.314 1.00 73.41 C ATOM 172 CD LYS A 11 10.560 -11.541 -2.739 1.00 72.44 C ATOM 173 CE LYS A 11 12.016 -11.728 -3.166 1.00 15.42 C ATOM 174 NZ LYS A 11 12.518 -13.057 -2.783 1.00 2.23 N ATOM 0 H LYS A 11 7.466 -9.908 -5.803 1.00 21.53 H new ATOM 0 HA LYS A 11 8.041 -12.062 -3.853 1.00 23.32 H new ATOM 0 HB2 LYS A 11 8.216 -9.079 -3.413 1.00 30.22 H new ATOM 0 HB3 LYS A 11 8.225 -10.296 -2.152 1.00 30.22 H new ATOM 0 HG2 LYS A 11 10.312 -10.149 -4.364 1.00 73.41 H new ATOM 0 HG3 LYS A 11 10.501 -9.388 -2.797 1.00 73.41 H new ATOM 0 HD2 LYS A 11 10.486 -11.532 -1.652 1.00 72.44 H new ATOM 0 HD3 LYS A 11 9.955 -12.376 -3.093 1.00 72.44 H new ATOM 0 HE2 LYS A 11 12.100 -11.602 -4.245 1.00 15.42 H new ATOM 0 HE3 LYS A 11 12.634 -10.957 -2.706 1.00 15.42 H new ATOM 0 HZ1 LYS A 11 13.508 -13.155 -3.086 1.00 2.23 H new ATOM 0 HZ2 LYS A 11 12.459 -13.166 -1.750 1.00 2.23 H new ATOM 0 HZ3 LYS A 11 11.942 -13.791 -3.242 1.00 2.23 H new ATOM 188 N THR A 12 5.505 -12.003 -3.768 1.00 62.35 N ATOM 189 CA THR A 12 4.081 -11.932 -3.523 1.00 71.24 C ATOM 190 C THR A 12 3.983 -11.582 -2.038 1.00 42.51 C ATOM 191 O THR A 12 4.656 -12.196 -1.200 1.00 72.21 O ATOM 192 CB THR A 12 3.402 -13.251 -3.911 1.00 72.44 C ATOM 193 OG1 THR A 12 4.074 -14.341 -3.322 1.00 15.45 O ATOM 194 CG2 THR A 12 3.447 -13.463 -5.428 1.00 11.03 C ATOM 0 H THR A 12 5.884 -12.947 -3.848 1.00 62.35 H new ATOM 0 HA THR A 12 3.559 -11.188 -4.124 1.00 71.24 H new ATOM 0 HB THR A 12 2.370 -13.195 -3.564 1.00 72.44 H new ATOM 0 HG1 THR A 12 3.629 -15.176 -3.577 1.00 15.45 H new ATOM 0 HG21 THR A 12 2.959 -14.405 -5.678 1.00 11.03 H new ATOM 0 HG22 THR A 12 2.929 -12.643 -5.926 1.00 11.03 H new ATOM 0 HG23 THR A 12 4.485 -13.492 -5.761 1.00 11.03 H new ATOM 202 N ILE A 13 3.258 -10.517 -1.717 1.00 33.14 N ATOM 203 CA ILE A 13 3.070 -10.030 -0.364 1.00 43.41 C ATOM 204 C ILE A 13 1.583 -9.748 -0.195 1.00 35.10 C ATOM 205 O ILE A 13 1.045 -8.825 -0.807 1.00 12.40 O ATOM 206 CB ILE A 13 4.034 -8.851 -0.084 1.00 20.21 C ATOM 207 CG1 ILE A 13 3.853 -8.428 1.385 1.00 3.44 C ATOM 208 CG2 ILE A 13 3.901 -7.670 -1.072 1.00 64.02 C ATOM 209 CD1 ILE A 13 4.853 -7.379 1.877 1.00 14.33 C ATOM 0 H ILE A 13 2.772 -9.954 -2.415 1.00 33.14 H new ATOM 0 HA ILE A 13 3.338 -10.759 0.401 1.00 43.41 H new ATOM 0 HB ILE A 13 5.055 -9.194 -0.250 1.00 20.21 H new ATOM 0 HG12 ILE A 13 2.844 -8.037 1.514 1.00 3.44 H new ATOM 0 HG13 ILE A 13 3.935 -9.313 2.016 1.00 3.44 H new ATOM 0 HG21 ILE A 13 4.612 -6.889 -0.803 1.00 64.02 H new ATOM 0 HG22 ILE A 13 4.109 -8.017 -2.084 1.00 64.02 H new ATOM 0 HG23 ILE A 13 2.888 -7.270 -1.027 1.00 64.02 H new ATOM 0 HD11 ILE A 13 4.649 -7.143 2.921 1.00 14.33 H new ATOM 0 HD12 ILE A 13 5.866 -7.771 1.785 1.00 14.33 H new ATOM 0 HD13 ILE A 13 4.758 -6.475 1.275 1.00 14.33 H new ATOM 221 N THR A 14 0.900 -10.562 0.603 1.00 74.44 N ATOM 222 CA THR A 14 -0.527 -10.403 0.825 1.00 62.41 C ATOM 223 C THR A 14 -0.755 -9.592 2.100 1.00 51.33 C ATOM 224 O THR A 14 0.008 -9.696 3.073 1.00 41.31 O ATOM 225 CB THR A 14 -1.190 -11.791 0.808 1.00 12.52 C ATOM 226 OG1 THR A 14 -0.605 -12.675 1.747 1.00 61.35 O ATOM 227 CG2 THR A 14 -1.037 -12.425 -0.584 1.00 73.55 C ATOM 0 H THR A 14 1.318 -11.343 1.109 1.00 74.44 H new ATOM 0 HA THR A 14 -1.004 -9.832 0.029 1.00 62.41 H new ATOM 0 HB THR A 14 -2.239 -11.642 1.065 1.00 12.52 H new ATOM 0 HG1 THR A 14 -1.057 -13.544 1.704 1.00 61.35 H new ATOM 0 HG21 THR A 14 -1.508 -13.408 -0.590 1.00 73.55 H new ATOM 0 HG22 THR A 14 -1.515 -11.788 -1.328 1.00 73.55 H new ATOM 0 HG23 THR A 14 0.022 -12.529 -0.822 1.00 73.55 H new ATOM 235 N LEU A 15 -1.764 -8.721 2.076 1.00 25.31 N ATOM 236 CA LEU A 15 -2.153 -7.869 3.193 1.00 42.42 C ATOM 237 C LEU A 15 -3.671 -7.824 3.221 1.00 11.23 C ATOM 238 O LEU A 15 -4.296 -7.837 2.157 1.00 75.40 O ATOM 239 CB LEU A 15 -1.535 -6.470 3.016 1.00 35.02 C ATOM 240 CG LEU A 15 -2.067 -5.410 4.011 1.00 2.03 C ATOM 241 CD1 LEU A 15 -0.953 -4.444 4.410 1.00 23.20 C ATOM 242 CD2 LEU A 15 -3.208 -4.581 3.397 1.00 34.53 C ATOM 0 H LEU A 15 -2.350 -8.587 1.252 1.00 25.31 H new ATOM 0 HA LEU A 15 -1.788 -8.259 4.143 1.00 42.42 H new ATOM 0 HB2 LEU A 15 -0.453 -6.546 3.128 1.00 35.02 H new ATOM 0 HB3 LEU A 15 -1.727 -6.126 2.000 1.00 35.02 H new ATOM 0 HG LEU A 15 -2.436 -5.953 4.881 1.00 2.03 H new ATOM 0 HD11 LEU A 15 -1.345 -3.706 5.110 1.00 23.20 H new ATOM 0 HD12 LEU A 15 -0.143 -4.999 4.883 1.00 23.20 H new ATOM 0 HD13 LEU A 15 -0.575 -3.937 3.522 1.00 23.20 H new ATOM 0 HD21 LEU A 15 -3.557 -3.847 4.124 1.00 34.53 H new ATOM 0 HD22 LEU A 15 -2.846 -4.066 2.507 1.00 34.53 H new ATOM 0 HD23 LEU A 15 -4.031 -5.241 3.124 1.00 34.53 H new ATOM 254 N GLU A 16 -4.256 -7.789 4.416 1.00 33.12 N ATOM 255 CA GLU A 16 -5.691 -7.720 4.619 1.00 34.42 C ATOM 256 C GLU A 16 -5.987 -6.650 5.671 1.00 12.43 C ATOM 257 O GLU A 16 -5.289 -6.591 6.686 1.00 61.23 O ATOM 258 CB GLU A 16 -6.254 -9.107 4.971 1.00 14.41 C ATOM 259 CG GLU A 16 -5.656 -9.752 6.235 1.00 23.44 C ATOM 260 CD GLU A 16 -5.093 -11.165 6.044 1.00 44.13 C ATOM 261 OE1 GLU A 16 -5.325 -11.852 5.016 1.00 30.53 O ATOM 262 OE2 GLU A 16 -4.355 -11.600 6.948 1.00 0.10 O ATOM 0 H GLU A 16 -3.727 -7.809 5.288 1.00 33.12 H new ATOM 0 HA GLU A 16 -6.199 -7.425 3.701 1.00 34.42 H new ATOM 0 HB2 GLU A 16 -7.333 -9.022 5.101 1.00 14.41 H new ATOM 0 HB3 GLU A 16 -6.086 -9.775 4.126 1.00 14.41 H new ATOM 0 HG2 GLU A 16 -4.860 -9.109 6.610 1.00 23.44 H new ATOM 0 HG3 GLU A 16 -6.427 -9.786 7.005 1.00 23.44 H new ATOM 269 N VAL A 17 -6.980 -5.790 5.427 1.00 64.42 N ATOM 270 CA VAL A 17 -7.391 -4.697 6.313 1.00 2.14 C ATOM 271 C VAL A 17 -8.915 -4.499 6.265 1.00 4.45 C ATOM 272 O VAL A 17 -9.598 -5.056 5.400 1.00 71.32 O ATOM 273 CB VAL A 17 -6.618 -3.398 5.968 1.00 2.02 C ATOM 274 CG1 VAL A 17 -5.166 -3.454 6.471 1.00 61.23 C ATOM 275 CG2 VAL A 17 -6.634 -3.078 4.465 1.00 1.21 C ATOM 0 H VAL A 17 -7.540 -5.838 4.576 1.00 64.42 H new ATOM 0 HA VAL A 17 -7.137 -4.961 7.340 1.00 2.14 H new ATOM 0 HB VAL A 17 -7.143 -2.595 6.485 1.00 2.02 H new ATOM 0 HG11 VAL A 17 -4.655 -2.527 6.211 1.00 61.23 H new ATOM 0 HG12 VAL A 17 -5.161 -3.580 7.554 1.00 61.23 H new ATOM 0 HG13 VAL A 17 -4.652 -4.295 6.005 1.00 61.23 H new ATOM 0 HG21 VAL A 17 -6.078 -2.158 4.283 1.00 1.21 H new ATOM 0 HG22 VAL A 17 -6.172 -3.897 3.914 1.00 1.21 H new ATOM 0 HG23 VAL A 17 -7.664 -2.951 4.131 1.00 1.21 H new ATOM 285 N GLU A 18 -9.451 -3.725 7.211 1.00 22.41 N ATOM 286 CA GLU A 18 -10.870 -3.403 7.345 1.00 71.43 C ATOM 287 C GLU A 18 -11.360 -2.467 6.233 1.00 43.22 C ATOM 288 O GLU A 18 -10.546 -1.834 5.558 1.00 34.35 O ATOM 289 CB GLU A 18 -11.105 -2.753 8.717 1.00 40.34 C ATOM 290 CG GLU A 18 -11.486 -3.829 9.730 1.00 2.41 C ATOM 291 CD GLU A 18 -11.913 -3.214 11.050 1.00 74.22 C ATOM 292 OE1 GLU A 18 -13.088 -2.781 11.165 1.00 65.22 O ATOM 293 OE2 GLU A 18 -11.104 -3.224 12.002 1.00 54.34 O ATOM 0 H GLU A 18 -8.882 -3.287 7.935 1.00 22.41 H new ATOM 0 HA GLU A 18 -11.438 -4.329 7.258 1.00 71.43 H new ATOM 0 HB2 GLU A 18 -10.205 -2.233 9.044 1.00 40.34 H new ATOM 0 HB3 GLU A 18 -11.897 -2.007 8.647 1.00 40.34 H new ATOM 0 HG2 GLU A 18 -12.297 -4.438 9.330 1.00 2.41 H new ATOM 0 HG3 GLU A 18 -10.639 -4.495 9.893 1.00 2.41 H new ATOM 300 N PRO A 19 -12.683 -2.324 6.029 1.00 44.54 N ATOM 301 CA PRO A 19 -13.215 -1.454 4.986 1.00 41.14 C ATOM 302 C PRO A 19 -13.062 0.042 5.299 1.00 52.30 C ATOM 303 O PRO A 19 -13.211 0.860 4.386 1.00 60.21 O ATOM 304 CB PRO A 19 -14.695 -1.836 4.876 1.00 3.24 C ATOM 305 CG PRO A 19 -15.046 -2.272 6.294 1.00 23.20 C ATOM 306 CD PRO A 19 -13.773 -2.991 6.735 1.00 25.51 C ATOM 0 HA PRO A 19 -12.664 -1.595 4.056 1.00 41.14 H new ATOM 0 HB2 PRO A 19 -15.306 -0.994 4.550 1.00 3.24 H new ATOM 0 HB3 PRO A 19 -14.851 -2.640 4.157 1.00 3.24 H new ATOM 0 HG2 PRO A 19 -15.277 -1.422 6.936 1.00 23.20 H new ATOM 0 HG3 PRO A 19 -15.914 -2.931 6.314 1.00 23.20 H new ATOM 0 HD2 PRO A 19 -13.639 -2.925 7.815 1.00 25.51 H new ATOM 0 HD3 PRO A 19 -13.813 -4.051 6.483 1.00 25.51 H new ATOM 314 N SER A 20 -12.752 0.415 6.541 1.00 22.35 N ATOM 315 CA SER A 20 -12.607 1.803 6.978 1.00 62.24 C ATOM 316 C SER A 20 -11.195 2.173 7.438 1.00 51.23 C ATOM 317 O SER A 20 -11.021 3.264 7.982 1.00 10.22 O ATOM 318 CB SER A 20 -13.629 2.057 8.089 1.00 51.41 C ATOM 319 OG SER A 20 -14.939 1.672 7.698 1.00 50.53 O ATOM 0 H SER A 20 -12.591 -0.258 7.290 1.00 22.35 H new ATOM 0 HA SER A 20 -12.792 2.444 6.116 1.00 62.24 H new ATOM 0 HB2 SER A 20 -13.339 1.505 8.983 1.00 51.41 H new ATOM 0 HB3 SER A 20 -13.624 3.115 8.353 1.00 51.41 H new ATOM 0 HG SER A 20 -15.564 1.847 8.432 1.00 50.53 H new ATOM 325 N ASP A 21 -10.216 1.284 7.259 1.00 22.41 N ATOM 326 CA ASP A 21 -8.831 1.534 7.657 1.00 30.11 C ATOM 327 C ASP A 21 -8.195 2.632 6.777 1.00 33.54 C ATOM 328 O ASP A 21 -8.763 3.014 5.743 1.00 42.03 O ATOM 329 CB ASP A 21 -8.080 0.198 7.642 1.00 22.04 C ATOM 330 CG ASP A 21 -6.725 0.223 8.343 1.00 24.15 C ATOM 331 OD1 ASP A 21 -6.392 1.191 9.055 1.00 3.23 O ATOM 332 OD2 ASP A 21 -5.982 -0.770 8.173 1.00 31.12 O ATOM 0 H ASP A 21 -10.363 0.369 6.833 1.00 22.41 H new ATOM 0 HA ASP A 21 -8.777 1.929 8.672 1.00 30.11 H new ATOM 0 HB2 ASP A 21 -8.705 -0.560 8.114 1.00 22.04 H new ATOM 0 HB3 ASP A 21 -7.933 -0.110 6.607 1.00 22.04 H new ATOM 337 N THR A 22 -7.018 3.141 7.149 1.00 61.12 N ATOM 338 CA THR A 22 -6.332 4.211 6.427 1.00 10.04 C ATOM 339 C THR A 22 -5.117 3.713 5.637 1.00 24.42 C ATOM 340 O THR A 22 -4.536 2.666 5.936 1.00 40.34 O ATOM 341 CB THR A 22 -6.012 5.363 7.400 1.00 72.44 C ATOM 342 OG1 THR A 22 -4.951 5.030 8.270 1.00 21.41 O ATOM 343 CG2 THR A 22 -7.229 5.779 8.240 1.00 2.13 C ATOM 0 H THR A 22 -6.509 2.816 7.971 1.00 61.12 H new ATOM 0 HA THR A 22 -7.001 4.601 5.660 1.00 10.04 H new ATOM 0 HB THR A 22 -5.719 6.204 6.772 1.00 72.44 H new ATOM 0 HG1 THR A 22 -4.773 5.783 8.872 1.00 21.41 H new ATOM 0 HG21 THR A 22 -6.949 6.593 8.908 1.00 2.13 H new ATOM 0 HG22 THR A 22 -8.031 6.111 7.580 1.00 2.13 H new ATOM 0 HG23 THR A 22 -7.572 4.929 8.829 1.00 2.13 H new ATOM 351 N ILE A 23 -4.722 4.471 4.610 1.00 43.52 N ATOM 352 CA ILE A 23 -3.592 4.152 3.735 1.00 55.03 C ATOM 353 C ILE A 23 -2.260 4.058 4.487 1.00 24.54 C ATOM 354 O ILE A 23 -1.475 3.147 4.214 1.00 3.11 O ATOM 355 CB ILE A 23 -3.526 5.162 2.565 1.00 15.43 C ATOM 356 CG1 ILE A 23 -2.460 4.804 1.508 1.00 52.43 C ATOM 357 CG2 ILE A 23 -3.307 6.603 3.040 1.00 64.20 C ATOM 358 CD1 ILE A 23 -2.768 3.472 0.814 1.00 14.45 C ATOM 0 H ILE A 23 -5.190 5.342 4.359 1.00 43.52 H new ATOM 0 HA ILE A 23 -3.764 3.156 3.327 1.00 55.03 H new ATOM 0 HB ILE A 23 -4.506 5.094 2.093 1.00 15.43 H new ATOM 0 HG12 ILE A 23 -2.407 5.598 0.763 1.00 52.43 H new ATOM 0 HG13 ILE A 23 -1.481 4.747 1.984 1.00 52.43 H new ATOM 0 HG21 ILE A 23 -3.269 7.269 2.178 1.00 64.20 H new ATOM 0 HG22 ILE A 23 -4.129 6.900 3.692 1.00 64.20 H new ATOM 0 HG23 ILE A 23 -2.367 6.666 3.589 1.00 64.20 H new ATOM 0 HD11 ILE A 23 -1.993 3.258 0.078 1.00 14.45 H new ATOM 0 HD12 ILE A 23 -2.795 2.673 1.555 1.00 14.45 H new ATOM 0 HD13 ILE A 23 -3.735 3.537 0.315 1.00 14.45 H new ATOM 370 N GLU A 24 -2.004 4.946 5.453 1.00 30.41 N ATOM 371 CA GLU A 24 -0.751 4.926 6.201 1.00 51.42 C ATOM 372 C GLU A 24 -0.606 3.609 6.961 1.00 13.33 C ATOM 373 O GLU A 24 0.513 3.173 7.195 1.00 62.45 O ATOM 374 CB GLU A 24 -0.616 6.167 7.087 1.00 62.32 C ATOM 375 CG GLU A 24 0.800 6.351 7.658 1.00 50.33 C ATOM 376 CD GLU A 24 0.890 7.622 8.503 1.00 3.04 C ATOM 377 OE1 GLU A 24 0.126 7.726 9.493 1.00 51.11 O ATOM 378 OE2 GLU A 24 1.702 8.526 8.200 1.00 30.45 O ATOM 0 H GLU A 24 -2.649 5.685 5.732 1.00 30.41 H new ATOM 0 HA GLU A 24 0.085 4.973 5.503 1.00 51.42 H new ATOM 0 HB2 GLU A 24 -0.885 7.050 6.508 1.00 62.32 H new ATOM 0 HB3 GLU A 24 -1.327 6.097 7.910 1.00 62.32 H new ATOM 0 HG2 GLU A 24 1.066 5.486 8.266 1.00 50.33 H new ATOM 0 HG3 GLU A 24 1.521 6.401 6.842 1.00 50.33 H new ATOM 385 N ASN A 25 -1.709 2.963 7.360 1.00 15.24 N ATOM 386 CA ASN A 25 -1.661 1.682 8.067 1.00 4.22 C ATOM 387 C ASN A 25 -0.971 0.657 7.155 1.00 20.32 C ATOM 388 O ASN A 25 -0.078 -0.079 7.579 1.00 3.20 O ATOM 389 CB ASN A 25 -3.087 1.238 8.421 1.00 15.23 C ATOM 390 CG ASN A 25 -3.131 0.197 9.531 1.00 5.22 C ATOM 391 OD1 ASN A 25 -2.268 -0.672 9.649 1.00 24.22 O ATOM 392 ND2 ASN A 25 -4.123 0.282 10.394 1.00 11.03 N ATOM 0 H ASN A 25 -2.654 3.313 7.202 1.00 15.24 H new ATOM 0 HA ASN A 25 -1.098 1.772 8.996 1.00 4.22 H new ATOM 0 HB2 ASN A 25 -3.667 2.109 8.725 1.00 15.23 H new ATOM 0 HB3 ASN A 25 -3.566 0.831 7.530 1.00 15.23 H new ATOM 0 HD21 ASN A 25 -4.181 -0.377 11.170 1.00 11.03 H new ATOM 0 HD22 ASN A 25 -4.832 1.007 10.286 1.00 11.03 H new ATOM 399 N VAL A 26 -1.345 0.652 5.870 1.00 4.45 N ATOM 400 CA VAL A 26 -0.800 -0.221 4.838 1.00 2.33 C ATOM 401 C VAL A 26 0.708 0.044 4.713 1.00 21.45 C ATOM 402 O VAL A 26 1.502 -0.899 4.634 1.00 33.22 O ATOM 403 CB VAL A 26 -1.525 0.028 3.490 1.00 73.43 C ATOM 404 CG1 VAL A 26 -1.278 -1.104 2.493 1.00 12.42 C ATOM 405 CG2 VAL A 26 -3.049 0.161 3.604 1.00 21.23 C ATOM 0 H VAL A 26 -2.063 1.282 5.513 1.00 4.45 H new ATOM 0 HA VAL A 26 -0.957 -1.265 5.110 1.00 2.33 H new ATOM 0 HB VAL A 26 -1.102 0.974 3.152 1.00 73.43 H new ATOM 0 HG11 VAL A 26 -1.804 -0.890 1.562 1.00 12.42 H new ATOM 0 HG12 VAL A 26 -0.209 -1.188 2.295 1.00 12.42 H new ATOM 0 HG13 VAL A 26 -1.645 -2.042 2.909 1.00 12.42 H new ATOM 0 HG21 VAL A 26 -3.474 0.333 2.615 1.00 21.23 H new ATOM 0 HG22 VAL A 26 -3.464 -0.756 4.023 1.00 21.23 H new ATOM 0 HG23 VAL A 26 -3.293 1.000 4.255 1.00 21.23 H new ATOM 415 N LYS A 27 1.107 1.323 4.663 1.00 4.11 N ATOM 416 CA LYS A 27 2.510 1.718 4.549 1.00 3.54 C ATOM 417 C LYS A 27 3.303 1.350 5.800 1.00 74.22 C ATOM 418 O LYS A 27 4.403 0.819 5.665 1.00 21.32 O ATOM 419 CB LYS A 27 2.653 3.203 4.208 1.00 21.52 C ATOM 420 CG LYS A 27 2.001 3.514 2.853 1.00 11.42 C ATOM 421 CD LYS A 27 2.510 4.818 2.238 1.00 12.24 C ATOM 422 CE LYS A 27 3.868 4.640 1.553 1.00 13.43 C ATOM 423 NZ LYS A 27 4.210 5.825 0.739 1.00 31.31 N ATOM 0 H LYS A 27 0.461 2.111 4.701 1.00 4.11 H new ATOM 0 HA LYS A 27 2.936 1.154 3.719 1.00 3.54 H new ATOM 0 HB2 LYS A 27 2.189 3.807 4.988 1.00 21.52 H new ATOM 0 HB3 LYS A 27 3.708 3.475 4.180 1.00 21.52 H new ATOM 0 HG2 LYS A 27 2.195 2.692 2.164 1.00 11.42 H new ATOM 0 HG3 LYS A 27 0.920 3.575 2.980 1.00 11.42 H new ATOM 0 HD2 LYS A 27 1.784 5.184 1.512 1.00 12.24 H new ATOM 0 HD3 LYS A 27 2.593 5.577 3.016 1.00 12.24 H new ATOM 0 HE2 LYS A 27 4.640 4.476 2.305 1.00 13.43 H new ATOM 0 HE3 LYS A 27 3.846 3.753 0.920 1.00 13.43 H new ATOM 0 HZ1 LYS A 27 4.328 5.541 -0.255 1.00 31.31 H new ATOM 0 HZ2 LYS A 27 3.446 6.527 0.810 1.00 31.31 H new ATOM 0 HZ3 LYS A 27 5.097 6.241 1.088 1.00 