USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 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 -157:sc= -0.0958 (180deg=-0.931) USER MOD Single : A 1 MET N :NH3+ 125:sc= -0.0877 (180deg=-0.93) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -2.34! (180deg=-2.68!) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000629 USER MOD Single : A 12 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.0608 (180deg=-0.499) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -1.54! (180deg=-2.19!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -0.914 (180deg=-2.48!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.31 F(o=-2.6!,f=-1.3) USER MOD Single : A 44 SER OG : rot -51:sc= 0.812 USER MOD Single : A 46 SER OG : rot -39:sc= 0.0452 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= -0.388 X(o=-0.39,f=-0.87) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= -0.954 (180deg=-1.01) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.047 USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.388 USER MOD Single : A 78 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.325 (180deg=-1.4!) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -2.86! (180deg=-2.87!) USER MOD Single : A 84 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 93 ASN : amide:sc= -1.76! C(o=-1.8!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 159:sc= -0.415 (180deg=-1.24) USER MOD Single : A 100 THR OG1 : rot 73:sc= -0.165 USER MOD Single : A 102 ASN : amide:sc= -2! C(o=-2!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.438 -3.443 7.908 1.00 0.85 N ATOM 2 CA MET A 1 -7.362 -3.365 8.937 1.00 0.49 C ATOM 3 C MET A 1 -6.044 -2.972 8.268 1.00 0.37 C ATOM 4 O MET A 1 -6.024 -2.460 7.166 1.00 0.37 O ATOM 5 CB MET A 1 -7.203 -4.729 9.614 1.00 0.80 C ATOM 6 CG MET A 1 -6.720 -5.755 8.586 1.00 1.26 C ATOM 7 SD MET A 1 -6.903 -7.421 9.267 1.00 2.14 S ATOM 8 CE MET A 1 -5.741 -7.234 10.641 1.00 2.88 C ATOM 0 H1 MET A 1 -8.888 -4.380 7.947 1.00 0.85 H new ATOM 0 H2 MET A 1 -9.150 -2.708 8.094 1.00 0.85 H new ATOM 0 H3 MET A 1 -8.027 -3.296 6.964 1.00 0.85 H new ATOM 0 HA MET A 1 -7.628 -2.617 9.684 1.00 0.49 H new ATOM 0 HB2 MET A 1 -6.490 -4.658 10.436 1.00 0.80 H new ATOM 0 HB3 MET A 1 -8.153 -5.047 10.043 1.00 0.80 H new ATOM 0 HG2 MET A 1 -7.295 -5.662 7.665 1.00 1.26 H new ATOM 0 HG3 MET A 1 -5.677 -5.567 8.331 1.00 1.26 H new ATOM 0 HE1 MET A 1 -5.382 -8.216 10.950 1.00 2.88 H new ATOM 0 HE2 MET A 1 -4.897 -6.622 10.323 1.00 2.88 H new ATOM 0 HE3 MET A 1 -6.243 -6.751 11.479 1.00 2.88 H new ATOM 20 N VAL A 2 -4.939 -3.206 8.927 1.00 0.31 N ATOM 21 CA VAL A 2 -3.614 -2.848 8.336 1.00 0.24 C ATOM 22 C VAL A 2 -2.575 -3.891 8.753 1.00 0.23 C ATOM 23 O VAL A 2 -2.724 -4.564 9.753 1.00 0.27 O ATOM 24 CB VAL A 2 -3.186 -1.470 8.846 1.00 0.28 C ATOM 25 CG1 VAL A 2 -1.951 -0.999 8.076 1.00 0.37 C ATOM 26 CG2 VAL A 2 -4.326 -0.472 8.635 1.00 0.32 C ATOM 0 H VAL A 2 -4.897 -3.631 9.853 1.00 0.31 H new ATOM 0 HA VAL A 2 -3.692 -2.825 7.249 1.00 0.24 H new ATOM 0 HB VAL A 2 -2.949 -1.535 9.908 1.00 0.28 H new ATOM 0 HG11 VAL A 2 -1.647 -0.018 8.440 1.00 0.37 H new ATOM 0 HG12 VAL A 2 -1.137 -1.709 8.224 1.00 0.37 H new ATOM 0 HG13 VAL A 2 -2.187 -0.935 7.014 1.00 0.37 H new ATOM 0 HG21 VAL A 2 -4.022 0.510 8.998 1.00 0.32 H new ATOM 0 HG22 VAL A 2 -4.562 -0.409 7.573 1.00 0.32 H new ATOM 0 HG23 VAL A 2 -5.207 -0.805 9.184 1.00 0.32 H new ATOM 36 N LYS A 3 -1.520 -4.031 7.993 1.00 0.22 N ATOM 37 CA LYS A 3 -0.467 -5.030 8.344 1.00 0.25 C ATOM 38 C LYS A 3 0.887 -4.542 7.825 1.00 0.24 C ATOM 39 O LYS A 3 1.074 -4.342 6.641 1.00 0.26 O ATOM 40 CB LYS A 3 -0.806 -6.377 7.699 1.00 0.31 C ATOM 41 CG LYS A 3 0.100 -7.465 8.282 1.00 0.39 C ATOM 42 CD LYS A 3 -0.359 -8.836 7.780 1.00 0.88 C ATOM 43 CE LYS A 3 0.475 -9.930 8.450 1.00 0.95 C ATOM 44 NZ LYS A 3 0.094 -11.258 7.892 1.00 1.76 N ATOM 0 H LYS A 3 -1.342 -3.496 7.143 1.00 0.22 H new ATOM 0 HA LYS A 3 -0.422 -5.148 9.427 1.00 0.25 H new ATOM 0 HB2 LYS A 3 -1.852 -6.625 7.879 1.00 0.31 H new ATOM 0 HB3 LYS A 3 -0.673 -6.319 6.619 1.00 0.31 H new ATOM 0 HG2 LYS A 3 1.135 -7.287 7.989 1.00 0.39 H new ATOM 0 HG3 LYS A 3 0.067 -7.435 9.371 1.00 0.39 H new ATOM 0 HD2 LYS A 3 -1.416 -8.982 8.003 1.00 0.88 H new ATOM 0 HD3 LYS A 3 -0.251 -8.893 6.697 1.00 0.88 H new ATOM 0 HE2 LYS A 3 1.536 -9.745 8.285 1.00 0.95 H new ATOM 0 HE3 LYS A 3 0.313 -9.917 9.528 1.00 0.95 H new ATOM 0 HZ1 LYS A 3 0.661 -12.002 8.347 1.00 1.76 H new ATOM 0 HZ2 LYS A 3 -0.915 -11.433 8.071 1.00 1.76 H new ATOM 0 HZ3 LYS A 3 0.270 -11.267 6.867 1.00 1.76 H new ATOM 58 N GLN A 4 1.831 -4.345 8.704 1.00 0.25 N ATOM 59 CA GLN A 4 3.174 -3.866 8.267 1.00 0.27 C ATOM 60 C GLN A 4 3.996 -5.048 7.743 1.00 0.24 C ATOM 61 O GLN A 4 4.184 -6.037 8.422 1.00 0.23 O ATOM 62 CB GLN A 4 3.894 -3.223 9.459 1.00 0.32 C ATOM 63 CG GLN A 4 5.358 -2.942 9.096 1.00 0.34 C ATOM 64 CD GLN A 4 5.949 -1.934 10.084 1.00 0.42 C ATOM 65 OE1 GLN A 4 5.575 -1.907 11.239 1.00 0.99 O ATOM 66 NE2 GLN A 4 6.864 -1.099 9.675 1.00 0.83 N ATOM 0 H GLN A 4 1.730 -4.495 9.708 1.00 0.25 H new ATOM 0 HA GLN A 4 3.059 -3.130 7.471 1.00 0.27 H new ATOM 0 HB2 GLN A 4 3.395 -2.295 9.739 1.00 0.32 H new ATOM 0 HB3 GLN A 4 3.845 -3.884 10.324 1.00 0.32 H new ATOM 0 HG2 GLN A 4 5.933 -3.868 9.119 1.00 0.34 H new ATOM 0 HG3 GLN A 4 5.423 -2.551 8.080 1.00 0.34 H new ATOM 0 HE21 GLN A 4 7.178 -1.122 8.705 1.00 0.83 H new ATOM 0 HE22 GLN A 4 7.265 -0.423 10.325 1.00 0.83 H new ATOM 75 N ILE A 5 4.497 -4.944 6.541 1.00 0.24 N ATOM 76 CA ILE A 5 5.320 -6.050 5.969 1.00 0.23 C ATOM 77 C ILE A 5 6.784 -5.825 6.350 1.00 0.23 C ATOM 78 O ILE A 5 7.461 -4.989 5.785 1.00 0.25 O ATOM 79 CB ILE A 5 5.184 -6.045 4.443 1.00 0.26 C ATOM 80 CG1 ILE A 5 3.693 -5.963 4.040 1.00 0.27 C ATOM 81 CG2 ILE A 5 5.829 -7.310 3.862 1.00 0.29 C ATOM 82 CD1 ILE A 5 2.831 -6.898 4.902 1.00 0.26 C ATOM 0 H ILE A 5 4.371 -4.138 5.928 1.00 0.24 H new ATOM 0 HA ILE A 5 4.979 -7.009 6.360 1.00 0.23 H new ATOM 0 HB ILE A 5 5.697 -5.171 4.041 1.00 0.26 H new ATOM 0 HG12 ILE A 5 3.341 -4.937 4.148 1.00 0.27 H new ATOM 0 HG13 ILE A 5 3.583 -6.229 2.989 1.00 0.27 H new ATOM 0 HG21 ILE A 5 5.730 -7.303 2.776 1.00 0.29 H new ATOM 0 HG22 ILE A 5 6.885 -7.336 4.130 1.00 0.29 H new ATOM 0 HG23 ILE A 5 5.330 -8.191 4.266 1.00 0.29 H new ATOM 0 HD11 ILE A 5 1.788 -6.818 4.595 1.00 0.26 H new ATOM 0 HD12 ILE A 5 3.169 -7.926 4.773 1.00 0.26 H new ATOM 0 HD13 ILE A 5 2.923 -6.614 5.950 1.00 0.26 H new ATOM 94 N GLU A 6 7.275 -6.554 7.316 1.00 0.23 N ATOM 95 CA GLU A 6 8.693 -6.374 7.748 1.00 0.25 C ATOM 96 C GLU A 6 9.613 -7.294 6.941 1.00 0.25 C ATOM 97 O GLU A 6 10.821 -7.206 7.033 1.00 0.28 O ATOM 98 CB GLU A 6 8.813 -6.717 9.233 1.00 0.30 C ATOM 99 CG GLU A 6 7.735 -5.971 10.021 1.00 0.39 C ATOM 100 CD GLU A 6 7.837 -6.341 11.502 1.00 1.23 C ATOM 101 OE1 GLU A 6 8.873 -6.073 12.090 1.00 