USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 821 hydrogens (14 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.0717 (180deg=-0.572) USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.197 (180deg=-1.02) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -1.6! (180deg=-2.18!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.253 (180deg=-1.44!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -0.919 (180deg=-2.55!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.24 F(o=-2.5!,f=-1.2) USER MOD Single : A 44 SER OG : rot 179:sc= 0 USER MOD Single : A 46 SER OG : rot 99:sc= 0.346 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.33) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -104:sc= -2.55! (180deg=-5.19!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.565 USER MOD Single : A 78 GLN : amide:sc= -0.164 K(o=-0.16,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= -3.73! (180deg=-4.29!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 140:sc= -3.82! (180deg=-6.41!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.97! C(o=-2!,f=-10!) USER MOD Single : A 94 LYS NZ :NH3+ 136:sc= -6.35! (180deg=-8.95!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.391 USER MOD Single : A 102 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.287 -3.595 8.344 1.00 0.85 N ATOM 2 CA MET A 1 -7.373 -2.862 9.266 1.00 0.49 C ATOM 3 C MET A 1 -6.061 -2.549 8.537 1.00 0.37 C ATOM 4 O MET A 1 -6.063 -2.106 7.406 1.00 0.37 O ATOM 5 CB MET A 1 -7.101 -3.727 10.501 1.00 0.80 C ATOM 6 CG MET A 1 -6.613 -5.112 10.065 1.00 1.26 C ATOM 7 SD MET A 1 -6.058 -6.039 11.517 1.00 2.14 S ATOM 8 CE MET A 1 -7.671 -6.713 11.984 1.00 2.88 C ATOM 0 H1 MET A 1 -9.029 -4.070 8.896 1.00 0.85 H new ATOM 0 H2 MET A 1 -8.725 -2.923 7.682 1.00 0.85 H new ATOM 0 H3 MET A 1 -7.746 -4.304 7.810 1.00 0.85 H new ATOM 0 HA MET A 1 -7.834 -1.926 9.582 1.00 0.49 H new ATOM 0 HB2 MET A 1 -6.352 -3.250 11.133 1.00 0.80 H new ATOM 0 HB3 MET A 1 -8.008 -3.822 11.097 1.00 0.80 H new ATOM 0 HG2 MET A 1 -7.416 -5.650 9.561 1.00 1.26 H new ATOM 0 HG3 MET A 1 -5.797 -5.013 9.349 1.00 1.26 H new ATOM 0 HE1 MET A 1 -7.563 -7.331 12.875 1.00 2.88 H new ATOM 0 HE2 MET A 1 -8.361 -5.895 12.191 1.00 2.88 H new ATOM 0 HE3 MET A 1 -8.062 -7.320 11.167 1.00 2.88 H new ATOM 20 N VAL A 2 -4.936 -2.773 9.170 1.00 0.31 N ATOM 21 CA VAL A 2 -3.628 -2.485 8.509 1.00 0.24 C ATOM 22 C VAL A 2 -2.598 -3.528 8.950 1.00 0.23 C ATOM 23 O VAL A 2 -2.755 -4.177 9.966 1.00 0.27 O ATOM 24 CB VAL A 2 -3.151 -1.090 8.918 1.00 0.28 C ATOM 25 CG1 VAL A 2 -1.904 -0.716 8.113 1.00 0.37 C ATOM 26 CG2 VAL A 2 -4.260 -0.074 8.641 1.00 0.32 C ATOM 0 H VAL A 2 -4.868 -3.144 10.118 1.00 0.31 H new ATOM 0 HA VAL A 2 -3.746 -2.526 7.426 1.00 0.24 H new ATOM 0 HB VAL A 2 -2.909 -1.087 9.981 1.00 0.28 H new ATOM 0 HG11 VAL A 2 -1.566 0.278 8.406 1.00 0.37 H new ATOM 0 HG12 VAL A 2 -1.113 -1.440 8.309 1.00 0.37 H new ATOM 0 HG13 VAL A 2 -2.143 -0.719 7.050 1.00 0.37 H new ATOM 0 HG21 VAL A 2 -3.923 0.921 8.932 1.00 0.32 H new ATOM 0 HG22 VAL A 2 -4.501 -0.079 7.578 1.00 0.32 H new ATOM 0 HG23 VAL A 2 -5.148 -0.338 9.216 1.00 0.32 H new ATOM 36 N LYS A 3 -1.545 -3.699 8.193 1.00 0.22 N ATOM 37 CA LYS A 3 -0.506 -4.705 8.570 1.00 0.25 C ATOM 38 C LYS A 3 0.857 -4.257 8.038 1.00 0.24 C ATOM 39 O LYS A 3 1.040 -4.062 6.852 1.00 0.26 O ATOM 40 CB LYS A 3 -0.868 -6.064 7.965 1.00 0.31 C ATOM 41 CG LYS A 3 -0.049 -7.162 8.647 1.00 0.39 C ATOM 42 CD LYS A 3 -0.448 -8.526 8.080 1.00 0.88 C ATOM 43 CE LYS A 3 0.515 -9.595 8.598 1.00 0.95 C ATOM 44 NZ LYS A 3 1.898 -9.278 8.146 1.00 1.76 N ATOM 0 H LYS A 3 -1.359 -3.186 7.331 1.00 0.22 H new ATOM 0 HA LYS A 3 -0.461 -4.790 9.656 1.00 0.25 H new ATOM 0 HB2 LYS A 3 -1.933 -6.258 8.092 1.00 0.31 H new ATOM 0 HB3 LYS A 3 -0.670 -6.061 6.893 1.00 0.31 H new ATOM 0 HG2 LYS A 3 1.015 -6.988 8.488 1.00 0.39 H new ATOM 0 HG3 LYS A 3 -0.218 -7.141 9.724 1.00 0.39 H new ATOM 0 HD2 LYS A 3 -1.469 -8.769 8.373 1.00 0.88 H new ATOM 0 HD3 LYS A 3 -0.427 -8.499 6.991 1.00 0.88 H new ATOM 0 HE2 LYS A 3 0.477 -9.637 9.687 1.00 0.95 H new ATOM 0 HE3 LYS A 3 0.217 -10.577 8.231 1.00 0.95 H new ATOM 0 HZ1 LYS A 3 2.456 -10.154 8.095 1.00 1.76 H new ATOM 0 HZ2 LYS A 3 1.863 -8.834 7.206 1.00 1.76 H new ATOM 0 HZ3 LYS A 3 2.343 -8.624 8.821 1.00 1.76 H new ATOM 58 N GLN A 4 1.817 -4.093 8.907 1.00 0.25 N ATOM 59 CA GLN A 4 3.171 -3.660 8.457 1.00 0.27 C ATOM 60 C GLN A 4 3.945 -4.872 7.927 1.00 0.24 C ATOM 61 O GLN A 4 4.133 -5.852 8.620 1.00 0.23 O ATOM 62 CB GLN A 4 3.922 -3.038 9.645 1.00 0.32 C ATOM 63 CG GLN A 4 5.418 -2.896 9.317 1.00 0.34 C ATOM 64 CD GLN A 4 6.057 -1.862 10.247 1.00 0.42 C ATOM 65 OE1 GLN A 4 6.393 -2.168 11.374 1.00 0.99 O ATOM 66 NE2 GLN A 4 6.241 -0.643 9.821 1.00 0.83 N ATOM 0 H GLN A 4 1.722 -4.241 9.912 1.00 0.25 H new ATOM 0 HA GLN A 4 3.078 -2.921 7.661 1.00 0.27 H new ATOM 0 HB2 GLN A 4 3.500 -2.061 9.879 1.00 0.32 H new ATOM 0 HB3 GLN A 4 3.795 -3.661 10.531 1.00 0.32 H new ATOM 0 HG2 GLN A 4 5.917 -3.858 9.430 1.00 0.34 H new ATOM 0 HG3 GLN A 4 5.545 -2.592 8.278 1.00 0.34 H new ATOM 0 HE21 GLN A 4 5.959 -0.385 8.875 1.00 0.83 H new ATOM 0 HE22 GLN A 4 6.667 0.053 10.434 1.00 0.83 H new ATOM 75 N ILE A 5 4.404 -4.806 6.706 1.00 0.24 N ATOM 76 CA ILE A 5 5.179 -5.946 6.132 1.00 0.23 C ATOM 77 C ILE A 5 6.657 -5.750 6.466 1.00 0.23 C ATOM 78 O ILE A 5 7.274 -4.787 6.053 1.00 0.25 O ATOM 79 CB ILE A 5 4.999 -5.971 4.609 1.00 0.26 C ATOM 80 CG1 ILE A 5 3.505 -5.817 4.247 1.00 0.27 C ATOM 81 CG2 ILE A 5 5.559 -7.284 4.042 1.00 0.29 C ATOM 82 CD1 ILE A 5 2.625 -6.706 5.137 1.00 0.26 C ATOM 0 H ILE A 5 4.276 -4.011 6.080 1.00 0.24 H new ATOM 0 HA ILE A 5 4.823 -6.887 6.551 1.00 0.23 H new ATOM 0 HB ILE A 5 5.546 -5.137 4.169 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.206 -4.775 4.360 1.00 0.27 H new ATOM 0 HG13 ILE A 5 3.352 -6.081 3.200 1.00 0.27 H new ATOM 0 HG21 ILE A 5 5.429 -7.298 2.960 1.00 0.29 H new ATOM 0 HG22 ILE A 5 6.620 -7.361 4.281 1.00 0.29 H new ATOM 0 HG23 ILE A 5 5.026 -8.127 4.482 1.00 0.29 H new ATOM 0 HD11 ILE A 5 1.579 -6.577 4.859 1.00 0.26 H new ATOM 0 HD12 ILE A 5 2.910 -7.750 5.003 1.00 0.26 H new ATOM 0 HD13 ILE A 5 2.761 -6.424 6.181 1.00 0.26 H new ATOM 94 N GLU A 6 7.230 -6.644 7.224 1.00 0.23 N ATOM 95 CA GLU A 6 8.668 -6.500 7.602 1.00 0.25 C ATOM 96 C GLU A 6 9.562 -7.195 6.568 1.00 0.25 C ATOM 97 O GLU A 6 10.737 -6.906 6.465 1.00 0.28 O ATOM 98 CB GLU A 6 8.887 -7.130 8.980 1.00 0.30 C ATOM 99 CG GLU A 6 7.699 -6.799 9.886 1.00 0.39 C ATOM 100 CD GLU A 6 8.008 -7.241 11.317 1.00 1.23 C ATOM 101 OE1 GLU A 6 8.522 -8.335 11.480 1.00 1.98 O ATOM 102 OE2 GLU A 6 7.727 -6.477 12.226 1.00 1.94 O ATOM 0 H GLU A 6 6.765 -7.470 7.600 1.00 0.23 H new ATOM 0 HA GLU A 6 8.928 -5.442 7.632 1.00 0.25 H new ATOM 0 HB2 GLU A 6 8.996 -8.210 8.885 1.00 0.30 H new ATOM 0 HB3 GLU A 6 9.810 -6.754 9.421 1.00 0.30 H new ATOM 0 HG2 GLU A 6 7.496 -5.728 9.861 1.00 0.39 H new ATOM 0 HG3 GLU A 6 6.802 -7.302 9.525 1.00 0.39 H new ATOM 109 N SER A 7 9.024 -8.109 5.805 1.00 0.24 N ATOM 110 CA SER A 7 9.866 -8.810 4.791 1.00 0.27 C ATOM 111 C SER A 7 8.976 -9.429 3.709 1.00 0.27 C ATOM 112 O SER A 7 7.788 -9.604 3.889 1.00 0.26 O ATOM 113 CB SER A 7 10.676 -9.911 5.477 1.00 0.32 C ATOM 114 OG SER A 7 9.839 -10.614 6.386 1.00 0.31 O ATOM 0 H SER A 7 8.047 -8.399 5.839 1.00 0.24 H new ATOM 0 HA SER A 7 10.542 -8.091 4.328 1.00 0.27 H new ATOM 0 HB2 SER A 7 11.081 -10.597 4.733 1.00 0.32 H new ATOM 0 HB3 SER A 7 11.524 -9.478 6.007 1.00 0.32 H new ATOM 0 HG SER A 7 10.355 -11.321 6.826 1.00 0.31 H new ATOM 120 N LYS A 8 9.551 -9.761 2.584 1.00 0.30 N ATOM 121 CA LYS A 8 8.754 -10.370 1.483 1.00 0.33 C ATOM 122 C LYS A 8 8.004 -11.594 2.007 1.00 0.33 C ATOM 123 O LYS A 8 6.973 -11.972 1.489 1.00 0.34 O ATOM 124 CB LYS A 8 9.695 -10.797 0.354 1.00 0.39 C ATOM 125 CG LYS A 8 8.878 -11.181 -0.884 1.00 0.43 C ATOM 126 CD LYS A 8 9.811 -11.339 -2.087 1.00 0.59 C ATOM 127 CE LYS A 8 10.902 -12.364 -1.768 1.00 1.06 C ATOM 128 NZ LYS A 8 10.313 -13.498 -0.999 1.00 1.96 N ATOM 0 H LYS A 8 10.543 -9.636 2.381 1.00 0.30 H new ATOM 0 HA LYS A 8 8.037 -9.640 1.108 1.00 0.33 H new ATOM 0 HB2 LYS A 8 10.380 -9.984 0.112 1.00 0.39 H new ATOM 0 HB3 LYS A 8 10.304 -11.642 0.676 1.00 0.39 H new ATOM 0 HG2 LYS A 8 8.341 -12.112 -0.703 1.00 0.43 H new ATOM 0 HG3 LYS A 8 8.129 -10.416 -1.090 1.00 0.43 H new ATOM 0 HD2 LYS A 8 9.242 -11.660 -2.960 1.00 0.59 H new ATOM 0 HD3 LYS A 8 10.263 -10.379 -2.336 1.00 0.59 H new ATOM 0 HE2 LYS A 8 11.351 -12.731 -2.691 1.00 1.06 H new ATOM 0 HE3 LYS A 8 11.699 -11.895 -1.191 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 10.927 -14.333 -1.086 1.00 1.96 H new ATOM 0 HZ2 LYS A 8 10.230 -13.232 0.003 1.00 1.96 H new ATOM 0 HZ3 LYS A 8 9.370 -13.721 -1.377 1.00 1.96 H new ATOM 142 N THR A 9 8.511 -12.220 3.031 1.00 0.34 N ATOM 143 CA THR A 9 7.819 -13.418 3.581 1.00 0.37 C ATOM 144 C THR A 9 6.398 -13.033 3.996 1.00 0.34 C ATOM 145 O THR A 9 5.430 -13.610 3.542 1.00 0.35 O ATOM 146 CB THR A 9 8.586 -13.938 4.800 1.00 0.42 C ATOM 147 OG1 THR A 9 9.944 -14.159 4.443 1.00 0.46 O ATOM 148 CG2 THR A 9 7.962 -15.248 5.279 1.00 0.51 C ATOM 0 H THR A 9 9.372 -11.955 3.510 1.00 0.34 H new ATOM 0 HA THR A 9 7.779 -14.198 2.821 1.00 0.37 H new ATOM 0 HB THR A 9 8.536 -13.202 5.602 1.00 0.42 H new ATOM 0 HG1 THR A 9 10.437 -14.490 5.222 1.00 0.46 H new ATOM 0 HG21 THR A 9 8.510 -15.616 6.147 1.00 0.51 H new ATOM 0 HG22 THR A 9 6.921 -15.076 5.553 1.00 0.51 H new ATOM 0 HG23 THR A 9 8.010 -15.987 4.480 1.00 0.51 H new ATOM 156 N ALA A 10 6.267 -12.061 4.855 1.00 0.33 N ATOM 157 CA ALA A 10 4.910 -11.635 5.301 1.00 0.33 C ATOM 158 C ALA A 10 4.120 -11.091 4.105 1.00 0.30 C ATOM 159 O ALA A 10 2.905 -11.091 4.103 1.00 0.30 O ATOM 160 CB ALA A 10 5.048 -10.545 6.369 1.00 0.36 C ATOM 0 H ALA A 10 7.042 -11.542 5.268 1.00 0.33 H new ATOM 0 HA ALA A 10 4.379 -12.490 5.720 1.00 0.33 H new ATOM 0 HB1 ALA A 10 4.058 -10.230 6.698 1.00 0.36 H new ATOM 0 HB2 ALA A 10 5.605 -10.938 7.220 1.00 0.36 H new ATOM 0 HB3 ALA A 10 5.579 -9.690 5.950 1.00 0.36 H new ATOM 166 N PHE A 11 4.797 -10.623 3.090 1.00 0.31 N ATOM 167 CA PHE A 11 4.077 -10.076 1.902 1.00 0.30 C ATOM 168 C PHE A 11 3.219 -11.173 1.266 1.00 0.27 C ATOM 169 O PHE A 11 2.062 -10.969 0.960 1.00 0.26 O ATOM 170 CB PHE A 11 5.090 -9.569 0.873 1.00 0.33 C ATOM 171 CG PHE A 11 4.371 -8.773 -0.194 1.00 0.36 C ATOM 172 CD1 PHE A 11 3.814 -7.517 0.120 1.00 0.41 C ATOM 173 CD2 PHE A 11 4.258 -9.284 -1.502 1.00 0.40 C ATOM 174 CE1 PHE A 11 3.146 -6.774 -0.872 1.00 0.47 C ATOM 175 CE2 PHE A 11 3.589 -8.541 -2.494 1.00 0.45 C ATOM 176 CZ PHE A 11 3.033 -7.286 -2.179 1.00 0.48 C ATOM 0 H PHE A 11 5.815 -10.596 3.032 1.00 0.31 H new ATOM 0 HA PHE A 11 3.438 -9.253 2.222 1.00 0.30 H new ATOM 0 HB2 PHE A 11 5.840 -8.947 1.362 1.00 0.33 H new ATOM 0 HB3 PHE A 11 5.617 -10.409 0.421 1.00 0.33 H new ATOM 0 HD1 PHE A 11 3.900 -7.124 1.122 1.00 0.41 H new ATOM 0 HD2 PHE A 11 4.685 -10.246 -1.744 1.00 0.40 H new ATOM 0 HE1 PHE A 11 2.720 -5.811 -0.631 1.00 0.47 H new ATOM 0 HE2 PHE A 11 3.502 -8.934 -3.496 1.00 0.45 H new ATOM 0 HZ PHE A 11 2.520 -6.716 -2.940 1.00 0.48 H new ATOM 186 N GLN A 12 3.781 -12.332 1.056 1.00 0.32 N ATOM 187 CA GLN A 12 2.999 -13.437 0.430 1.00 0.34 C ATOM 188 C GLN A 12 1.829 -13.829 1.334 1.00 0.29 C ATOM 189 O GLN A 12 0.685 -13.815 0.925 1.00 0.27 O ATOM 190 CB GLN A 12 3.911 -14.649 0.223 1.00 0.45 C ATOM 191 CG GLN A 12 5.083 -14.260 -0.680 1.00 0.65 C ATOM 192 CD GLN A 12 6.034 -15.450 -0.822 1.00 0.94 C ATOM 193 OE1 GLN A 12 6.048 -16.112 -1.840 1.00 1.61 O ATOM 194 NE2 GLN A 12 6.836 -15.750 0.163 1.00 1.54 N ATOM 0 H GLN A 12 4.747 -12.562 1.290 1.00 0.32 H new ATOM 0 HA GLN A 12 2.609 -13.100 -0.531 1.00 0.34 H new ATOM 0 HB2 GLN A 12 4.282 -15.006 1.184 1.00 0.45 H new ATOM 0 HB3 GLN A 12 3.349 -15.468 -0.226 1.00 0.45 H new ATOM 0 HG2 GLN A 12 4.716 -13.955 -1.660 1.00 0.65 H new ATOM 0 HG3 GLN A 12 5.613 -13.406 -0.259 1.00 0.65 H new ATOM 0 HE21 GLN A 12 6.824 -15.194 1.018 1.00 1.54 H new ATOM 0 HE22 GLN A 12 7.475 -16.541 0.078 1.00 1.54 H new ATOM 203 N GLU A 13 2.104 -14.185 2.558 1.00 0.32 N ATOM 204 CA GLU A 13 1.006 -14.585 3.483 1.00 0.33 C ATOM 205 C GLU A 13 0.005 -13.435 3.628 1.00 0.29 C ATOM 206 O GLU A 13 -1.153 -13.645 3.929 1.00 0.29 O ATOM 207 CB GLU A 13 1.594 -14.924 4.855 1.00 0.41 C ATOM 208 CG GLU A 13 2.299 -16.280 4.788 1.00 0.47 C ATOM 209 CD GLU A 13 3.493 -16.190 3.836 1.00 1.29 C ATOM 210 OE1 GLU A 13 4.526 -15.697 4.258 1.00 1.95 O ATOM 211 OE2 GLU A 13 3.353 -16.615 2.701 1.00 2.13 O ATOM 0 H GLU A 13 3.042 -14.216 2.958 1.00 0.32 H new ATOM 0 HA GLU A 13 0.495 -15.458 3.078 1.00 0.33 H new ATOM 0 HB2 GLU A 13 2.299 -14.151 5.161 1.00 0.41 H new ATOM 0 HB3 GLU A 13 0.803 -14.950 5.605 1.00 0.41 H new ATOM 0 HG2 GLU A 13 2.635 -16.576 5.782 1.00 0.47 H new ATOM 0 HG3 GLU A 13 1.604 -17.046 4.445 1.00 0.47 H new ATOM 218 N ALA A 14 0.441 -12.223 3.421 1.00 0.28 N ATOM 219 CA ALA A 14 -0.491 -11.066 3.554 1.00 0.28 C ATOM 220 C ALA A 14 -1.500 -11.075 2.402 1.00 0.25 C ATOM 221 O ALA A 14 -2.661 -10.764 2.582 1.00 0.25 O ATOM 222 CB ALA A 14 0.307 -9.761 3.520 1.00 0.31 C ATOM 0 H ALA A 14 1.399 -11.983 3.166 1.00 0.28 H new ATOM 0 HA ALA A 14 -1.025 -11.144 4.501 1.00 0.28 H new ATOM 0 HB1 ALA A 14 -0.374 -8.915 3.617 1.00 0.31 H new ATOM 0 HB2 ALA A 14 1.020 -9.749 4.344 1.00 0.31 H new ATOM 0 HB3 ALA A 14 0.844 -9.687 2.574 1.00 0.31 H new ATOM 228 N LEU A 15 -1.070 -11.425 1.219 1.00 0.25 N ATOM 229 CA LEU A 15 -2.013 -11.447 0.063 1.00 0.25 C ATOM 230 C LEU A 15 -3.018 -12.586 0.241 1.00 0.26 C ATOM 231 O LEU A 15 -4.199 -12.425 0.008 1.00 0.26 O ATOM 232 CB LEU A 15 -1.230 -11.660 -1.236 1.00 0.29 C ATOM 233 CG LEU A 15 -0.189 -10.543 -1.414 1.00 0.29 C ATOM 234 CD1 LEU A 15 0.855 -10.979 -2.443 1.00 0.32 C ATOM 235 CD2 LEU A 15 -0.867 -9.254 -1.901 1.00 0.41 C ATOM 0 H LEU A 15 -0.110 -11.696 1.004 1.00 0.25 H new ATOM 0 HA LEU A 15 -2.545 -10.497 0.016 1.00 0.25 H new ATOM 0 HB2 LEU A 15 -0.734 -12.630 -1.216 1.00 0.29 H new ATOM 0 HB3 LEU A 15 -1.914 -11.669 -2.085 1.00 0.29 H new ATOM 0 HG LEU A 15 0.290 -10.354 -0.453 1.00 0.29 H new ATOM 0 HD11 LEU A 15 1.594 -10.187 -2.570 1.00 0.32 H new ATOM 0 HD12 LEU A 15 1.351 -11.886 -2.097 1.00 0.32 H new ATOM 0 HD13 LEU A 15 0.366 -11.175 -3.397 1.00 0.32 H new ATOM 0 HD21 LEU A 15 -0.117 -8.472 -2.022 1.00 0.41 H new ATOM 0 HD22 LEU A 15 -1.356 -9.439 -2.857 1.00 0.41 H new ATOM 0 HD23 LEU A 15 -1.609 -8.935 -1.169 1.00 0.41 H new ATOM 247 N ASP A 16 -2.561 -13.738 0.651 1.00 0.28 N ATOM 248 CA ASP A 16 -3.497 -14.882 0.839 1.00 0.30 C ATOM 249 C ASP A 16 -4.434 -14.585 2.011 1.00 0.30 C ATOM 250 O ASP A 16 -5.552 -15.056 2.058 1.00 0.31 O ATOM 251 CB ASP A 16 -2.697 -16.153 1.133 1.00 0.35 C ATOM 252 CG ASP A 16 -3.653 -17.341 1.254 1.00 0.43 C ATOM 253 OD1 ASP A 16 -4.429 -17.358 2.194 1.00 1.15 O ATOM 254 OD2 ASP A 16 -3.593 -18.213 0.403 1.00 1.12 O ATOM 0 H ASP A 16 -1.583 -13.936 0.863 1.00 0.28 H new ATOM 0 HA ASP A 16 -4.084 -15.025 -0.068 1.00 0.30 H new ATOM 0 HB2 ASP A 16 -1.975 -16.333 0.337 1.00 0.35 H new ATOM 0 HB3 ASP A 16 -2.130 -16.033 2.056 1.00 0.35 H new ATOM 259 N ALA A 17 -3.986 -13.805 2.957 1.00 0.31 N ATOM 260 CA ALA A 17 -4.853 -13.477 4.123 1.00 0.33 C ATOM 261 C ALA A 17 -5.994 -12.565 3.667 1.00 0.30 C ATOM 262 O ALA A 17 -7.105 -12.654 4.151 1.00 0.32 O ATOM 263 CB ALA A 17 -4.023 -12.761 5.190 1.00 0.39 C ATOM 0 H ALA A 17 -3.058 -13.381 2.972 1.00 0.31 H new ATOM 0 HA ALA A 17 -5.266 -14.396 4.540 1.00 0.33 H new ATOM 0 HB1 ALA A 17 -4.657 -12.521 6.044 1.00 0.39 H new ATOM 0 HB2 ALA A 17 -3.209 -13.410 5.514 1.00 0.39 H new ATOM 0 HB3 ALA A 17 -3.611 -11.842 4.774 1.00 0.39 H new ATOM 269 N ALA A 18 -5.728 -11.688 2.737 1.00 0.29 N ATOM 270 CA ALA A 18 -6.795 -10.772 2.248 1.00 0.28 C ATOM 271 C ALA A 18 -7.917 -11.590 1.604 1.00 0.26 C ATOM 272 O ALA A 18 -9.072 -11.217 1.641 1.00 0.30 O ATOM 273 CB ALA A 18 -6.207 -9.811 1.212 1.00 0.29 C ATOM 0 H ALA A 18 -4.817 -11.567 2.295 1.00 0.29 H new ATOM 0 HA ALA A 18 -7.196 -10.203 3.087 1.00 0.28 H new ATOM 0 HB1 ALA A 18 -6.988 -9.140 0.854 1.00 0.29 H new ATOM 0 HB2 ALA A 18 -5.409 -9.227 1.670 1.00 0.29 H new ATOM 0 HB3 ALA A 18 -5.805 -10.381 0.374 1.00 0.29 H new ATOM 279 N GLY A 19 -7.585 -12.707 1.013 1.00 0.25 N ATOM 280 CA GLY A 19 -8.632 -13.549 0.367 1.00 0.26 C ATOM 281 C GLY A 19 -8.979 -12.969 -1.006 1.00 0.24 C ATOM 282 O GLY A 19 -8.309 -13.231 -1.986 1.00 0.28 O ATOM 0 H GLY A 19 -6.635 -13.072 0.950 1.00 0.25 H new ATOM 0 HA2 GLY A 19 -8.275 -14.574 0.261 1.00 0.26 H new ATOM 0 HA3 GLY A 19 -9.523 -13.585 0.994 1.00 0.26 H new ATOM 286 N ASP A 20 -10.022 -12.182 -1.080 1.00 0.21 N ATOM 287 CA ASP A 20 -10.430 -11.571 -2.386 1.00 0.21 C ATOM 288 C ASP A 20 -10.733 -10.087 -2.175 1.00 0.18 C ATOM 289 O ASP A 20 -11.225 -9.412 -3.058 1.00 0.20 O ATOM 290 CB ASP A 20 -11.685 -12.277 -2.906 1.00 0.25 C ATOM 291 CG ASP A 20 -11.461 -13.791 -2.897 1.00 1.43 C ATOM 292 OD1 ASP A 20 -10.340 -14.206 -3.143 1.00 2.28 O ATOM 293 OD2 ASP A 20 -12.413 -14.509 -2.643 1.00 2.11 O ATOM 0 H ASP A 20 -10.614 -11.934 -0.287 1.00 0.21 H new ATOM 0 HA ASP A 20 -9.623 -11.681 -3.111 1.00 0.21 H new ATOM 0 HB2 ASP A 20 -12.543 -12.022 -2.283 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -11.913 -11.939 -3.917 1.00 0.25 H new ATOM 298 N LYS A 21 -10.436 -9.571 -1.014 1.00 0.17 N ATOM 299 CA LYS A 21 -10.701 -8.129 -0.750 1.00 0.18 C ATOM 300 C LYS A 21 -9.630 -7.291 -1.453 1.00 0.16 C ATOM 301 O LYS A 21 -8.583 -7.787 -1.818 1.00 0.16 O ATOM 302 CB LYS A 21 -10.656 -7.867 0.764 1.00 0.19 C ATOM 303 CG LYS A 21 -11.984 -8.293 1.405 1.00 0.23 C ATOM 304 CD LYS A 21 -11.997 -7.921 2.897 1.00 0.31 C ATOM 305 CE LYS A 21 -11.251 -8.980 3.716 1.00 0.56 C ATOM 306 NZ LYS A 21 -11.868 -10.318 3.486 1.00 1.59 N ATOM 0 H LYS A 21 -10.021 -10.086 -0.237 1.00 0.17 H new ATOM 0 HA LYS A 21 -11.686 -7.857 -1.129 1.00 0.18 H new ATOM 0 HB2 LYS A 21 -9.831 -8.419 1.214 1.00 0.19 H new ATOM 0 HB3 LYS A 21 -10.473 -6.809 0.954 1.00 0.19 H new ATOM 0 HG2 LYS A 21 -12.815 -7.807 0.894 1.00 0.23 H new ATOM 0 HG3 LYS A 21 -12.124 -9.368 1.289 1.00 0.23 H new ATOM 0 HD2 LYS A 21 -11.531 -6.946 3.040 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -13.025 -7.837 3.249 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -10.199 -9.000 3.431 1.00 0.56 H new ATOM 0 HE3 LYS A 21 -11.290 -8.728 4.776 1.00 0.56 H new ATOM 0 HZ1 LYS A 21 -11.723 -10.916 4.324 1.00 1.59 H new ATOM 0 HZ2 LYS A 21 -12.887 -10.205 3.313 1.00 1.59 H new ATOM 0 HZ3 LYS A 21 -11.425 -10.767 2.659 1.00 1.59 H new ATOM 320 N LEU A 22 -9.883 -6.026 -1.651 1.00 0.16 N ATOM 321 CA LEU A 22 -8.875 -5.169 -2.335 1.00 0.16 C ATOM 322 C LEU A 22 -7.599 -5.127 -1.480 1.00 0.15 C ATOM 323 O LEU A 22 -7.622 -5.424 -0.302 1.00 0.17 O ATOM 324 CB LEU A 22 -9.461 -3.743 -2.517 1.00 0.19 C ATOM 325 CG LEU A 22 -9.563 -3.368 -4.011 1.00 0.20 C ATOM 326 CD1 LEU A 22 -10.253 -2.002 -4.142 1.00 0.22 C ATOM 327 CD2 LEU A 22 -8.155 -3.296 -4.640 1.00 0.28 C ATOM 0 H LEU A 22 -10.741 -5.551 -1.370 1.00 0.16 H new ATOM 0 HA LEU A 22 -8.630 -5.574 -3.317 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -10.448 -3.691 -2.058 1.00 0.19 H new ATOM 0 HB3 LEU A 22 -8.831 -3.019 -2.000 1.00 0.19 H new ATOM 0 HG LEU A 22 -10.144 -4.129 -4.533 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -10.328 -1.732 -5.195 1.00 0.22 H new ATOM 0 HD12 LEU A 22 -11.252 -2.056 -3.709 1.00 0.22 H new ATOM 0 HD13 LEU A 22 -9.669 -1.248 -3.614 1.00 0.22 H new ATOM 0 HD21 LEU A 22 -8.240 -3.031 -5.694 1.00 0.28 H new ATOM 0 HD22 LEU A 22 -7.563 -2.541 -4.122 1.00 0.28 H new ATOM 0 HD23 LEU A 22 -7.666 -4.266 -4.548 1.00 0.28 H new ATOM 339 N VAL A 23 -6.488 -4.762 -2.066 1.00 0.14 N ATOM 340 CA VAL A 23 -5.211 -4.703 -1.290 1.00 0.15 C ATOM 341 C VAL A 23 -4.318 -3.603 -1.864 1.00 0.14 C ATOM 342 O VAL A 23 -3.575 -3.818 -2.800 1.00 0.16 O ATOM 343 CB VAL A 23 -4.484 -6.046 -1.396 1.00 0.18 C ATOM 344 CG1 VAL A 23 -3.224 -6.009 -0.531 1.00 0.23 C ATOM 345 CG2 VAL A 23 -5.405 -7.170 -0.910 1.00 0.19 C ATOM 0 H VAL A 23 -6.409 -4.502 -3.049 1.00 0.14 H new ATOM 0 HA VAL A 23 -5.434 -4.489 -0.245 1.00 0.15 H new ATOM 0 HB VAL A 23 -4.209 -6.229 -2.435 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -2.704 -6.964 -0.604 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -2.568 -5.211 -0.878 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -3.501 -5.825 0.507 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -4.885 -8.125 -0.986 1.00 0.19 H new ATOM 0 HG22 VAL A 23 -5.682 -6.990 0.129 1.00 0.19 H new ATOM 0 HG23 VAL A 23 -6.304 -7.196 -1.526 1.00 0.19 H new ATOM 355 N VAL A 24 -4.380 -2.423 -1.306 1.00 0.13 N ATOM 356 CA VAL A 24 -3.535 -1.300 -1.813 1.00 0.13 C ATOM 357 C VAL A 24 -2.277 -1.184 -0.951 1.00 0.13 C ATOM 358 O VAL A 24 -2.345 -0.939 0.237 1.00 0.14 O ATOM 359 CB VAL A 24 -4.331 0.004 -1.732 1.00 0.13 C ATOM 360 CG1 VAL A 24 -3.541 1.133 -2.400 1.00 0.16 C ATOM 361 CG2 VAL A 24 -5.669 -0.174 -2.453 1.00 0.16 C ATOM 0 H VAL A 24 -4.982 -2.187 -0.517 1.00 0.13 H new ATOM 0 HA VAL A 24 -3.250 -1.491 -2.848 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.507 0.256 -0.686 1.00 0.13 H new ATOM 0 HG11 VAL A 24 -4.111 2.060 -2.341 1.00 0.16 H new ATOM 0 HG12 VAL A 24 -2.586 1.260 -1.890 1.00 0.16 H new ATOM 0 HG13 VAL A 24 -3.363 0.883 -3.446 1.00 0.16 H new ATOM 0 HG21 VAL A 24 -6.239 0.754 -2.397 1.00 0.16 H new ATOM 0 HG22 VAL A 24 -5.488 -0.427 -3.498 1.00 0.16 H new ATOM 0 HG23 VAL A 24 -6.234 -0.976 -1.978 1.00 0.16 H new ATOM 371 N VAL A 25 -1.123 -1.362 -1.542 1.00 0.13 N ATOM 372 CA VAL A 25 0.149 -1.267 -0.765 1.00 0.13 C ATOM 373 C VAL A 25 0.726 0.140 -0.910 1.00 0.14 C ATOM 374 O VAL A 25 0.706 0.719 -1.978 1.00 0.25 O ATOM 375 CB VAL A 25 1.157 -2.284 -1.308 1.00 0.14 C ATOM 376 CG1 VAL A 25 2.359 -2.366 -0.367 1.00 0.17 C ATOM 377 CG2 VAL A 25 0.492 -3.659 -1.403 1.00 0.15 C ATOM 0 H VAL A 25 -1.007 -1.570 -2.534 1.00 0.13 H new ATOM 0 HA VAL A 25 -0.051 -1.477 0.286 1.00 0.13 H new ATOM 0 HB VAL A 25 1.491 -1.970 -2.297 1.00 0.14 H new ATOM 0 HG11 VAL A 25 3.076 -3.090 -0.754 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.834 -1.387 -0.297 1.00 0.17 H new ATOM 0 HG13 VAL A 25 2.026 -2.679 0.622 1.00 0.17 H new ATOM 0 HG21 VAL A 25 1.209 -4.384 -1.789 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.158 -3.971 -0.413 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.365 -3.603 -2.074 1.00 0.15 H new ATOM 387 N ASP A 26 1.243 0.692 0.160 1.00 0.14 N ATOM 388 CA ASP A 26 1.832 2.068 0.106 1.00 0.14 C ATOM 389 C ASP A 26 3.344 1.971 0.300 1.00 0.14 C ATOM 390 O ASP A 26 3.822 1.565 1.340 1.00 0.14 O ATOM 391 CB ASP A 26 1.232 2.915 1.231 1.00 0.15 C ATOM 392 CG ASP A 26 1.871 4.306 1.219 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.281 4.739 0.154 1.00 1.08 O ATOM 394 OD2 ASP A 26 1.940 4.913 2.275 1.00 1.07 O ATOM 0 H ASP A 26 1.283 0.245 1.076 1.00 0.14 H new ATOM 0 HA ASP A 26 1.612 2.528 -0.857 1.00 0.14 H new ATOM 0 HB2 ASP A 26 0.153 2.998 1.102 1.00 0.15 H new ATOM 0 HB3 ASP A 26 1.402 2.433 2.194 1.00 0.15 H new ATOM 399 N PHE A 27 4.104 2.345 -0.697 1.00 0.14 N ATOM 400 CA PHE A 27 5.592 2.282 -0.581 1.00 0.15 C ATOM 401 C PHE A 27 6.128 3.677 -0.261 1.00 0.15 C ATOM 402 O PHE A 27 6.226 4.529 -1.121 1.00 0.20 O ATOM 403 CB PHE A 27 6.183 1.805 -1.911 1.00 0.17 C ATOM 404 CG PHE A 27 5.787 0.366 -2.154 1.00 0.17 C ATOM 405 CD1 PHE A 27 6.360 -0.660 -1.380 1.00 0.16 C ATOM 406 CD2 PHE A 27 4.847 0.049 -3.156 1.00 0.21 C ATOM 407 CE1 PHE A 27 5.995 -2.001 -1.604 1.00 0.18 C ATOM 408 CE2 PHE A 27 4.482 -1.292 -3.380 1.00 0.22 C ATOM 409 CZ PHE A 27 5.056 -2.317 -2.604 1.00 0.20 C ATOM 0 H PHE A 27 3.756 2.693 -1.591 1.00 0.14 H new ATOM 0 HA PHE A 27 5.872 1.589 0.212 1.00 0.15 H new ATOM 0 HB2 PHE A 27 5.825 2.434 -2.726 1.00 0.17 H new ATOM 0 HB3 PHE A 27 7.269 1.896 -1.892 1.00 0.17 H new ATOM 0 HD1 PHE A 27 7.081 -0.418 -0.613 1.00 0.16 H new ATOM 0 HD2 PHE A 27 4.407 0.835 -3.752 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.435 -2.787 -1.009 1.00 0.18 H new ATOM 0 HE2 PHE A 27 3.762 -1.535 -4.147 1.00 0.22 H new ATOM 0 HZ PHE A 27 4.776 -3.346 -2.776 1.00 0.20 H new ATOM 419 N SER A 28 6.472 3.920 0.978 1.00 0.16 N ATOM 420 CA SER A 28 6.999 5.262 1.369 1.00 0.16 C ATOM 421 C SER A 28 8.110 5.089 2.406 1.00 0.16 C ATOM 422 O SER A 28 8.329 4.010 2.924 1.00 0.21 O ATOM 423 CB SER A 28 5.868 6.094 1.974 1.00 0.19 C ATOM 424 OG SER A 28 4.722 6.007 1.136 1.00 1.03 O ATOM 0 H SER A 28 6.410 3.243 1.739 1.00 0.16 H new ATOM 0 HA SER A 28 7.396 5.768 0.489 1.00 0.16 H new ATOM 0 HB2 SER A 28 5.630 5.733 2.974 1.00 0.19 H new ATOM 0 HB3 SER A 28 6.180 7.133 2.077 1.00 0.19 H new ATOM 0 HG SER A 28 3.994 6.538 1.521 1.00 1.03 H new ATOM 430 N ALA A 29 8.817 6.147 2.708 1.00 0.23 N ATOM 431 CA ALA A 29 9.922 6.061 3.709 1.00 0.25 C ATOM 432 C ALA A 29 9.408 6.534 5.077 1.00 0.26 C ATOM 433 O ALA A 29 9.283 7.715 5.329 1.00 0.27 O ATOM 434 CB ALA A 29 11.089 6.950 3.240 1.00 0.29 C ATOM 0 H ALA A 29 8.676 7.072 2.302 1.00 0.23 H new ATOM 0 HA ALA A 29 10.268 5.031 3.801 1.00 0.25 H new ATOM 0 HB1 ALA A 29 11.902 6.895 3.964 1.00 0.29 H new ATOM 0 HB2 ALA A 29 11.443 6.603 2.269 1.00 0.29 H new ATOM 0 HB3 ALA A 29 10.749 7.982 3.155 1.00 0.29 H new ATOM 440 N THR A 30 9.116 5.622 5.961 1.00 0.29 N ATOM 441 CA THR A 30 8.620 6.028 7.307 1.00 0.33 C ATOM 442 C THR A 30 9.641 6.967 7.956 1.00 0.35 C ATOM 443 O THR A 30 9.300 7.818 8.752 1.00 0.38 O ATOM 444 CB THR A 30 8.428 4.781 8.181 1.00 0.39 C ATOM 445 OG1 THR A 30 7.721 5.140 9.360 1.00 0.47 O ATOM 446 CG2 THR A 30 9.789 4.188 8.565 1.00 0.39 C ATOM 0 H THR A 30 9.199 4.616 5.812 1.00 0.29 H new ATOM 0 HA THR A 30 7.665 6.543 7.208 1.00 0.33 H new ATOM 0 HB THR A 30 7.863 4.036 7.620 1.00 0.39 H new ATOM 0 HG1 THR A 30 7.595 4.346 9.920 1.00 0.47 H new ATOM 0 HG21 THR A 30 9.639 3.304 9.185 1.00 0.39 H new ATOM 0 HG22 THR A 30 10.333 3.910 7.662 1.00 0.39 H new ATOM 0 HG23 THR A 30 10.364 4.928 9.121 1.00 0.39 H new ATOM 454 N TRP A 31 10.893 6.814 7.618 1.00 0.36 N ATOM 455 CA TRP A 31 11.941 7.690 8.210 1.00 0.40 C ATOM 456 C TRP A 31 11.877 9.073 7.556 1.00 0.39 C ATOM 457 O TRP A 31 12.176 10.077 8.171 1.00 0.46 O ATOM 458 CB TRP A 31 13.318 7.065 7.970 1.00 0.43 C ATOM 459 CG TRP A 31 13.539 6.891 6.502 1.00 0.39 C ATOM 460 CD1 TRP A 31 13.137 5.822 5.775 1.00 0.35 C ATOM 461 CD2 TRP A 31 14.207 7.791 5.574 1.00 0.43 C ATOM 462 NE1 TRP A 31 13.520 6.007 4.456 1.00 0.38 N ATOM 463 CE2 TRP A 31 14.181 7.205 4.279 1.00 0.42 C ATOM 464 CE3 TRP A 31 14.830 9.051 5.727 1.00 0.51 C ATOM 465 CZ2 TRP A 31 14.754 7.849 3.173 1.00 0.50 C ATOM 466 CZ3 TRP A 31 15.407 9.702 4.616 1.00 0.58 C ATOM 467 CH2 TRP A 31 15.369 9.102 3.342 1.00 0.57 C ATOM 0 H TRP A 31 11.235 6.118 6.955 1.00 0.36 H new ATOM 0 HA TRP A 31 11.773 7.792 9.282 1.00 0.40 H new ATOM 0 HB2 TRP A 31 14.096 7.701 8.393 1.00 0.43 H new ATOM 0 HB3 TRP A 31 13.385 6.101 8.475 1.00 0.43 H new ATOM 0 HD1 TRP A 31 12.605 4.965 6.160 1.00 0.35 H new ATOM 0 HE1 TRP A 31 13.336 5.339 3.707 1.00 0.38 H new ATOM 0 HE3 TRP A 31 14.864 9.518 6.700 1.00 0.51 H new ATOM 0 HZ2 TRP A 31 14.723 7.386 2.198 1.00 0.50 H new ATOM 0 HZ3 TRP A 31 15.880 10.665 4.743 1.00 0.58 H new ATOM 0 HH2 TRP A 31 15.812 9.605 2.495 1.00 0.57 H new ATOM 478 N CYS A 32 11.484 9.132 6.312 1.00 0.33 N ATOM 479 CA CYS A 32 11.393 10.449 5.619 1.00 0.35 C ATOM 480 C CYS A 32 10.337 11.311 6.318 1.00 0.34 C ATOM 481 O CYS A 32 9.558 10.825 7.114 1.00 0.33 O ATOM 482 CB CYS A 32 11.006 10.218 4.152 1.00 0.33 C ATOM 483 SG CYS A 32 10.362 11.745 3.419 1.00 0.36 S ATOM 0 H CYS A 32 11.222 8.325 5.746 1.00 0.33 H new ATOM 0 HA CYS A 32 12.353 10.963 5.657 1.00 0.35 H new ATOM 0 HB2 CYS A 32 11.875 9.876 3.590 1.00 0.33 H new ATOM 0 HB3 CYS A 32 10.254 9.431 4.087 1.00 0.33 H new ATOM 488 N GLY A 33 10.311 12.589 6.031 1.00 0.38 N ATOM 489 CA GLY A 33 9.313 13.500 6.681 1.00 0.39 C ATOM 490 C GLY A 33 8.183 13.834 5.694 1.00 0.36 C ATOM 491 O GLY A 33 7.074 13.371 5.863 1.00 0.32 O ATOM 0 H GLY A 33 10.941 13.045 5.371 1.00 0.38 H new ATOM 0 HA2 GLY A 33 8.901 13.025 7.571 1.00 0.39 H new ATOM 0 HA3 GLY A 33 9.804 14.417 7.008 1.00 0.39 H new ATOM 495 N PRO A 34 8.490 14.632 4.692 1.00 0.39 N ATOM 496 CA PRO A 34 7.486 15.028 3.685 1.00 0.39 C ATOM 497 C PRO A 34 6.800 13.785 3.098 1.00 0.33 C ATOM 498 O PRO A 34 5.723 13.868 2.542 1.00 0.33 O ATOM 499 CB PRO A 34 8.285 15.804 2.609 1.00 0.47 C ATOM 500 CG PRO A 34 9.759 15.908 3.107 1.00 0.51 C ATOM 501 CD PRO A 34 9.841 15.193 4.475 1.00 0.47 C ATOM 0 HA PRO A 34 6.689 15.641 4.105 1.00 0.39 H new ATOM 0 HB2 PRO A 34 8.239 15.287 1.650 1.00 0.47 H new ATOM 0 HB3 PRO A 34 7.860 16.796 2.457 1.00 0.47 H new ATOM 0 HG2 PRO A 34 10.439 15.445 2.392 1.00 0.51 H new ATOM 0 HG3 PRO A 34 10.059 16.952 3.202 1.00 0.51 H new ATOM 0 HD2 PRO A 34 10.598 14.409 4.466 1.00 0.47 H new ATOM 0 HD3 PRO A 34 10.112 15.889 5.269 1.00 0.47 H new ATOM 509 N CYS A 35 7.411 12.638 3.216 1.00 0.30 N ATOM 510 CA CYS A 35 6.784 11.404 2.663 1.00 0.27 C ATOM 511 C CYS A 35 5.733 10.880 3.647 1.00 0.23 C ATOM 512 O CYS A 35 4.599 10.635 3.289 1.00 0.24 O ATOM 513 CB CYS A 35 7.861 10.338 2.437 1.00 0.27 C ATOM 514 SG CYS A 35 9.357 11.120 1.780 1.00 0.35 S ATOM 0 H CYS A 35 8.314 12.502 3.670 1.00 0.30 H new ATOM 0 HA CYS A 35 6.303 11.635 1.712 1.00 0.27 H new ATOM 0 HB2 CYS A 35 8.086 9.829 3.374 1.00 0.27 H new ATOM 0 HB3 CYS A 35 7.498 9.581 1.742 1.00 0.27 H new ATOM 519 N LYS A 36 6.105 10.709 4.887 1.00 0.25 N ATOM 520 CA LYS A 36 5.133 10.203 5.898 1.00 0.28 C ATOM 521 C LYS A 36 4.040 11.247 6.127 1.00 0.27 C ATOM 522 O LYS A 36 3.046 10.981 6.763 1.00 0.30 O ATOM 523 CB LYS A 36 5.868 9.940 7.215 1.00 0.37 C ATOM 524 CG LYS A 36 4.917 9.272 8.212 1.00 0.46 C ATOM 525 CD LYS A 36 5.721 8.701 9.384 1.00 0.58 C ATOM 526 CE LYS A 36 6.379 9.841 10.166 1.00 1.19 C ATOM 527 NZ LYS A 36 6.811 9.340 11.502 1.00 2.00 N ATOM 0 H LYS A 36 7.042 10.898 5.244 1.00 0.25 H new ATOM 0 HA LYS A 36 4.680 9.279 5.538 1.00 0.28 H new ATOM 0 HB2 LYS A 36 6.733 9.301 7.039 1.00 0.37 H new ATOM 0 HB3 LYS A 36 6.243 10.877 7.627 1.00 0.37 H new ATOM 0 HG2 LYS A 36 4.188 9.996 8.576 1.00 0.46 H new ATOM 0 HG3 LYS A 36 4.358 8.477 7.720 1.00 0.46 H new ATOM 0 HD2 LYS A 36 5.067 8.128 10.041 1.00 0.58 H new ATOM 0 HD3 LYS A 36 6.483 8.014 9.014 1.00 0.58 H new ATOM 0 HE2 LYS A 36 7.237 10.227 9.615 1.00 1.19 H new ATOM 0 HE3 LYS A 36 5.678 10.667 10.284 1.00 1.19 H new ATOM 0 HZ1 LYS A 36 7.258 10.113 12.035 1.00 2.00 H new ATOM 0 HZ2 LYS A 36 5.983 8.992 12.026 1.00 2.00 H new ATOM 0 HZ3 LYS A 36 7.493 8.565 11.378 1.00 2.00 H new ATOM 541 N MET A 37 4.214 12.432 5.613 1.00 0.27 N ATOM 542 CA MET A 37 3.176 13.483 5.809 1.00 0.30 C ATOM 543 C MET A 37 1.907 13.106 5.037 1.00 0.26 C ATOM 544 O MET A 37 0.860 13.693 5.229 1.00 0.29 O ATOM 545 CB MET A 37 3.709 14.829 5.300 1.00 0.35 C ATOM 546 CG MET A 37 4.662 15.435 6.334 1.00 1.04 C ATOM 547 SD MET A 37 3.704 16.162 7.687 1.00 1.97 S ATOM 548 CE MET A 37 5.067 17.049 8.477 1.00 2.37 C ATOM 0 H MET A 37 5.027 12.718 5.067 1.00 0.27 H new ATOM 0 HA MET A 37 2.939 13.564 6.870 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.228 14.690 4.352 1.00 0.35 H new ATOM 0 HB3 MET A 37 2.880 15.511 5.112 1.00 0.35 H new ATOM 0 HG2 MET A 37 5.332 14.667 6.721 1.00 1.04 H new ATOM 0 HG3 MET A 37 5.286 16.196 5.866 1.00 1.04 H new ATOM 0 HE1 MET A 37 4.696 17.580 9.354 1.00 2.37 H new ATOM 0 HE2 MET A 37 5.835 16.339 8.782 1.00 2.37 H new ATOM 0 HE3 MET A 37 5.492 17.764 7.773 1.00 2.37 H new ATOM 558 N ILE A 38 1.991 12.134 4.162 1.00 0.23 N ATOM 559 CA ILE A 38 0.786 11.725 3.371 1.00 0.23 C ATOM 560 C ILE A 38 0.117 10.509 4.024 1.00 0.21 C ATOM 561 O ILE A 38 -0.572 9.750 3.374 1.00 0.23 O ATOM 562 CB ILE A 38 1.213 11.373 1.933 1.00 0.28 C ATOM 563 CG1 ILE A 38 1.867 12.616 1.290 1.00 0.37 C ATOM 564 CG2 ILE A 38 -0.027 10.933 1.109 1.00 0.36 C ATOM 565 CD1 ILE A 38 2.747 12.200 0.104 1.00 0.42 C ATOM 0 H ILE A 38 2.840 11.606 3.961 1.00 0.23 H new ATOM 0 HA ILE A 38 0.074 12.550 3.349 1.00 0.23 H new ATOM 0 HB ILE A 38 1.929 10.551 1.948 1.00 0.28 H new ATOM 0 HG12 ILE A 38 1.095 13.309 0.954 1.00 0.37 H new ATOM 0 HG13 ILE A 38 2.468 13.143 2.031 1.00 0.37 H new ATOM 0 HG21 ILE A 38 0.280 10.685 0.093 1.00 0.36 H new ATOM 0 HG22 ILE A 38 -0.481 10.058 1.574 1.00 0.36 H new ATOM 0 HG23 ILE A 38 -0.752 11.746 1.080 1.00 0.36 H new ATOM 0 HD11 ILE A 38 3.202 13.086 -0.340 1.00 0.42 H new ATOM 0 HD12 ILE A 38 3.530 11.525 0.451 1.00 0.42 H new ATOM 0 HD13 ILE A 38 2.136 11.693 -0.643 1.00 0.42 H new ATOM 577 N LYS A 39 0.301 10.316 5.309 1.00 0.24 N ATOM 578 CA LYS A 39 -0.344 9.148 5.985 1.00 0.28 C ATOM 579 C LYS A 39 -1.765 9.476 6.522 1.00 0.28 C ATOM 580 O LYS A 39 -2.550 8.562 6.673 1.00 0.31 O ATOM 581 CB LYS A 39 0.560 8.607 7.118 1.00 0.35 C ATOM 582 CG LYS A 39 0.617 9.554 8.332 1.00 0.36 C ATOM 583 CD LYS A 39 1.200 8.806 9.543 1.00 0.44 C ATOM 584 CE LYS A 39 0.243 7.696 10.021 1.00 0.82 C ATOM 585 NZ LYS A 39 0.652 6.396 9.418 1.00 0.70 N ATOM 0 H LYS A 39 0.866 10.912 5.914 1.00 0.24 H new ATOM 0 HA LYS A 39 -0.466 8.372 5.229 1.00 0.28 H new ATOM 0 HB2 LYS A 39 0.191 7.633 7.439 1.00 0.35 H new ATOM 0 HB3 LYS A 39 1.568 8.455 6.732 1.00 0.35 H new ATOM 0 HG2 LYS A 39 1.231 10.424 8.099 1.00 0.36 H new ATOM 0 HG3 LYS A 39 -0.382 9.922 8.566 1.00 0.36 H new ATOM 0 HD2 LYS A 39 2.163 8.371 9.277 1.00 0.44 H new ATOM 0 HD3 LYS A 39 1.382 9.509 10.356 1.00 0.44 H new ATOM 0 HE2 LYS A 39 0.263 7.627 11.109 1.00 0.82 H new ATOM 0 HE3 LYS A 39 -0.781 7.936 9.735 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 -0.146 5.994 8.885 1.00 0.70 H new ATOM 0 HZ2 LYS A 39 1.456 6.549 8.776 1.00 0.70 H new ATOM 0 HZ3 LYS A 39 0.932 5.736 10.172 1.00 0.70 H new ATOM 599 N PRO A 40 -2.094 10.736 6.805 1.00 0.28 N ATOM 600 CA PRO A 40 -3.442 11.053 7.317 1.00 0.32 C ATOM 601 C PRO A 40 -4.466 10.855 6.192 1.00 0.29 C ATOM 602 O PRO A 40 -5.632 11.162 6.337 1.00 0.32 O ATOM 603 CB PRO A 40 -3.369 12.533 7.762 1.00 0.37 C ATOM 604 CG PRO A 40 -1.959 13.064 7.375 1.00 0.35 C ATOM 605 CD PRO A 40 -1.210 11.917 6.658 1.00 0.28 C ATOM 0 HA PRO A 40 -3.748 10.413 8.145 1.00 0.32 H new ATOM 0 HB2 PRO A 40 -4.148 13.120 7.274 1.00 0.37 H new ATOM 0 HB3 PRO A 40 -3.531 12.620 8.836 1.00 0.37 H new ATOM 0 HG2 PRO A 40 -2.043 13.934 6.723 1.00 0.35 H new ATOM 0 HG3 PRO A 40 -1.413 13.383 8.263 1.00 0.35 H new ATOM 0 HD2 PRO