31.31 H new ATOM 437 N ALA A 28 2.744 1.545 6.995 1.00 34.15 N ATOM 438 CA ALA A 28 3.382 1.219 8.264 1.00 61.42 C ATOM 439 C ALA A 28 3.694 -0.277 8.282 1.00 11.42 C ATOM 440 O ALA A 28 4.763 -0.700 8.720 1.00 41.33 O ATOM 441 CB ALA A 28 2.475 1.615 9.434 1.00 3.25 C ATOM 0 H ALA A 28 1.812 1.944 7.106 1.00 34.15 H new ATOM 0 HA ALA A 28 4.311 1.778 8.372 1.00 61.42 H new ATOM 0 HB1 ALA A 28 2.965 1.365 10.375 1.00 3.25 H new ATOM 0 HB2 ALA A 28 2.283 2.687 9.398 1.00 3.25 H new ATOM 0 HB3 ALA A 28 1.531 1.074 9.362 1.00 3.25 H new ATOM 447 N LYS A 29 2.783 -1.089 7.733 1.00 22.31 N ATOM 448 CA LYS A 29 2.941 -2.532 7.647 1.00 52.52 C ATOM 449 C LYS A 29 4.242 -2.857 6.899 1.00 73.13 C ATOM 450 O LYS A 29 4.968 -3.770 7.305 1.00 64.24 O ATOM 451 CB LYS A 29 1.698 -3.125 6.953 1.00 13.24 C ATOM 452 CG LYS A 29 1.362 -4.522 7.469 1.00 3.10 C ATOM 453 CD LYS A 29 0.656 -4.490 8.828 1.00 33.22 C ATOM 454 CE LYS A 29 0.347 -5.904 9.324 1.00 15.13 C ATOM 455 NZ LYS A 29 1.578 -6.697 9.490 1.00 54.11 N ATOM 0 H LYS A 29 1.907 -0.751 7.333 1.00 22.31 H new ATOM 0 HA LYS A 29 3.017 -2.979 8.638 1.00 52.52 H new ATOM 0 HB2 LYS A 29 0.845 -2.465 7.113 1.00 13.24 H new ATOM 0 HB3 LYS A 29 1.870 -3.168 5.878 1.00 13.24 H new ATOM 0 HG2 LYS A 29 0.726 -5.030 6.744 1.00 3.10 H new ATOM 0 HG3 LYS A 29 2.279 -5.105 7.553 1.00 3.10 H new ATOM 0 HD2 LYS A 29 1.284 -3.976 9.555 1.00 33.22 H new ATOM 0 HD3 LYS A 29 -0.269 -3.920 8.747 1.00 33.22 H new ATOM 0 HE2 LYS A 29 -0.184 -5.850 10.275 1.00 15.13 H new ATOM 0 HE3 LYS A 29 -0.316 -6.402 8.617 1.00 15.13 H new ATOM 0 HZ1 LYS A 29 1.375 -7.535 10.071 1.00 54.11 H new ATOM 0 HZ2 LYS A 29 1.925 -6.998 8.557 1.00 54.11 H new ATOM 0 HZ3 LYS A 29 2.303 -6.118 9.959 1.00 54.11 H new ATOM 469 N ILE A 30 4.510 -2.164 5.784 1.00 63.33 N ATOM 470 CA ILE A 30 5.715 -2.328 4.972 1.00 63.12 C ATOM 471 C ILE A 30 6.921 -1.752 5.708 1.00 0.42 C ATOM 472 O ILE A 30 7.971 -2.383 5.730 1.00 34.42 O ATOM 473 CB ILE A 30 5.554 -1.640 3.592 1.00 52.42 C ATOM 474 CG1 ILE A 30 4.491 -2.325 2.720 1.00 13.13 C ATOM 475 CG2 ILE A 30 6.871 -1.504 2.798 1.00 51.20 C ATOM 476 CD1 ILE A 30 4.841 -3.745 2.256 1.00 54.52 C ATOM 0 H ILE A 30 3.875 -1.456 5.415 1.00 63.33 H new ATOM 0 HA ILE A 30 5.872 -3.393 4.804 1.00 63.12 H new ATOM 0 HB ILE A 30 5.220 -0.631 3.834 1.00 52.42 H new ATOM 0 HG12 ILE A 30 3.556 -2.363 3.278 1.00 13.13 H new ATOM 0 HG13 ILE A 30 4.312 -1.707 1.840 1.00 13.13 H new ATOM 0 HG21 ILE A 30 6.672 -1.013 1.845 1.00 51.20 H new ATOM 0 HG22 ILE A 30 7.582 -0.909 3.372 1.00 51.20 H new ATOM 0 HG23 ILE A 30 7.290 -2.494 2.616 1.00 51.20 H new ATOM 0 HD11 ILE A 30 4.027 -4.140 1.648 1.00 54.52 H new ATOM 0 HD12 ILE A 30 5.757 -3.719 1.665 1.00 54.52 H new ATOM 0 HD13 ILE A 30 4.988 -4.386 3.125 1.00 54.52 H new ATOM 488 N GLN A 31 6.782 -0.585 6.334 1.00 22.30 N ATOM 489 CA GLN A 31 7.840 0.119 7.048 1.00 74.01 C ATOM 490 C GLN A 31 8.426 -0.755 8.153 1.00 13.34 C ATOM 491 O GLN A 31 9.645 -0.853 8.285 1.00 42.21 O ATOM 492 CB GLN A 31 7.206 1.400 7.606 1.00 5.02 C ATOM 493 CG GLN A 31 8.163 2.431 8.215 1.00 21.31 C ATOM 494 CD GLN A 31 7.366 3.629 8.737 1.00 0.10 C ATOM 495 OE1 GLN A 31 6.299 3.952 8.224 1.00 60.35 O ATOM 496 NE2 GLN A 31 7.849 4.327 9.749 1.00 14.34 N ATOM 0 H GLN A 31 5.893 -0.086 6.357 1.00 22.30 H new ATOM 0 HA GLN A 31 8.673 0.363 6.388 1.00 74.01 H new ATOM 0 HB2 GLN A 31 6.651 1.884 6.802 1.00 5.02 H new ATOM 0 HB3 GLN A 31 6.480 1.117 8.368 1.00 5.02 H new ATOM 0 HG2 GLN A 31 8.732 1.978 9.027 1.00 21.31 H new ATOM 0 HG3 GLN A 31 8.884 2.760 7.466 1.00 21.31 H new ATOM 0 HE21 GLN A 31 8.736 4.059 10.176 1.00 14.34 H new ATOM 0 HE22 GLN A 31 7.335 5.134 10.103 1.00 14.34 H new ATOM 505 N ASP A 32 7.576 -1.449 8.905 1.00 61.43 N ATOM 506 CA ASP A 32 8.028 -2.316 9.982 1.00 25.11 C ATOM 507 C ASP A 32 8.795 -3.535 9.449 1.00 62.40 C ATOM 508 O ASP A 32 9.673 -4.035 10.149 1.00 22.22 O ATOM 509 CB ASP A 32 6.840 -2.760 10.852 1.00 61.24 C ATOM 510 CG ASP A 32 6.235 -1.650 11.720 1.00 2.41 C ATOM 511 OD1 ASP A 32 6.936 -0.671 12.065 1.00 44.23 O ATOM 512 OD2 ASP A 32 5.041 -1.748 12.092 1.00 11.34 O ATOM 0 H ASP A 32 6.563 -1.425 8.784 1.00 61.43 H new ATOM 0 HA ASP A 32 8.718 -1.741 10.599 1.00 25.11 H new ATOM 0 HB2 ASP A 32 6.061 -3.161 10.203 1.00 61.24 H new ATOM 0 HB3 ASP A 32 7.165 -3.574 11.500 1.00 61.24 H new ATOM 517 N LYS A 33 8.479 -4.049 8.250 1.00 43.34 N ATOM 518 CA LYS A 33 9.152 -5.222 7.668 1.00 22.55 C ATOM 519 C LYS A 33 10.355 -4.893 6.777 1.00 10.24 C ATOM 520 O LYS A 33 11.377 -5.569 6.885 1.00 44.54 O ATOM 521 CB LYS A 33 8.140 -6.093 6.899 1.00 4.54 C ATOM 522 CG LYS A 33 7.194 -6.862 7.841 1.00 52.30 C ATOM 523 CD LYS A 33 6.165 -7.677 7.042 1.00 42.25 C ATOM 524 CE LYS A 33 5.140 -8.425 7.912 1.00 72.20 C ATOM 525 NZ LYS A 33 5.593 -9.757 8.364 1.00 34.02 N ATOM 0 H LYS A 33 7.747 -3.662 7.654 1.00 43.34 H new ATOM 0 HA LYS A 33 9.559 -5.774 8.515 1.00 22.55 H new ATOM 0 HB2 LYS A 33 7.552 -5.461 6.234 1.00 4.54 H new ATOM 0 HB3 LYS A 33 8.679 -6.802 6.271 1.00 4.54 H new ATOM 0 HG2 LYS A 33 7.774 -7.528 8.480 1.00 52.30 H new ATOM 0 HG3 LYS A 33 6.678 -6.160 8.496 1.00 52.30 H new ATOM 0 HD2 LYS A 33 5.632 -7.007 6.368 1.00 42.25 H new ATOM 0 HD3 LYS A 33 6.694 -8.400 6.421 1.00 42.25 H new ATOM 0 HE2 LYS A 33 4.907 -7.816 8.786 1.00 72.20 H new ATOM 0 HE3 LYS A 33 4.215 -8.540 7.348 1.00 72.20 H new ATOM 0 HZ1 LYS A 33 4.851 -10.198 8.943 1.00 34.02 H new ATOM 0 HZ2 LYS A 33 5.788 -10.356 7.537 1.00 34.02 H new ATOM 0 HZ3 LYS A 33 6.459 -9.655 8.930 1.00 34.02 H new ATOM 539 N GLU A 34 10.279 -3.873 5.926 1.00 73.32 N ATOM 540 CA GLU A 34 11.334 -3.463 4.994 1.00 75.04 C ATOM 541 C GLU A 34 12.292 -2.444 5.620 1.00 53.40 C ATOM 542 O GLU A 34 13.397 -2.230 5.121 1.00 12.43 O ATOM 543 CB GLU A 34 10.643 -2.869 3.749 1.00 54.33 C ATOM 544 CG GLU A 34 11.545 -2.633 2.521 1.00 13.44 C ATOM 545 CD GLU A 34 12.075 -3.907 1.863 1.00 24.33 C ATOM 546 OE1 GLU A 34 11.347 -4.929 1.859 1.00 33.20 O ATOM 547 OE2 GLU A 34 13.171 -3.863 1.262 1.00 15.51 O ATOM 0 H GLU A 34 9.449 -3.284 5.862 1.00 73.32 H new ATOM 0 HA GLU A 34 11.942 -4.327 4.728 1.00 75.04 H new ATOM 0 HB2 GLU A 34 9.832 -3.536 3.456 1.00 54.33 H new ATOM 0 HB3 GLU A 34 10.189 -1.918 4.029 1.00 54.33 H new ATOM 0 HG2 GLU A 34 10.984 -2.064 1.780 1.00 13.44 H new ATOM 0 HG3 GLU A 34 12.392 -2.017 2.822 1.00 13.44 H new ATOM 554 N GLY A 35 11.885 -1.784 6.704 1.00 54.42 N ATOM 555 CA GLY A 35 12.703 -0.803 7.393 1.00 5.34 C ATOM 556 C GLY A 35 12.831 0.535 6.670 1.00 72.13 C ATOM 557 O GLY A 35 13.626 1.364 7.114 1.00 11.22 O ATOM 0 H GLY A 35 10.967 -1.921 7.128 1.00 54.42 H new ATOM 0 HA2 GLY A 35 12.281 -0.628 8.383 1.00 5.34 H new ATOM 0 HA3 GLY A 35 13.700 -1.219 7.540 1.00 5.34 H new ATOM 561 N ILE A 36 12.091 0.771 5.580 1.00 43.52 N ATOM 562 CA ILE A 36 12.167 2.034 4.844 1.00 13.21 C ATOM 563 C ILE A 36 10.915 2.893 5.095 1.00 63.34 C ATOM 564 O ILE A 36 9.795 2.365 5.087 1.00 60.41 O ATOM 565 CB ILE A 36 12.480 1.822 3.346 1.00 5.31 C ATOM 566 CG1 ILE A 36 11.415 0.976 2.619 1.00 1.43 C ATOM 567 CG2 ILE A 36 13.895 1.229 3.197 1.00 15.21 C ATOM 568 CD1 ILE A 36 11.750 0.677 1.153 1.00 44.14 C ATOM 0 H ILE A 36 11.431 0.099 5.189 1.00 43.52 H new ATOM 0 HA ILE A 36 13.014 2.599 5.232 1.00 13.21 H new ATOM 0 HB ILE A 36 12.450 