1.98 O ATOM 102 OE2 GLU A 6 6.878 -6.888 12.024 1.00 1.94 O ATOM 0 H GLU A 6 6.755 -7.268 7.826 1.00 0.23 H new ATOM 0 HA GLU A 6 8.989 -5.339 7.578 1.00 0.25 H new ATOM 0 HB2 GLU A 6 8.705 -7.792 9.378 1.00 0.30 H new ATOM 0 HB3 GLU A 6 9.802 -6.443 9.601 1.00 0.30 H new ATOM 0 HG2 GLU A 6 7.856 -4.895 9.895 1.00 0.39 H new ATOM 0 HG3 GLU A 6 6.747 -6.227 9.638 1.00 0.39 H new ATOM 109 N SER A 7 9.062 -8.178 6.152 1.00 0.24 N ATOM 110 CA SER A 7 9.928 -9.093 5.352 1.00 0.27 C ATOM 111 C SER A 7 9.137 -9.667 4.174 1.00 0.27 C ATOM 112 O SER A 7 7.923 -9.693 4.178 1.00 0.26 O ATOM 113 CB SER A 7 10.417 -10.235 6.242 1.00 0.32 C ATOM 114 OG SER A 7 9.330 -10.731 7.011 1.00 0.31 O ATOM 0 H SER A 7 8.058 -8.306 6.027 1.00 0.24 H new ATOM 0 HA SER A 7 10.782 -8.534 4.969 1.00 0.27 H new ATOM 0 HB2 SER A 7 10.838 -11.033 5.630 1.00 0.32 H new ATOM 0 HB3 SER A 7 11.212 -9.884 6.900 1.00 0.32 H new ATOM 0 HG SER A 7 9.641 -11.465 7.581 1.00 0.31 H new ATOM 120 N LYS A 8 9.826 -10.127 3.166 1.00 0.30 N ATOM 121 CA LYS A 8 9.132 -10.703 1.981 1.00 0.33 C ATOM 122 C LYS A 8 8.169 -11.804 2.433 1.00 0.33 C ATOM 123 O LYS A 8 7.160 -12.053 1.808 1.00 0.34 O ATOM 124 CB LYS A 8 10.172 -11.291 1.023 1.00 0.39 C ATOM 125 CG LYS A 8 9.539 -11.519 -0.352 1.00 0.43 C ATOM 126 CD LYS A 8 10.619 -11.954 -1.345 1.00 0.59 C ATOM 127 CE LYS A 8 10.059 -11.892 -2.767 1.00 1.06 C ATOM 128 NZ LYS A 8 9.583 -10.509 -3.054 1.00 1.96 N ATOM 0 H LYS A 8 10.845 -10.128 3.113 1.00 0.30 H new ATOM 0 HA LYS A 8 8.568 -9.921 1.473 1.00 0.33 H new ATOM 0 HB2 LYS A 8 11.022 -10.615 0.935 1.00 0.39 H new ATOM 0 HB3 LYS A 8 10.553 -12.232 1.419 1.00 0.39 H new ATOM 0 HG2 LYS A 8 8.763 -12.282 -0.285 1.00 0.43 H new ATOM 0 HG3 LYS A 8 9.058 -10.604 -0.699 1.00 0.43 H new ATOM 0 HD2 LYS A 8 11.491 -11.306 -1.257 1.00 0.59 H new ATOM 0 HD3 LYS A 8 10.951 -12.967 -1.117 1.00 0.59 H new ATOM 0 HE2 LYS A 8 10.827 -12.180 -3.485 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.238 -12.601 -2.877 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.522 -10.369 -4.083 1.00 1.96 H new ATOM 0 HZ2 LYS A 8 8.644 -10.370 -2.630 1.00 1.96 H new ATOM 0 HZ3 LYS A 8 10.250 -9.821 -2.650 1.00 1.96 H new ATOM 142 N THR A 9 8.470 -12.466 3.514 1.00 0.34 N ATOM 143 CA THR A 9 7.565 -13.545 3.996 1.00 0.37 C ATOM 144 C THR A 9 6.184 -12.953 4.290 1.00 0.34 C ATOM 145 O THR A 9 5.175 -13.434 3.813 1.00 0.35 O ATOM 146 CB THR A 9 8.138 -14.161 5.274 1.00 0.42 C ATOM 147 OG1 THR A 9 9.509 -14.475 5.073 1.00 0.46 O ATOM 148 CG2 THR A 9 7.366 -15.436 5.620 1.00 0.51 C ATOM 0 H THR A 9 9.301 -12.307 4.083 1.00 0.34 H new ATOM 0 HA THR A 9 7.477 -14.316 3.231 1.00 0.37 H new ATOM 0 HB THR A 9 8.044 -13.449 6.094 1.00 0.42 H new ATOM 0 HG1 THR A 9 9.878 -14.868 5.891 1.00 0.46 H new ATOM 0 HG21 THR A 9 7.775 -15.873 6.531 1.00 0.51 H new ATOM 0 HG22 THR A 9 6.315 -15.194 5.775 1.00 0.51 H new ATOM 0 HG23 THR A 9 7.457 -16.150 4.802 1.00 0.51 H new ATOM 156 N ALA A 10 6.133 -11.914 5.076 1.00 0.33 N ATOM 157 CA ALA A 10 4.823 -11.287 5.410 1.00 0.33 C ATOM 158 C ALA A 10 4.168 -10.729 4.138 1.00 0.30 C ATOM 159 O ALA A 10 2.972 -10.527 4.086 1.00 0.30 O ATOM 160 CB ALA A 10 5.049 -10.155 6.420 1.00 0.36 C ATOM 0 H ALA A 10 6.946 -11.470 5.503 1.00 0.33 H new ATOM 0 HA ALA A 10 4.162 -12.037 5.844 1.00 0.33 H new ATOM 0 HB1 ALA A 10 4.094 -9.693 6.668 1.00 0.36 H new ATOM 0 HB2 ALA A 10 5.502 -10.560 7.325 1.00 0.36 H new ATOM 0 HB3 ALA A 10 5.712 -9.407 5.986 1.00 0.36 H new ATOM 166 N PHE A 11 4.939 -10.471 3.116 1.00 0.31 N ATOM 167 CA PHE A 11 4.351 -9.919 1.859 1.00 0.30 C ATOM 168 C PHE A 11 3.352 -10.914 1.262 1.00 0.27 C ATOM 169 O PHE A 11 2.173 -10.642 1.169 1.00 0.26 O ATOM 170 CB PHE A 11 5.464 -9.653 0.843 1.00 0.33 C ATOM 171 CG PHE A 11 4.899 -8.911 -0.350 1.00 0.36 C ATOM 172 CD1 PHE A 11 4.486 -7.572 -0.217 1.00 0.41 C ATOM 173 CD2 PHE A 11 4.789 -9.560 -1.597 1.00 0.40 C ATOM 174 CE1 PHE A 11 3.961 -6.882 -1.328 1.00 0.47 C ATOM 175 CE2 PHE A 11 4.266 -8.870 -2.707 1.00 0.45 C ATOM 176 CZ PHE A 11 3.852 -7.531 -2.572 1.00 0.48 C ATOM 0 H PHE A 11 5.948 -10.618 3.096 1.00 0.31 H new ATOM 0 HA PHE A 11 3.835 -8.988 2.093 1.00 0.30 H new ATOM 0 HB2 PHE A 11 6.259 -9.067 1.305 1.00 0.33 H new ATOM 0 HB3 PHE A 11 5.908 -10.595 0.521 1.00 0.33 H new ATOM 0 HD1 PHE A 11 4.571 -7.073 0.737 1.00 0.41 H new ATOM 0 HD2 PHE A 11 5.106 -10.587 -1.701 1.00 0.40 H new ATOM 0 HE1 PHE A 11 3.642 -5.855 -1.225 1.00 0.47 H new ATOM 0 HE2 PHE A 11 4.182 -9.368 -3.662 1.00 0.45 H new ATOM 0 HZ PHE A 11 3.451 -7.002 -3.424 1.00 0.48 H new ATOM 186 N GLN A 12 3.815 -12.061 0.844 1.00 0.32 N ATOM 187 CA GLN A 12 2.890 -13.063 0.237 1.00 0.34 C ATOM 188 C GLN A 12 1.832 -13.487 1.260 1.00 0.29 C ATOM 189 O GLN A 12 0.666 -13.608 0.941 1.00 0.27 O ATOM 190 CB GLN A 12 3.692 -14.287 -0.223 1.00 0.45 C ATOM 191 CG GLN A 12 4.772 -14.616 0.809 1.00 0.65 C ATOM 192 CD GLN A 12 5.358 -15.997 0.510 1.00 0.94 C ATOM 193 OE1 GLN A 12 5.654 -16.753 1.414 1.00 1.61 O ATOM 194 NE2 GLN A 12 5.537 -16.362 -0.730 1.00 1.54 N ATOM 0 H GLN A 12 4.792 -12.348 0.896 1.00 0.32 H new ATOM 0 HA GLN A 12 2.389 -12.616 -0.622 1.00 0.34 H new ATOM 0 HB2 GLN A 12 3.027 -15.141 -0.352 1.00 0.45 H new ATOM 0 HB3 GLN A 12 4.150 -14.090 -1.192 1.00 0.45 H new ATOM 0 HG2 GLN A 12 5.558 -13.862 0.782 1.00 0.65 H new ATOM 0 HG3 GLN A 12 4.348 -14.598 1.813 1.00 0.65 H new ATOM 0 HE21 GLN A 12 5.289 -15.728 -1.489 1.00 1.54 H new ATOM 0 HE22 GLN A 12 5.925 -17.282 -0.940 1.00 1.54 H new ATOM 203 N GLU A 13 2.220 -13.715 2.485 1.00 0.32 N ATOM 204 CA GLU A 13 1.221 -14.131 3.510 1.00 0.33 C ATOM 205 C GLU A 13 0.147 -13.048 3.639 1.00 0.29 C ATOM 206 O GLU A 13 -1.015 -13.334 3.841 1.00 0.29 O ATOM 207 CB GLU A 13 1.918 -14.325 4.857 1.00 0.41 C ATOM 208 CG GLU A 13 2.912 -15.483 4.756 1.00 0.47 C ATOM 209 CD GLU A 13 3.564 -15.717 6.120 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.890 -14.740 6.774 1.00 2.13 O ATOM 211 OE2 GLU A 13 3.727 -16.869 6.486 1.00 1.95 O ATOM 0 H GLU A 13 3.180 -13.632 2.819 1.00 0.32 H new ATOM 0 HA GLU A 13 0.758 -15.070 3.207 1.00 0.33 H new ATOM 0 HB2 GLU A 13 2.437 -13.411 5.145 1.00 0.41 H new ATOM 0 HB3 GLU A 13 1.181 -14.531 5.633 1.00 0.41 H new ATOM 0 HG2 GLU A 13 2.401 -16.387 4.426 1.00 0.47 H new ATOM 0 HG3 GLU A 13 3.675 -15.258 4.011 1.00 0.47 H new ATOM 218 N ALA A 14 0.529 -11.806 3.522 1.00 0.28 N ATOM 219 CA ALA A 14 -0.469 -10.707 3.637 1.00 0.28 C ATOM 220 C ALA A 14 -1.384 -10.720 2.410 1.00 0.25 C ATOM 221 O ALA A 14 -2.564 -10.442 2.501 1.00 0.25 O ATOM 222 CB ALA A 14 0.257 -9.363 3.719 1.00 0.31 C ATOM 0 H ALA A 14 1.489 -11.505 3.352 1.00 0.28 H new ATOM 0 HA ALA A 14 -1.066 -10.851 4.538 1.00 0.28 H new ATOM 0 HB1 ALA A 14 -0.474 -8.559 3.803 1.00 0.31 H new ATOM 0 HB2 ALA A 14 0.908 -9.354 4.593 1.00 0.31 H new ATOM 0 HB3 ALA A 14 0.855 -9.217 