A 40 -1.037 12.153 5.608 1.00 0.28 H new ATOM 0 HD3 PRO A 40 -0.234 11.739 7.110 1.00 0.28 H new ATOM 613 N PHE A 41 -4.023 10.344 5.070 1.00 0.24 N ATOM 614 CA PHE A 41 -4.940 10.111 3.911 1.00 0.23 C ATOM 615 C PHE A 41 -5.032 8.610 3.642 1.00 0.20 C ATOM 616 O PHE A 41 -6.054 7.991 3.853 1.00 0.20 O ATOM 617 CB PHE A 41 -4.369 10.813 2.672 1.00 0.24 C ATOM 618 CG PHE A 41 -4.669 12.292 2.741 1.00 0.29 C ATOM 619 CD1 PHE A 41 -5.920 12.773 2.314 1.00 0.35 C ATOM 620 CD2 PHE A 41 -3.700 13.186 3.235 1.00 0.31 C ATOM 621 CE1 PHE A 41 -6.204 14.150 2.379 1.00 0.40 C ATOM 622 CE2 PHE A 41 -3.983 14.564 3.301 1.00 0.36 C ATOM 623 CZ PHE A 41 -5.235 15.046 2.873 1.00 0.39 C ATOM 0 H PHE A 41 -3.053 10.075 4.906 1.00 0.24 H new ATOM 0 HA PHE A 41 -5.931 10.507 4.135 1.00 0.23 H new ATOM 0 HB2 PHE A 41 -3.292 10.653 2.615 1.00 0.24 H new ATOM 0 HB3 PHE A 41 -4.803 10.386 1.768 1.00 0.24 H new ATOM 0 HD1 PHE A 41 -6.663 12.086 1.936 1.00 0.35 H new ATOM 0 HD2 PHE A 41 -2.740 12.815 3.563 1.00 0.31 H new ATOM 0 HE1 PHE A 41 -7.164 14.520 2.050 1.00 0.40 H new ATOM 0 HE2 PHE A 41 -3.240 15.251 3.680 1.00 0.36 H new ATOM 0 HZ PHE A 41 -5.453 16.103 2.923 1.00 0.39 H new ATOM 633 N PHE A 42 -3.967 8.025 3.171 1.00 0.18 N ATOM 634 CA PHE A 42 -3.974 6.567 2.877 1.00 0.17 C ATOM 635 C PHE A 42 -4.264 5.775 4.157 1.00 0.17 C ATOM 636 O PHE A 42 -5.246 5.067 4.254 1.00 0.17 O ATOM 637 CB PHE A 42 -2.602 6.167 2.323 1.00 0.17 C ATOM 638 CG PHE A 42 -2.516 4.665 2.188 1.00 0.17 C ATOM 639 CD1 PHE A 42 -3.051 4.029 1.053 1.00 0.19 C ATOM 640 CD2 PHE A 42 -1.897 3.901 3.198 1.00 0.21 C ATOM 641 CE1 PHE A 42 -2.968 2.630 0.926 1.00 0.21 C ATOM 642 CE2 PHE A 42 -1.816 2.502 3.071 1.00 0.23 C ATOM 643 CZ PHE A 42 -2.351 1.866 1.935 1.00 0.21 C ATOM 0 H PHE A 42 -3.085 8.499 2.976 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.750 6.346 2.144 1.00 0.17 H new ATOM 0 HB2 PHE A 42 -2.442 6.637 1.353 1.00 0.17 H new ATOM 0 HB3 PHE A 42 -1.815 6.526 2.985 1.00 0.17 H new ATOM 0 HD1 PHE A 42 -3.525 4.614 0.279 1.00 0.19 H new ATOM 0 HD2 PHE A 42 -1.485 4.389 4.069 1.00 0.21 H new ATOM 0 HE1 PHE A 42 -3.378 2.142 0.054 1.00 0.21 H new ATOM 0 HE2 PHE A 42 -1.343 1.916 3.845 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.288 0.792 1.837 1.00 0.21 H new ATOM 653 N HIS A 43 -3.406 5.881 5.134 1.00 0.20 N ATOM 654 CA HIS A 43 -3.613 5.129 6.404 1.00 0.23 C ATOM 655 C HIS A 43 -4.854 5.660 7.134 1.00 0.23 C ATOM 656 O HIS A 43 -5.272 5.116 8.136 1.00 0.26 O ATOM 657 CB HIS A 43 -2.365 5.296 7.282 1.00 0.27 C ATOM 658 CG HIS A 43 -2.619 4.762 8.668 1.00 0.31 C ATOM 659 ND1 HIS A 43 -3.244 5.308 9.761 1.00 0.37 N flip ATOM 660 CD2 HIS A 43 -2.212 3.495 9.058 1.00 0.34 C flip ATOM 661 CE1 HIS A 43 -3.227 4.397 10.814 1.00 0.42 C flip ATOM 662 NE2 HIS A 43 -2.593 3.323 10.337 1.00 0.40 N flip ATOM 0 H HIS A 43 -2.566 6.459 5.107 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.771 4.072 6.189 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -1.523 4.770 6.832 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -2.090 6.349 7.337 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -1.685 2.777 8.447 1.00 0.34 H new ATOM 0 HE1 HIS A 43 -3.638 4.530 11.804 1.00 0.42 H new ATOM 0 HE2 HIS A 43 -2.419 2.475 10.877 1.00 0.40 H new ATOM 670 N SER A 44 -5.450 6.713 6.644 1.00 0.21 N ATOM 671 CA SER A 44 -6.660 7.268 7.322 1.00 0.22 C ATOM 672 C SER A 44 -7.915 6.522 6.855 1.00 0.19 C ATOM 673 O SER A 44 -8.889 6.425 7.575 1.00 0.19 O ATOM 674 CB SER A 44 -6.797 8.754 6.982 1.00 0.26 C ATOM 675 OG SER A 44 -8.167 9.126 7.051 1.00 0.56 O ATOM 0 H SER A 44 -5.154 7.213 5.806 1.00 0.21 H new ATOM 0 HA SER A 44 -6.552 7.144 8.400 1.00 0.22 H new ATOM 0 HB2 SER A 44 -6.210 9.354 7.677 1.00 0.26 H new ATOM 0 HB3 SER A 44 -6.405 8.948 5.984 1.00 0.26 H new ATOM 0 HG SER A 44 -8.256 10.082 6.857 1.00 0.56 H new ATOM 681 N LEU A 45 -7.909 5.999 5.658 1.00 0.20 N ATOM 682 CA LEU A 45 -9.113 5.270 5.162 1.00 0.19 C ATOM 683 C LEU A 45 -9.406 4.078 6.074 1.00 0.20 C ATOM 684 O LEU A 45 -10.443 3.455 5.978 1.00 0.23 O ATOM 685 CB LEU A 45 -8.866 4.769 3.735 1.00 0.22 C ATOM 686 CG LEU A 45 -8.251 5.886 2.886 1.00 0.28 C ATOM 687 CD1 LEU A 45 -8.223 5.449 1.419 1.00 0.32 C ATOM 688 CD2 LEU A 45 -9.087 7.164 3.022 1.00 0.37 C ATOM 0 H LEU A 45 -7.127 6.044 5.005 1.00 0.20 H new ATOM 0 HA LEU A 45 -9.966 5.949 5.165 1.00 0.19 H new ATOM 0 HB2 LEU A 45 -8.200 3.907 3.754 1.00 0.22 H new ATOM 0 HB3 LEU A 45 -9.804 4.437 3.290 1.00 0.22 H new ATOM 0 HG LEU A 45 -7.236 6.084 3.231 1.00 0.28 H new ATOM 0 HD11 LEU A 45 -7.786 6.242 0.812 1.00 0.32 H new ATOM 0 HD12 LEU A 45 -7.624 4.544 1.320 1.00 0.32 H new ATOM 0 HD13 LEU A 45 -9.239 5.250 1.079 1.00 0.32 H new ATOM 0 HD21 LEU A 45 -8.644 7.955 2.416 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -10.104 6.971 2.681 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -9.108 7.476 4.066 1.00 0.37 H new ATOM 700 N SER A 46 -8.505 3.755 6.959 1.00 0.22 N ATOM 701 CA SER A 46 -8.747 2.604 7.869 1.00 0.27 C ATOM 702 C SER A 46 -10.040 2.843 8.655 1.00 0.27 C ATOM 703 O SER A 46 -10.802 1.933 8.908 1.00 0.32 O ATOM 704 CB SER A 46 -7.576 2.469 8.843 1.00 0.32 C ATOM 705 OG SER A 46 -6.374 2.281 8.108 1.00 0.41 O ATOM 0 H SER A 46 -7.615 4.237 7.091 1.00 0.22 H new ATOM 0 HA SER A 46 -8.839 1.689 7.284 1.00 0.27 H new ATOM 0 HB2 SER A 46 -7.500 3.361 9.465 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.741 1.626 9.514 1.00 0.32 H new ATOM 0 HG SER A 46 -5.900 3.135 8.033 1.00 0.41 H new ATOM 711 N GLU A 47 -10.287 4.067 9.047 1.00 0.27 N ATOM 712 CA GLU A 47 -11.526 4.372 9.824 1.00 0.32 C ATOM 713 C GLU A 47 -12.676 4.712 8.872 1.00 0.29 C ATOM 714 O GLU A 47 -13.835 4.613 9.226 1.00 0.33 O ATOM 715 CB GLU A 47 -11.263 5.565 10.745 1.00 0.39 C ATOM 716 CG GLU A 47 -10.033 5.282 11.609 1.00 0.50 C ATOM 717 CD GLU A 47 -10.311 4.079 12.514 1.00 1.42 C ATOM 718 OE1 GLU A 47 -10.992 4.259 13.512 1.00 2.22 O ATOM 719 OE2 GLU A 47 -9.839 3.001 12.195 1.00 2.04 O ATOM 0 H GLU A 47 -9.684 4.869 8.862 1.00 0.27 H new ATOM 0 HA GLU A 47 -11.800 3.498 10.415 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -11.105 6.467 10.153 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -12.131 5.747 11.378 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -9.169 5.082 10.976 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -9.790 6.156 12.213 1.00 0.50 H new ATOM 726 N LYS A 48 -12.373 5.124 7.670 1.00 0.26 N ATOM 727 CA LYS A 48 -13.459 5.479 6.706 1.00 0.27 C ATOM 728 C LYS A 48 -13.955 4.219 5.991 1.00 0.24 C ATOM 729 O LYS A 48 -15.131 3.917 5.997 1.00 0.29 O ATOM 730 CB LYS A 48 -12.914 6.475 5.673 1.00 0.30 C ATOM 731 CG LYS A 48 -14.080 7.162 4.932 1.00 0.37 C ATOM 732 CD LYS A 48 -14.569 8.393 5.722 1.00 1.00 C ATOM 733 CE LYS A 48 -13.716 9.621 5.374 1.00 1.39 C ATOM 734 NZ LYS A 48 -13.822 10.625 6.471 1.00 2.11 N ATOM 0 H LYS A 48 -11.423 5.230 7.313 1.00 0.26 H new ATOM 0 HA LYS A 48 -14.290 5.930 7.249 1.00 0.27 H new ATOM 0 HB2 LYS A 48 -12.297 7.224 6.169 1.00 0.30 H new ATOM 0 HB3 LYS A 48 -12.274 5.957 4.959 1.00 0.30 H new ATOM 0 HG2 LYS A 48 -13.758 7.466 3.936 1.00 0.37 H new ATOM 0 HG3 LYS A 48 -14.901 6.457 4.800 1.00 0.37 H new ATOM 0 HD2 LYS A 48 -15.615 8.591 5.490 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -14.512 8.193 6.792 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -12.676 9.327 5.234 1.00 1.39 H new ATOM 0 HE3 LYS A 48 -14.053 10.057 4.433 1.00 1.39 H new ATOM 0 HZ1 LYS A 48 -13.245 11.458 6.237 1.00 2.11 H new ATOM 0 HZ2 LYS A 48 -14.815 10.913 6.583 1.00 2.11 H new ATOM 0 HZ3 LYS A 48 -13.480 10.206 7.359 1.00 2.11 H new ATOM 748 N TYR A 49 -13.063 3.484 5.372 1.00 0.27 N ATOM 749 CA TYR A 49 -13.467 2.237 4.645 1.00 0.26 C ATOM 750 C TYR A 49 -12.946 1.017 5.407 1.00 0.26 C ATOM 751 O TYR A 49 -11.853 0.544 5.169 1.00 0.27 O ATOM 752 CB TYR A 49 -12.857 2.255 3.243 1.00 0.29 C ATOM 753 CG TYR A 49 -13.528 3.325 2.416 1.00 0.30 C ATOM 754 CD1 TYR A 49 -14.705 3.028 1.704 1.00 0.38 C ATOM 755 CD2 TYR A 49 -12.978 4.620 2.356 1.00 0.32 C ATOM 756 CE1 TYR A 49 -15.332 4.024 0.933 1.00 0.43 C ATOM 757 CE2 TYR A 49 -13.605 5.618 1.585 1.00 0.36 C ATOM 758 CZ TYR A 49 -14.783 5.320 0.873 1.00 0.39 C ATOM 759 OH TYR A 49 -15.397 6.297 0.116 1.00 0.45 O ATOM 0 H TYR A 49 -12.066 3.695 5.338 1.00 0.27 H new ATOM 0 HA TYR A 49 -14.554 2.187 4.574 1.00 0.26 H new ATOM 0 HB2 TYR A 49 -11.785 2.446 3.303 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -12.981 1.282 2.768 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -15.127 2.035 1.749 1.00 0.38 H new ATOM 0 HD2 TYR A 49 -12.074 4.848 2.902 1.00 0.32 H new ATOM 0 HE1 TYR A 49 -16.235 3.795 0.387 1.00 0.43 H new ATOM 0 HE2 TYR A 49 -13.183 6.611 1.540 1.00 0.36 H new ATOM 0 HH TYR A 49 -14.889 7.132 0.185 1.00 0.45 H new ATOM 769 N SER A 50 -13.720 0.511 6.329 1.00 0.29 N ATOM 770 CA SER A 50 -13.274 -0.674 7.119 1.00 0.32 C ATOM 771 C SER A 50 -13.293 -1.933 6.244 1.00 0.30 C ATOM 772 O SER A 50 -12.841 -2.984 6.654 1.00 0.39 O ATOM 773 CB SER A 50 -14.216 -0.871 8.307 1.00 0.39 C ATOM 774 OG SER A 50 -15.519 -1.176 7.827 1.00 0.49 O ATOM 0 H SER A 50 -14.645 0.868 6.570 1.00 0.29 H new ATOM 0 HA SER A 50 -12.257 -0.503 7.473 1.00 0.32 H new ATOM 0 HB2 SER A 50 -13.853 -1.677 8.944 1.00 0.39 H new ATOM 0 HB3 SER A 50 -14.243 0.031 8.918 1.00 0.39 H new ATOM 0 HG SER A 50 -16.125 -1.305 8.586 1.00 0.49 H new ATOM 780 N ASN A 51 -13.817 -1.841 5.048 1.00 0.26 N ATOM 781 CA ASN A 51 -13.873 -3.042 4.151 1.00 0.27 C ATOM 782 C ASN A 51 -12.734 -2.987 3.130 1.00 0.25 C ATOM 783 O ASN A 51 -12.864 -3.463 2.020 1.00 0.38 O ATOM 784 CB ASN A 51 -15.214 -3.054 3.410 1.00 0.31 C ATOM 785 CG ASN A 51 -15.447 -4.436 2.794 1.00 0.36 C ATOM 786 OD1 ASN A 51 -15.743 -5.384 3.492 1.00 0.60 O ATOM 787 ND2 ASN A 51 -15.325 -4.590 1.503 1.00 0.55 N ATOM 0 H ASN A 51 -14.209 -0.987 4.651 1.00 0.26 H new ATOM 0 HA ASN A 51 -13.771 -3.945 4.753 1.00 0.27 H new ATOM 0 HB2 ASN A 51 -16.023 -2.810 4.098 1.00 0.31 H new ATOM 0 HB3 ASN A 51 -15.217 -2.292 2.631 1.00 0.31 H new ATOM 0 HD21 ASN A 51 -15.478 -5.506 1.082 1.00 0.55 H new ATOM 0 HD22 ASN A 51 -15.076 -3.794 0.916 1.00 0.55 H new ATOM 794 N VAL A 52 -11.616 -2.412 3.498 1.00 0.23 N ATOM 795 CA VAL A 52 -10.453 -2.323 2.557 1.00 0.23 C ATOM 796 C VAL A 52 -9.179 -2.754 3.286 1.00 0.22 C ATOM 797 O VAL A 52 -8.985 -2.451 4.446 1.00 0.27 O ATOM 798 CB VAL A 52 -10.304 -0.880 2.070 1.00 0.23 C ATOM 799 CG1 VAL A 52 -9.064 -0.764 1.179 1.00 0.27 C ATOM 800 CG2 VAL A 52 -11.542 -0.487 1.264 1.00 0.25 C ATOM 0 H VAL A 52 -11.457 -1.997 4.416 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.621 -2.978 1.702 1.00 0.23 H new ATOM 0 HB VAL A 52 -10.198 -0.217 2.929 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -8.959 0.264 0.833 1.00 0.27 H new ATOM 0 HG12 VAL A 52 -8.179 -1.047 1.749 1.00 0.27 H new ATOM 0 HG13 VAL A 52 -9.170 -1.427 0.320 1.00 0.27 H new ATOM 0 HG21 VAL A 52 -11.438 0.541 0.916 1.00 0.25 H new ATOM 0 HG22 VAL A 52 -11.644 -1.152 0.406 1.00 0.25 H new ATOM 0 HG23 VAL A 52 -12.428 -0.569 1.894 1.00 0.25 H new ATOM 810 N ILE A 53 -8.308 -3.463 2.616 1.00 0.17 N ATOM 811 CA ILE A 53 -7.042 -3.924 3.269 1.00 0.18 C ATOM 812 C ILE A 53 -5.906 -2.971 2.885 1.00 0.16 C ATOM 813 O ILE A 53 -5.605 -2.792 1.722 1.00 0.16 O ATOM 814 CB ILE A 53 -6.706 -5.340 2.777 1.00 0.20 C ATOM 815 CG1 ILE A 53 -7.980 -6.206 2.770 1.00 0.22 C ATOM 816 CG2 ILE A 53 -5.624 -5.975 3.674 1.00 0.24 C ATOM 817 CD1 ILE A 53 -8.696 -6.135 4.123 1.00 0.24 C ATOM 0 H ILE A 53 -8.417 -3.744 1.642 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.165 -3.933 4.352 1.00 0.18 H new ATOM 0 HB ILE A 53 -6.316 -5.281 1.761 1.00 0.20 H new ATOM 0 HG12 ILE A 53 -8.651 -5.867 1.981 1.00 0.22 H new ATOM 0 HG13 ILE A 53 -7.720 -7.240 2.545 1.00 0.22 H new ATOM 0 HG21 ILE A 53 -5.396 -6.978 3.314 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.722 -5.364 3.643 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -5.989 -6.032 4.699 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -9.592 -6.754 4.093 1.00 0.24 H new ATOM 0 HD12 ILE A 53 -8.030 -6.497 4.906 1.00 0.24 H new ATOM 0 HD13 ILE A 53 -8.975 -5.103 4.333 1.00 0.24 H new ATOM 829 N PHE A 54 -5.274 -2.356 3.859 1.00 0.16 N ATOM 830 CA PHE A 54 -4.152 -1.404 3.567 1.00 0.15 C ATOM 831 C PHE A 54 -2.847 -1.951 4.144 1.00 0.15 C ATOM 832 O PHE A 54 -2.765 -2.288 5.308 1.00 0.18 O ATOM 833 CB PHE A 54 -4.443 -0.052 4.222 1.00 0.17 C ATOM 834 CG PHE A 54 -5.769 0.482 3.736 1.00 0.17 C ATOM 835 CD1 PHE A 54 -5.854 1.121 2.483 1.00 0.18 C ATOM 836 CD2 PHE A 54 -6.918 0.350 4.539 1.00 0.17 C ATOM 837 CE1 PHE A 54 -7.089 1.626 2.034 1.00 0.19 C ATOM 838 CE2 PHE A 54 -8.150 0.856 4.090 1.00 0.18 C ATOM 839 CZ PHE A 54 -8.238 1.494 2.837 1.00 0.19 C ATOM 0 H PHE A 54 -5.489 -2.473 4.849 1.00 0.16 H new ATOM 0 HA PHE A 54 -4.061 -1.286 2.487 1.00 0.15 H new ATOM 0 HB2 PHE A 54 -4.461 -0.160 5.306 1.00 0.17 H new ATOM 0 HB3 PHE A 54 -3.648 0.655 3.985 1.00 0.17 H new ATOM 0 HD1 PHE A 54 -4.972 1.223 1.868 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -6.853 -0.140 5.499 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.155 2.115 1.073 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -9.031 0.756 4.707 1.00 0.18 H new ATOM 0 HZ PHE A 54 -9.186 1.881 2.493 1.00 0.19 H new ATOM 849 N LEU A 55 -1.820 -2.025 3.335 1.00 0.14 N ATOM 850 CA LEU A 55 -0.496 -2.531 3.818 1.00 0.15 C ATOM 851 C LEU A 55 0.476 -1.351 3.901 1.00 0.16 C ATOM 852 O LEU A 55 0.297 -0.344 3.244 1.00 0.17 O ATOM 853 CB LEU A 55 0.051 -3.572 2.828 1.00 0.17 C ATOM 854 CG LEU A 55 -0.602 -4.937 3.079 1.00 0.19 C ATOM 855 CD1 LEU A 55 -2.106 -4.874 2.776 1.00 0.22 C ATOM 856 CD2 LEU A 55 0.061 -5.979 2.175 1.00 0.23 C ATOM 0 H LEU A 55 -1.841 -1.754 2.352 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.610 -2.994 4.798 1.00 0.15 H new ATOM 0 HB2 LEU A 55 -0.145 -3.250 1.805 1.00 0.17 H new ATOM 0 HB3 LEU A 55 1.133 -3.653 2.935 1.00 0.17 H new ATOM 0 HG LEU A 55 -0.469 -5.212 4.125 1.00 0.19 H new ATOM 0 HD11 LEU A 55 -2.555 -5.850 2.959 1.00 0.22 H new ATOM 0 HD12 LEU A 55 -2.576 -4.132 3.421 1.00 0.22 H new ATOM 0 HD13 LEU A 55 -2.256 -4.595 1.733 1.00 0.22 H new ATOM 0 HD21 LEU A 55 -0.397 -6.953 2.346 1.00 0.23 H new ATOM 0 HD22 LEU A 55 -0.073 -5.694 1.132 1.00 0.23 H new ATOM 0 HD23 LEU A 55 1.126 -6.033 2.402 1.00 0.23 H new ATOM 868 N GLU A 56 1.502 -1.469 4.703 1.00 0.18 N ATOM 869 CA GLU A 56 2.499 -0.361 4.840 1.00 0.20 C ATOM 870 C GLU A 56 3.907 -0.950 4.767 1.00 0.21 C ATOM 871 O GLU A 56 4.368 -1.599 5.685 1.00 0.35 O ATOM 872 CB GLU A 56 2.301 0.335 6.188 1.00 0.23 C ATOM 873 CG GLU A 56 3.159 1.599 6.241 1.00 0.28 C ATOM 874 CD GLU A 56 2.998 2.268 7.608 1.00 0.42 C ATOM 875 OE1 GLU A 56 1.883 2.302 8.100 1.00 1.25 O ATOM 876 OE2 GLU A 56 3.993 2.735 8.138 1.00 1.17 O ATOM 0 H GLU A 56 1.695 -2.292 5.274 1.00 0.18 H new ATOM 0 HA GLU A 56 2.363 0.364 4.038 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.250 0.590 6.327 1.00 0.23 H new ATOM 0 HB3 GLU A 56 2.576 -0.338 7.000 1.00 0.23 H new ATOM 0 HG2 GLU A 56 4.206 1.348 6.068 1.00 0.28 H new ATOM 0 HG3 GLU A 56 2.861 2.287 5.450 1.00 0.28 H new ATOM 883 N VAL A 57 4.591 -0.734 3.671 1.00 0.16 N ATOM 884 CA VAL A 57 5.974 -1.283 3.511 1.00 0.17 C ATOM 885 C VAL A 57 6.998 -0.154 3.647 1.00 0.15 C ATOM 886 O VAL A 57 6.865 0.893 3.045 1.00 0.16 O ATOM 887 CB VAL A 57 6.102 -1.909 2.122 1.00 0.20 C ATOM 888 CG1 VAL A 57 7.416 -2.687 2.030 1.00 0.26 C ATOM 889 CG2 VAL A 57 4.926 -2.859 1.880 1.00 0.23 C ATOM 0 H VAL A 57 4.248 -0.197 2.874 1.00 0.16 H new ATOM 0 HA VAL A 57 6.159 -2.033 4.280 1.00 0.17 H new ATOM 0 HB VAL A 57 6.094 -1.122 1.367 1.00 0.20 H new ATOM 0 HG11 VAL A 57 7.506 -3.133 1.039 1.00 0.26 H new ATOM 0 HG12 VAL A 57 8.253 -2.010 2.201 1.00 0.26 H new ATOM 0 HG13 VAL A 57 7.427 -3.474 2.784 1.00 0.26 H new ATOM 0 HG21 VAL A 57 5.017 -3.306 0.890 1.00 0.23 H new ATOM 0 HG22 VAL A 57 4.932 -3.645 2.635 1.00 0.23 H new ATOM 0 HG23 VAL A 57 3.990 -2.303 1.943 1.00 0.23 H new ATOM 899 N ASP A 58 8.023 -0.364 4.431 1.00 0.16 N ATOM 900 CA ASP A 58 9.069 0.691 4.610 1.00 0.17 C ATOM 901 C ASP A 58 10.244 0.391 3.675 1.00 0.16 C ATOM 902 O ASP A 58 10.907 -0.620 3.801 1.00 0.17 O ATOM 903 CB ASP A 58 9.550 0.680 6.064 1.00 0.20 C ATOM 904 CG ASP A 58 10.298 1.979 6.373 1.00 0.24 C ATOM 905 OD1 ASP A 58 9.933 2.998 5.810 1.00 1.10 O ATOM 906 OD2 ASP A 58 11.220 1.933 7.169 1.00 1.11 O ATOM 0 H ASP A 58 8.183 -1.223 4.957 1.00 0.16 H new ATOM 0 HA ASP A 58 8.656 1.672 4.373 1.00 0.17 H new ATOM 0 HB2 ASP A 58 8.700 0.570 6.737 1.00 0.20 H new ATOM 0 HB3 ASP A 58 10.203 -0.176 6.234 1.00 0.20 H new ATOM 911 N VAL A 59 10.503 1.255 2.731 1.00 0.16 N ATOM 912 CA VAL A 59 11.628 1.009 1.781 1.00 0.17 C ATOM 913 C VAL A 59 12.967 0.990 2.531 1.00 0.19 C ATOM 914 O VAL A 59 14.018 0.918 1.925 1.00 0.22 O ATOM 915 CB VAL A 59 11.652 2.112 0.721 1.00 0.18 C ATOM 916 CG1 VAL A 59 10.408 2.000 -0.160 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.668 3.480 1.405 1.00 0.22 C ATOM 0 H VAL A 59 9.985 2.120 2.576 1.00 0.16 H new ATOM 0 HA VAL A 59 11.479 0.041 1.302 1.00 0.17 H new ATOM 0 HB VAL A 59 12.545 2.003 0.106 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.425 2.786 -0.915 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.395 1.026 -0.650 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.515 2.108 0.456 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.685 4.265 0.649 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.775 3.589 2.021 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.555 3.562 2.033 1.00 0.22 H new ATOM 927 N ASP A 60 12.939 1.050 3.842 1.00 0.19 N ATOM 928 CA ASP A 60 14.211 1.034 4.640 1.00 0.21 C ATOM 929 C ASP A 60 14.288 -0.268 5.441 1.00 0.22 C ATOM 930 O ASP A 60 15.335 -0.870 5.565 1.00 0.25 O ATOM 931 CB ASP A 60 14.226 2.229 5.605 1.00 0.24 C ATOM 932 CG ASP A 60 14.592 3.502 4.839 1.00 0.26 C ATOM 933 OD1 ASP A 60 14.196 3.615 3.691 1.00 1.04 O ATOM 934 OD2 ASP A 60 15.267 4.340 5.412 1.00 1.02 O ATOM 0 H ASP A 60 12.086 1.110 4.398 1.00 0.19 H new ATOM 0 HA ASP A 60 15.065 1.101 3.967 1.00 0.21 H new ATOM 0 HB2 ASP A 60 13.249 2.343 6.074 1.00 0.24 H new ATOM 0 HB3 ASP A 60 14.945 2.054 6.405 1.00 0.24 H new ATOM 939 N ASP A 61 13.186 -0.709 5.985 1.00 0.22 N ATOM 940 CA ASP A 61 13.195 -1.974 6.775 1.00 0.25 C ATOM 941 C ASP A 61 12.987 -3.161 5.834 1.00 0.21 C ATOM 942 O ASP A 61 13.651 -4.173 5.939 1.00 0.22 O ATOM 943 CB ASP A 61 12.065 -1.937 7.805 1.00 0.31 C ATOM 944 CG ASP A 61 12.231 -3.095 8.790 1.00 0.37 C ATOM 945 OD1 ASP A 61 13.348 -3.316 9.231 1.00 1.11 O ATOM 946 OD2 ASP A 61 11.241 -3.741 9.087 1.00 1.17 O ATOM 0 H ASP A 61 12.279 -0.248 5.916 1.00 0.22 H new ATOM 0 HA ASP A 61 14.152 -2.078 7.287 1.00 0.25 H new ATOM 0 HB2 ASP A 61 12.077 -0.987 8.339 1.00 0.31 H new ATOM 0 HB3 ASP A 61 11.100 -2.008 7.304 1.00 0.31 H new ATOM 951 N ALA A 62 12.068 -3.042 4.909 1.00 0.20 N ATOM 952 CA ALA A 62 11.803 -4.158 3.947 1.00 0.19 C ATOM 953 C ALA A 62 12.454 -3.832 2.601 1.00 0.19 C ATOM 954 O ALA A 62 11.816 -3.861 1.568 1.00 0.18 O ATOM 955 CB ALA A 62 10.292 -4.312 3.757 1.00 0.23 C ATOM 0 H ALA A 62 11.486 -2.215 4.777 1.00 0.20 H new ATOM 0 HA ALA A 62 12.219 -5.086 4.338 1.00 0.19 H new ATOM 0 HB1 ALA A 62 10.094 -5.124 3.057 1.00 0.23 H new ATOM 0 HB2 ALA A 62 9.826 -4.538 4.716 1.00 0.23 H new ATOM 0 HB3 ALA A 62 9.878 -3.384 3.362 1.00 0.23 H new ATOM 961 N GLN A 63 13.721 -3.520 2.605 1.00 0.23 N ATOM 962 CA GLN A 63 14.414 -3.191 1.327 1.00 0.25 C ATOM 963 C GLN A 63 14.285 -4.368 0.359 1.00 0.23 C ATOM 964 O GLN A 63 14.542 -4.242 -0.822 1.00 0.24 O ATOM 965 CB GLN A 63 15.894 -2.919 1.605 1.00 0.31 C ATOM 966 CG GLN A 63 16.038 -1.586 2.343 1.00 1.06 C ATOM 967 CD GLN A 63 17.517 -1.313 2.620 1.00 1.56 C ATOM 968 OE1 GLN A 63 18.200 -2.133 3.202 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.046 -0.186 2.227 1.00 2.19 N ATOM 0 H GLN A 63 14.307 -3.479 3.439 1.00 0.23 H new ATOM 0 HA GLN A 63 13.958 -2.305 0.884 1.00 0.25 H new ATOM 0 HB2 GLN A 63 16.317 -3.726 2.204 1.00 0.31 H new ATOM 0 HB3 GLN A 63 16.452 -2.891 0.669 1.00 0.31 H new ATOM 0 HG2 GLN A 63 15.614 -0.779 1.745 1.00 1.06 H new ATOM 0 HG3 GLN A 63 15.481 -1.615 3.279 1.00 1.06 H new ATOM 0 HE21 GLN A 63 17.474 0.503 1.739 1.00 2.19 H new ATOM 0 HE22 GLN A 63 19.031 0.006 2.408 1.00 2.19 H new ATOM 978 N ASP A 64 13.888 -5.511 0.847 1.00 0.22 N ATOM 979 CA ASP A 64 13.742 -6.692 -0.050 1.00 0.23 C ATOM 980 C ASP A 64 12.501 -6.510 -0.924 1.00 0.22 C ATOM 981 O ASP A 64 12.513 -6.797 -2.105 1.00 0.25 O ATOM 982 CB ASP A 64 13.594 -7.962 0.793 1.00 0.25 C ATOM 983 CG ASP A 64 12.519 -7.754 1.861 1.00 0.22 C ATOM 984 OD1 ASP A 64 12.123 -6.618 2.065 1.00 1.08 O ATOM 985 OD2 ASP A 64 12.110 -8.735 2.461 1.00 1.10 O ATOM 0 H ASP A 64 13.659 -5.678 1.827 1.00 0.22 H new ATOM 0 HA ASP A 64 14.625 -6.782 -0.683 1.00 0.23 H new ATOM 0 HB2 ASP A 64 13.327 -8.804 0.154 1.00 0.25 H new ATOM 0 HB3 ASP A 64 14.545 -8.209 1.265 1.00 0.25 H new ATOM 990 N VAL A 65 11.430 -6.026 -0.356 1.00 0.22 N ATOM 991 CA VAL A 65 10.193 -5.818 -1.158 1.00 0.23 C ATOM 992 C VAL A 65 10.371 -4.584 -2.044 1.00 0.23 C ATOM 993 O VAL A 65 9.792 -4.480 -3.107 1.00 0.27 O ATOM 994 CB VAL A 65 9.006 -5.606 -0.216 1.00 0.25 C ATOM 995 CG1 VAL A 65 7.721 -5.463 -1.034 1.00 0.29 C ATOM 996 CG2 VAL A 65 8.879 -6.810 0.720 1.00 0.30 C ATOM 0 H VAL A 65 11.359 -5.766 0.628 1.00 0.22 H new ATOM 0 HA VAL A 65 10.007 -6.692 -1.782 1.00 0.23 H new ATOM 0 HB VAL A 65 9.166 -4.701 0.370 1.00 0.25 H new ATOM 0 HG11 VAL A 65 6.877 -5.312 -0.362 1.00 0.29 H new ATOM 0 HG12 VAL A 65 7.809 -4.607 -1.703 1.00 0.29 H new ATOM 0 HG13 VAL A 65 7.561 -6.368 -1.621 1.00 0.29 H new ATOM 0 HG21 VAL A 65 8.034 -6.661 1.392 1.00 0.30 H new ATOM 0 HG22 VAL A 65 8.719 -7.713 0.131 1.00 0.30 H new ATOM 0 HG23 VAL A 65 9.793 -6.915 1.304 1.00 0.30 H new ATOM 1006 N ALA A 66 11.173 -3.648 -1.614 1.00 0.22 N ATOM 1007 CA ALA A 66 11.394 -2.421 -2.430 1.00 0.26 C ATOM 1008 C ALA A 66 12.137 -2.793 -3.715 1.00 0.28 C ATOM 1009 O ALA A 66 11.758 -2.398 -4.799 1.00 0.32 O ATOM 1010 CB ALA A 66 12.229 -1.420 -1.629 1.00 0.30 C ATOM 0 H ALA A 66 11.685 -3.680 -0.732 1.00 0.22 H new ATOM 0 HA ALA A 66 10.433 -1.972 -2.682 1.00 0.26 H new ATOM 0 HB1 ALA A 66 12.391 -0.522 -2.225 1.00 0.30 H new ATOM 0 HB2 ALA A 66 11.701 -1.157 -0.713 1.00 0.30 H new ATOM 0 HB3 ALA A 66 13.191 -1.867 -1.378 1.00 0.30 H new ATOM 1016 N SER A 67 13.194 -3.549 -3.600 1.00 0.32 N ATOM 1017 CA SER A 67 13.962 -3.947 -4.813 1.00 0.40 C ATOM 1018 C SER A 67 13.135 -4.933 -5.641 1.00 0.41 C ATOM 1019 O SER A 67 13.148 -4.902 -6.856 1.00 0.46 O ATOM 1020 CB SER A 67 15.273 -4.611 -4.391 1.00 0.47 C ATOM 1021 OG SER A 67 15.993 -5.009 -5.551 1.00 1.35 O ATOM 0 H SER A 67 13.559 -3.908 -2.718 1.00 0.32 H new ATOM 0 HA SER A 67 14.178 -3.062 -5.412 1.00 0.40 H new ATOM 0 HB2 SER A 67 15.870 -3.918 -3.798 1.00 0.47 H new ATOM 0 