2.795 2.855 1.00 5.31 H new ATOM 0 HG12 ILE A 36 11.289 0.033 3.152 1.00 1.43 H new ATOM 0 HG13 ILE A 36 10.459 1.498 2.663 1.00 1.43 H new ATOM 0 HG21 ILE A 36 14.117 1.079 2.141 1.00 15.21 H new ATOM 0 HG22 ILE A 36 14.624 1.915 3.627 1.00 15.21 H new ATOM 0 HG23 ILE A 36 13.945 0.273 3.718 1.00 15.21 H new ATOM 0 HD11 ILE A 36 10.953 0.078 0.712 1.00 44.14 H new ATOM 0 HD12 ILE A 36 11.847 1.613 0.604 1.00 44.14 H new ATOM 0 HD13 ILE A 36 12.689 0.126 1.099 1.00 44.14 H new ATOM 580 N PRO A 37 11.086 4.216 5.278 1.00 4.52 N ATOM 581 CA PRO A 37 10.003 5.158 5.522 1.00 14.10 C ATOM 582 C PRO A 37 9.052 5.222 4.321 1.00 50.42 C ATOM 583 O PRO A 37 9.456 4.881 3.200 1.00 22.31 O ATOM 584 CB PRO A 37 10.659 6.506 5.841 1.00 13.34 C ATOM 585 CG PRO A 37 12.011 6.415 5.148 1.00 75.54 C ATOM 586 CD PRO A 37 12.355 4.935 5.294 1.00 2.23 C ATOM 0 HA PRO A 37 9.380 4.848 6.361 1.00 14.10 H new ATOM 0 HB2 PRO A 37 10.068 7.340 5.461 1.00 13.34 H new ATOM 0 HB3 PRO A 37 10.768 6.655 6.915 1.00 13.34 H new ATOM 0 HG2 PRO A 37 11.953 6.717 4.102 1.00 75.54 H new ATOM 0 HG3 PRO A 37 12.755 7.054 5.624 1.00 75.54 H new ATOM 0 HD2 PRO A 37 13.000 4.604 4.480 1.00 2.23 H new ATOM 0 HD3 PRO A 37 12.894 4.751 6.223 1.00 2.23 H new ATOM 594 N PRO A 38 7.779 5.615 4.528 1.00 62.13 N ATOM 595 CA PRO A 38 6.786 5.721 3.466 1.00 32.32 C ATOM 596 C PRO A 38 7.278 6.639 2.350 1.00 23.34 C ATOM 597 O PRO A 38 6.899 6.450 1.199 1.00 72.33 O ATOM 598 CB PRO A 38 5.506 6.241 4.133 1.00 1.30 C ATOM 599 CG PRO A 38 6.005 6.926 5.400 1.00 34.44 C ATOM 600 CD PRO A 38 7.199 6.058 5.781 1.00 22.42 C ATOM 0 HA PRO A 38 6.599 4.760 2.987 1.00 32.32 H new ATOM 0 HB2 PRO A 38 4.973 6.937 3.486 1.00 1.30 H new ATOM 0 HB3 PRO A 38 4.817 5.428 4.363 1.00 1.30 H new ATOM 0 HG2 PRO A 38 6.295 7.961 5.217 1.00 34.44 H new ATOM 0 HG3 PRO A 38 5.246 6.941 6.182 1.00 34.44 H new ATOM 0 HD2 PRO A 38 7.922 6.623 6.369 1.00 22.42 H new ATOM 0 HD3 PRO A 38 6.887 5.209 6.390 1.00 22.42 H new ATOM 608 N ASP A 39 8.204 7.542 2.667 1.00 41.34 N ATOM 609 CA ASP A 39 8.819 8.499 1.764 1.00 34.02 C ATOM 610 C ASP A 39 9.538 7.786 0.620 1.00 54.11 C ATOM 611 O ASP A 39 9.741 8.394 -0.430 1.00 61.52 O ATOM 612 CB ASP A 39 9.877 9.323 2.512 1.00 62.10 C ATOM 613 CG ASP A 39 9.403 10.083 3.743 1.00 41.54 C ATOM 614 OD1 ASP A 39 8.188 10.121 4.037 1.00 12.25 O ATOM 615 OD2 ASP A 39 10.285 10.647 4.435 1.00 35.10 O ATOM 0 H ASP A 39 8.563 7.626 3.618 1.00 41.34 H new ATOM 0 HA ASP A 39 8.024 9.135 1.375 1.00 34.02 H new ATOM 0 HB2 ASP A 39 10.681 8.652 2.814 1.00 62.10 H new ATOM 0 HB3 ASP A 39 10.307 10.040 1.813 1.00 62.10 H new ATOM 620 N GLN A 40 9.971 6.532 0.808 1.00 71.12 N ATOM 621 CA GLN A 40 10.659 5.729 -0.201 1.00 53.34 C ATOM 622 C GLN A 40 9.729 4.696 -0.841 1.00 32.20 C ATOM 623 O GLN A 40 10.182 3.904 -1.666 1.00 15.42 O ATOM 624 CB GLN A 40 11.899 5.042 0.388 1.00 44.33 C ATOM 625 CG GLN A 40 12.967 6.049 0.829 1.00 71.43 C ATOM 626 CD GLN A 40 14.375 5.450 0.822 1.00 45.22 C ATOM 627 OE1 GLN A 40 15.324 6.047 0.315 1.00 44.41 O ATOM 628 NE2 GLN A 40 14.556 4.238 1.311 1.00 60.32 N ATOM 0 H GLN A 40 9.847 6.038 1.692 1.00 71.12 H new ATOM 0 HA GLN A 40 10.983 6.414 -0.985 1.00 53.34 H new ATOM 0 HB2 GLN A 40 11.603 4.432 1.242 1.00 44.33 H new ATOM 0 HB3 GLN A 40 12.324 4.366 -0.354 1.00 44.33 H new ATOM 0 HG2 GLN A 40 12.941 6.915 0.167 1.00 71.43 H new ATOM 0 HG3 GLN A 40 12.733 6.407 1.832 1.00 71.43 H new ATOM 0 HE21 GLN A 40 13.775 3.736 1.733 1.00 60.32 H new ATOM 0 HE22 GLN A 40 15.477 3.803 1.267 1.00 60.32 H new ATOM 637 N GLN A 41 8.454 4.629 -0.467 1.00 22.51 N ATOM 638 CA GLN A 41 7.498 3.685 -1.030 1.00 41.44 C ATOM 639 C GLN A 41 6.400 4.478 -1.731 1.00 74.44 C ATOM 640 O GLN A 41 6.130 5.629 -1.385 1.00 60.01 O ATOM 641 CB GLN A 41 6.990 2.743 0.072 1.00 71.42 C ATOM 642 CG GLN A 41 8.073 1.799 0.646 1.00 52.25 C ATOM 643 CD GLN A 41 8.587 0.785 -0.379 1.00 4.21 C ATOM 644 OE1 GLN A 41 8.168 -0.367 -0.429 1.00 63.43 O ATOM 645 NE2 GLN A 41 9.495 1.186 -1.251 1.00 74.01 N ATOM 0 H GLN A 41 8.052 5.238 0.246 1.00 22.51 H new ATOM 0 HA GLN A 41 7.957 3.040 -1.779 1.00 41.44 H new ATOM 0 HB2 GLN A 41 6.577 3.341 0.884 1.00 71.42 H new ATOM 0 HB3 GLN A 41 6.174 2.141 -0.327 1.00 71.42 H new ATOM 0 HG2 GLN A 41 8.910 2.395 1.011 1.00 52.25 H new ATOM 0 HG3 GLN A 41 7.664 1.265 1.504 1.00 52.25 H new ATOM 0 HE21 GLN A 41 9.848 2.142 -1.216 1.00 74.01 H new ATOM 0 HE22 GLN A 41 9.843 0.539 -1.959 1.00 74.01 H new ATOM 654 N ARG A 42 5.770 3.878 -2.737 1.00 54.02 N ATOM 655 CA ARG A 42 4.694 4.493 -3.505 1.00 64.32 C ATOM 656 C ARG A 42 3.628 3.447 -3.715 1.00 4.42 C ATOM 657 O ARG A 42 3.963 2.267 -3.831 1.00 52.11 O ATOM 658 CB ARG A 42 5.188 4.988 -4.875 1.00 42.45 C ATOM 659 CG ARG A 42 6.194 6.142 -4.827 1.00 63.23 C ATOM 660 CD ARG A 42 5.559 7.431 -4.295 1.00 60.01 C ATOM 661 NE ARG A 42 6.517 8.543 -4.248 1.00 44.22 N ATOM 662 CZ ARG A 42 6.580 9.596 -5.069 1.00 71.41 C ATOM 663 NH1 ARG A 42 5.864 9.647 -6.187 1.00 31.14 N ATOM 664 NH2 ARG A 42 7.380 10.607 -4.774 1.00 54.43 N ATOM 0 H ARG A 42 5.998 2.933 -3.046 1.00 54.02 H new ATOM 0 HA ARG A 42 4.311 5.355 -2.958 1.00 64.32 H new ATOM 0 HB2 ARG A 42 5.645 4.151 -5.403 1.00 42.45 H new ATOM 0 HB3 ARG A 42 4.326 5.303 -5.462 1.00 42.45 H new ATOM 0 HG2 ARG A 42 7.036 5.864 -4.193 1.00 63.23 H new ATOM 0 HG3 ARG A 42 6.592 6.319 -5.826 1.00 63.23 H new ATOM 0 HD2 ARG A 42 4.716 7.707 -4.928 1.00 60.01 H new ATOM 0 HD3 ARG A 42 5.162 7.253 -3.295 1.00 60.01 H new ATOM 0 HE ARG A 42 7.214 8.508 -3.504 1.00 44.22 H new ATOM 0 HH11 ARG A 42 5.249 8.872 -6.435 1.00 31.14 H new ATOM 0 HH12 ARG A 42 5.929 10.461 -6.798 1.00 31.14 H new ATOM 0 HH21 ARG A 42 7.944 10.580 -3.925 1.00 54.43 H new ATOM 0 HH22 ARG A 42 7.433 11.414 -5.396 1.00 54.43 H new ATOM 678 N LEU A 43 2.378 3.883 -3.811 1.00 35.32 N ATOM 679 CA LEU A 43 1.232 3.019 -4.018 1.00 32.42 C ATOM 680 C LEU A 43 0.458 3.589 -5.182 1.00 50.22 C ATOM 681 O LEU A 43 0.026 4.741 -5.148 1.00 35.30 O ATOM 682 CB LEU A 43 0.381 2.903 -2.741 1.00 53.41 C ATOM 683 CG LEU A 43 1.064 2.046 -1.657 1.00 31.32 C ATOM 684 CD1 LEU A 43 0.271 2.087 -0.347 1.00 44.30 C ATOM 685 CD2 LEU A 43 1.176 0.584 -2.108 1.00 14.41 C ATOM 0 H LEU A 43 2.132 4.871 -3.745 1.00 35.32 H new ATOM 0 HA LEU A 43 1.544 2.000 -4.247 1.00 32.42 H new ATOM 0 HB2 LEU A 43 0.188 3.900 -2.344 1.00 53.41 H new ATOM 0 HB3 LEU A 43 -0.586 2.466 -2.990 1.00 53.41 H new ATOM 0 HG LEU A 43 2.059 2.461 -1.498 1.00 31.32 H new ATOM 0 HD11 LEU A 43 0.773 1.475 0.402 1.00 44.30 H new ATOM 0 HD12 LEU A 43 0.208 3.116 0.008 1.00 44.30 H new ATOM 0 HD13 LEU A 43 -0.734 1.700 -0.518 1.00 44.30 H new ATOM 0 HD21 LEU A 43 1.661 -0.002 -1.327 1.00 14.41 H new ATOM 0 HD22 LEU A 43 0.180 0.184 -2.296 1.00 14.41 H new ATOM 0 HD23 LEU A 43 1.767 0.530 -3.022 1.00 14.41 H new ATOM 697 N ILE A 44 0.233 2.756 -6.192 1.00 22.22 N ATOM 698 CA ILE A 44 -0.468 3.120 -7.404 1.00 75.35 C ATOM 699 C ILE A 44 -1.629 2.134 -7.526 1.00 42.32 C ATOM 700 O ILE A 44 -1.433 0.916 -7.509 1.00 65.32 O ATOM 701 CB ILE A 44 0.494 3.080 -8.621 1.00 1.14 C ATOM 702 CG1 ILE A 44 1.842 3.818 -8.415 1.00 15.25 C ATOM 703 CG2 ILE A 44 -0.205 3.593 -9.894 1.00 64.30 C ATOM 704 CD1 ILE A 44 1.757 5.337 -8.210 1.00 63.12 C ATOM 0 H ILE A 44 0.544 1.785 -6.184 1.00 22.22 H new ATOM 0 HA