2.819 1.00 0.31 H new ATOM 228 N LEU A 15 -0.851 -11.043 1.262 1.00 0.25 N ATOM 229 CA LEU A 15 -1.695 -11.075 0.033 1.00 0.25 C ATOM 230 C LEU A 15 -2.675 -12.246 0.120 1.00 0.26 C ATOM 231 O LEU A 15 -3.848 -12.107 -0.160 1.00 0.26 O ATOM 232 CB LEU A 15 -0.802 -11.252 -1.200 1.00 0.29 C ATOM 233 CG LEU A 15 0.111 -10.029 -1.375 1.00 0.29 C ATOM 234 CD1 LEU A 15 1.081 -10.292 -2.532 1.00 0.32 C ATOM 235 CD2 LEU A 15 -0.730 -8.771 -1.679 1.00 0.41 C ATOM 0 H LEU A 15 0.130 -11.285 1.122 1.00 0.25 H new ATOM 0 HA LEU A 15 -2.248 -10.139 -0.050 1.00 0.25 H new ATOM 0 HB2 LEU A 15 -0.198 -12.153 -1.094 1.00 0.29 H new ATOM 0 HB3 LEU A 15 -1.419 -11.384 -2.089 1.00 0.29 H new ATOM 0 HG LEU A 15 0.668 -9.861 -0.453 1.00 0.29 H new ATOM 0 HD11 LEU A 15 1.733 -9.429 -2.663 1.00 0.32 H new ATOM 0 HD12 LEU A 15 1.684 -11.172 -2.308 1.00 0.32 H new ATOM 0 HD13 LEU A 15 0.516 -10.463 -3.449 1.00 0.32 H new ATOM 0 HD21 LEU A 15 -0.070 -7.912 -1.800 1.00 0.41 H new ATOM 0 HD22 LEU A 15 -1.297 -8.925 -2.597 1.00 0.41 H new ATOM 0 HD23 LEU A 15 -1.418 -8.585 -0.854 1.00 0.41 H new ATOM 247 N ASP A 16 -2.203 -13.399 0.507 1.00 0.28 N ATOM 248 CA ASP A 16 -3.112 -14.576 0.612 1.00 0.30 C ATOM 249 C ASP A 16 -4.100 -14.355 1.760 1.00 0.30 C ATOM 250 O ASP A 16 -5.223 -14.817 1.723 1.00 0.31 O ATOM 251 CB ASP A 16 -2.287 -15.836 0.884 1.00 0.35 C ATOM 252 CG ASP A 16 -3.194 -17.065 0.812 1.00 0.43 C ATOM 253 OD1 ASP A 16 -3.460 -17.517 -0.289 1.00 1.12 O ATOM 254 OD2 ASP A 16 -3.607 -17.535 1.860 1.00 1.15 O ATOM 0 H ASP A 16 -1.230 -13.577 0.755 1.00 0.28 H new ATOM 0 HA ASP A 16 -3.660 -14.696 -0.322 1.00 0.30 H new ATOM 0 HB2 ASP A 16 -1.482 -15.921 0.154 1.00 0.35 H new ATOM 0 HB3 ASP A 16 -1.820 -15.773 1.867 1.00 0.35 H new ATOM 259 N ALA A 17 -3.689 -13.652 2.779 1.00 0.31 N ATOM 260 CA ALA A 17 -4.605 -13.401 3.928 1.00 0.33 C ATOM 261 C ALA A 17 -5.718 -12.445 3.495 1.00 0.30 C ATOM 262 O ALA A 17 -6.832 -12.517 3.973 1.00 0.32 O ATOM 263 CB ALA A 17 -3.817 -12.779 5.083 1.00 0.39 C ATOM 0 H ALA A 17 -2.760 -13.241 2.866 1.00 0.31 H new ATOM 0 HA ALA A 17 -5.044 -14.344 4.255 1.00 0.33 H new ATOM 0 HB1 ALA A 17 -4.487 -12.595 5.923 1.00 0.39 H new ATOM 0 HB2 ALA A 17 -3.025 -13.461 5.392 1.00 0.39 H new ATOM 0 HB3 ALA A 17 -3.377 -11.837 4.757 1.00 0.39 H new ATOM 269 N ALA A 18 -5.424 -11.548 2.594 1.00 0.29 N ATOM 270 CA ALA A 18 -6.465 -10.587 2.131 1.00 0.28 C ATOM 271 C ALA A 18 -7.605 -11.357 1.461 1.00 0.26 C ATOM 272 O ALA A 18 -8.762 -11.006 1.588 1.00 0.30 O ATOM 273 CB ALA A 18 -5.849 -9.612 1.126 1.00 0.29 C ATOM 0 H ALA A 18 -4.508 -11.439 2.158 1.00 0.29 H new ATOM 0 HA ALA A 18 -6.853 -10.031 2.985 1.00 0.28 H new ATOM 0 HB1 ALA A 18 -6.610 -8.909 0.787 1.00 0.29 H new ATOM 0 HB2 ALA A 18 -5.036 -9.064 1.602 1.00 0.29 H new ATOM 0 HB3 ALA A 18 -5.462 -10.167 0.271 1.00 0.29 H new ATOM 279 N GLY A 19 -7.290 -12.403 0.747 1.00 0.25 N ATOM 280 CA GLY A 19 -8.357 -13.196 0.070 1.00 0.26 C ATOM 281 C GLY A 19 -8.739 -12.519 -1.248 1.00 0.24 C ATOM 282 O GLY A 19 -7.925 -12.373 -2.138 1.00 0.28 O ATOM 0 H GLY A 19 -6.339 -12.744 0.603 1.00 0.25 H new ATOM 0 HA2 GLY A 19 -8.006 -14.211 -0.119 1.00 0.26 H new ATOM 0 HA3 GLY A 19 -9.231 -13.276 0.717 1.00 0.26 H new ATOM 286 N ASP A 20 -9.977 -12.107 -1.378 1.00 0.21 N ATOM 287 CA ASP A 20 -10.438 -11.436 -2.636 1.00 0.21 C ATOM 288 C ASP A 20 -10.763 -9.970 -2.342 1.00 0.18 C ATOM 289 O ASP A 20 -11.298 -9.265 -3.173 1.00 0.20 O ATOM 290 CB ASP A 20 -11.697 -12.138 -3.150 1.00 0.25 C ATOM 291 CG ASP A 20 -11.423 -13.636 -3.298 1.00 1.43 C ATOM 292 OD1 ASP A 20 -10.262 -14.004 -3.343 1.00 2.11 O ATOM 293 OD2 ASP A 20 -12.382 -14.388 -3.367 1.00 2.28 O ATOM 0 H ASP A 20 -10.695 -12.208 -0.660 1.00 0.21 H new ATOM 0 HA ASP A 20 -9.651 -11.492 -3.388 1.00 0.21 H new ATOM 0 HB2 ASP A 20 -12.524 -11.976 -2.459 1.00 0.25 H new ATOM 0 HB3 ASP A 20 -11.995 -11.716 -4.110 1.00 0.25 H new ATOM 298 N LYS A 21 -10.439 -9.505 -1.166 1.00 0.17 N ATOM 299 CA LYS A 21 -10.726 -8.084 -0.824 1.00 0.18 C ATOM 300 C LYS A 21 -9.697 -7.184 -1.515 1.00 0.16 C ATOM 301 O LYS A 21 -8.657 -7.636 -1.949 1.00 0.16 O ATOM 302 CB LYS A 21 -10.639 -7.896 0.697 1.00 0.19 C ATOM 303 CG LYS A 21 -11.936 -8.378 1.354 1.00 0.23 C ATOM 304 CD LYS A 21 -11.774 -8.369 2.874 1.00 0.31 C ATOM 305 CE LYS A 21 -12.981 -9.049 3.521 1.00 0.56 C ATOM 306 NZ LYS A 21 -12.953 -10.508 3.212 1.00 1.59 N ATOM 0 H LYS A 21 -9.989 -10.047 -0.429 1.00 0.17 H new ATOM 0 HA LYS A 21 -11.728 -7.819 -1.161 1.00 0.18 H new ATOM 0 HB2 LYS A 21 -9.791 -8.454 1.094 1.00 0.19 H new ATOM 0 HB3 LYS A 21 -10.469 -6.846 0.934 1.00 0.19 H new ATOM 0 HG2 LYS A 21 -12.765 -7.733 1.063 1.00 0.23 H new ATOM 0 HG3 LYS A 21 -12.178 -9.383 1.010 1.00 0.23 H new ATOM 0 HD2 LYS A 21 -10.857 -8.887 3.155 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -11.684 -7.344 3.234 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -12.964 -8.894 4.600 1.00 0.56 H new ATOM 0 HE3 LYS A 21 -13.905 -8.605 3.150 1.00 0.56 H new ATOM 0 HZ1 LYS A 21 -13.502 -11.025 3.928 1.00 1.59 H new ATOM 0 HZ2 LYS A 21 -13.368 -10.672 2.272 1.00 1.59 H new ATOM 0 HZ3 LYS A 21 -11.969 -10.846 3.220 1.00 1.59 H new ATOM 320 N LEU A 22 -9.982 -5.916 -1.623 1.00 0.16 N ATOM 321 CA LEU A 22 -9.018 -4.993 -2.288 1.00 0.16 C ATOM 322 C LEU A 22 -7.711 -4.981 -1.482 1.00 0.15 C ATOM 323 O LEU A 22 -7.703 -5.257 -0.298 1.00 0.17 O ATOM 324 CB LEU A 22 -9.641 -3.574 -2.349 1.00 0.19 C ATOM 325 CG LEU A 22 -9.569 -3.003 -3.775 1.00 0.20 C ATOM 326 CD1 LEU A 22 -10.322 -1.669 -3.830 1.00 0.22 C ATOM 327 CD2 LEU A 22 -8.104 -2.773 -4.166 1.00 0.28 C ATOM 0 H LEU A 22 -10.838 -5.479 -1.281 1.00 0.16 H new ATOM 0 HA LEU A 22 -8.803 -5.324 -3.304 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -10.680 -3.614 -2.021 1.00 0.19 H new ATOM 0 HB3 LEU A 22 -9.115 -2.912 -1.661 1.00 0.19 H new ATOM 0 HG LEU A 22 -10.024 -3.710 -4.469 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -10.271 -1.264 -4.841 1.00 0.22 H new ATOM 0 HD12 LEU A 22 -11.365 -1.828 -3.555 1.00 0.22 H new ATOM 0 HD13 LEU A 22 -9.866 -0.965 -3.134 1.00 0.22 H new ATOM 0 HD21 LEU A 22 -8.056 -2.368 -5.177 1.00 0.28 H new ATOM 0 HD22 LEU A 22 -7.648 -2.068 -3.471 1.00 0.28 H new ATOM 0 HD23 LEU A 22 -7.564 -3.719 -4.128 1.00 0.28 H new ATOM 339 N VAL A 23 -6.607 -4.667 -2.111 1.00 0.14 N ATOM 340 CA VAL A 23 -5.306 -4.643 -1.374 1.00 0.15 C ATOM 341 C VAL A 23 -4.406 -3.549 -1.952 1.00 0.14 C ATOM 342 O VAL A 23 -3.715 -3.752 -2.929 1.00 0.16 O ATOM 343 CB VAL A 23 -4.609 -5.998 -1.525 1.00 0.18 C ATOM 344 CG1 VAL A 23 -3.465 -6.099 -0.516 1.00 0.23 C ATOM 345 CG2 VAL A 23 -5.611 -7.125 -1.269 1.00 0.19 C ATOM 0 H VAL A 23 -6.550 -4.427 -3.101 1.00 0.14 H new ATOM 0 HA VAL A 23 -5.495 -4.441 -0.320 1.00 0.15 H new ATOM 0 HB VAL A 23 -4.214 -6.088 -2.537 1.00 0.18 H new ATOM 0 HG11 VAL A 23 -2.969 -7.064 -0.624 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -2.747 -5.299 -0.699 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -3.862 -6.006 0.495 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -5.111 -8.088 -1.377 1.00 0.19 H new ATOM 0 HG22 VAL A 23 -6.010 -7.035 -0.259 1.00 0.19 H new ATOM 0 HG23 VAL A 23 -6.427 -7.057 -1.988 1.00 0.19 H new ATOM 355 N VAL A 24 -4.407 -2.389 -1.346 1.00 0.13 N ATOM 356 CA VAL A 24 -3.550 -1.269 -1.846 1.00 0.13 C ATOM 357 C VAL A 24 -2.282 -1.187 -0.995 1.00 0.13 C ATOM 358 O VAL A 24 -2.337 -0.970 0.200 1.00 0.14 O ATOM 359 CB VAL A 24 -4.323 0.046 -1.734 1.00 0.13 C ATOM 360 CG1 VAL A 24 -3.551 1.155 -2.449 1.00 0.16 C ATOM 361 CG2 VAL A 24 -5.700 -0.117 -2.383 1.00 0.16 C ATOM 0 H VAL A 24 -4.967 -2.168 -0.523 1.00 0.13 H new ATOM 0 HA VAL A 24 -3.281 -1.447 -2.887 1.00 0.13 H new ATOM 0 HB VAL A 24 -4.444 0.308 -0.683 1.00 0.13 H new ATOM 0 HG11 VAL A 24 -4.102 2.092 -2.369 1.00 0.16 H new ATOM 0 HG12 VAL A 24 -2.570 1.271 -1.988 1.00 0.16 H new ATOM 0 HG13 VAL A 24 -3.430 0.894 -3.500 1.00 0.16 H new ATOM 0 HG21 VAL A 24 -6.253 0.819 -2.304 1.00 0.16 H new ATOM 0 HG22 VAL A 24 -5.578 -0.379 -3.434 1.00 0.16 H new ATOM 0 HG23 VAL A 24 -6.251 -0.907 -1.874 1.00 0.16 H new ATOM 371 N VAL A 25 -1.135 -1.360 -1.600 1.00 0.13 N ATOM 372 CA VAL A 25 0.143 -1.294 -0.828 1.00 0.13 C ATOM 373 C VAL A 25 0.731 0.113 -0.945 1.00 0.14 C ATOM 374 O VAL A 25 0.753 0.696 -2.010 1.00 0.25 O ATOM 375 CB VAL A 25 1.139 -2.307 -1.399 1.00 0.14 C ATOM 376 CG1 VAL A 25 2.321 -2.455 -0.439 1.00 0.17 C ATOM 377 CG2 VAL A 25 0.452 -3.664 -1.567 1.00 0.15 C ATOM 0 H VAL A 25 -1.028 -1.545 -2.597 1.00 0.13 H new ATOM 0 HA VAL A 25 -0.052 -1.526 0.219 1.00 0.13 H new ATOM 0 HB VAL A 25 1.495 -1.957 -2.368 1.00 0.14 H new ATOM 0 HG11 VAL A 25 3.031 -3.176 -0.844 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.813 -1.490 -0.317 1.00 0.17 H new ATOM 0 HG13 VAL A 25 1.962 -2.804 0.529 1.00 0.17 H new ATOM 0 HG21 VAL A 25 1.163 -4.384 -1.974 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.095 -4.014 -0.598 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.392 -3.563 -2.249 1.00 0.15 H new ATOM 387 N ASP A 26 1.208 0.658 0.146 1.00 0.14 N ATOM 388 CA ASP A 26 1.801 2.033 0.121 1.00 0.14 C ATOM 389 C ASP A 26 3.313 1.934 0.327 1.00 0.14 C ATOM 390 O ASP A 26 3.782 1.572 1.388 1.00 0.14 O ATOM 391 CB ASP A 26 1.190 2.868 1.249 1.00 0.15 C ATOM 392 CG ASP A 26 1.893 4.225 1.320 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.345 4.691 0.288 1.00 1.08 O ATOM 394 OD2 ASP A 26 1.965 4.776 2.407 1.00 1.07 O ATOM 0 H ASP A 26 1.213 0.207 1.061 1.00 0.14 H new ATOM 0 HA ASP A 26 1.592 2.505 -0.839 1.00 0.14 H new ATOM 0 HB2 ASP A 26 0.123 3.008 1.075 1.00 0.15 H new ATOM 0 HB3 ASP A 26 1.292 2.344 2.199 1.00 0.15 H new ATOM 399 N PHE A 27 4.080 2.260 -0.681 1.00 0.14 N ATOM 400 CA PHE A 27 5.568 2.195 -0.555 1.00 0.15 C ATOM 401 C PHE A 27 6.109 3.604 -0.311 1.00 0.15 C ATOM 402 O PHE A 27 6.163 4.422 -1.207 1.00 0.20 O ATOM 403 CB PHE A 27 6.161 1.643 -1.854 1.00 0.17 C ATOM 404 CG PHE A 27 5.721 0.210 -2.044 1.00 0.17 C ATOM 405 CD1 PHE A 27 6.310 -0.814 -1.277 1.00 0.16 C ATOM 406 CD2 PHE A 27 4.723 -0.105 -2.987 1.00 0.21 C ATOM 407 CE1 PHE A 27 5.903 -2.151 -1.455 1.00 0.18 C ATOM 408 CE2 PHE A 27 4.316 -1.442 -3.164 1.00 0.22 C ATOM 409 CZ PHE A 27 4.906 -2.464 -2.398 1.00 0.20 C ATOM 0 H PHE A 27 3.738 2.570 -1.591 1.00 0.14 H new ATOM 0 HA PHE A 27 5.841 1.545 0.276 1.00 0.15 H new ATOM 0 HB2 PHE A 27 5.836 2.249 -2.700 1.00 0.17 H new ATOM 0 HB3 PHE A 27 7.249 1.699 -1.821 1.00 0.17 H new ATOM 0 HD1 PHE A 27 7.074 -0.574 -0.552 1.00 0.16 H new ATOM 0 HD2 PHE A 27 4.269 0.679 -3.575 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.356 -2.936 -0.868 1.00 0.18 H new ATOM 0 HE2 PHE A 27 3.551 -1.682 -3.888 1.00 0.22 H new ATOM 0 HZ PHE A 27 4.594 -3.489 -2.534 1.00 0.20 H new ATOM 419 N SER A 28 6.504 3.897 0.901 1.00 0.16 N ATOM 420 CA SER A 28 7.037 5.257 1.214 1.00 0.16 C ATOM 421 C SER A 28 8.187 5.137 2.216 1.00 0.16 C ATOM 422 O SER A 28 8.430 4.087 2.778 1.00 0.21 O ATOM 423 CB SER A 28 5.923 6.111 1.821 1.00 0.19 C ATOM 424 OG SER A 28 4.772 6.037 0.992 1.00 1.03 O ATOM 0 H SER A 28 6.480 3.251 1.690 1.00 0.16 H new ATOM 0 HA SER A 28 7.400 5.725 0.299 1.00 0.16 H new ATOM 0 HB2 SER A 28 5.686 5.760 2.825 1.00 0.19 H new ATOM 0 HB3 SER A 28 6.252 7.146 1.915 1.00 0.19 H new ATOM 0 HG SER A 28 4.055 6.582 1.378 1.00 1.03 H new ATOM 430 N ALA A 29 8.900 6.210 2.439 1.00 0.23 N ATOM 431 CA ALA A 29 10.042 6.176 3.403 1.00 0.25 C ATOM 432 C ALA A 29 9.561 6.668 4.775 1.00 0.26 C ATOM 433 O ALA A 29 9.418 7.851 5.006 1.00 0.27 O ATOM 434 CB ALA A 29 11.170 7.082 2.872 1.00 0.29 C ATOM 0 H ALA A 29 8.740 7.113 1.993 1.00 0.23 H new ATOM 0 HA ALA A 29 10.419 5.159 3.507 1.00 0.25 H new ATOM 0 HB1 ALA A 29 12.009 7.065 3.568 1.00 0.29 H new ATOM 0 HB2 ALA A 29 11.499 6.720 1.898 1.00 0.29 H new ATOM 0 HB3 ALA A 29 10.801 8.103 2.774 1.00 0.29 H new ATOM 440 N THR A 30 9.314 5.768 5.688 1.00 0.29 N ATOM 441 CA THR A 30 8.850 6.192 7.038 1.00 0.33 C ATOM 442 C THR A 30 9.871 7.160 7.644 1.00 0.35 C ATOM 443 O THR A 30 9.535 8.019 8.436 1.00 0.38 O ATOM 444 CB THR A 30 8.700 4.960 7.941 1.00 0.39 C ATOM 445 OG1 THR A 30 8.013 5.329 9.128 1.00 0.47 O ATOM 446 CG2 THR A 30 10.080 4.398 8.304 1.00 0.39 C ATOM 0 H THR A 30 9.413 4.761 5.557 1.00 0.29 H new ATOM 0 HA THR A 30 7.885 6.691 6.953 1.00 0.33 H new ATOM 0 HB THR A 30 8.135 4.195 7.409 1.00 0.39 H new ATOM 0 HG1 THR A 30 7.914 4.544 9.706 1.00 0.47 H new ATOM 0 HG21 THR A 30 9.960 3.524 8.945 1.00 0.39 H new ATOM 0 HG22 THR A 30 10.607 4.111 7.394 1.00 0.39 H new ATOM 0 HG23 THR A 30 10.655 5.159 8.832 1.00 0.39 H new ATOM 454 N TRP A 31 11.116 7.024 7.278 1.00 0.36 N ATOM 455 CA TRP A 31 12.162 7.929 7.829 1.00 0.40 C ATOM 456 C TRP A 31 12.052 9.301 7.157 1.00 0.39 C ATOM 457 O TRP A 31 12.390 10.315 7.734 1.00 0.46 O ATOM 458 CB TRP A 31 13.542 7.327 7.555 1.00 0.43 C ATOM 459 CG TRP A 31 13.713 7.119 6.085 1.00 0.39 C ATOM 460 CD1 TRP A 31 13.279 6.038 5.396 1.00 0.35 C ATOM 461 CD2 TRP A 31 14.353 7.994 5.114 1.00 0.43 C ATOM 462 NE1 TRP A 31 13.618 6.189 4.063 1.00 0.38 N ATOM 463 CE2 TRP A 31 14.279 7.380 3.835 1.00 0.42 C ATOM 464 CE3 TRP A 31 14.987 9.253 5.216 1.00 0.51 C ATOM 465 CZ2 TRP A 31 14.818 7.993 2.694 1.00 0.50 C ATOM 466 CZ3 TRP A 31 15.530 9.875 4.072 1.00 0.58 C ATOM 467 CH2 TRP A 31 15.446 9.245 2.813 1.00 0.57 C ATOM 0 H TRP A 31 11.454 6.323 6.619 1.00 0.36 H new ATOM 0 HA TRP A 31 12.023 8.044 8.904 1.00 0.40 H new ATOM 0 HB2 TRP A 31 14.321 7.990 7.932 1.00 0.43 H new ATOM 0 HB3 TRP A 31 13.648 6.379 8.082 1.00 0.43 H new ATOM 0 HD1 TRP A 31 12.753 5.194 5.818 1.00 0.35 H new ATOM 0 HE1 TRP A 31 13.406 5.504 3.337 1.00 0.38 H new ATOM 0 HE3 TRP A 31 15.056 9.742 6.176 1.00 0.51 H