HB3 SER A 67 15.069 -5.477 -3.761 1.00 0.47 H new ATOM 0 HG SER A 67 16.835 -5.434 -5.284 1.00 1.35 H new ATOM 1027 N GLU A 68 12.417 -5.809 -4.993 1.00 0.40 N ATOM 1028 CA GLU A 68 11.592 -6.798 -5.743 1.00 0.46 C ATOM 1029 C GLU A 68 10.532 -6.058 -6.565 1.00 0.46 C ATOM 1030 O GLU A 68 10.368 -6.299 -7.744 1.00 0.54 O ATOM 1031 CB GLU A 68 10.908 -7.745 -4.749 1.00 0.48 C ATOM 1032 CG GLU A 68 10.431 -9.010 -5.474 1.00 0.60 C ATOM 1033 CD GLU A 68 9.305 -8.651 -6.445 1.00 1.52 C ATOM 1034 OE1 GLU A 68 8.360 -8.010 -6.016 1.00 2.32 O ATOM 1035 OE2 GLU A 68 9.407 -9.024 -7.602 1.00 2.22 O ATOM 0 H GLU A 68 12.366 -5.883 -3.977 1.00 0.40 H new ATOM 0 HA GLU A 68 12.229 -7.375 -6.413 1.00 0.46 H new ATOM 0 HB2 GLU A 68 11.602 -8.012 -3.952 1.00 0.48 H new ATOM 0 HB3 GLU A 68 10.062 -7.244 -4.280 1.00 0.48 H new ATOM 0 HG2 GLU A 68 11.260 -9.466 -6.015 1.00 0.60 H new ATOM 0 HG3 GLU A 68 10.080 -9.746 -4.750 1.00 0.60 H new ATOM 1042 N ALA A 69 9.810 -5.161 -5.951 1.00 0.40 N ATOM 1043 CA ALA A 69 8.761 -4.410 -6.697 1.00 0.44 C ATOM 1044 C ALA A 69 9.420 -3.348 -7.583 1.00 0.44 C ATOM 1045 O ALA A 69 8.755 -2.528 -8.185 1.00 0.52 O ATOM 1046 CB ALA A 69 7.815 -3.734 -5.701 1.00 0.43 C ATOM 0 H ALA A 69 9.901 -4.916 -4.965 1.00 0.40 H new ATOM 0 HA ALA A 69 8.196 -5.100 -7.324 1.00 0.44 H new ATOM 0 HB1 ALA A 69 7.047 -3.184 -6.245 1.00 0.43 H new ATOM 0 HB2 ALA A 69 7.344 -4.492 -5.075 1.00 0.43 H new ATOM 0 HB3 ALA A 69 8.380 -3.044 -5.074 1.00 0.43 H new ATOM 1052 N GLU A 70 10.723 -3.356 -7.670 1.00 0.42 N ATOM 1053 CA GLU A 70 11.422 -2.348 -8.518 1.00 0.47 C ATOM 1054 C GLU A 70 10.929 -0.944 -8.158 1.00 0.41 C ATOM 1055 O GLU A 70 10.662 -0.130 -9.021 1.00 0.46 O ATOM 1056 CB GLU A 70 11.130 -2.628 -9.997 1.00 0.62 C ATOM 1057 CG GLU A 70 11.973 -3.814 -10.476 1.00 1.24 C ATOM 1058 CD GLU A 70 11.532 -5.083 -9.747 1.00 1.60 C ATOM 1059 OE1 GLU A 70 10.419 -5.522 -9.984 1.00 2.17 O ATOM 1060 OE2 GLU A 70 12.316 -5.596 -8.966 1.00 2.15 O ATOM 0 H GLU A 70 11.334 -4.017 -7.190 1.00 0.42 H new ATOM 0 HA GLU A 70 12.496 -2.412 -8.342 1.00 0.47 H new ATOM 0 HB2 GLU A 70 10.070 -2.844 -10.133 1.00 0.62 H new ATOM 0 HB3 GLU A 70 11.355 -1.745 -10.595 1.00 0.62 H new ATOM 0 HG2 GLU A 70 11.860 -3.943 -11.552 1.00 1.24 H new ATOM 0 HG3 GLU A 70 13.029 -3.622 -10.287 1.00 1.24 H new ATOM 1067 N VAL A 71 10.805 -0.650 -6.892 1.00 0.37 N ATOM 1068 CA VAL A 71 10.330 0.705 -6.480 1.00 0.36 C ATOM 1069 C VAL A 71 11.521 1.664 -6.420 1.00 0.34 C ATOM 1070 O VAL A 71 12.381 1.545 -5.571 1.00 0.48 O ATOM 1071 CB VAL A 71 9.677 0.615 -5.099 1.00 0.49 C ATOM 1072 CG1 VAL A 71 9.321 2.021 -4.608 1.00 0.52 C ATOM 1073 CG2 VAL A 71 8.402 -0.229 -5.193 1.00 0.65 C ATOM 0 H VAL A 71 11.012 -1.289 -6.124 1.00 0.37 H new ATOM 0 HA VAL A 71 9.603 1.074 -7.203 1.00 0.36 H new ATOM 0 HB VAL A 71 10.372 0.151 -4.399 1.00 0.49 H new ATOM 0 HG11 VAL A 71 8.856 1.956 -3.624 1.00 0.52 H new ATOM 0 HG12 VAL A 71 10.227 2.624 -4.542 1.00 0.52 H new ATOM 0 HG13 VAL A 71 8.626 2.486 -5.308 1.00 0.52 H new ATOM 0 HG21 VAL A 71 7.936 -0.294 -4.210 1.00 0.65 H new ATOM 0 HG22 VAL A 71 7.709 0.236 -5.894 1.00 0.65 H new ATOM 0 HG23 VAL A 71 8.653 -1.230 -5.542 1.00 0.65 H new ATOM 1083 N LYS A 72 11.575 2.614 -7.322 1.00 0.33 N ATOM 1084 CA LYS A 72 12.706 3.598 -7.339 1.00 0.44 C ATOM 1085 C LYS A 72 12.142 5.021 -7.334 1.00 0.39 C ATOM 1086 O LYS A 72 12.827 5.970 -7.663 1.00 0.42 O ATOM 1087 CB LYS A 72 13.537 3.388 -8.606 1.00 0.61 C ATOM 1088 CG LYS A 72 14.179 1.997 -8.575 1.00 0.70 C ATOM 1089 CD LYS A 72 15.297 1.921 -9.620 1.00 1.34 C ATOM 1090 CE LYS A 72 14.713 2.110 -11.023 1.00 1.77 C ATOM 1091 NZ LYS A 72 14.486 3.561 -11.275 1.00 2.43 N ATOM 0 H LYS A 72 10.878 2.752 -8.054 1.00 0.33 H new ATOM 0 HA LYS A 72 13.333 3.451 -6.459 1.00 0.44 H new ATOM 0 HB2 LYS A 72 12.905 3.488 -9.488 1.00 0.61 H new ATOM 0 HB3 LYS A 72 14.309 4.154 -8.678 1.00 0.61 H new ATOM 0 HG2 LYS A 72 14.581 1.794 -7.583 1.00 0.70 H new ATOM 0 HG3 LYS A 72 13.427 1.234 -8.777 1.00 0.70 H new ATOM 0 HD2 LYS A 72 16.045 2.689 -9.422 1.00 1.34 H new ATOM 0 HD3 LYS A 72 15.803 0.958 -9.554 1.00 1.34 H new ATOM 0 HE2 LYS A 72 15.394 1.702 -11.770 1.00 1.77 H new ATOM 0 HE3 LYS A 72 13.775 1.563 -11.115 1.00 1.77 H new ATOM 0 HZ1 LYS A 72 13.471 3.773 -11.194 1.00 2.43 H new ATOM 0 HZ2 LYS A 72 15.013 4.122 -10.575 1.00 2.43 H new ATOM 0 HZ3 LYS A 72 14.815 3.803 -12.231 1.00 2.43 H new ATOM 1105 N ALA A 73 10.899 5.179 -6.966 1.00 0.33 N ATOM 1106 CA ALA A 73 10.291 6.543 -6.940 1.00 0.30 C ATOM 1107 C ALA A 73 9.183 6.591 -5.885 1.00 0.25 C ATOM 1108 O ALA A 73 8.043 6.283 -6.157 1.00 0.22 O ATOM 1109 CB ALA A 73 9.697 6.860 -8.315 1.00 0.34 C ATOM 0 H ALA A 73 10.277 4.422 -6.682 1.00 0.33 H new ATOM 0 HA ALA A 73 11.058 7.277 -6.694 1.00 0.30 H new ATOM 0 HB1 ALA A 73 9.253 7.855 -8.299 1.00 0.34 H new ATOM 0 HB2 ALA A 73 10.484 6.827 -9.068 1.00 0.34 H new ATOM 0 HB3 ALA A 73 8.931 6.124 -8.559 1.00 0.34 H new ATOM 1115 N THR A 74 9.513 6.979 -4.681 1.00 0.25 N ATOM 1116 CA THR A 74 8.484 7.054 -3.597 1.00 0.22 C ATOM 1117 C THR A 74 7.953 8.497 -3.519 1.00 0.21 C ATOM 1118 O THR A 74 8.663 9.412 -3.885 1.00 0.24 O ATOM 1119 CB THR A 74 9.156 6.679 -2.266 1.00 0.26 C ATOM 1120 OG1 THR A 74 10.455 7.250 -2.223 1.00 0.31 O ATOM 1121 CG2 THR A 74 9.265 5.157 -2.149 1.00 0.26 C ATOM 0 H THR A 74 10.455 7.249 -4.399 1.00 0.25 H new ATOM 0 HA THR A 74 7.658 6.373 -3.800 1.00 0.22 H new ATOM 0 HB THR A 74 8.557 7.059 -1.438 1.00 0.26 H new ATOM 0 HG1 THR A 74 10.888 7.015 -1.375 1.00 0.31 H new ATOM 0 HG21 THR A 74 9.742 4.898 -1.204 1.00 0.26 H new ATOM 0 HG22 THR A 74 8.268 4.717 -2.185 1.00 0.26 H new ATOM 0 HG23 THR A 74 9.862 4.770 -2.975 1.00 0.26 H new ATOM 1129 N PRO A 75 6.737 8.687 -3.031 1.00 0.19 N ATOM 1130 CA PRO A 75 5.827 7.608 -2.568 1.00 0.17 C ATOM 1131 C PRO A 75 5.182 6.891 -3.770 1.00 0.14 C ATOM 1132 O PRO A 75 4.943 7.485 -4.803 1.00 0.15 O ATOM 1133 CB PRO A 75 4.749 8.351 -1.741 1.00 0.19 C ATOM 1134 CG PRO A 75 4.920 9.874 -2.020 1.00 0.22 C ATOM 1135 CD PRO A 75 6.193 10.048 -2.878 1.00 0.21 C ATOM 0 HA PRO A 75 6.346 6.842 -1.992 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.750 8.018 -2.024 1.00 0.19 H new ATOM 0 HB3 PRO A 75 4.866 8.139 -0.678 1.00 0.19 H new ATOM 0 HG2 PRO A 75 4.048 10.268 -2.542 1.00 0.22 H new ATOM 0 HG3 PRO A 75 5.009 10.428 -1.085 1.00 0.22 H new ATOM 0 HD2 PRO A 75 5.959 10.491 -3.846 1.00 0.21 H new ATOM 0 HD3 PRO A 75 6.911 10.708 -2.390 1.00 0.21 H new ATOM 1143 N THR A 76 4.891 5.619 -3.630 1.00 0.13 N ATOM 1144 CA THR A 76 4.252 4.855 -4.749 1.00 0.13 C ATOM 1145 C THR A 76 3.180 3.917 -4.180 1.00 0.14 C ATOM 1146 O THR A 76 3.427 3.162 -3.261 1.00 0.23 O ATOM 1147 CB THR A 76 5.319 4.039 -5.491 1.00 0.15 C ATOM 1148 OG1 THR A 76 6.147 4.920 -6.231 1.00 0.21 O ATOM 1149 CG2 THR A 76 4.652 3.049 -6.450 1.00 0.19 C ATOM 0 H THR A 76 5.069 5.075 -2.786 1.00 0.13 H new ATOM 0 HA THR A 76 3.787 5.551 -5.447 1.00 0.13 H new ATOM 0 HB THR A 76 5.916 3.486 -4.766 1.00 0.15 H new ATOM 0 HG1 THR A 76 6.806 5.330 -5.632 1.00 0.21 H new ATOM 0 HG21 THR A 76 5.418 2.475 -6.971 1.00 0.19 H new ATOM 0 HG22 THR A 76 4.012 2.371 -5.886 1.00 0.19 H new ATOM 0 HG23 THR A 76 4.051 3.595 -7.177 1.00 0.19 H new ATOM 1157 N PHE A 77 1.990 3.962 -4.729 1.00 0.12 N ATOM 1158 CA PHE A 77 0.881 3.078 -4.242 1.00 0.13 C ATOM 1159 C PHE A 77 0.578 2.017 -5.304 1.00 0.13 C ATOM 1160 O PHE A 77 0.414 2.326 -6.468 1.00 0.21 O ATOM 1161 CB PHE A 77 -0.372 3.925 -4.006 1.00 0.14 C ATOM 1162 CG PHE A 77 -0.120 4.896 -2.878 1.00 0.13 C ATOM 1163 CD1 PHE A 77 0.454 6.154 -3.148 1.00 0.15 C ATOM 1164 CD2 PHE A 77 -0.460 4.546 -1.558 1.00 0.16 C ATOM 1165 CE1 PHE A 77 0.687 7.061 -2.094 1.00 0.17 C ATOM 1166 CE2 PHE A 77 -0.225 5.453 -0.505 1.00 0.17 C ATOM 1167 CZ PHE A 77 0.348 6.709 -0.774 1.00 0.17 C ATOM 0 H PHE A 77 1.736 4.579 -5.501 1.00 0.12 H new ATOM 0 HA PHE A 77 1.179 2.594 -3.312 1.00 0.13 H new ATOM 0 HB2 PHE A 77 -0.634 4.467 -4.915 1.00 0.14 H new ATOM 0 HB3 PHE A 77 -1.218 3.282 -3.764 1.00 0.14 H new ATOM 0 HD1 PHE A 77 0.715 6.423 -4.161 1.00 0.15 H new ATOM 0 HD2 PHE A 77 -0.901 3.582 -1.352 1.00 0.16 H new ATOM 0 HE1 PHE A 77 1.126 8.026 -2.300 1.00 0.17 H new ATOM 0 HE2 PHE A 77 -0.485 5.184 0.508 1.00 0.17 H new ATOM 0 HZ PHE A 77 0.528 7.404 0.033 1.00 0.17 H new ATOM 1177 N GLN A 78 0.500 0.768 -4.909 1.00 0.12 N ATOM 1178 CA GLN A 78 0.205 -0.333 -5.885 1.00 0.13 C ATOM 1179 C GLN A 78 -1.087 -1.043 -5.478 1.00 0.13 C ATOM 1180 O GLN A 78 -1.402 -1.157 -4.310 1.00 0.19 O ATOM 1181 CB GLN A 78 1.357 -1.340 -5.878 1.00 0.15 C ATOM 1182 CG GLN A 78 2.617 -0.683 -6.449 1.00 0.21 C ATOM 1183 CD GLN A 78 3.665 -1.758 -6.744 1.00 0.23 C ATOM 1184 OE1 GLN A 78 3.378 -2.937 -6.676 1.00 1.06 O ATOM 1185 NE2 GLN A 78 4.876 -1.400 -7.071 1.00 1.17 N ATOM 0 H GLN A 78 0.629 0.461 -3.945 1.00 0.12 H new ATOM 0 HA GLN A 78 0.091 0.088 -6.884 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.544 -1.687 -4.862 1.00 0.15 H new ATOM 0 HB3 GLN A 78 1.091 -2.216 -6.470 1.00 0.15 H new ATOM 0 HG2 GLN A 78 2.374 -0.137 -7.361 1.00 0.21 H new ATOM 0 HG3 GLN A 78 3.015 0.043 -5.740 1.00 0.21 H new ATOM 0 HE21 GLN A 78 5.117 -0.411 -7.128 1.00 1.17 H new ATOM 0 HE22 GLN A 78 5.581 -2.109 -7.269 1.00 1.17 H new ATOM 1194 N PHE A 79 -1.839 -1.519 -6.440 1.00 0.12 N ATOM 1195 CA PHE A 79 -3.124 -2.226 -6.133 1.00 0.13 C ATOM 1196 C PHE A 79 -2.954 -3.725 -6.383 1.00 0.13 C ATOM 1197 O PHE A 79 -2.535 -4.143 -7.444 1.00 0.21 O ATOM 1198 CB PHE A 79 -4.224 -1.677 -7.044 1.00 0.14 C ATOM 1199 CG PHE A 79 -4.593 -0.283 -6.593 1.00 0.15 C ATOM 1200 CD1 PHE A 79 -3.672 0.770 -6.754 1.00 0.15 C ATOM 1201 CD2 PHE A 79 -5.848 -0.036 -6.003 1.00 0.16 C ATOM 1202 CE1 PHE A 79 -4.004 2.068 -6.328 1.00 0.17 C ATOM 1203 CE2 PHE A 79 -6.180 1.263 -5.574 1.00 0.18 C ATOM 1204 CZ PHE A 79 -5.258 2.315 -5.736 1.00 0.18 C ATOM 0 H PHE A 79 -1.617 -1.448 -7.433 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.394 -2.064 -5.090 1.00 0.13 H new ATOM 0 HB2 PHE A 79 -3.881 -1.658 -8.078 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.099 -2.327 -7.010 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.709 0.580 -7.205 1.00 0.15 H new ATOM 0 HD2 PHE A 79 -6.555 -0.843 -5.880 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.298 2.875 -6.455 1.00 0.17 H new ATOM 0 HE2 PHE A 79 -7.142 1.453 -5.121 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.512 3.311 -5.406 1.00 0.18 H new ATOM 1214 N PHE A 80 -3.282 -4.536 -5.406 1.00 0.14 N ATOM 1215 CA PHE A 80 -3.151 -6.020 -5.558 1.00 0.15 C ATOM 1216 C PHE A 80 -4.495 -6.679 -5.235 1.00 0.15 C ATOM 1217 O PHE A 80 -5.305 -6.143 -4.506 1.00 0.18 O ATOM 1218 CB PHE A 80 -2.088 -6.541 -4.578 1.00 0.16 C ATOM 1219 CG PHE A 80 -0.705 -6.306 -5.139 1.00 0.16 C ATOM 1220 CD1 PHE A 80 -0.097 -7.288 -5.944 1.00 0.22 C ATOM 1221 CD2 PHE A 80 -0.021 -5.110 -4.850 1.00 0.15 C ATOM 1222 CE1 PHE A 80 1.196 -7.074 -6.459 1.00 0.25 C ATOM 1223 CE2 PHE A 80 1.271 -4.896 -5.367 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.880 -5.878 -6.170 1.00 0.21 C ATOM 0 H PHE A 80 -3.638 -4.230 -4.501 1.00 0.14 H new ATOM 0 HA PHE A 80 -2.857 -6.258 -6.580 1.00 0.15 H new ATOM 0 HB2 PHE A 80 -2.190 -6.037 -3.617 1.00 0.16 H new ATOM 0 HB3 PHE A 80 -2.239 -7.605 -4.397 1.00 0.16 H new ATOM 0 HD1 PHE A 80 -0.622 -8.205 -6.166 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -0.487 -4.357 -4.232 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.663 -7.828 -7.076 1.00 0.25 H new ATOM 0 HE2 PHE A 80 1.795 -3.978 -5.147 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.872 -5.714 -6.565 1.00 0.21 H new ATOM 1234 N LYS A 81 -4.727 -7.846 -5.768 1.00 0.14 N ATOM 1235 CA LYS A 81 -6.006 -8.560 -5.493 1.00 0.15 C ATOM 1236 C LYS A 81 -5.776 -10.058 -5.689 1.00 0.15 C ATOM 1237 O LYS A 81 -5.186 -10.479 -6.664 1.00 0.18 O ATOM 1238 CB LYS A 81 -7.092 -8.067 -6.454 1.00 0.20 C ATOM 1239 CG LYS A 81 -8.466 -8.533 -5.963 1.00 0.28 C ATOM 1240 CD LYS A 81 -9.573 -7.857 -6.788 1.00 0.78 C ATOM 1241 CE LYS A 81 -9.638 -6.347 -6.487 1.00 0.85 C ATOM 1242 NZ LYS A 81 -8.776 -5.611 -7.455 1.00 1.72 N ATOM 0 H LYS A 81 -4.082 -8.339 -6.386 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.332 -8.365 -4.471 1.00 0.15 H new ATOM 0 HB2 LYS A 81 -7.068 -6.979 -6.518 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -6.905 -8.450 -7.457 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -8.545 -9.617 -6.051 1.00 0.28 H new ATOM 0 HG3 LYS A 81 -8.587 -8.289 -4.907 1.00 0.28 H new ATOM 0 HD2 LYS A 81 -9.387 -8.012 -7.851 1.00 0.78 H new ATOM 0 HD3 LYS A 81 -10.534 -8.319 -6.562 1.00 0.78 H new ATOM 0 HE2 LYS A 81 -10.667 -5.995 -6.559 1.00 0.85 H new ATOM 0 HE3 LYS A 81 -9.305 -6.154 -5.467 1.00 0.85 H new ATOM 0 HZ1 LYS A 81 -9.186 -4.673 -7.641 1.00 1.72 H new ATOM 0 HZ2 LYS A 81 -7.822 -5.499 -7.055 1.00 1.72 H new ATOM 0 HZ3 LYS A 81 -8.718 -6.146 -8.345 1.00 1.72 H new ATOM 1256 N LYS A 82 -6.221 -10.865 -4.766 1.00 0.17 N ATOM 1257 CA LYS A 82 -6.009 -12.335 -4.898 1.00 0.20 C ATOM 1258 C LYS A 82 -4.523 -12.606 -5.144 1.00 0.22 C ATOM 1259 O LYS A 82 -4.125 -13.713 -5.451 1.00 0.28 O ATOM 1260 CB LYS A 82 -6.835 -12.875 -6.071 1.00 0.23 C ATOM 1261 CG LYS A 82 -8.319 -12.856 -5.700 1.00 0.33 C ATOM 1262 CD LYS A 82 -9.153 -13.264 -6.916 1.00 0.43 C ATOM 1263 CE LYS A 82 -10.640 -13.211 -6.557 1.00 1.28 C ATOM 1264 NZ LYS A 82 -11.452 -13.579 -7.751 1.00 1.95 N ATOM 0 H LYS A 82 -6.722 -10.571 -3.927 1.00 0.17 H new ATOM 0 HA LYS A 82 -6.326 -12.834 -3.982 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -6.664 -12.268 -6.960 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.522 -13.891 -6.313 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -8.507 -13.539 -4.871 1.00 0.33 H new ATOM 0 HG3 LYS A 82 -8.608 -11.860 -5.364 1.00 0.33 H new ATOM 0 HD2 LYS A 82 -8.946 -12.597 -7.753 1.00 0.43 H new ATOM 0 HD3 LYS A 82 -8.881 -14.270 -7.236 1.00 0.43 H new ATOM 0 HE2 LYS A 82 -10.851 -13.895 -5.735 1.00 1.28 H new ATOM 0 HE3 LYS A 82 -10.907 -12.211 -6.216 1.00 1.28 H new ATOM 0 HZ1 LYS A 82 -12.463 -13.543 -7.508 1.00 1.95 H new ATOM 0 HZ2 LYS A 82 -11.258 -12.910 -8.523 1.00 1.95 H new ATOM 0 HZ3 LYS A 82 -11.203 -14.541 -8.057 1.00 1.95 H new ATOM 1278 N GLY A 83 -3.696 -11.600 -5.003 1.00 0.21 N ATOM 1279 CA GLY A 83 -2.228 -11.786 -5.221 1.00 0.24 C ATOM 1280 C GLY A 83 -1.860 -11.410 -6.657 1.00 0.25 C ATOM 1281 O GLY A 83 -0.923 -11.939 -7.222 1.00 0.29 O ATOM 0 H GLY A 83 -3.976 -10.654 -4.745 1.00 0.21 H new ATOM 0 HA2 GLY A 83 -1.667 -11.169 -4.520 1.00 0.24 H new ATOM 0 HA3 GLY A 83 -1.951 -12.822 -5.025 1.00 0.24 H new ATOM 1285 N GLN A 84 -2.590 -10.499 -7.255 1.00 0.23 N ATOM 1286 CA GLN A 84 -2.289 -10.079 -8.664 1.00 0.26 C ATOM 1287 C GLN A 84 -2.291 -8.551 -8.759 1.00 0.23 C ATOM 1288 O GLN A 84 -3.260 -7.901 -8.421 1.00 0.21 O ATOM 1289 CB GLN A 84 -3.361 -10.644 -9.601 1.00 0.29 C ATOM 1290 CG GLN A 84 -3.116 -12.139 -9.818 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.168 -12.694 -10.780 1.00 0.83 C ATOM 1292 OE1 GLN A 84 -3.850 -13.096 -11.881 1.00 1.37 O ATOM 1293 NE2 GLN A 84 -5.418 -12.735 -10.406 1.00 1.17 N ATOM 0 H GLN A 84 -3.385 -10.025 -6.827 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.309 -10.459 -8.952 1.00 0.26 H new ATOM 0 HB2 GLN A 84 -4.351 -10.486 -9.174 1.00 0.29 H new ATOM 0 HB3 GLN A 84 -3.337 -10.119 -10.556 1.00 0.29 H new ATOM 0 HG2 GLN A 84 -2.117 -12.300 -10.223 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -3.163 -12.668 -8.866 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -5.685 -12.397 -9.481 1.00 1.17 H new ATOM 0 HE22 GLN A 84 -6.128 -13.105 -11.038 1.00 1.17 H new ATOM 1302 N LYS A 85 -1.218 -7.973 -9.229 1.00 0.26 N ATOM 1303 CA LYS A 85 -1.171 -6.488 -9.358 1.00 0.25 C ATOM 1304 C LYS A 85 -2.170 -6.060 -10.436 1.00 0.25 C ATOM 1305 O LYS A 85 -1.946 -6.264 -11.612 1.00 0.35 O ATOM 1306 CB LYS A 85 0.245 -6.052 -9.758 1.00 0.30 C ATOM 1307 CG LYS A 85 0.436 -4.564 -9.444 1.00 0.34 C ATOM 1308 CD LYS A 85 1.666 -4.029 -10.185 1.00 0.34 C ATOM 1309 CE LYS A 85 2.880 -4.915 -9.889 1.00 0.72 C ATOM 1310 NZ LYS A 85 2.797 -6.161 -10.703 1.00 1.64 N ATOM 0 H LYS A 85 -0.375 -8.463 -9.528 1.00 0.26 H new ATOM 0 HA LYS A 85 -1.429 -6.021 -8.408 1.00 0.25 H new ATOM 0 HB2 LYS A 85 0.984 -6.645 -9.219 1.00 0.30 H new ATOM 0 HB3 LYS A 85 0.405 -6.233 -10.821 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -0.451 -4.004 -9.741 1.00 0.34 H new ATOM 0 HG3 LYS A 85 0.557 -4.423 -8.370 1.00 0.34 H new ATOM 0 HD2 LYS A 85 1.474 -4.007 -11.258 1.00 0.34 H new ATOM 0 HD3 LYS A 85 1.870 -3.004 -9.877 1.00 0.34 H new ATOM 0 HE2 LYS A 85 3.800 -4.378 -10.120 1.00 0.72 H new ATOM 0 HE3 LYS A 85 2.913 -5.163 -8.828 1.00 0.72 H new ATOM 0 HZ1 LYS A 85 3.743 -6.408 -11.058 1.00 1.64 H new ATOM 0 HZ2 LYS A 85 2.435 -6.937 -10.113 1.00 1.64 H new ATOM 0 HZ3 LYS A 85 2.155 -6.008 -11.507 1.00 1.64 H new ATOM 1324 N VAL A 86 -3.279 -5.484 -10.040 1.00 0.20 N ATOM 1325 CA VAL A 86 -4.318 -5.052 -11.032 1.00 0.22 C ATOM 1326 C VAL A 86 -4.481 -3.531 -10.997 1.00 0.26 C ATOM 1327 O VAL A 86 -5.580 -3.016 -11.066 1.00 0.59 O ATOM 1328 CB VAL A 86 -5.651 -5.707 -10.666 1.00 0.29 C ATOM 1329 CG1 VAL A 86 -5.546 -7.221 -10.850 1.00 0.40 C ATOM 1330 CG2 VAL A 86 -5.985 -5.396 -9.206 1.00 0.35 C ATOM 0 H VAL A 86 -3.512 -5.293 -9.066 1.00 0.20 H new ATOM 0 HA VAL A 86 -4.009 -5.353 -12.033 1.00 0.22 H new ATOM 0 HB VAL A 86 -6.436 -5.317 -11.313 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -6.497 -7.686 -10.589 1.00 0.40 H new ATOM 0 HG12 VAL A 86 -5.306 -7.445 -11.889 1.00 0.40 H new ATOM 0 HG13 VAL A 86 -4.761 -7.613 -10.203 1.00 0.40 H new ATOM 0 HG21 VAL A 86 -6.935 -5.862 -8.943 1.00 0.35 H new ATOM 0 HG22 VAL A 86 -5.198 -5.787 -8.561 1.00 0.35 H new ATOM 0 HG23 VAL A 86 -6.061 -4.317 -9.072 1.00 0.35 H new ATOM 1340 N GLY A 87 -3.402 -2.799 -10.898 1.00 0.26 N ATOM 1341 CA GLY A 87 -3.511 -1.308 -10.868 1.00 0.25 C ATOM 1342 C GLY A 87 -2.329 -0.716 -10.100 1.00 0.17 C ATOM 1343 O GLY A 87 -1.821 -1.307 -9.168 1.00 0.16 O ATOM 0 H GLY A 87 -2.452 -3.167 -10.837 1.00 0.26 H new ATOM 0 HA2 GLY A 87 -3.529 -0.915 -11.885 1.00 0.25 H new ATOM 0 HA3 GLY A 87 -4.448 -1.012 -10.396 1.00 0.25 H new ATOM 1347 N GLU A 88 -1.887 0.453 -10.480 1.00 0.18 N ATOM 1348 CA GLU A 88 -0.741 1.083 -9.766 1.00 0.17 C ATOM 1349 C GLU A 88 -0.545 2.517 -10.266 1.00 0.17 C ATOM 1350 O GLU A 88 -0.837 2.834 -11.402 1.00 0.19 O ATOM 1351 CB GLU A 88 0.531 0.273 -10.029 1.00 0.27 C ATOM 1352 CG GLU A 88 0.713 0.082 -11.536 1.00 0.92 C ATOM 1353 CD GLU A 88 2.028 -0.653 -11.801 1.00 1.74 C ATOM 1354 OE1 GLU A 88 2.734 -0.927 -10.845 1.00 2.43 O ATOM 1355 OE2 GLU A 88 2.307 -0.929 -12.956 1.00 2.40 O ATOM 0 H GLU A 88 -2.270 0.997 -11.253 1.00 0.18 H new ATOM 0 HA GLU A 88 -0.949 1.100 -8.696 1.00 0.17 H new ATOM 0 HB2 GLU A 88 1.396 0.788 -9.610 1.00 0.27 H new ATOM 0 HB3 GLU A 88 0.466 -0.696 -9.534 1.00 0.27 H new ATOM 0 HG2 GLU A 88 -0.122 -0.486 -11.945 1.00 0.92 H new ATOM 0 HG3 GLU A 88 0.717 1.049 -12.038 1.00 0.92 H new ATOM 1362 N PHE A 89 -0.043 3.383 -9.428 1.00 0.15 N ATOM 1363 CA PHE A 89 0.184 4.792 -9.857 1.00 0.16 C ATOM 1364 C PHE A 89 1.068 5.496 -8.820 1.00 0.16 C ATOM 1365 O PHE A 89 0.827 5.411 -7.631 1.00 0.18 O ATOM 1366 CB PHE A 89 -1.168 5.518 -9.999 1.00 0.16 C ATOM 1367 CG PHE A 89 -1.678 5.986 -8.651 1.00 0.15 C ATOM 1368 CD1 PHE A 89 -1.181 7.180 -8.095 1.00 0.17 C ATOM 1369 CD2 PHE A 89 -2.649 5.237 -7.957 1.00 0.15 C ATOM 1370 CE1 PHE A 89 -1.653 7.627 -6.848 1.00 0.18 C ATOM 1371 CE2 PHE A 89 -3.121 5.685 -6.706 1.00 0.16 C ATOM 1372 CZ PHE A 89 -2.623 6.881 -6.153 1.00 0.18 C ATOM 0 H PHE A 89 0.220 3.175 -8.465 1.00 0.15 H new ATOM 0 HA PHE A 89 0.687 4.809 -10.824 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.057 6.373 -10.667 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -1.898 4.849 -10.456 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.436 7.753 -8.627 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -3.031 4.321 -8.383 1.00 0.15 H new ATOM 0 HE1 PHE A 89 -1.271 8.544 -6.423 1.00 0.18 H new ATOM 0 HE2 PHE A 89 -3.864 5.111 -6.172 1.00 0.16 H new ATOM 0 HZ PHE A 89 -2.986 7.225 -5.196 1.00 0.18 H new ATOM 1382 N SER A 90 2.094 6.182 -9.261 1.00 0.16 N ATOM 1383 CA SER A 90 3.008 6.887 -8.308 1.00 0.18 C ATOM 1384 C SER A 90 2.754 8.394 -8.357 1.00 0.18 C ATOM 1385 O SER A 90 2.595 8.974 -9.414 1.00 0.21 O ATOM 1386 CB SER A 90 4.459 6.609 -8.704 1.00 0.22 C ATOM 1387 OG SER A 90 4.733 7.237 -9.950 1.00 0.35 O ATOM 0 H SER A 90 2.339 6.285 -10.246 1.00 0.16 H new ATOM 0 HA SER A 90 2.821 6.524 -7.297 1.00 0.18 H new ATOM 0 HB2 SER A 90 5.136 6.985 -7.937 1.00 0.22 H new ATOM 0 HB3 SER A 90 4.628 5.535 -8.780 1.00 0.22 H new ATOM 0 HG SER A 90 5.663 7.063 -10.207 1.00 0.35 H new ATOM 1393 N GLY A 91 2.720 9.033 -7.219 1.00 0.19 N ATOM 1394 CA GLY A 91 2.483 10.506 -7.189 1.00 0.20 C ATOM 1395 C GLY A 91 1.861 10.900 -5.849 1.00 0.19 C ATOM 1396 O GLY A 91 1.147 10.133 -5.235 1.00 0.19 O ATOM 0 H GLY A 91 2.847 8.597 -6.305 1.00 0.19 H new ATOM 0 HA2 GLY A 91 3.423 11.038 -7.335 1.00 0.20 H new ATOM 0 HA3 GLY A 91 1.822 10.795 -8.007 1.00 0.20 H new ATOM 1400 N ALA A 92 2.129 12.093 -5.391 1.00 0.21 N ATOM 1401 CA ALA A 92 1.556 12.539 -4.091 1.00 0.24 C ATOM 1402 C ALA A 92 0.109 12.990 -4.296 1.00 0.23 C ATOM 1403 O ALA A 92 -0.278 14.065 -3.882 1.00 0.31 O ATOM 1404 CB ALA A 92 2.380 13.706 -3.544 1.00 0.28 C ATOM 0 H ALA A 92 2.720 12.778 -5.862 1.00 0.21 H new ATOM 0 HA ALA A 92 1.581 11.711 -3.382 1.00 0.24 H new ATOM 0 HB1 ALA A 92 1.961 14.033 -2.592 1.00 0.28 H new ATOM 0 HB2 ALA A 92 3.411 13.385 -3.395 1.00 0.28 H new ATOM 0 HB3 ALA A 92 2.356 14.533 -4.254 1.00 0.28 H new ATOM 1410 N ASN A 93 -0.695 12.172 -4.931 1.00 0.22 N ATOM 1411 CA ASN A 93 -2.128 12.540 -5.168 1.00 0.23 C ATOM 1412 C ASN A 93 -3.010 11.750 -4.201 1.00 0.23 C ATOM 1413 O ASN A 93 -3.578 10.734 -4.549 1.00 0.21 O ATOM 1414 CB ASN A 93 -2.511 12.190 -6.610 1.00 0.25 C ATOM 1415 CG ASN A 93 -3.810 12.909 -6.983 1.00 0.29 C ATOM 1416 OD1 ASN A 93 -4.856 12.619 -6.438 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.786 13.843 -7.894 1.00 0.91 N ATOM 0 H ASN A 93 -0.420 11.261 -5.297 1.00 0.22 H new ATOM 0 HA ASN A 93 -2.268 13.609 -5.006 1.00 0.23 H new ATOM 0 HB2 ASN A 93 -1.712 12.484 -7.291 1.00 0.25 H new ATOM 0 HB3 ASN A 93 -2.637 11.112 -6.712 1.00 0.25 H new ATOM 0 HD21 ASN A 93 -4.646 14.330 -8.148 1.00 0.91 H new ATOM 0 HD22 ASN A 93 -2.908 14.087 -8.352 1.00 0.91 H new ATOM 1424 N LYS A 94 -3.124 12.209 -2.986 1.00 0.29 N ATOM 1425 CA LYS A 94 -3.963 11.488 -1.990 1.00 0.32 C ATOM 1426 C LYS A 94 -5.409 11.423 -2.492 1.00 0.30 C ATOM 1427 O LYS A 94 -6.134 10.493 -2.202 1.00 0.28 O ATOM 1428 CB LYS A 94 -3.915 12.224 -0.639 1.00 0.42 C ATOM 1429 CG LYS A 94 -4.013 13.757 -0.852 1.00 0.53 C ATOM 1430 CD LYS A 94 -2.604 14.398 -0.886 1.00 0.91 C ATOM 1431 CE LYS A 94 -2.145 14.776 0.531 1.00 0.70 C ATOM 1432 NZ LYS A 