ILE A 44 -0.849 4.141 -7.375 1.00 75.35 H new ATOM 0 HB ILE A 44 0.752 2.027 -8.735 1.00 1.14 H new ATOM 0 HG12 ILE A 44 2.342 3.383 -7.550 1.00 15.25 H new ATOM 0 HG13 ILE A 44 2.475 3.624 -9.281 1.00 15.25 H new ATOM 0 HG21 ILE A 44 0.491 3.555 -10.732 1.00 64.30 H new ATOM 0 HG22 ILE A 44 -1.070 2.967 -10.112 1.00 64.30 H new ATOM 0 HG23 ILE A 44 -0.531 4.622 -9.740 1.00 64.30 H new ATOM 0 HD11 ILE A 44 2.760 5.743 -8.077 1.00 63.12 H new ATOM 0 HD12 ILE A 44 1.293 5.796 -9.083 1.00 63.12 H new ATOM 0 HD13 ILE A 44 1.158 5.552 -7.325 1.00 63.12 H new ATOM 716 N PHE A 45 -2.837 2.666 -7.676 1.00 11.24 N ATOM 717 CA PHE A 45 -4.083 1.919 -7.794 1.00 51.22 C ATOM 718 C PHE A 45 -4.793 2.416 -9.047 1.00 52.13 C ATOM 719 O PHE A 45 -5.029 3.611 -9.191 1.00 41.32 O ATOM 720 CB PHE A 45 -4.934 2.089 -6.519 1.00 73.21 C ATOM 721 CG PHE A 45 -5.613 3.441 -6.308 1.00 71.35 C ATOM 722 CD1 PHE A 45 -4.856 4.604 -6.058 1.00 30.10 C ATOM 723 CD2 PHE A 45 -7.019 3.539 -6.377 1.00 23.43 C ATOM 724 CE1 PHE A 45 -5.492 5.850 -5.913 1.00 54.34 C ATOM 725 CE2 PHE A 45 -7.655 4.782 -6.212 1.00 21.40 C ATOM 726 CZ PHE A 45 -6.893 5.940 -5.988 1.00 61.32 C ATOM 0 H PHE A 45 -2.980 3.675 -7.721 1.00 11.24 H new ATOM 0 HA PHE A 45 -3.899 0.849 -7.890 1.00 51.22 H new ATOM 0 HB2 PHE A 45 -5.707 1.320 -6.523 1.00 73.21 H new ATOM 0 HB3 PHE A 45 -4.295 1.894 -5.658 1.00 73.21 H new ATOM 0 HD1 PHE A 45 -3.781 4.538 -5.977 1.00 30.10 H new ATOM 0 HD2 PHE A 45 -7.610 2.654 -6.558 1.00 23.43 H new ATOM 0 HE1 PHE A 45 -4.903 6.739 -5.744 1.00 54.34 H new ATOM 0 HE2 PHE A 45 -8.732 4.846 -6.258 1.00 21.40 H new ATOM 0 HZ PHE A 45 -7.381 6.896 -5.874 1.00 61.32 H new ATOM 736 N ALA A 46 -5.089 1.519 -9.996 1.00 43.31 N ATOM 737 CA ALA A 46 -5.759 1.844 -11.258 1.00 51.42 C ATOM 738 C ALA A 46 -5.079 3.011 -12.012 1.00 71.11 C ATOM 739 O ALA A 46 -5.745 3.767 -12.721 1.00 2.44 O ATOM 740 CB ALA A 46 -7.255 2.084 -11.006 1.00 25.55 C ATOM 0 H ALA A 46 -4.864 0.528 -9.905 1.00 43.31 H new ATOM 0 HA ALA A 46 -5.663 0.988 -11.926 1.00 51.42 H new ATOM 0 HB1 ALA A 46 -7.748 2.325 -11.947 1.00 25.55 H new ATOM 0 HB2 ALA A 46 -7.702 1.184 -10.582 1.00 25.55 H new ATOM 0 HB3 ALA A 46 -7.378 2.913 -10.309 1.00 25.55 H new ATOM 746 N GLY A 47 -3.761 3.174 -11.876 1.00 43.40 N ATOM 747 CA GLY A 47 -2.984 4.240 -12.511 1.00 20.10 C ATOM 748 C GLY A 47 -2.984 5.556 -11.730 1.00 41.43 C ATOM 749 O GLY A 47 -2.360 6.523 -12.172 1.00 14.33 O ATOM 0 H GLY A 47 -3.190 2.551 -11.305 1.00 43.40 H new ATOM 0 HA2 GLY A 47 -1.955 3.902 -12.635 1.00 20.10 H new ATOM 0 HA3 GLY A 47 -3.382 4.421 -13.509 1.00 20.10 H new ATOM 753 N LYS A 48 -3.682 5.639 -10.595 1.00 44.44 N ATOM 754 CA LYS A 48 -3.741 6.817 -9.737 1.00 30.41 C ATOM 755 C LYS A 48 -2.784 6.559 -8.585 1.00 32.13 C ATOM 756 O LYS A 48 -2.566 5.410 -8.206 1.00 12.44 O ATOM 757 CB LYS A 48 -5.147 7.007 -9.152 1.00 11.43 C ATOM 758 CG LYS A 48 -6.184 7.543 -10.141 1.00 33.54 C ATOM 759 CD LYS A 48 -6.930 6.456 -10.925 1.00 21.32 C ATOM 760 CE LYS A 48 -8.236 7.020 -11.497 1.00 44.44 C ATOM 761 NZ LYS A 48 -9.229 7.309 -10.440 1.00 55.15 N ATOM 0 H LYS A 48 -4.238 4.861 -10.240 1.00 44.44 H new ATOM 0 HA LYS A 48 -3.485 7.707 -10.312 1.00 30.41 H new ATOM 0 HB2 LYS A 48 -5.496 6.050 -8.763 1.00 11.43 H new ATOM 0 HB3 LYS A 48 -5.084 7.691 -8.306 1.00 11.43 H new ATOM 0 HG2 LYS A 48 -6.911 8.145 -9.596 1.00 33.54 H new ATOM 0 HG3 LYS A 48 -5.686 8.207 -10.848 1.00 33.54 H new ATOM 0 HD2 LYS A 48 -6.301 6.084 -11.733 1.00 21.32 H new ATOM 0 HD3 LYS A 48 -7.145 5.610 -10.273 1.00 21.32 H new ATOM 0 HE2 LYS A 48 -8.023 7.933 -12.053 1.00 44.44 H new ATOM 0 HE3 LYS A 48 -8.658 6.307 -12.205 1.00 44.44 H new ATOM 0 HZ1 LYS A 48 -10.184 7.308 -10.851 1.00 55.15 H new ATOM 0 HZ2 LYS A 48 -9.170 6.581 -9.700 1.00 55.15 H new ATOM 0 HZ3 LYS A 48 -9.032 8.242 -10.024 1.00 55.15 H new ATOM 775 N GLN A 49 -2.203 7.608 -8.022 1.00 44.42 N ATOM 776 CA GLN A 49 -1.275 7.519 -6.910 1.00 11.33 C ATOM 777 C GLN A 49 -2.060 7.721 -5.617 1.00 5.44 C ATOM 778 O GLN A 49 -2.777 8.714 -5.483 1.00 51.31 O ATOM 779 CB GLN A 49 -0.106 8.510 -7.089 1.00 33.14 C ATOM 780 CG GLN A 49 -0.426 10.017 -7.181 1.00 51.33 C ATOM 781 CD GLN A 49 -1.130 10.407 -8.476 1.00 3.14 C ATOM 782 OE1 GLN A 49 -2.353 10.377 -8.567 1.00 22.54 O ATOM 783 NE2 GLN A 49 -0.401 10.715 -9.529 1.00 71.54 N ATOM 0 H GLN A 49 -2.369 8.565 -8.334 1.00 44.42 H new ATOM 0 HA GLN A 49 -0.808 6.535 -6.869 1.00 11.33 H new ATOM 0 HB2 GLN A 49 0.580 8.367 -6.254 1.00 33.14 H new ATOM 0 HB3 GLN A 49 0.431 8.229 -7.995 1.00 33.14 H new ATOM 0 HG2 GLN A 49 -1.053 10.300 -6.335 1.00 51.33 H new ATOM 0 HG3 GLN A 49 0.501 10.584 -7.095 1.00 51.33 H new ATOM 0 HE21 GLN A 49 0.616 10.741 -9.455 1.00 71.54 H new ATOM 0 HE22 GLN A 49 -0.854 10.928 -10.418 1.00 71.54 H new ATOM 792 N LEU A 50 -2.013 6.760 -4.692 1.00 23.24 N ATOM 793 CA LEU A 50 -2.723 6.881 -3.414 1.00 1.43 C ATOM 794 C LEU A 50 -1.845 7.696 -2.450 1.00 22.21 C ATOM 795 O LEU A 50 -0.780 7.243 -2.020 1.00 51.42 O ATOM 796 CB LEU A 50 -3.107 5.490 -2.864 1.00 10.12 C ATOM 797 CG LEU A 50 -4.599 5.420 -2.473 1.00 53.10 C ATOM 798 CD1 LEU A 50 -5.046 3.960 -2.341 1.00 24.31 C ATOM 799 CD2 LEU A 50 -4.914 6.198 -1.192 1.00 34.31 C ATOM 0 H LEU A 50 -1.492 5.890 -4.802 1.00 23.24 H new ATOM 0 HA LEU A 50 -3.666 7.411 -3.545 1.00 1.43 H new ATOM 0 HB2 LEU A 50 -2.892 4.730 -3.615 1.00 10.12 H new ATOM 0 HB3 LEU A 50 -2.492 5.261 -1.994 1.00 10.12 H new ATOM 0 HG LEU A 50 -5.161 5.898 -3.275 1.00 53.10 H new ATOM 0 HD11 LEU A 50 -6.100 3.926 -2.065 1.00 24.31 H new ATOM 0 HD12 LEU A 50 -4.903 3.448 -3.293 1.00 24.31 H new ATOM 0 HD13 LEU A 50 -4.453 3.466 -1.571 1.00 24.31 H new ATOM 0 HD21 LEU A 50 -5.977 6.113 -0.967 1.00 34.31 H new ATOM 0 HD22 LEU A 50 -4.334 5.788 -0.365 1.00 34.31 H new ATOM 0 HD23 LEU A 50 -4.656 7.248 -1.331 1.00 34.31 H new ATOM 811 N GLU A 51 -2.256 8.929 -2.154 1.00 10.03 N ATOM 812 CA GLU A 51 -1.538 9.828 -1.252 1.00 11.04 C ATOM 813 C GLU A 51 -1.956 9.511 0.196 1.00 63.33 C ATOM 814 O GLU A 51 -3.059 9.013 0.432 1.00 15.53 O ATOM 815 CB GLU A 51 -1.832 11.290 -1.623 1.00 72.35 C ATOM 816 CG GLU A 51 -1.445 11.677 -3.070 1.00 73.41 C ATOM 817 CD GLU A 51 0.058 11.765 -3.358 1.00 31.11 C ATOM 818 OE1 GLU A 51 0.837 12.264 -2.513 1.00 74.21 O ATOM 819 OE2 GLU A 51 0.507 11.377 -4.461 1.00 24.55 O ATOM 0 H GLU A 51 -3.108 9.336 -2.539 1.00 10.03 H new ATOM 0 HA GLU A 51 -0.462 9.681 -1.344 1.00 11.04 H new ATOM 0 HB2 GLU A 51 -2.896 11.480 -1.482 1.00 72.35 H new ATOM 0 HB3 GLU A 51 -1.298 11.941 -0.931 1.00 72.35 H new ATOM 0 HG2 GLU A 51 -1.884 10.948 -3.751 1.00 73.41 H new ATOM 0 HG3 GLU A 51 -1.897 12.641 -3.301 1.00 73.41 H new ATOM 826 N ASP A 52 -1.066 9.787 1.152 1.00 31.02 N ATOM 827 CA ASP A 52 -1.268 9.537 2.581 1.00 3.42 C ATOM 828 C ASP A 52 -2.405 10.331 3.202 1.00 51.43 C ATOM 829 O ASP A 52 -2.705 11.450 2.781 1.00 24.24 O ATOM 830 CB ASP A 52 -0.007 9.754 3.425 1.00 4.11 C ATOM 831 CG ASP A 52 0.344 11.224 3.614 1.00 52.53 C ATOM 832 OD1 ASP A 52 1.068 11.756 2.739 1.00 31.12 O ATOM 833 OD2 ASP A 52 0.002 11.821 4.658 1.00 50.34 O ATOM 0 H ASP A 52 -0.158 10.203 0.947 1.00 31.02 H new ATOM 0 HA ASP A 52 -1.537 8.481 2.602 1.00 3.42 H new ATOM 0 HB2 ASP A 52 -0.148 9.292 4.402 1.00 4.11 H new ATOM 0 HB3 ASP A 52 0.832 9.245 2.950 1.00 