new ATOM 0 HZ2 TRP A 31 14.751 7.507 1.732 1.00 0.50 H new ATOM 0 HZ3 TRP A 31 16.012 10.837 4.161 1.00 0.58 H new ATOM 0 HH2 TRP A 31 15.864 9.724 1.940 1.00 0.57 H new ATOM 478 N CYS A 32 11.578 9.337 5.941 1.00 0.33 N ATOM 479 CA CYS A 32 11.440 10.641 5.231 1.00 0.35 C ATOM 480 C CYS A 32 10.350 11.472 5.917 1.00 0.34 C ATOM 481 O CYS A 32 9.593 10.970 6.724 1.00 0.33 O ATOM 482 CB CYS A 32 11.068 10.372 3.767 1.00 0.33 C ATOM 483 SG CYS A 32 10.340 11.851 3.014 1.00 0.36 S ATOM 0 H CYS A 32 11.280 8.520 5.408 1.00 0.33 H new ATOM 0 HA CYS A 32 12.379 11.194 5.264 1.00 0.35 H new ATOM 0 HB2 CYS A 32 11.955 10.072 3.209 1.00 0.33 H new ATOM 0 HB3 CYS A 32 10.362 9.544 3.712 1.00 0.33 H new ATOM 488 N GLY A 33 10.274 12.743 5.610 1.00 0.38 N ATOM 489 CA GLY A 33 9.242 13.626 6.247 1.00 0.39 C ATOM 490 C GLY A 33 8.094 13.897 5.263 1.00 0.36 C ATOM 491 O GLY A 33 6.999 13.406 5.456 1.00 0.32 O ATOM 0 H GLY A 33 10.885 13.212 4.942 1.00 0.38 H new ATOM 0 HA2 GLY A 33 8.854 13.152 7.148 1.00 0.39 H new ATOM 0 HA3 GLY A 33 9.698 14.568 6.553 1.00 0.39 H new ATOM 495 N PRO A 34 8.365 14.674 4.234 1.00 0.39 N ATOM 496 CA PRO A 34 7.338 15.008 3.229 1.00 0.39 C ATOM 497 C PRO A 34 6.694 13.725 2.686 1.00 0.33 C ATOM 498 O PRO A 34 5.605 13.749 2.145 1.00 0.33 O ATOM 499 CB PRO A 34 8.100 15.781 2.123 1.00 0.47 C ATOM 500 CG PRO A 34 9.571 15.954 2.605 1.00 0.51 C ATOM 501 CD PRO A 34 9.694 15.270 3.986 1.00 0.47 C ATOM 0 HA PRO A 34 6.523 15.605 3.639 1.00 0.39 H new ATOM 0 HB2 PRO A 34 8.067 15.235 1.180 1.00 0.47 H new ATOM 0 HB3 PRO A 34 7.638 16.752 1.945 1.00 0.47 H new ATOM 0 HG2 PRO A 34 10.263 15.505 1.892 1.00 0.51 H new ATOM 0 HG3 PRO A 34 9.829 17.011 2.677 1.00 0.51 H new ATOM 0 HD2 PRO A 34 10.474 14.509 3.982 1.00 0.47 H new ATOM 0 HD3 PRO A 34 9.955 15.990 4.762 1.00 0.47 H new ATOM 509 N CYS A 35 7.353 12.608 2.828 1.00 0.30 N ATOM 510 CA CYS A 35 6.772 11.333 2.322 1.00 0.27 C ATOM 511 C CYS A 35 5.760 10.800 3.342 1.00 0.23 C ATOM 512 O CYS A 35 4.610 10.564 3.028 1.00 0.24 O ATOM 513 CB CYS A 35 7.890 10.308 2.114 1.00 0.27 C ATOM 514 SG CYS A 35 9.338 11.138 1.409 1.00 0.35 S ATOM 0 H CYS A 35 8.267 12.523 3.272 1.00 0.30 H new ATOM 0 HA CYS A 35 6.269 11.510 1.371 1.00 0.27 H new ATOM 0 HB2 CYS A 35 8.151 9.840 3.063 1.00 0.27 H new ATOM 0 HB3 CYS A 35 7.552 9.514 1.449 1.00 0.27 H new ATOM 519 N LYS A 36 6.182 10.615 4.563 1.00 0.25 N ATOM 520 CA LYS A 36 5.249 10.108 5.610 1.00 0.28 C ATOM 521 C LYS A 36 4.169 11.156 5.871 1.00 0.27 C ATOM 522 O LYS A 36 3.218 10.915 6.580 1.00 0.30 O ATOM 523 CB LYS A 36 6.031 9.848 6.900 1.00 0.37 C ATOM 524 CG LYS A 36 5.140 9.119 7.909 1.00 0.46 C ATOM 525 CD LYS A 36 6.000 8.589 9.060 1.00 0.58 C ATOM 526 CE LYS A 36 6.780 9.743 9.694 1.00 1.19 C ATOM 527 NZ LYS A 36 5.910 10.951 9.778 1.00 2.00 N ATOM 0 H LYS A 36 7.134 10.793 4.882 1.00 0.25 H new ATOM 0 HA LYS A 36 4.784 9.181 5.273 1.00 0.28 H new ATOM 0 HB2 LYS A 36 6.917 9.250 6.685 1.00 0.37 H new ATOM 0 HB3 LYS A 36 6.378 10.791 7.322 1.00 0.37 H new ATOM 0 HG2 LYS A 36 4.377 9.797 8.293 1.00 0.46 H new ATOM 0 HG3 LYS A 36 4.619 8.295 7.421 1.00 0.46 H new ATOM 0 HD2 LYS A 36 5.368 8.110 9.808 1.00 0.58 H new ATOM 0 HD3 LYS A 36 6.690 7.830 8.692 1.00 0.58 H new ATOM 0 HE2 LYS A 36 7.123 9.460 10.689 1.00 1.19 H new ATOM 0 HE3 LYS A 36 7.668 9.963 9.102 1.00 1.19 H new ATOM 0 HZ1 LYS A 36 6.235 11.559 10.557 1.00 2.00 H new ATOM 0 HZ2 LYS A 36 5.961 11.478 8.883 1.00 2.00 H new ATOM 0 HZ3 LYS A 36 4.927 10.659 9.953 1.00 2.00 H new ATOM 541 N MET A 37 4.310 12.320 5.301 1.00 0.27 N ATOM 542 CA MET A 37 3.290 13.383 5.520 1.00 0.30 C ATOM 543 C MET A 37 1.973 12.977 4.849 1.00 0.26 C ATOM 544 O MET A 37 0.931 13.542 5.116 1.00 0.29 O ATOM 545 CB MET A 37 3.793 14.700 4.916 1.00 0.35 C ATOM 546 CG MET A 37 2.738 15.803 5.094 1.00 1.04 C ATOM 547 SD MET A 37 1.573 15.749 3.710 1.00 1.97 S ATOM 548 CE MET A 37 0.394 16.958 4.361 1.00 2.37 C ATOM 0 H MET A 37 5.087 12.581 4.694 1.00 0.27 H new ATOM 0 HA MET A 37 3.122 13.514 6.589 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.725 14.997 5.398 1.00 0.35 H new ATOM 0 HB3 MET A 37 4.011 14.563 3.857 1.00 0.35 H new ATOM 0 HG2 MET A 37 2.207 15.665 6.036 1.00 1.04 H new ATOM 0 HG3 MET A 37 3.221 16.779 5.140 1.00 1.04 H new ATOM 0 HE1 MET A 37 -0.426 17.084 3.654 1.00 2.37 H new ATOM 0 HE2 MET A 37 -0.000 16.605 5.314 1.00 2.37 H new ATOM 0 HE3 MET A 37 0.897 17.914 4.508 1.00 2.37 H new ATOM 558 N ILE A 38 2.010 12.002 3.976 1.00 0.23 N ATOM 559 CA ILE A 38 0.759 11.562 3.284 1.00 0.23 C ATOM 560 C ILE A 38 0.144 10.373 4.032 1.00 0.21 C ATOM 561 O ILE A 38 -0.580 9.581 3.463 1.00 0.23 O ATOM 562 CB ILE A 38 1.094 11.149 1.841 1.00 0.28 C ATOM 563 CG1 ILE A 38 2.127 12.122 1.265 1.00 0.37 C ATOM 564 CG2 ILE A 38 -0.174 11.186 0.975 1.00 0.36 C ATOM 565 CD1 ILE A 38 2.380 11.789 -0.207 1.00 0.42 C ATOM 0 H ILE A 38 2.853 11.491 3.712 1.00 0.23 H new ATOM 0 HA ILE A 38 0.043 12.384 3.271 1.00 0.23 H new ATOM 0 HB ILE A 38 1.497 10.136 1.843 1.00 0.28 H new ATOM 0 HG12 ILE A 38 1.769 13.147 1.360 1.00 0.37 H new ATOM 0 HG13 ILE A 38 3.058 12.056 1.829 1.00 0.37 H new ATOM 0 HG21 ILE A 38 0.073 10.892 -0.045 1.00 0.36 H new ATOM 0 HG22 ILE A 38 -0.913 10.496 1.382 1.00 0.36 H new ATOM 0 HG23 ILE A 38 -0.583 12.196 0.972 1.00 0.36 H new ATOM 0 HD11 ILE A 38 3.115 12.482 -0.616 1.00 0.42 H new ATOM 0 HD12 ILE A 38 2.757 10.770 -0.290 1.00 0.42 H new ATOM 0 HD13 ILE A 38 1.448 11.878 -0.765 1.00 0.42 H new ATOM 577 N LYS A 39 0.417 10.237 5.308 1.00 0.24 N ATOM 578 CA LYS A 39 -0.172 9.098 6.075 1.00 0.28 C ATOM 579 C LYS A 39 -1.561 9.447 6.673 1.00 0.28 C ATOM 580 O LYS A 39 -2.339 8.541 6.899 1.00 0.31 O ATOM 581 CB LYS A 39 0.806 8.617 7.174 1.00 0.35 C ATOM 582 CG LYS A 39 0.904 9.600 8.357 1.00 0.36 C ATOM 583 CD LYS A 39 1.542 8.894 9.564 1.00 0.44 C ATOM 584 CE LYS A 39 0.619 7.788 10.109 1.00 0.82 C ATOM 585 NZ LYS A 39 1.035 6.474 9.541 1.00 0.70 N ATOM 0 H LYS A 39 1.018 10.861 5.846 1.00 0.24 H new ATOM 0 HA LYS A 39 -0.330 8.281 5.372 1.00 0.28 H new ATOM 0 HB2 LYS A 39 0.482 7.644 7.542 1.00 0.35 H new ATOM 0 HB3 LYS A 39 1.796 8.480 6.739 1.00 0.35 H new ATOM 0 HG2 LYS A 39 1.500 10.467 8.074 1.00 0.36 H new ATOM 0 HG3 LYS A 39 -0.088 9.967 8.621 1.00 0.36 H new ATOM 0 HD2 LYS A 39 2.500 8.462 9.273 1.00 0.44 H new ATOM 0 HD3 LYS A 39 1.746 9.622 10.349 1.00 0.44 H new ATOM 0 HE2 LYS A 39 0.670 7.759 11.197 1.00 0.82 H new ATOM 0 HE3 LYS A 39 -0.417 8.000 9.844 1.00 0.82 H new ATOM 0 HZ1 LYS A 39 0.226 6.032 9.060 1.00 0.70 H new ATOM 0 HZ2 LYS A 39 1.806 6.619 8.859 1.00 0.70 H new ATOM 0 HZ3 LYS A 39 1.364 5.853 10.308 1.00 0.70 H new ATOM 599 N PRO A 40 -1.874 10.718 6.924 1.00 0.28 N ATOM 600 CA PRO A 40 -3.192 11.062 7.490 1.00 0.32 C ATOM 601 C PRO A 40 -4.260 10.887 6.404 1.00 0.29 C ATOM 602 O PRO A 40 -5.414 11.218 6.595 1.00 