94 -1.878 13.539 1.318 1.00 1.12 N ATOM 0 H LYS A 94 -2.671 13.055 -2.639 1.00 0.29 H new ATOM 0 HA LYS A 94 -3.579 10.476 -1.859 1.00 0.32 H new ATOM 0 HB2 LYS A 94 -4.734 11.886 -0.005 1.00 0.42 H new ATOM 0 HB3 LYS A 94 -2.988 11.982 -0.119 1.00 0.42 H new ATOM 0 HG2 LYS A 94 -4.535 13.966 -1.785 1.00 0.53 H new ATOM 0 HG3 LYS A 94 -4.601 14.203 -0.050 1.00 0.53 H new ATOM 0 HD2 LYS A 94 -1.893 13.702 -1.330 1.00 0.91 H new ATOM 0 HD3 LYS A 94 -2.618 15.286 -1.518 1.00 0.91 H new ATOM 0 HE2 LYS A 94 -1.245 15.388 0.481 1.00 0.70 H new ATOM 0 HE3 LYS A 94 -2.911 15.375 1.024 1.00 0.70 H new ATOM 0 HZ1 LYS A 94 -0.990 13.649 1.848 1.00 1.12 H new ATOM 0 HZ2 LYS A 94 -2.660 13.375 1.984 1.00 1.12 H new ATOM 0 HZ3 LYS A 94 -1.797 12.728 0.673 1.00 1.12 H new ATOM 1446 N GLU A 95 -5.832 12.402 -3.242 1.00 0.32 N ATOM 1447 CA GLU A 95 -7.229 12.392 -3.761 1.00 0.35 C ATOM 1448 C GLU A 95 -7.385 11.266 -4.785 1.00 0.29 C ATOM 1449 O GLU A 95 -8.466 10.754 -4.998 1.00 0.31 O ATOM 1450 CB GLU A 95 -7.535 13.735 -4.427 1.00 0.41 C ATOM 1451 CG GLU A 95 -7.518 14.844 -3.373 1.00 0.56 C ATOM 1452 CD GLU A 95 -8.714 14.676 -2.435 1.00 1.24 C ATOM 1453 OE1 GLU A 95 -9.825 14.920 -2.874 1.00 1.91 O ATOM 1454 OE2 GLU A 95 -8.498 14.305 -1.293 1.00 1.99 O ATOM 0 H GLU A 95 -5.272 13.208 -3.518 1.00 0.32 H new ATOM 0 HA GLU A 95 -7.922 12.230 -2.936 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -6.798 13.945 -5.202 1.00 0.41 H new ATOM 0 HB3 GLU A 95 -8.509 13.697 -4.915 1.00 0.41 H new ATOM 0 HG2 GLU A 95 -6.589 14.806 -2.805 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -7.556 15.820 -3.856 1.00 0.56 H new ATOM 1461 N LYS A 96 -6.315 10.879 -5.422 1.00 0.25 N ATOM 1462 CA LYS A 96 -6.402 9.787 -6.433 1.00 0.24 C ATOM 1463 C LYS A 96 -6.730 8.465 -5.736 1.00 0.21 C ATOM 1464 O LYS A 96 -7.464 7.646 -6.253 1.00 0.23 O ATOM 1465 CB LYS A 96 -5.062 9.660 -7.162 1.00 0.24 C ATOM 1466 CG LYS A 96 -5.154 8.548 -8.213 1.00 0.32 C ATOM 1467 CD LYS A 96 -3.946 8.615 -9.167 1.00 0.36 C ATOM 1468 CE LYS A 96 -4.218 9.610 -10.304 1.00 1.03 C ATOM 1469 NZ LYS A 96 -3.089 9.572 -11.275 1.00 1.91 N ATOM 0 H LYS A 96 -5.383 11.272 -5.286 1.00 0.25 H new ATOM 0 HA LYS A 96 -7.188 10.021 -7.151 1.00 0.24 H new ATOM 0 HB2 LYS A 96 -4.805 10.606 -7.639 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -4.268 9.436 -6.449 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -5.185 7.575 -7.722 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -6.080 8.649 -8.779 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -3.055 8.917 -8.616 1.00 0.36 H new ATOM 0 HD3 LYS A 96 -3.745 7.627 -9.580 1.00 0.36 H new ATOM 0 HE2 LYS A 96 -5.152 9.359 -10.806 1.00 1.03 H new ATOM 0 HE3 LYS A 96 -4.333 10.617 -9.902 1.00 1.03 H new ATOM 0 HZ1 LYS A 96 -3.272 10.246 -12.046 1.00 1.91 H new ATOM 0 HZ2 LYS A 96 -2.206 9.831 -10.791 1.00 1.91 H new ATOM 0 HZ3 LYS A 96 -3.000 8.613 -11.667 1.00 1.91 H new ATOM 1483 N LEU A 97 -6.192 8.246 -4.567 1.00 0.18 N ATOM 1484 CA LEU A 97 -6.472 6.974 -3.842 1.00 0.17 C ATOM 1485 C LEU A 97 -7.983 6.732 -3.787 1.00 0.17 C ATOM 1486 O LEU A 97 -8.448 5.621 -3.938 1.00 0.18 O ATOM 1487 CB LEU A 97 -5.926 7.062 -2.412 1.00 0.17 C ATOM 1488 CG LEU A 97 -4.395 7.208 -2.432 1.00 0.19 C ATOM 1489 CD1 LEU A 97 -3.911 7.714 -1.069 1.00 0.23 C ATOM 1490 CD2 LEU A 97 -3.732 5.851 -2.720 1.00 0.23 C ATOM 0 H LEU A 97 -5.570 8.893 -4.082 1.00 0.18 H new ATOM 0 HA LEU A 97 -5.988 6.152 -4.369 1.00 0.17 H new ATOM 0 HB2 LEU A 97 -6.372 7.913 -1.897 1.00 0.17 H new ATOM 0 HB3 LEU A 97 -6.205 6.169 -1.853 1.00 0.17 H new ATOM 0 HG LEU A 97 -4.123 7.916 -3.215 1.00 0.19 H new ATOM 0 HD11 LEU A 97 -2.826 7.817 -1.084 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -4.365 8.682 -0.858 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -4.197 7.003 -0.294 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -2.649 5.970 -2.731 1.00 0.23 H new ATOM 0 HD22 LEU A 97 -4.011 5.138 -1.944 1.00 0.23 H new ATOM 0 HD23 LEU A 97 -4.066 5.481 -3.689 1.00 0.23 H new ATOM 1502 N GLU A 98 -8.754 7.758 -3.563 1.00 0.19 N ATOM 1503 CA GLU A 98 -10.232 7.577 -3.487 1.00 0.21 C ATOM 1504 C GLU A 98 -10.779 7.167 -4.858 1.00 0.20 C ATOM 1505 O GLU A 98 -11.409 6.138 -5.002 1.00 0.19 O ATOM 1506 CB GLU A 98 -10.884 8.891 -3.051 1.00 0.25 C ATOM 1507 CG GLU A 98 -12.368 8.657 -2.764 1.00 0.30 C ATOM 1508 CD GLU A 98 -12.958 9.896 -2.089 1.00 1.16 C ATOM 1509 OE1 GLU A 98 -13.309 10.823 -2.800 1.00 1.81 O ATOM 1510 OE2 GLU A 98 -13.050 9.897 -0.872 1.00 1.98 O ATOM 0 H GLU A 98 -8.426 8.715 -3.429 1.00 0.19 H new ATOM 0 HA GLU A 98 -10.460 6.796 -2.762 1.00 0.21 H new ATOM 0 HB2 GLU A 98 -10.388 9.277 -2.161 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.768 9.643 -3.832 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -12.900 8.447 -3.692 1.00 0.30 H new ATOM 0 HG3 GLU A 98 -12.492 7.786 -2.121 1.00 0.30 H new ATOM 1517 N ALA A 99 -10.554 7.969 -5.861 1.00 0.24 N ATOM 1518 CA ALA A 99 -11.071 7.632 -7.218 1.00 0.26 C ATOM 1519 C ALA A 99 -10.582 6.244 -7.640 1.00 0.23 C ATOM 1520 O ALA A 99 -11.319 5.466 -8.215 1.00 0.23 O ATOM 1521 CB ALA A 99 -10.572 8.673 -8.223 1.00 0.33 C ATOM 0 H ALA A 99 -10.034 8.844 -5.800 1.00 0.24 H new ATOM 0 HA ALA A 99 -12.161 7.632 -7.194 1.00 0.26 H new ATOM 0 HB1 ALA A 99 -10.948 8.429 -9.216 1.00 0.33 H new ATOM 0 HB2 ALA A 99 -10.930 9.661 -7.932 1.00 0.33 H new ATOM 0 HB3 ALA A 99 -9.482 8.671 -8.238 1.00 0.33 H new ATOM 1527 N THR A 100 -9.344 5.927 -7.373 1.00 0.23 N ATOM 1528 CA THR A 100 -8.815 4.593 -7.775 1.00 0.22 C ATOM 1529 C THR A 100 -9.425 3.494 -6.899 1.00 0.19 C ATOM 1530 O THR A 100 -9.868 2.475 -7.389 1.00 0.20 O ATOM 1531 CB THR A 100 -7.293 4.580 -7.623 1.00 0.24 C ATOM 1532 OG1 THR A 100 -6.742 5.699 -8.302 1.00 0.30 O ATOM 1533 CG2 THR A 100 -6.731 3.288 -8.221 1.00 0.27 C ATOM 0 H THR A 100 -8.677 6.533 -6.895 1.00 0.23 H new ATOM 0 HA THR A 100 -9.082 4.406 -8.815 1.00 0.22 H new ATOM 0 HB THR A 100 -7.031 4.632 -6.566 1.00 0.24 H new ATOM 0 HG1 THR A 100 -6.950 6.518 -7.805 1.00 0.30 H new ATOM 0 HG21 THR A 100 -5.646 3.279 -8.113 1.00 0.27 H new ATOM 0 HG22 THR A 100 -7.155 2.431 -7.699 1.00 0.27 H new ATOM 0 HG23 THR A 100 -6.991 3.233 -9.278 1.00 0.27 H new ATOM 1541 N ILE A 101 -9.447 3.686 -5.607 1.00 0.17 N ATOM 1542 CA ILE A 101 -10.027 2.642 -4.711 1.00 0.17 C ATOM 1543 C ILE A 101 -11.474 2.360 -5.130 1.00 0.20 C ATOM 1544 O ILE A 101 -11.911 1.227 -5.149 1.00 0.22 O ATOM 1545 CB ILE A 101 -9.977 3.132 -3.253 1.00 0.19 C ATOM 1546 CG1 ILE A 101 -8.518 3.073 -2.751 1.00 0.19 C ATOM 1547 CG2 ILE A 101 -10.864 2.235 -2.374 1.00 0.22 C ATOM 1548 CD1 ILE A 101 -8.325 3.990 -1.533 1.00 0.25 C ATOM 0 H ILE A 101 -9.090 4.517 -5.134 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.449 1.721 -4.793 1.00 0.17 H new ATOM 0 HB ILE A 101 -10.343 4.157 -3.198 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -8.261 2.048 -2.485 1.00 0.19 H new ATOM 0 HG13 ILE A 101 -7.841 3.374 -3.550 1.00 0.19 H new ATOM 0 HG21 ILE A 101 -10.826 2.585 -1.342 1.00 0.22 H new ATOM 0 HG22 ILE A 101 -11.892 2.276 -2.734 1.00 0.22 H new ATOM 0 HG23 ILE A 101 -10.503 1.208 -2.422 1.00 0.22 H new ATOM 0 HD11 ILE A 101 -7.290 3.933 -1.195 1.00 0.25 H new ATOM 0 HD12 ILE A 101 -8.561 5.018 -1.810 1.00 0.25 H new ATOM 0 HD13 ILE A 101 -8.987 3.670 -0.728 1.00 0.25 H new ATOM 1560 N ASN A 102 -12.219 3.376 -5.469 1.00 0.22 N ATOM 1561 CA ASN A 102 -13.633 3.150 -5.883 1.00 0.26 C ATOM 1562 C ASN A 102 -13.651 2.534 -7.283 1.00 0.26 C ATOM 1563 O ASN A 102 -14.695 2.239 -7.831 1.00 0.29 O ATOM 1564 CB ASN A 102 -14.378 4.487 -5.902 1.00 0.30 C ATOM 1565 CG ASN A 102 -15.816 4.262 -6.373 1.00 0.40 C ATOM 1566 OD1 ASN A 102 -16.584 3.586 -5.718 1.00 0.85 O ATOM 1567 ND2 ASN A 102 -16.216 4.806 -7.490 1.00 0.83 N ATOM 0 H ASN A 102 -11.912 4.349 -5.477 1.00 0.22 H new ATOM 0 HA ASN A 102 -14.121 2.476 -5.179 1.00 0.26 H new ATOM 0 HB2 ASN A 102 -14.375 4.931 -4.907 1.00 0.30 H new ATOM 0 HB3 ASN A 102 -13.872 5.188 -6.566 1.00 0.30 H new ATOM 0 HD21 ASN A 102 -17.173 4.663 -7.813 1.00 0.83 H new ATOM 0 HD22 ASN A 102 -15.572 5.374 -8.040 1.00 0.83 H new ATOM 1574 N GLU A 103 -12.500 2.340 -7.862 1.00 0.24 N ATOM 1575 CA GLU A 103 -12.436 1.744 -9.226 1.00 0.28 C ATOM 1576 C GLU A 103 -12.584 0.222 -9.132 1.00 0.29 C ATOM 1577 O GLU A 103 -13.479 -0.362 -9.709 1.00 0.33 O ATOM 1578 CB GLU A 103 -11.083 2.088 -9.861 1.00 0.29 C ATOM 1579 CG GLU A 103 -11.161 1.902 -11.379 1.00 0.36 C ATOM 1580 CD GLU A 103 -9.785 2.157 -11.996 1.00 1.18 C ATOM 1581 OE1 GLU A 103 -9.121 3.080 -11.554 1.00 1.96 O ATOM 1582 OE2 GLU A 103 -9.418 1.423 -12.899 1.00 1.88 O ATOM 0 H GLU A 103 -11.596 2.569 -7.448 1.00 0.24 H new ATOM 0 HA GLU A 103 -13.244 2.145 -9.838 1.00 0.28 H new ATOM 0 HB2 GLU A 103 -10.811 3.117 -9.625 1.00 0.29 H new ATOM 0 HB3 GLU A 103 -10.303 1.449 -9.447 1.00 0.29 H new ATOM 0 HG2 GLU A 103 -11.496 0.892 -11.615 1.00 0.36 H new ATOM 0 HG3 GLU A 103 -11.894 2.588 -11.803 1.00 0.36 H new ATOM 1589 N LEU A 104 -11.702 -0.423 -8.414 1.00 0.28 N ATOM 1590 CA LEU A 104 -11.768 -1.912 -8.282 1.00 0.31 C ATOM 1591 C LEU A 104 -12.456 -2.288 -6.965 1.00 0.32 C ATOM 1592 O LEU A 104 -12.278 -3.375 -6.453 1.00 0.37 O ATOM 1593 CB LEU A 104 -10.345 -2.481 -8.296 1.00 0.33 C ATOM 1594 CG LEU A 104 -9.519 -1.779 -9.379 1.00 0.38 C ATOM 1595 CD1 LEU A 104 -8.114 -2.382 -9.420 1.00 0.37 C ATOM 1596 CD2 LEU A 104 -10.196 -1.967 -10.739 1.00 0.57 C ATOM 0 H LEU A 104 -10.933 0.019 -7.910 1.00 0.28 H new ATOM 0 HA LEU A 104 -12.339 -2.325 -9.113 1.00 0.31 H new ATOM 0 HB2 LEU A 104 -9.878 -2.342 -7.321 1.00 0.33 H new ATOM 0 HB3 LEU A 104 -10.374 -3.554 -8.485 1.00 0.33 H new ATOM 0 HG LEU A 104 -9.451 -0.715 -9.152 1.00 0.38 H new ATOM 0 HD11 LEU A 104 -7.526 -1.883 -10.190 1.00 0.37 H new ATOM 0 HD12 LEU A 104 -7.632 -2.248 -8.452 1.00 0.37 H new ATOM 0 HD13 LEU A 104 -8.181 -3.446 -9.647 1.00 0.37 H new ATOM 0 HD21 LEU A 104 -9.609 -1.468 -11.510 1.00 0.57 H new ATOM 0 HD22 LEU A 104 -10.265 -3.031 -10.967 1.00 0.57 H new ATOM 0 HD23 LEU A 104 -11.197 -1.537 -10.710 1.00 0.57 H new ATOM 1608 N VAL A 105 -13.239 -1.402 -6.413 1.00 0.29 N ATOM 1609 CA VAL A 105 -13.932 -1.722 -5.133 1.00 0.33 C ATOM 1610 C VAL A 105 -14.961 -2.828 -5.375 1.00 0.39 C ATOM 1611 O VAL A 105 -15.474 -2.902 -6.480 1.00 1.16 O ATOM 1612 CB VAL A 105 -14.640 -0.472 -4.605 1.00 0.32 C ATOM 1613 CG1 VAL A 105 -15.569 0.084 -5.686 1.00 0.33 C ATOM 1614 CG2 VAL A 105 -15.461 -0.835 -3.366 1.00 0.38 C ATOM 1615 OXT VAL A 105 -15.220 -3.583 -4.451 1.00 1.10 O ATOM 0 H VAL A 105 -13.428 -0.474 -6.791 1.00 0.29 H new ATOM 0 HA VAL A 105 -13.200 -2.059 -4.399 1.00 0.33 H new ATOM 0 HB VAL A 105 -13.897 0.281 -4.341 1.00 0.32 H new ATOM 0 HG11 VAL A 105 -16.073 0.974 -5.310 1.00 0.33 H new ATOM 0 HG12 VAL A 105 -14.985 0.343 -6.569 1.00 0.33 H new ATOM 0 HG13 VAL A 105 -16.311 -0.669 -5.950 1.00 0.33 H new ATOM 0 HG21 VAL A 105 -15.965 0.055 -2.990 1.00 0.38 H new ATOM 0 HG22 VAL A 105 -16.203 -1.588 -3.629 1.00 0.38 H new ATOM 0 HG23 VAL A 105 -14.800 -1.231 -2.595 1.00 0.38 H new TER 1625 VAL A 105 HETATM 1626 O HOH A 201 -5.813 -11.319 -2.025 1.00 0.37 O HETATM 1629 O HOH A 202 8.552 -2.446 6.798 1.00 0.61 O HETATM 1632 O HOH A 203 11.836 3.256 4.281 1.00 0.24 O HETATM 1635 O HOH A 204 -7.976 -10.170 -1.110 1.00 0.37 O HETATM 1638 O HOH A 205 -6.118 -13.771 -0.761 1.00 0.37 O HETATM 1641 O HOH A 206 -11.603 -4.729 0.329 1.00 0.36 O HETATM 1644 O HOH A 207 -10.611 -1.419 5.950 1.00 0.50 O