4.11 H new ATOM 838 N GLY A 53 -3.023 9.726 4.217 1.00 54.11 N ATOM 839 CA GLY A 53 -4.124 10.292 4.973 1.00 21.43 C ATOM 840 C GLY A 53 -5.489 9.896 4.431 1.00 22.20 C ATOM 841 O GLY A 53 -6.490 10.165 5.092 1.00 33.34 O ATOM 0 H GLY A 53 -2.756 8.796 4.541 1.00 54.11 H new ATOM 0 HA2 GLY A 53 -4.046 9.971 6.012 1.00 21.43 H new ATOM 0 HA3 GLY A 53 -4.039 11.379 4.968 1.00 21.43 H new ATOM 845 N ARG A 54 -5.575 9.256 3.261 1.00 31.41 N ATOM 846 CA ARG A 54 -6.867 8.870 2.704 1.00 30.50 C ATOM 847 C ARG A 54 -7.316 7.517 3.259 1.00 11.33 C ATOM 848 O ARG A 54 -6.495 6.629 3.520 1.00 2.21 O ATOM 849 CB ARG A 54 -6.788 8.897 1.171 1.00 22.12 C ATOM 850 CG ARG A 54 -6.424 10.286 0.605 1.00 21.01 C ATOM 851 CD ARG A 54 -7.454 11.388 0.924 1.00 44.11 C ATOM 852 NE ARG A 54 -7.125 12.160 2.142 1.00 62.12 N ATOM 853 CZ ARG A 54 -7.988 12.722 3.002 1.00 0.53 C ATOM 854 NH1 ARG A 54 -9.298 12.677 2.797 1.00 22.25 N ATOM 855 NH2 ARG A 54 -7.547 13.362 4.072 1.00 50.11 N ATOM 0 H ARG A 54 -4.771 8.998 2.689 1.00 31.41 H new ATOM 0 HA ARG A 54 -7.632 9.586 3.006 1.00 30.50 H new ATOM 0 HB2 ARG A 54 -6.046 8.171 0.839 1.00 22.12 H new ATOM 0 HB3 ARG A 54 -7.747 8.584 0.759 1.00 22.12 H new ATOM 0 HG2 ARG A 54 -5.454 10.585 1.002 1.00 21.01 H new ATOM 0 HG3 ARG A 54 -6.315 10.208 -0.477 1.00 21.01 H new ATOM 0 HD2 ARG A 54 -7.520 12.070 0.076 1.00 44.11 H new ATOM 0 HD3 ARG A 54 -8.437 10.933 1.045 1.00 44.11 H new ATOM 0 HE ARG A 54 -6.134 12.278 2.351 1.00 62.12 H new ATOM 0 HH11 ARG A 54 -9.669 12.208 1.971 1.00 22.25 H new ATOM 0 HH12 ARG A 54 -9.934 13.112 3.465 1.00 22.25 H new ATOM 0 HH21 ARG A 54 -6.545 13.431 4.248 1.00 50.11 H new ATOM 0 HH22 ARG A 54 -8.209 13.787 4.721 1.00 50.11 H new ATOM 869 N THR A 55 -8.622 7.315 3.375 1.00 22.11 N ATOM 870 CA THR A 55 -9.205 6.090 3.904 1.00 42.41 C ATOM 871 C THR A 55 -9.743 5.237 2.743 1.00 25.34 C ATOM 872 O THR A 55 -10.142 5.760 1.702 1.00 41.52 O ATOM 873 CB THR A 55 -10.329 6.532 4.864 1.00 32.23 C ATOM 874 OG1 THR A 55 -9.921 7.622 5.680 1.00 35.43 O ATOM 875 CG2 THR A 55 -10.851 5.440 5.792 1.00 30.03 C ATOM 0 H THR A 55 -9.317 8.009 3.100 1.00 22.11 H new ATOM 0 HA THR A 55 -8.478 5.476 4.436 1.00 42.41 H new ATOM 0 HB THR A 55 -11.138 6.815 4.191 1.00 32.23 H new ATOM 0 HG1 THR A 55 -10.656 7.878 6.275 1.00 35.43 H new ATOM 0 HG21 THR A 55 -11.637 5.848 6.427 1.00 30.03 H new ATOM 0 HG22 THR A 55 -11.253 4.619 5.198 1.00 30.03 H new ATOM 0 HG23 THR A 55 -10.036 5.072 6.415 1.00 30.03 H new ATOM 883 N LEU A 56 -9.847 3.924 2.950 1.00 12.41 N ATOM 884 CA LEU A 56 -10.335 2.929 2.016 1.00 64.52 C ATOM 885 C LEU A 56 -11.813 3.188 1.755 1.00 12.50 C ATOM 886 O LEU A 56 -12.256 3.189 0.611 1.00 53.44 O ATOM 887 CB LEU A 56 -10.093 1.529 2.610 1.00 13.35 C ATOM 888 CG LEU A 56 -8.618 1.205 2.935 1.00 53.43 C ATOM 889 CD1 LEU A 56 -8.554 -0.063 3.773 1.00 2.22 C ATOM 890 CD2 LEU A 56 -7.712 1.031 1.719 1.00 73.25 C ATOM 0 H LEU A 56 -9.571 3.507 3.839 1.00 12.41 H new ATOM 0 HA LEU A 56 -9.807 2.987 1.064 1.00 64.52 H new ATOM 0 HB2 LEU A 56 -10.681 1.431 3.523 1.00 13.35 H new ATOM 0 HB3 LEU A 56 -10.467 0.783 1.909 1.00 13.35 H new ATOM 0 HG LEU A 56 -8.242 2.075 3.473 1.00 53.43 H new ATOM 0 HD11 LEU A 56 -7.514 -0.294 4.004 1.00 2.22 H new ATOM 0 HD12 LEU A 56 -9.107 0.085 4.700 1.00 2.22 H new ATOM 0 HD13 LEU A 56 -8.995 -0.890 3.216 1.00 2.22 H new ATOM 0 HD21 LEU A 56 -6.698 0.806 2.050 1.00 73.25 H new ATOM 0 HD22 LEU A 56 -8.083 0.211 1.103 1.00 73.25 H new ATOM 0 HD23 LEU A 56 -7.707 1.951 1.134 1.00 73.25 H new ATOM 902 N SER A 57 -12.576 3.477 2.813 1.00 1.53 N ATOM 903 CA SER A 57 -13.996 3.745 2.717 1.00 45.10 C ATOM 904 C SER A 57 -14.257 5.036 1.944 1.00 50.32 C ATOM 905 O SER A 57 -15.093 5.050 1.036 1.00 10.33 O ATOM 906 CB SER A 57 -14.587 3.837 4.130 1.00 34.15 C ATOM 907 OG SER A 57 -15.997 3.886 4.082 1.00 34.23 O ATOM 0 H SER A 57 -12.213 3.530 3.765 1.00 1.53 H new ATOM 0 HA SER A 57 -14.476 2.931 2.173 1.00 45.10 H new ATOM 0 HB2 SER A 57 -14.268 2.977 4.719 1.00 34.15 H new ATOM 0 HB3 SER A 57 -14.205 4.726 4.632 1.00 34.15 H new ATOM 0 HG SER A 57 -16.354 3.943 4.993 1.00 34.23 H new ATOM 913 N ASP A 58 -13.522 6.099 2.263 1.00 41.32 N ATOM 914 CA ASP A 58 -13.636 7.422 1.660 1.00 22.12 C ATOM 915 C ASP A 58 -13.265 7.418 0.189 1.00 34.32 C ATOM 916 O ASP A 58 -13.992 8.000 -0.618 1.00 44.22 O ATOM 917 CB ASP A 58 -12.754 8.414 2.404 1.00 42.34 C ATOM 918 CG ASP A 58 -13.326 8.804 3.760 1.00 14.11 C ATOM 919 OD1 ASP A 58 -13.377 7.954 4.672 1.00 24.22 O ATOM 920 OD2 ASP A 58 -13.690 9.989 3.938 1.00 14.22 O ATOM 0 H ASP A 58 -12.799 6.058 2.981 1.00 41.32 H new ATOM 0 HA ASP A 58 -14.681 7.721 1.738 1.00 22.12 H new ATOM 0 HB2 ASP A 58 -11.763 7.981 2.543 1.00 42.34 H new ATOM 0 HB3 ASP A 58 -12.628 9.310 1.796 1.00 42.34 H new ATOM 925 N TYR A 59 -12.191 6.730 -0.193 1.00 2.24 N ATOM 926 CA TYR A 59 -11.768 6.667 -1.591 1.00 74.11 C ATOM 927 C TYR A 59 -12.536 5.553 -2.301 1.00 74.44 C ATOM 928 O TYR A 59 -12.373 5.381 -3.510 1.00 10.12 O ATOM 929 CB TYR A 59 -10.255 6.367 -1.665 1.00 53.34 C ATOM 930 CG TYR A 59 -9.343 7.525 -2.021 1.00 12.24 C ATOM 931 CD1 TYR A 59 -9.668 8.852 -1.675 1.00 13.13 C ATOM 932 CD2 TYR A 59 -8.152 7.259 -2.722 1.00 64.15 C ATOM 933 CE1 TYR A 59 -8.841 9.911 -2.082 1.00 54.41 C ATOM 934 CE2 TYR A 59 -7.301 8.308 -3.106 1.00 34.32 C ATOM 935 CZ TYR A 59 -7.656 9.637 -2.797 1.00 51.13 C ATOM 936 OH TYR A 59 -6.878 10.665 -3.221 1.00 60.10 O ATOM 0 H TYR A 59 -11.596 6.206 0.449 1.00 2.24 H new ATOM 0 HA TYR A 59 -11.972 7.623 -2.073 1.00 74.11 H new ATOM 0 HB2 TYR A 59 -9.940 5.971 -0.699 1.00 53.34 H new ATOM 0 HB3 TYR A 59 -10.101 5.576 -2.399 1.00 53.34 H new ATOM 0 HD1 TYR A 59 -10.556 9.055 -1.095 1.00 13.13 H new ATOM 0 HD2 TYR A 59 -7.890 6.240 -2.967 1.00 64.15 H new ATOM 0 HE1 TYR A 59 -9.111 10.930 -1.849 1.00 54.41 H new ATOM 0 HE2 TYR A 59 -6.382 8.098 -3.634 1.00 34.32 H new ATOM 0 HH TYR A 59 -6.098 10.310 -3.697 1.00 60.10 H new ATOM 946 N ASN A 60 -13.441 4.860 -1.593 1.00 51.13 N ATOM 947 CA ASN A 60 -14.243 3.757 -2.094 1.00 72.33 C ATOM 948 C ASN A 60 -13.264 2.795 -2.777 1.00 43.50 C ATOM 949 O ASN A 60 -13.483 2.455 -3.945 1.00 24.10 O ATOM 950 CB ASN A 60 -15.355 4.237 -3.069 1.00 31.53 C ATOM 951 CG ASN A 60 -16.369 5.281 -2.606 1.00 54.14 C ATOM 952 OD1 ASN A 60 -17.144 5.791 -3.406 1.00 61.53 O ATOM 953 ND2 ASN A 60 -16.504 5.586 -1.326 1.00 21.31 N ATOM 0 H ASN A 60 -13.635 5.070 -0.614 1.00 51.13 H new ATOM 0 HA ASN A 60 -14.775 3.264 -1.280 1.00 72.33 H new ATOM 0 HB2 ASN A 60 -14.861 4.634 -3.956 1.00 31.53 H new ATOM 0 HB3 ASN A 60 -15.915 3.356 -3.383 1.00 31.53 H new ATOM 0 HD21 ASN A 60 -17.238 6.229 -1.030 1.00 21.31 H new ATOM 0 HD22 ASN A 60 -15.874 5.178 -0.635 1.00 21.31 H new ATOM 960 N ILE A 61 -12.155 2.403 -2.110 1.00 32.04 N ATOM 961 CA ILE A 61 -11.186 1.509 -2.752 1.00 12.50 C ATOM 962 C ILE A 61 -11.911 0.312 -3.378 1.00 23.31 C ATOM 963 O ILE A 61 -12.873 -0.209 -2.801 1.00 33.55 O ATOM 964 CB ILE A 61 -10.037 1.133 -1.791 1.00 31.43 C ATOM 965 CG1 ILE A 61 -8.797 0.733 -2.618 1.00 73.24 C ATOM 966 CG2 ILE A 61 -10.458 0.030 -0.805 1.00 51.43 C ATOM 967 CD1 ILE A 61 -7.497 0.679 -1.815 1.00 22.41 C ATOM 0 H ILE A 61 -11.920 2.685 -1.158 1.00 32.04 H new ATOM 0 HA ILE A 61 -10.695 2.031 -3.573 1.00 12.50 H new ATOM 0 HB