0.32 O ATOM 603 CB PRO A 40 -3.071 12.540 7.927 1.00 0.37 C ATOM 604 CG PRO A 40 -1.697 13.062 7.419 1.00 0.35 C ATOM 605 CD PRO A 40 -0.997 11.891 6.690 1.00 0.28 C ATOM 0 HA PRO A 40 -3.478 10.430 8.331 1.00 0.32 H new ATOM 0 HB2 PRO A 40 -3.885 13.132 7.509 1.00 0.37 H new ATOM 0 HB3 PRO A 40 -3.138 12.627 9.011 1.00 0.37 H new ATOM 0 HG2 PRO A 40 -1.833 13.907 6.744 1.00 0.35 H new ATOM 0 HG3 PRO A 40 -1.088 13.414 8.252 1.00 0.35 H new ATOM 0 HD2 PRO A 40 -0.888 12.097 5.625 1.00 0.28 H new ATOM 0 HD3 PRO A 40 0.004 11.721 7.086 1.00 0.28 H new ATOM 613 N PHE A 41 -3.870 10.374 5.263 1.00 0.24 N ATOM 614 CA PHE A 41 -4.835 10.168 4.136 1.00 0.23 C ATOM 615 C PHE A 41 -4.958 8.671 3.827 1.00 0.20 C ATOM 616 O PHE A 41 -5.986 8.061 4.044 1.00 0.20 O ATOM 617 CB PHE A 41 -4.310 10.900 2.894 1.00 0.24 C ATOM 618 CG PHE A 41 -4.607 12.377 3.013 1.00 0.29 C ATOM 619 CD1 PHE A 41 -5.824 12.887 2.523 1.00 0.35 C ATOM 620 CD2 PHE A 41 -3.670 13.240 3.611 1.00 0.31 C ATOM 621 CE1 PHE A 41 -6.104 14.264 2.632 1.00 0.40 C ATOM 622 CE2 PHE A 41 -3.950 14.616 3.719 1.00 0.36 C ATOM 623 CZ PHE A 41 -5.167 15.127 3.230 1.00 0.39 C ATOM 0 H PHE A 41 -2.913 10.085 5.061 1.00 0.24 H new ATOM 0 HA PHE A 41 -5.814 10.558 4.415 1.00 0.23 H new ATOM 0 HB2 PHE A 41 -3.236 10.742 2.793 1.00 0.24 H new ATOM 0 HB3 PHE A 41 -4.778 10.496 1.996 1.00 0.24 H new ATOM 0 HD1 PHE A 41 -6.542 12.224 2.064 1.00 0.35 H new ATOM 0 HD2 PHE A 41 -2.737 12.847 3.987 1.00 0.31 H new ATOM 0 HE1 PHE A 41 -7.037 14.657 2.257 1.00 0.40 H new ATOM 0 HE2 PHE A 41 -3.231 15.279 4.177 1.00 0.36 H new ATOM 0 HZ PHE A 41 -5.382 16.182 3.314 1.00 0.39 H new ATOM 633 N PHE A 42 -3.915 8.083 3.307 1.00 0.18 N ATOM 634 CA PHE A 42 -3.959 6.634 2.959 1.00 0.17 C ATOM 635 C PHE A 42 -4.238 5.790 4.211 1.00 0.17 C ATOM 636 O PHE A 42 -5.230 5.094 4.292 1.00 0.17 O ATOM 637 CB PHE A 42 -2.608 6.231 2.351 1.00 0.17 C ATOM 638 CG PHE A 42 -2.528 4.727 2.202 1.00 0.17 C ATOM 639 CD1 PHE A 42 -3.014 4.109 1.034 1.00 0.19 C ATOM 640 CD2 PHE A 42 -1.962 3.946 3.229 1.00 0.21 C ATOM 641 CE1 PHE A 42 -2.934 2.709 0.893 1.00 0.21 C ATOM 642 CE2 PHE A 42 -1.885 2.547 3.088 1.00 0.23 C ATOM 643 CZ PHE A 42 -2.370 1.929 1.920 1.00 0.21 C ATOM 0 H PHE A 42 -3.029 8.547 3.107 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.760 6.458 2.241 1.00 0.17 H new ATOM 0 HB2 PHE A 42 -2.482 6.707 1.378 1.00 0.17 H new ATOM 0 HB3 PHE A 42 -1.796 6.584 2.986 1.00 0.17 H new ATOM 0 HD1 PHE A 42 -3.448 4.707 0.247 1.00 0.19 H new ATOM 0 HD2 PHE A 42 -1.587 4.420 4.124 1.00 0.21 H new ATOM 0 HE1 PHE A 42 -3.306 2.235 -0.003 1.00 0.21 H new ATOM 0 HE2 PHE A 42 -1.454 1.948 3.876 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.309 0.856 1.812 1.00 0.21 H new ATOM 653 N HIS A 43 -3.363 5.835 5.175 1.00 0.20 N ATOM 654 CA HIS A 43 -3.560 5.024 6.412 1.00 0.23 C ATOM 655 C HIS A 43 -4.797 5.522 7.177 1.00 0.23 C ATOM 656 O HIS A 43 -5.139 5.002 8.220 1.00 0.26 O ATOM 657 CB HIS A 43 -2.288 5.135 7.276 1.00 0.27 C ATOM 658 CG HIS A 43 -2.567 4.765 8.712 1.00 0.31 C ATOM 659 ND1 HIS A 43 -3.096 5.482 9.758 1.00 0.37 N flip ATOM 660 CD2 HIS A 43 -2.305 3.501 9.215 1.00 0.34 C flip ATOM 661 CE1 HIS A 43 -3.165 4.676 10.890 1.00 0.42 C flip ATOM 662 NE2 HIS A 43 -2.675 3.494 10.508 1.00 0.40 N flip ATOM 0 H HIS A 43 -2.515 6.401 5.161 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.730 3.978 6.157 1.00 0.23 H new ATOM 0 HB2 HIS A 43 -1.514 4.481 6.874 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -1.901 6.153 7.229 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -1.881 2.672 8.668 1.00 0.34 H new ATOM 0 HE1 HIS A 43 -3.535 4.948 11.867 1.00 0.42 H new ATOM 0 HE2 HIS A 43 -2.591 2.684 11.122 1.00 0.40 H new ATOM 670 N SER A 44 -5.473 6.518 6.670 1.00 0.21 N ATOM 671 CA SER A 44 -6.685 7.040 7.377 1.00 0.22 C ATOM 672 C SER A 44 -7.943 6.324 6.878 1.00 0.19 C ATOM 673 O SER A 44 -8.898 6.153 7.609 1.00 0.19 O ATOM 674 CB SER A 44 -6.817 8.534 7.105 1.00 0.26 C ATOM 675 OG SER A 44 -7.399 8.729 5.822 1.00 0.56 O ATOM 0 H SER A 44 -5.241 6.994 5.798 1.00 0.21 H new ATOM 0 HA SER A 44 -6.577 6.861 8.447 1.00 0.22 H new ATOM 0 HB2 SER A 44 -7.434 9.002 7.872 1.00 0.26 H new ATOM 0 HB3 SER A 44 -5.838 9.011 7.149 1.00 0.26 H new ATOM 0 HG SER A 44 -6.908 8.202 5.157 1.00 0.56 H new ATOM 681 N LEU A 45 -7.961 5.910 5.640 1.00 0.20 N ATOM 682 CA LEU A 45 -9.170 5.217 5.111 1.00 0.19 C ATOM 683 C LEU A 45 -9.454 3.967 5.944 1.00 0.20 C ATOM 684 O LEU A 45 -10.514 3.381 5.857 1.00 0.23 O ATOM 685 CB LEU A 45 -8.937 4.816 3.651 1.00 0.22 C ATOM 686 CG LEU A 45 -8.320 5.986 2.882 1.00 0.28 C ATOM 687 CD1 LEU A 45 -8.259 5.639 1.393 1.00 0.32 C ATOM 688 CD2 LEU A 45 -9.174 7.245 3.079 1.00 0.37 C ATOM 0 H LEU A 45 -7.195 6.021 4.975 1.00 0.20 H new ATOM 0 HA LEU A 45 -10.024 5.892 5.170 1.00 0.19 H new ATOM 0 HB2 LEU A 45 -8.277 3.950 3.604 1.00 0.22 H new ATOM 0 HB3 LEU A 45 -9.880 4.524 3.190 1.00 0.22 H new ATOM 0 HG LEU A 45 -7.313 6.173 3.256 1.00 0.28 H new ATOM 0 HD11 LEU A 45 -7.820 6.471 0.843 1.00 0.32 H new ATOM 0 HD12 LEU A 45 -7.648 4.748 1.252 1.00 0.32 H new ATOM 0 HD13 LEU A 45 -9.266 5.450 1.022 1.00 0.32 H new ATOM 0 HD21 LEU A 45 -8.730 8.075 2.529 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -10.183 7.062 2.708 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -9.217 7.493 4.139 1.00 0.37 H new ATOM 700 N SER A 46 -8.523 3.555 6.756 1.00 0.22 N ATOM 701 CA SER A 46 -8.758 2.347 7.593 1.00 0.27 C ATOM 702 C SER A 46 -9.983 2.581 8.484 1.00 0.27 C ATOM 703 O SER A 46 -10.710 1.665 8.810 1.00 0.32 O ATOM 704 CB SER A 46 -7.533 2.086 8.469 1.00 0.32 C ATOM 705 OG SER A 46 -6.376 2.007 7.648 1.00 0.41 O ATOM 0 H SER A 46 -7.613 4.000 6.876 1.00 0.22 H new ATOM 0 HA SER A 46 -8.932 1.485 6.950 1.00 0.27 H new ATOM 0 HB2 SER A 46 -7.419 2.885 9.202 1.00 0.32 H new ATOM 0 HB3 SER A 46 -7.661 1.158 9.026 1.00 0.32 H new ATOM 0 HG SER A 46 -6.595 1.534 6.818 1.00 0.41 H new ATOM 711 N GLU A 47 -10.208 3.805 8.885 1.00 0.27 N ATOM 712 CA GLU A 47 -11.379 4.108 9.763 1.00 0.32 C ATOM 713 C GLU A 47 -12.614 4.424 8.914 1.00 0.29 C ATOM 714 O GLU A 47 -13.734 4.181 9.321 1.00 0.33 O ATOM 715 CB GLU A 47 -11.050 5.315 10.644 1.00 0.39 C ATOM 716 CG GLU A 47 -9.800 5.017 11.473 1.00 0.50 C ATOM 717 CD GLU A 47 -10.117 3.932 12.504 1.00 1.42 C ATOM 718 OE1 GLU A 47 -11.004 4.152 13.311 1.00 2.04 O ATOM 719 OE2 GLU A 47 -9.467 2.900 12.468 1.00 2.22 O ATOM 0 H GLU A 47 -9.631 4.610 8.642 1.00 0.27 H new ATOM 0 HA GLU A 47 -11.590 3.238 10.385 1.00 0.32 H new ATOM 0 HB2 GLU A 47 -10.887 6.197 10.025 1.00 0.39 H new ATOM 0 HB3 GLU A 47 -11.890 5.539 11.301 1.00 0.39 H new ATOM 0 HG2 GLU A 47 -8.989 4.689 10.822 1.00 0.50 H new ATOM 0 HG3 GLU A 47 -9.460 5.922 11.975 1.00 0.50 H new ATOM 726 N LYS A 48 -12.428 4.970 7.742 1.00 0.26 N ATOM 727 CA LYS A 48 -13.601 5.305 6.882 