ILE A 61 -9.784 1.999 -1.180 1.00 31.43 H new ATOM 0 HG12 ILE A 61 -8.974 -0.244 -3.067 1.00 73.24 H new ATOM 0 HG13 ILE A 61 -8.676 1.443 -3.436 1.00 73.24 H new ATOM 0 HG21 ILE A 61 -9.623 -0.207 -0.146 1.00 51.43 H new ATOM 0 HG22 ILE A 61 -11.303 0.377 -0.210 1.00 51.43 H new ATOM 0 HG23 ILE A 61 -10.747 -0.863 -1.360 1.00 51.43 H new ATOM 0 HD11 ILE A 61 -6.676 0.390 -2.471 1.00 22.41 H new ATOM 0 HD12 ILE A 61 -7.292 1.661 -1.388 1.00 22.41 H new ATOM 0 HD13 ILE A 61 -7.595 -0.053 -1.013 1.00 22.41 H new ATOM 979 N GLN A 62 -11.527 -0.103 -4.581 1.00 13.00 N ATOM 980 CA GLN A 62 -12.190 -1.220 -5.224 1.00 41.01 C ATOM 981 C GLN A 62 -11.627 -2.488 -4.597 1.00 25.05 C ATOM 982 O GLN A 62 -10.408 -2.646 -4.479 1.00 70.31 O ATOM 983 CB GLN A 62 -11.985 -1.166 -6.742 1.00 72.24 C ATOM 984 CG GLN A 62 -12.772 -2.269 -7.462 1.00 24.12 C ATOM 985 CD GLN A 62 -14.270 -2.236 -7.163 1.00 33.53 C ATOM 986 OE1 GLN A 62 -14.939 -1.211 -7.272 1.00 15.45 O ATOM 987 NE2 GLN A 62 -14.833 -3.358 -6.756 1.00 71.45 N ATOM 0 H GLN A 62 -10.769 0.315 -5.121 1.00 13.00 H new ATOM 0 HA GLN A 62 -13.269 -1.190 -5.073 1.00 41.01 H new ATOM 0 HB2 GLN A 62 -12.299 -0.192 -7.117 1.00 72.24 H new ATOM 0 HB3 GLN A 62 -10.924 -1.269 -6.970 1.00 72.24 H new ATOM 0 HG2 GLN A 62 -12.621 -2.171 -8.537 1.00 24.12 H new ATOM 0 HG3 GLN A 62 -12.372 -3.240 -7.171 1.00 24.12 H new ATOM 0 HE21 GLN A 62 -14.274 -4.206 -6.667 1.00 71.45 H new ATOM 0 HE22 GLN A 62 -15.828 -3.377 -6.530 1.00 71.45 H new ATOM 996 N LYS A 63 -12.524 -3.372 -4.159 1.00 21.15 N ATOM 997 CA LYS A 63 -12.127 -4.622 -3.532 1.00 62.53 C ATOM 998 C LYS A 63 -11.304 -5.469 -4.499 1.00 31.23 C ATOM 999 O LYS A 63 -11.469 -5.368 -5.718 1.00 71.44 O ATOM 1000 CB LYS A 63 -13.364 -5.383 -3.022 1.00 13.15 C ATOM 1001 CG LYS A 63 -14.164 -6.058 -4.150 1.00 3.33 C ATOM 1002 CD LYS A 63 -15.412 -6.761 -3.619 1.00 42.14 C ATOM 1003 CE LYS A 63 -15.873 -7.784 -4.660 1.00 62.43 C ATOM 1004 NZ LYS A 63 -16.961 -8.640 -4.151 1.00 53.43 N ATOM 0 H LYS A 63 -13.533 -3.240 -4.230 1.00 21.15 H new ATOM 0 HA LYS A 63 -11.496 -4.400 -2.671 1.00 62.53 H new ATOM 0 HB2 LYS A 63 -13.047 -6.141 -2.305 1.00 13.15 H new ATOM 0 HB3 LYS A 63 -14.014 -4.691 -2.487 1.00 13.15 H new ATOM 0 HG2 LYS A 63 -14.455 -5.310 -4.887 1.00 3.33 H new ATOM 0 HG3 LYS A 63 -13.530 -6.781 -4.663 1.00 3.33 H new ATOM 0 HD2 LYS A 63 -15.194 -7.256 -2.672 1.00 42.14 H new ATOM 0 HD3 LYS A 63 -16.202 -6.035 -3.425 1.00 42.14 H new ATOM 0 HE2 LYS A 63 -16.211 -7.263 -5.555 1.00 62.43 H new ATOM 0 HE3 LYS A 63 -15.029 -8.408 -4.954 1.00 62.43 H new ATOM 0 HZ1 LYS A 63 -17.243 -9.318 -4.888 1.00 53.43 H new ATOM 0 HZ2 LYS A 63 -16.631 -9.158 -3.312 1.00 53.43 H new ATOM 0 HZ3 LYS A 63 -17.777 -8.048 -3.895 1.00 53.43 H new ATOM 1018 N GLU A 64 -10.462 -6.325 -3.931 1.00 33.40 N ATOM 1019 CA GLU A 64 -9.579 -7.262 -4.603 1.00 52.33 C ATOM 1020 C GLU A 64 -8.696 -6.611 -5.682 1.00 54.43 C ATOM 1021 O GLU A 64 -8.143 -7.311 -6.528 1.00 34.54 O ATOM 1022 CB GLU A 64 -10.416 -8.428 -5.167 1.00 31.51 C ATOM 1023 CG GLU A 64 -11.251 -9.194 -4.120 1.00 63.12 C ATOM 1024 CD GLU A 64 -12.221 -10.201 -4.757 1.00 33.23 C ATOM 1025 OE1 GLU A 64 -12.249 -10.325 -6.005 1.00 72.33 O ATOM 1026 OE2 GLU A 64 -13.021 -10.816 -4.012 1.00 44.43 O ATOM 0 H GLU A 64 -10.375 -6.384 -2.916 1.00 33.40 H new ATOM 0 HA GLU A 64 -8.874 -7.644 -3.864 1.00 52.33 H new ATOM 0 HB2 GLU A 64 -11.088 -8.037 -5.931 1.00 31.51 H new ATOM 0 HB3 GLU A 64 -9.746 -9.131 -5.661 1.00 31.51 H new ATOM 0 HG2 GLU A 64 -10.580 -9.721 -3.441 1.00 63.12 H new ATOM 0 HG3 GLU A 64 -11.816 -8.481 -3.520 1.00 63.12 H new ATOM 1033 N SER A 65 -8.556 -5.288 -5.691 1.00 23.04 N ATOM 1034 CA SER A 65 -7.745 -4.570 -6.652 1.00 21.14 C ATOM 1035 C SER A 65 -6.316 -4.622 -6.121 1.00 50.33 C ATOM 1036 O SER A 65 -6.075 -4.288 -4.957 1.00 43.04 O ATOM 1037 CB SER A 65 -8.297 -3.153 -6.824 1.00 61.44 C ATOM 1038 OG SER A 65 -7.630 -2.469 -7.865 1.00 44.43 O ATOM 0 H SER A 65 -9.015 -4.679 -5.014 1.00 23.04 H new ATOM 0 HA SER A 65 -7.763 -5.009 -7.649 1.00 21.14 H new ATOM 0 HB2 SER A 65 -9.364 -3.199 -7.041 1.00 61.44 H new ATOM 0 HB3 SER A 65 -8.185 -2.600 -5.891 1.00 61.44 H new ATOM 0 HG SER A 65 -8.003 -1.567 -7.955 1.00 44.43 H new ATOM 1044 N THR A 66 -5.370 -5.023 -6.966 1.00 0.50 N ATOM 1045 CA THR A 66 -3.968 -5.151 -6.602 1.00 12.25 C ATOM 1046 C THR A 66 -3.285 -3.783 -6.524 1.00 41.34 C ATOM 1047 O THR A 66 -3.113 -3.133 -7.565 1.00 62.24 O ATOM 1048 CB THR A 66 -3.263 -6.041 -7.644 1.00 31.23 C ATOM 1049 OG1 THR A 66 -3.538 -5.591 -8.962 1.00 22.13 O ATOM 1050 CG2 THR A 66 -3.681 -7.511 -7.578 1.00 31.40 C ATOM 0 H THR A 66 -5.562 -5.271 -7.937 1.00 0.50 H new ATOM 0 HA THR A 66 -3.900 -5.607 -5.614 1.00 12.25 H new ATOM 0 HB THR A 66 -2.202 -5.965 -7.404 1.00 31.23 H new ATOM 0 HG1 THR A 66 -3.517 -4.611 -8.984 1.00 22.13 H new ATOM 0 HG21 THR A 66 -3.145 -8.076 -8.340 1.00 31.40 H new ATOM 0 HG22 THR A 66 -3.443 -7.913 -6.593 1.00 31.40 H new ATOM 0 HG23 THR A 66 -4.754 -7.592 -7.754 1.00 31.40 H new ATOM 1058 N LEU A 67 -2.940 -3.299 -5.326 1.00 63.04 N ATOM 1059 CA LEU A 67 -2.245 -2.021 -5.201 1.00 3.13 C ATOM 1060 C LEU A 67 -0.819 -2.319 -5.647 1.00 62.24 C ATOM 1061 O LEU A 67 -0.206 -3.276 -5.163 1.00 52.45 O ATOM 1062 CB LEU A 67 -2.206 -1.473 -3.763 1.00 71.03 C ATOM 1063 CG LEU A 67 -3.515 -0.822 -3.285 1.00 55.30 C ATOM 1064 CD1 LEU A 67 -4.483 -1.870 -2.733 1.00 10.22 C ATOM 1065 CD2 LEU A 67 -3.234 0.222 -2.198 1.00 51.15 C ATOM 0 H LEU A 67 -3.129 -3.769 -4.441 1.00 63.04 H new ATOM 0 HA LEU A 67 -2.760 -1.263 -5.791 1.00 3.13 H new ATOM 0 HB2 LEU A 67 -1.954 -2.288 -3.085 1.00 71.03 H new ATOM 0 HB3 LEU A 67 -1.404 -0.739 -3.691 1.00 71.03 H new ATOM 0 HG LEU A 67 -3.971 -0.336 -4.148 1.00 55.30 H new ATOM 0 HD11 LEU A 67 -5.399 -1.381 -2.403 1.00 10.22 H new ATOM 0 HD12 LEU A 67 -4.719 -2.594 -3.513 1.00 10.22 H new ATOM 0 HD13 LEU A 67 -4.021 -2.383 -1.889 1.00 10.22 H new ATOM 0 HD21 LEU A 67 -4.173 0.671 -1.873 1.00 51.15 H new ATOM 0 HD22 LEU A 67 -2.749 -0.259 -1.349 1.00 51.15 H new ATOM 0 HD23 LEU A 67 -2.581 0.997 -2.598 1.00 51.15 H new ATOM 1077 N HIS A 68 -0.299 -1.526 -6.579 1.00 24.33 N ATOM 1078 CA HIS A 68 1.041 -1.698 -7.101 1.00 24.54 C ATOM 1079 C HIS A 68 1.985 -0.856 -6.249 1.00 74.42 C ATOM 1080 O HIS A 68 1.914 0.375 -6.247 1.00 10.22 O ATOM 1081 CB HIS A 68 1.078 -1.335 -8.587 1.00 12.14 C ATOM 1082 CG HIS A 68 2.284 -1.824 -9.355 1.00 72.34 C ATOM 1083 ND1 HIS A 68 2.554 -1.480 -10.658 1.00 1.23 N ATOM 1084 CD2 HIS A 68 3.244 -2.722 -8.961 1.00 0.25 C ATOM 1085 CE1 HIS A 68 3.646 -2.153 -11.046 1.00 5.44 C ATOM 1086 NE2 HIS A 68 4.111 -2.918 -10.044 1.00 21.33 N ATOM 0 H HIS A 68 -0.804 -0.742 -6.992 1.00 24.33 H new ATOM 0 HA HIS A 68 1.364 -2.737 -7.041 1.00 24.54 H new ATOM 0 HB2 HIS A 68 0.182 -1.735 -9.062 1.00 12.14 H new ATOM 0 HB3 HIS A 68 1.029 -0.250 -8.678 1.00 12.14 H new ATOM 0 HD2 HIS A 68 3.318 -3.192 -7.992 1.00 0.25 H new ATOM 0 HE1 HIS A 68 4.091 -2.089 -12.028 1.00 5.44 H new ATOM 0 HE2 HIS A 68 4.933 -3.522 -10.067 1.00 21.33 H new ATOM 1094 N LEU A 69 2.793 -1.544 -5.455 1.00 44.13 N ATOM 1095 CA LEU A 69 3.796 -1.013 -4.551 1.00 22.23 C ATOM 1096 C LEU A 69 5.116 -0.937 -5.321 1.00 51.12 C ATOM 1097 O LEU A 69 5.398 -1.803 -6.155 1.00 64.41 O ATOM 1098 CB LEU A 69 