1.00 0.27 C ATOM 728 C LYS A 48 -14.042 4.063 6.105 1.00 0.24 C ATOM 729 O LYS A 48 -15.197 3.684 6.128 1.00 0.29 O ATOM 730 CB LYS A 48 -13.211 6.409 5.897 1.00 0.30 C ATOM 731 CG LYS A 48 -14.474 6.985 5.252 1.00 0.37 C ATOM 732 CD LYS A 48 -14.098 8.137 4.309 1.00 1.00 C ATOM 733 CE LYS A 48 -13.518 9.317 5.105 1.00 1.39 C ATOM 734 NZ LYS A 48 -13.763 10.582 4.357 1.00 2.11 N ATOM 0 H LYS A 48 -11.517 5.198 7.343 1.00 0.26 H new ATOM 0 HA LYS A 48 -14.423 5.649 7.510 1.00 0.27 H new ATOM 0 HB2 LYS A 48 -12.662 7.196 6.414 1.00 0.30 H new ATOM 0 HB3 LYS A 48 -12.548 6.009 5.130 1.00 0.30 H new ATOM 0 HG2 LYS A 48 -14.998 6.206 4.698 1.00 0.37 H new ATOM 0 HG3 LYS A 48 -15.157 7.342 6.023 1.00 0.37 H new ATOM 0 HD2 LYS A 48 -13.369 7.792 3.576 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -14.978 8.462 3.754 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -13.980 9.368 6.091 1.00 1.39 H new ATOM 0 HE3 LYS A 48 -12.449 9.175 5.262 1.00 1.39 H new ATOM 0 HZ1 LYS A 48 -13.372 11.383 4.892 1.00 2.11 H new ATOM 0 HZ2 LYS A 48 -13.302 10.530 3.426 1.00 2.11 H new ATOM 0 HZ3 LYS A 48 -14.786 10.717 4.230 1.00 2.11 H new ATOM 748 N TYR A 49 -13.128 3.427 5.420 1.00 0.27 N ATOM 749 CA TYR A 49 -13.471 2.201 4.632 1.00 0.26 C ATOM 750 C TYR A 49 -12.888 0.978 5.340 1.00 0.26 C ATOM 751 O TYR A 49 -11.828 0.497 4.996 1.00 0.27 O ATOM 752 CB TYR A 49 -12.859 2.315 3.234 1.00 0.29 C ATOM 753 CG TYR A 49 -13.600 3.365 2.441 1.00 0.30 C ATOM 754 CD1 TYR A 49 -14.802 3.034 1.790 1.00 0.38 C ATOM 755 CD2 TYR A 49 -13.088 4.675 2.353 1.00 0.32 C ATOM 756 CE1 TYR A 49 -15.494 4.012 1.049 1.00 0.43 C ATOM 757 CE2 TYR A 49 -13.780 5.652 1.612 1.00 0.36 C ATOM 758 CZ TYR A 49 -14.983 5.321 0.960 1.00 0.39 C ATOM 759 OH TYR A 49 -15.660 6.278 0.233 1.00 0.45 O ATOM 0 H TYR A 49 -12.148 3.706 5.371 1.00 0.27 H new ATOM 0 HA TYR A 49 -14.553 2.101 4.551 1.00 0.26 H new ATOM 0 HB2 TYR A 49 -11.804 2.578 3.308 1.00 0.29 H new ATOM 0 HB3 TYR A 49 -12.913 1.354 2.723 1.00 0.29 H new ATOM 0 HD1 TYR A 49 -15.194 2.030 1.858 1.00 0.38 H new ATOM 0 HD2 TYR A 49 -12.165 4.929 2.854 1.00 0.32 H new ATOM 0 HE1 TYR A 49 -16.417 3.758 0.549 1.00 0.43 H new ATOM 0 HE2 TYR A 49 -13.388 6.656 1.544 1.00 0.36 H new ATOM 0 HH TYR A 49 -15.172 7.127 0.275 1.00 0.45 H new ATOM 769 N SER A 50 -13.572 0.475 6.334 1.00 0.29 N ATOM 770 CA SER A 50 -13.056 -0.711 7.075 1.00 0.32 C ATOM 771 C SER A 50 -13.125 -1.958 6.189 1.00 0.30 C ATOM 772 O SER A 50 -12.673 -3.020 6.567 1.00 0.39 O ATOM 773 CB SER A 50 -13.903 -0.932 8.328 1.00 0.39 C ATOM 774 OG SER A 50 -15.239 -1.233 7.945 1.00 0.49 O ATOM 0 H SER A 50 -14.467 0.836 6.664 1.00 0.29 H new ATOM 0 HA SER A 50 -12.018 -0.532 7.356 1.00 0.32 H new ATOM 0 HB2 SER A 50 -13.490 -1.748 8.921 1.00 0.39 H new ATOM 0 HB3 SER A 50 -13.884 -0.041 8.955 1.00 0.39 H new ATOM 0 HG SER A 50 -15.784 -1.377 8.746 1.00 0.49 H new ATOM 780 N ASN A 51 -13.684 -1.841 5.011 1.00 0.26 N ATOM 781 CA ASN A 51 -13.782 -3.026 4.101 1.00 0.27 C ATOM 782 C ASN A 51 -12.649 -2.973 3.076 1.00 0.25 C ATOM 783 O ASN A 51 -12.787 -3.437 1.962 1.00 0.38 O ATOM 784 CB ASN A 51 -15.126 -2.996 3.368 1.00 0.31 C ATOM 785 CG ASN A 51 -15.384 -4.357 2.718 1.00 0.36 C ATOM 786 OD1 ASN A 51 -15.250 -5.383 3.354 1.00 0.60 O ATOM 787 ND2 ASN A 51 -15.751 -4.409 1.467 1.00 0.55 N ATOM 0 H ASN A 51 -14.077 -0.977 4.639 1.00 0.26 H new ATOM 0 HA ASN A 51 -13.705 -3.942 4.687 1.00 0.27 H new ATOM 0 HB2 ASN A 51 -15.928 -2.757 4.067 1.00 0.31 H new ATOM 0 HB3 ASN A 51 -15.121 -2.214 2.609 1.00 0.31 H new ATOM 0 HD21 ASN A 51 -15.925 -5.311 1.024 1.00 0.55 H new ATOM 0 HD22 ASN A 51 -15.864 -3.548 0.932 1.00 0.55 H new ATOM 794 N VAL A 52 -11.526 -2.410 3.447 1.00 0.23 N ATOM 795 CA VAL A 52 -10.366 -2.319 2.506 1.00 0.23 C ATOM 796 C VAL A 52 -9.096 -2.773 3.226 1.00 0.22 C ATOM 797 O VAL A 52 -8.894 -2.483 4.387 1.00 0.27 O ATOM 798 CB VAL A 52 -10.201 -0.871 2.044 1.00 0.23 C ATOM 799 CG1 VAL A 52 -8.969 -0.757 1.145 1.00 0.27 C ATOM 800 CG2 VAL A 52 -11.442 -0.446 1.260 1.00 0.25 C ATOM 0 H VAL A 52 -11.362 -2.006 4.369 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.543 -2.958 1.641 1.00 0.23 H new ATOM 0 HB VAL A 52 -10.077 -0.224 2.913 1.00 0.23 H new ATOM 0 HG11 VAL A 52 -8.853 0.276 0.816 1.00 0.27 H new ATOM 0 HG12 VAL A 52 -8.083 -1.063 1.701 1.00 0.27 H new ATOM 0 HG13 VAL A 52 -9.092 -1.403 0.275 1.00 0.27 H new ATOM 0 HG21 VAL A 52 -11.328 0.586 0.929 1.00 0.25 H new ATOM 0 HG22 VAL A 52 -11.564 -1.094 0.392 1.00 0.25 H new ATOM 0 HG23 VAL A 52 -12.321 -0.527 1.899 1.00 0.25 H new ATOM 810 N ILE A 53 -8.238 -3.490 2.547 1.00 0.17 N ATOM 811 CA ILE A 53 -6.975 -3.972 3.190 1.00 0.18 C ATOM 812 C ILE A 53 -5.827 -3.035 2.798 1.00 0.16 C ATOM 813 O ILE A 53 -5.518 -2.876 1.632 1.00 0.16 O ATOM 814 CB ILE A 53 -6.667 -5.397 2.695 1.00 0.20 C ATOM 815 CG1 ILE A 53 -7.969 -6.222 2.638 1.00 0.22 C ATOM 816 CG2 ILE A 53 -5.639 -6.077 3.618 1.00 0.24 C ATOM 817 CD1 ILE A 53 -8.702 -6.184 3.984 1.00 0.24 C ATOM 0 H ILE A 53 -8.357 -3.764 1.572 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.088 -3.980 4.274 1.00 0.18 H new ATOM 0 HB ILE A 53 -6.240 -5.339 1.694 1.00 0.20 H new ATOM 0 HG12 ILE A 53 -8.618 -5.830 1.855 1.00 0.22 H new ATOM 0 HG13 ILE A 53 -7.739 -7.254 2.374 1.00 0.22 H new ATOM 0 HG21 ILE A 53 -5.433 -7.083 3.254 1.00 0.24 H new ATOM 0 HG22 ILE A 53 -4.716 -5.497 3.624 1.00 0.24 H new ATOM 0 HG23 ILE A 53 -6.040 -6.133 4.630 1.00 0.24 H new ATOM 0 HD11 ILE A 53 -9.617 -6.773 3.917 1.00 0.24 H new ATOM 0 HD12 ILE A 53 -8.059 -6.599 4.760 1.00 0.24 H new ATOM 0 HD13 ILE A 53 -8.952 -5.153 4.233 1.00 0.24 H new ATOM 829 N PHE A 54 -5.196 -2.410 3.765 1.00 0.16 N ATOM 830 CA PHE A 54 -4.065 -1.471 3.466 1.00 0.15 C ATOM 831 C PHE A 54 -2.758 -2.043 4.015 1.00 0.15 C ATOM 832 O PHE A 54 -2.660 -2.387 5.177 1.00 0.18 O ATOM 833 CB PHE A 54 -4.332 -0.123 4.139 1.00 0.17 C ATOM 834 CG PHE A 54 -5.653 0.438 3.666 1.00 0.17 C ATOM 835 CD1 PHE A 54 -5.739 1.080 2.416 1.00 0.18 C ATOM 836 CD2 PHE A 54 -6.796 0.327 4.480 1.00 0.17 C ATOM 837 CE1 PHE A 54 -6.968 1.610 1.979 1.00 0.19 C ATOM 838 CE2 PHE A 54 -8.024 0.859 4.045 1.00 0.18 C ATOM 839 CZ PHE A 54 -8.111 1.500 2.794 1.00 0.19 C ATOM 0 H PHE A 54 -5.417 -2.511 4.756 1.00 0.16 H new ATOM 0 HA PHE A 54 -3.986 -1.342 2.387 1.00 0.15 H new ATOM 0 HB2 PHE A 54 -4.346 -0.244 5.222 1.00 0.17 H new ATOM 0 HB3 PHE A 54 -3.527 0.574 3.907 1.00 0.17 H new ATOM 0 HD1 PHE A 54 -4.862 1.166 1.792 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -6.731 -0.166 5.438 1.00 0.17 H new ATOM 0 HE1 PHE A 54 -7.034 2.101 1.019 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -8.900 0.776 4.671 1.00 0.18 H new ATOM 0 HZ PHE A 54 -9.054 1.907 2.460 1.00 0.19 H new ATOM 849 N LEU A 55 -1.748 -2.136 3.186 1.00 0.14 N ATOM 850 CA LEU A 55 -0.425 -2.673 3.639 1.00 0.15 C ATOM 851 