3.838 -1.927 -3.312 1.00 22.44 C ATOM 1099 CG LEU A 69 4.981 -1.681 -2.311 1.00 14.33 C ATOM 1100 CD1 LEU A 69 4.980 -0.266 -1.725 1.00 4.03 C ATOM 1101 CD2 LEU A 69 4.828 -2.682 -1.161 1.00 35.53 C ATOM 0 H LEU A 69 2.760 -2.563 -5.426 1.00 44.13 H new ATOM 0 HA LEU A 69 3.576 -0.007 -4.195 1.00 22.23 H new ATOM 0 HB2 LEU A 69 2.892 -1.824 -2.781 1.00 22.44 H new ATOM 0 HB3 LEU A 69 3.901 -2.960 -3.653 1.00 22.44 H new ATOM 0 HG LEU A 69 5.921 -1.805 -2.849 1.00 14.33 H new ATOM 0 HD11 LEU A 69 5.811 -0.160 -1.028 1.00 4.03 H new ATOM 0 HD12 LEU A 69 5.087 0.461 -2.530 1.00 4.03 H new ATOM 0 HD13 LEU A 69 4.041 -0.090 -1.200 1.00 4.03 H new ATOM 0 HD21 LEU A 69 5.628 -2.529 -0.436 1.00 35.53 H new ATOM 0 HD22 LEU A 69 3.864 -2.533 -0.675 1.00 35.53 H new ATOM 0 HD23 LEU A 69 4.884 -3.698 -1.553 1.00 35.53 H new ATOM 1113 N VAL A 70 5.898 0.120 -5.111 1.00 42.13 N ATOM 1114 CA VAL A 70 7.185 0.309 -5.774 1.00 4.01 C ATOM 1115 C VAL A 70 8.263 0.161 -4.697 1.00 71.30 C ATOM 1116 O VAL A 70 8.231 0.898 -3.710 1.00 62.51 O ATOM 1117 CB VAL A 70 7.224 1.693 -6.453 1.00 3.14 C ATOM 1118 CG1 VAL A 70 8.501 1.836 -7.288 1.00 3.34 C ATOM 1119 CG2 VAL A 70 6.004 1.983 -7.346 1.00 52.51 C ATOM 0 H VAL A 70 5.653 0.875 -4.470 1.00 42.13 H new ATOM 0 HA VAL A 70 7.352 -0.427 -6.560 1.00 4.01 H new ATOM 0 HB VAL A 70 7.206 2.422 -5.643 1.00 3.14 H new ATOM 0 HG11 VAL A 70 8.517 2.817 -7.763 1.00 3.34 H new ATOM 0 HG12 VAL A 70 9.372 1.731 -6.641 1.00 3.34 H new ATOM 0 HG13 VAL A 70 8.523 1.062 -8.055 1.00 3.34 H new ATOM 0 HG21 VAL A 70 6.104 2.974 -7.788 1.00 52.51 H new ATOM 0 HG22 VAL A 70 5.947 1.236 -8.138 1.00 52.51 H new ATOM 0 HG23 VAL A 70 5.096 1.944 -6.745 1.00 52.51 H new ATOM 1129 N LEU A 71 9.226 -0.744 -4.895 1.00 72.14 N ATOM 1130 CA LEU A 71 10.320 -1.021 -3.960 1.00 1.42 C ATOM 1131 C LEU A 71 11.465 -0.006 -4.094 1.00 10.22 C ATOM 1132 O LEU A 71 11.565 0.681 -5.108 1.00 71.30 O ATOM 1133 CB LEU A 71 10.830 -2.453 -4.223 1.00 52.10 C ATOM 1134 CG LEU A 71 11.878 -2.979 -3.217 1.00 50.14 C ATOM 1135 CD1 LEU A 71 11.348 -2.981 -1.782 1.00 13.55 C ATOM 1136 CD2 LEU A 71 12.275 -4.405 -3.595 1.00 42.21 C ATOM 0 H LEU A 71 9.267 -1.321 -5.735 1.00 72.14 H new ATOM 0 HA LEU A 71 9.945 -0.932 -2.940 1.00 1.42 H new ATOM 0 HB2 LEU A 71 9.976 -3.131 -4.220 1.00 52.10 H new ATOM 0 HB3 LEU A 71 11.262 -2.489 -5.223 1.00 52.10 H new ATOM 0 HG LEU A 71 12.738 -2.311 -3.261 1.00 50.14 H new ATOM 0 HD11 LEU A 71 12.119 -3.359 -1.110 1.00 13.55 H new ATOM 0 HD12 LEU A 71 11.079 -1.965 -1.492 1.00 13.55 H new ATOM 0 HD13 LEU A 71 10.468 -3.621 -1.720 1.00 13.55 H new ATOM 0 HD21 LEU A 71 13.014 -4.777 -2.886 1.00 42.21 H new ATOM 0 HD22 LEU A 71 11.394 -5.046 -3.571 1.00 42.21 H new ATOM 0 HD23 LEU A 71 12.700 -4.410 -4.599 1.00 42.21 H new ATOM 1148 N ARG A 72 12.295 0.118 -3.052 1.00 23.15 N ATOM 1149 CA ARG A 72 13.474 0.979 -2.931 1.00 64.42 C ATOM 1150 C ARG A 72 14.414 0.339 -1.901 1.00 52.03 C ATOM 1151 O ARG A 72 14.099 -0.708 -1.329 1.00 42.33 O ATOM 1152 CB ARG A 72 13.097 2.406 -2.474 1.00 22.11 C ATOM 1153 CG ARG A 72 12.419 3.284 -3.531 1.00 55.44 C ATOM 1154 CD ARG A 72 13.235 3.508 -4.801 1.00 44.54 C ATOM 1155 NE ARG A 72 14.441 4.316 -4.557 1.00 54.14 N ATOM 1156 CZ ARG A 72 15.127 4.973 -5.498 1.00 71.20 C ATOM 1157 NH1 ARG A 72 14.826 4.844 -6.787 1.00 34.31 N ATOM 1158 NH2 ARG A 72 16.101 5.780 -5.111 1.00 11.14 N ATOM 0 H ARG A 72 12.146 -0.427 -2.203 1.00 23.15 H new ATOM 0 HA ARG A 72 13.954 1.069 -3.905 1.00 64.42 H new ATOM 0 HB2 ARG A 72 12.434 2.329 -1.613 1.00 22.11 H new ATOM 0 HB3 ARG A 72 14.002 2.910 -2.135 1.00 22.11 H new ATOM 0 HG2 ARG A 72 11.467 2.829 -3.804 1.00 55.44 H new ATOM 0 HG3 ARG A 72 12.193 4.253 -3.086 1.00 55.44 H new ATOM 0 HD2 ARG A 72 13.525 2.544 -5.218 1.00 44.54 H new ATOM 0 HD3 ARG A 72 12.613 4.004 -5.547 1.00 44.54 H new ATOM 0 HE ARG A 72 14.779 4.380 -3.597 1.00 54.14 H new ATOM 0 HH11 ARG A 72 14.059 4.235 -7.073 1.00 34.31 H new ATOM 0 HH12 ARG A 72 15.362 5.354 -7.489 1.00 34.31 H new ATOM 0 HH21 ARG A 72 16.310 5.887 -4.119 1.00 11.14 H new ATOM 0 HH22 ARG A 72 16.643 6.295 -5.805 1.00 11.14 H new ATOM 1172 N LEU A 73 15.570 0.963 -1.685 1.00 51.25 N ATOM 1173 CA LEU A 73 16.619 0.581 -0.745 1.00 74.11 C ATOM 1174 C LEU A 73 17.063 1.881 -0.050 1.00 32.12 C ATOM 1175 O LEU A 73 16.619 2.965 -0.442 1.00 52.35 O ATOM 1176 CB LEU A 73 17.756 -0.130 -1.512 1.00 32.02 C ATOM 1177 CG LEU A 73 18.724 -0.942 -0.627 1.00 62.12 C ATOM 1178 CD1 LEU A 73 18.036 -2.159 0.002 1.00 64.03 C ATOM 1179 CD2 LEU A 73 19.913 -1.461 -1.440 1.00 72.42 C ATOM 0 H LEU A 73 15.815 1.809 -2.200 1.00 51.25 H new ATOM 0 HA LEU A 73 16.283 -0.128 0.012 1.00 74.11 H new ATOM 0 HB2 LEU A 73 17.314 -0.798 -2.251 1.00 32.02 H new ATOM 0 HB3 LEU A 73 18.328 0.618 -2.061 1.00 32.02 H new ATOM 0 HG LEU A 73 19.061 -0.260 0.154 1.00 62.12 H new ATOM 0 HD11 LEU A 73 18.752 -2.704 0.617 1.00 64.03 H new ATOM 0 HD12 LEU A 73 17.204 -1.826 0.622 1.00 64.03 H new ATOM 0 HD13 LEU A 73 17.663 -2.813 -0.786 1.00 64.03 H new ATOM 0 HD21 LEU A 73 20.578 -2.029 -0.790 1.00 72.42 H new ATOM 0 HD22 LEU A 73 19.552 -2.105 -2.242 1.00 72.42 H new ATOM 0 HD23 LEU A 73 20.457 -0.619 -1.868 1.00 72.42 H new ATOM 1191 N ARG A 74 17.920 1.821 0.969 1.00 62.42 N ATOM 1192 CA ARG A 74 18.400 2.986 1.705 1.00 51.44 C ATOM 1193 C ARG A 74 19.853 2.728 2.108 1.00 21.42 C ATOM 1194 O ARG A 74 20.106 2.048 3.101 1.00 34.02 O ATOM 1195 CB ARG A 74 17.457 3.206 2.903 1.00 62.00 C ATOM 1196 CG ARG A 74 17.500 4.607 3.519 1.00 33.23 C ATOM 1197 CD ARG A 74 18.780 4.873 4.315 1.00 73.44 C ATOM 1198 NE ARG A 74 18.781 6.229 4.874 1.00 23.30 N ATOM 1199 CZ ARG A 74 19.691 6.702 5.729 1.00 54.44 C ATOM 1200 NH1 ARG A 74 20.636 5.918 6.231 1.00 50.34 N ATOM 1201 NH2 ARG A 74 19.658 7.976 6.083 1.00 24.02 N ATOM 0 H ARG A 74 18.307 0.942 1.312 1.00 62.42 H new ATOM 0 HA ARG A 74 18.390 3.899 1.110 1.00 51.44 H new ATOM 0 HB2 ARG A 74 16.436 2.998 2.584 1.00 62.00 H new ATOM 0 HB3 ARG A 74 17.703 2.479 3.677 1.00 62.00 H new ATOM 0 HG2 ARG A 74 17.412 5.349 2.726 1.00 33.23 H new ATOM 0 HG3 ARG A 74 16.638 4.736 4.174 1.00 33.23 H new ATOM 0 HD2 ARG A 74 18.869 4.144 5.120 1.00 73.44 H new ATOM 0 HD3 ARG A 74 19.648 4.742 3.669 1.00 73.44 H new ATOM 0 HE ARG A 74 18.030 6.858 4.588 1.00 23.30 H new ATOM 0 HH11 ARG A 74 20.677 4.934 5.965 1.00 50.34 H new ATOM 0 HH12 ARG A 74 21.322 6.299 6.883 1.00 50.34 H new ATOM 0 HH21 ARG A 74 18.940 8.592 5.703 1.00 24.02 H new ATOM 0 HH22 ARG A 74 20.351 8.342 6.736 1.00 24.02 H new ATOM 1215 N GLY A 75 20.810 3.263 1.352 1.00 22.32 N ATOM 1216 CA GLY A 75 22.229 3.072 1.635 1.00 14.53 C ATOM 1217 C GLY A 75 22.642 1.616 1.410 1.00 42.53 C ATOM 1218 O GLY A 75 21.917 0.850 0.758 1.00 12.45 O ATOM 0 H GLY A 75 20.624 3.838 0.530 1.00 22.32 H new ATOM 0 HA2 GLY A 75 22.822 3.725 0.995 1.00 14.53 H new ATOM 0 HA3 GLY A 75 22.440 3.358 2.665 1.00 14.53 H new ATOM 1222 N GLY A 76 23.816 1.237 1.912 1.00 45.02 N ATOM 1223 CA GLY A 76 24.362 -0.104 1.796 1.00 34.44 C ATOM 1224 C GLY A 76 25.649 -0.172 2.583 1.00 64.22 C ATOM 1225 O GLY A 76 25.672 -0.828 3.642 1.00 20.10 O ATOM 0 H GLY A 76 24.426 1.875 2.423 1.00 45.02 H new ATOM 0 HA2 GLY A 76 23.649 -0.836 2.174 1.00 34.44 H new ATOM 0 HA3 GLY A 76 24.545 -0.348 0.750 1.00 34.44 H new TER 1229 GLY A 76