C LEU A 55 0.579 -1.518 3.707 1.00 0.16 C ATOM 852 O LEU A 55 0.647 -0.695 2.815 1.00 0.17 O ATOM 853 CB LEU A 55 0.075 -3.718 2.630 1.00 0.17 C ATOM 854 CG LEU A 55 -0.604 -5.070 2.882 1.00 0.19 C ATOM 855 CD1 LEU A 55 -2.116 -4.963 2.627 1.00 0.22 C ATOM 856 CD2 LEU A 55 0.003 -6.112 1.937 1.00 0.23 C ATOM 0 H LEU A 55 -1.783 -1.860 2.205 1.00 0.14 H new ATOM 0 HA LEU A 55 -0.530 -3.136 4.620 1.00 0.15 H new ATOM 0 HB2 LEU A 55 -0.135 -3.382 1.614 1.00 0.17 H new ATOM 0 HB3 LEU A 55 1.156 -3.826 2.713 1.00 0.17 H new ATOM 0 HG LEU A 55 -0.445 -5.367 3.919 1.00 0.19 H new ATOM 0 HD11 LEU A 55 -2.585 -5.930 2.810 1.00 0.22 H new ATOM 0 HD12 LEU A 55 -2.546 -4.219 3.297 1.00 0.22 H new ATOM 0 HD13 LEU A 55 -2.290 -4.665 1.593 1.00 0.22 H new ATOM 0 HD21 LEU A 55 -0.472 -7.078 2.107 1.00 0.23 H new ATOM 0 HD22 LEU A 55 -0.159 -5.805 0.904 1.00 0.23 H new ATOM 0 HD23 LEU A 55 1.073 -6.196 2.127 1.00 0.23 H new ATOM 868 N GLU A 56 1.360 -1.453 4.759 1.00 0.18 N ATOM 869 CA GLU A 56 2.372 -0.355 4.899 1.00 0.20 C ATOM 870 C GLU A 56 3.777 -0.956 4.831 1.00 0.21 C ATOM 871 O GLU A 56 4.229 -1.604 5.754 1.00 0.35 O ATOM 872 CB GLU A 56 2.182 0.338 6.250 1.00 0.23 C ATOM 873 CG GLU A 56 3.105 1.557 6.330 1.00 0.28 C ATOM 874 CD GLU A 56 2.944 2.230 7.694 1.00 0.42 C ATOM 875 OE1 GLU A 56 1.838 2.637 8.005 1.00 1.17 O ATOM 876 OE2 GLU A 56 3.932 2.326 8.405 1.00 1.25 O ATOM 0 H GLU A 56 1.340 -2.118 5.532 1.00 0.18 H new ATOM 0 HA GLU A 56 2.243 0.370 4.095 1.00 0.20 H new ATOM 0 HB2 GLU A 56 1.143 0.646 6.370 1.00 0.23 H new ATOM 0 HB3 GLU A 56 2.405 -0.355 7.061 1.00 0.23 H new ATOM 0 HG2 GLU A 56 4.141 1.252 6.183 1.00 0.28 H new ATOM 0 HG3 GLU A 56 2.864 2.262 5.534 1.00 0.28 H new ATOM 883 N VAL A 57 4.468 -0.748 3.737 1.00 0.16 N ATOM 884 CA VAL A 57 5.850 -1.307 3.586 1.00 0.17 C ATOM 885 C VAL A 57 6.878 -0.180 3.695 1.00 0.15 C ATOM 886 O VAL A 57 6.757 0.848 3.058 1.00 0.16 O ATOM 887 CB VAL A 57 5.979 -1.966 2.212 1.00 0.20 C ATOM 888 CG1 VAL A 57 7.274 -2.778 2.157 1.00 0.26 C ATOM 889 CG2 VAL A 57 4.784 -2.890 1.976 1.00 0.23 C ATOM 0 H VAL A 57 4.133 -0.212 2.937 1.00 0.16 H new ATOM 0 HA VAL A 57 6.029 -2.041 4.371 1.00 0.17 H new ATOM 0 HB VAL A 57 6.000 -1.197 1.439 1.00 0.20 H new ATOM 0 HG11 VAL A 57 7.367 -3.248 1.178 1.00 0.26 H new ATOM 0 HG12 VAL A 57 8.125 -2.118 2.325 1.00 0.26 H new ATOM 0 HG13 VAL A 57 7.254 -3.547 2.929 1.00 0.26 H new ATOM 0 HG21 VAL A 57 4.875 -3.360 0.997 1.00 0.23 H new ATOM 0 HG22 VAL A 57 4.761 -3.660 2.747 1.00 0.23 H new ATOM 0 HG23 VAL A 57 3.862 -2.310 2.015 1.00 0.23 H new ATOM 899 N ASP A 58 7.895 -0.369 4.494 1.00 0.16 N ATOM 900 CA ASP A 58 8.946 0.683 4.645 1.00 0.17 C ATOM 901 C ASP A 58 10.122 0.347 3.724 1.00 0.16 C ATOM 902 O ASP A 58 10.791 -0.652 3.895 1.00 0.17 O ATOM 903 CB ASP A 58 9.423 0.715 6.101 1.00 0.20 C ATOM 904 CG ASP A 58 10.173 2.021 6.369 1.00 0.24 C ATOM 905 OD1 ASP A 58 9.767 3.036 5.827 1.00 1.11 O ATOM 906 OD2 ASP A 58 11.139 1.983 7.113 1.00 1.10 O ATOM 0 H ASP A 58 8.044 -1.210 5.051 1.00 0.16 H new ATOM 0 HA ASP A 58 8.539 1.658 4.377 1.00 0.17 H new ATOM 0 HB2 ASP A 58 8.571 0.629 6.775 1.00 0.20 H new ATOM 0 HB3 ASP A 58 10.074 -0.137 6.299 1.00 0.20 H new ATOM 911 N VAL A 59 10.370 1.166 2.739 1.00 0.16 N ATOM 912 CA VAL A 59 11.495 0.886 1.797 1.00 0.17 C ATOM 913 C VAL A 59 12.838 0.923 2.537 1.00 0.19 C ATOM 914 O VAL A 59 13.887 0.869 1.924 1.00 0.22 O ATOM 915 CB VAL A 59 11.497 1.931 0.678 1.00 0.18 C ATOM 916 CG1 VAL A 59 10.262 1.738 -0.203 1.00 0.19 C ATOM 917 CG2 VAL A 59 11.471 3.335 1.286 1.00 0.22 C ATOM 0 H VAL A 59 9.843 2.017 2.544 1.00 0.16 H new ATOM 0 HA VAL A 59 11.357 -0.108 1.372 1.00 0.17 H new ATOM 0 HB VAL A 59 12.398 1.812 0.076 1.00 0.18 H new ATOM 0 HG11 VAL A 59 10.263 2.482 -1.000 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.279 0.739 -0.639 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.362 1.855 0.401 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.472 4.077 0.488 1.00 0.22 H new ATOM 0 HG22 VAL A 59 10.571 3.453 1.890 1.00 0.22 H new ATOM 0 HG23 VAL A 59 12.351 3.476 1.914 1.00 0.22 H new ATOM 927 N ASP A 60 12.820 1.012 3.848 1.00 0.19 N ATOM 928 CA ASP A 60 14.098 1.050 4.635 1.00 0.21 C ATOM 929 C ASP A 60 14.187 -0.201 5.511 1.00 0.22 C ATOM 930 O ASP A 60 15.236 -0.795 5.656 1.00 0.25 O ATOM 931 CB ASP A 60 14.115 2.300 5.524 1.00 0.24 C ATOM 932 CG ASP A 60 14.473 3.526 4.679 1.00 0.26 C ATOM 933 OD1 ASP A 60 13.955 3.635 3.581 1.00 1.04 O ATOM 934 OD2 ASP A 60 15.260 4.332 5.147 1.00 1.02 O ATOM 0 H ASP A 60 11.970 1.060 4.410 1.00 0.19 H new ATOM 0 HA ASP A 60 14.948 1.081 3.953 1.00 0.21 H new ATOM 0 HB2 ASP A 60 13.140 2.440 5.991 1.00 0.24 H new ATOM 0 HB3 ASP A 60 14.839 2.176 6.329 1.00 0.24 H new ATOM 939 N ASP A 61 13.092 -0.609 6.094 1.00 0.22 N ATOM 940 CA ASP A 61 13.113 -1.824 6.957 1.00 0.25 C ATOM 941 C ASP A 61 12.893 -3.065 6.090 1.00 0.21 C ATOM 942 O ASP A 61 13.518 -4.089 6.285 1.00 0.22 O ATOM 943 CB ASP A 61 11.995 -1.726 7.997 1.00 0.31 C ATOM 944 CG ASP A 61 12.187 -2.809 9.060 1.00 0.37 C ATOM 945 OD1 ASP A 61 13.328 -3.101 9.379 1.00 1.11 O ATOM 946 OD2 ASP A 61 11.192 -3.327 9.537 1.00 1.17 O ATOM 0 H ASP A 61 12.184 -0.153 6.010 1.00 0.22 H new ATOM 0 HA ASP A 61 14.076 -1.898 7.462 1.00 0.25 H new ATOM 0 HB2 ASP A 61 12.003 -0.740 8.462 1.00 0.31 H new ATOM 0 HB3 ASP A 61 11.025 -1.843 7.515 1.00 0.31 H new ATOM 951 N ALA A 62 12.009 -2.977 5.127 1.00 0.20 N ATOM 952 CA ALA A 62 11.735 -4.144 4.230 1.00 0.19 C ATOM 953 C ALA A 62 12.405 -3.911 2.875 1.00 0.19 C ATOM 954 O ALA A 62 11.777 -3.999 1.839 1.00 0.18 O ATOM 955 CB ALA A 62 10.224 -4.282 4.030 1.00 0.23 C ATOM 0 H ALA A 62 11.461 -2.141 4.922 1.00 0.20 H new ATOM 0 HA ALA A 62 12.131 -5.054 4.681 1.00 0.19 H new ATOM 0 HB1 ALA A 62 10.019 -5.131 3.377 1.00 0.23 H new ATOM 0 HB2 ALA A 62 9.742 -4.442 4.995 1.00 0.23 H new ATOM 0 HB3 ALA A 62 9.833 -3.372 3.575 1.00 0.23 H new ATOM 961 N GLN A 63 13.677 -3.615 2.872 1.00 0.23 N ATOM 962 CA GLN A 63 14.383 -3.377 1.582 1.00 0.25 C ATOM 963 C GLN A 63 14.239 -4.610 0.689 1.00 0.23 C ATOM 964 O GLN A 63 14.493 -4.561 -0.498 1.00 0.24 O ATOM 965 CB GLN A 63 15.865 -3.108 1.852 1.00 0.31 C ATOM 966 CG GLN A 63 16.443 -4.238 2.708 1.00 1.06 C ATOM 967 CD GLN A 63 17.937 -3.998 2.929 1.00 1.56 C ATOM 968 OE1 GLN A 63 18.762 -4.754 2.455 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.322 -2.971 3.636 1.00 2.19 N ATOM 0 H GLN A 63 14.257 -3.528 3.707 1.00 0.23 H new ATOM 0 HA GLN A 63 13.945 -2.513 1.081 1.00 0.25 H new ATOM 0 HB2 GLN A 63 16.410 -3.036 0.911 1.00 0.31 H new ATOM 0 HB3 GLN A 63 15.985 -2.153 2.363 1.00 0.31 H new ATOM 0 HG2 GLN A 63 15.926 -4.284 3.666 1.00 1.06 H new ATOM 0 HG3 GLN A 63 16.287 -5.198 2.216 1.00 1.06 H new ATOM 0 HE21 GLN A 63 17.629 -2.337 4.034 1.00 2.19 H new ATOM 0 HE22 GLN A 63 19.316 -2.802 3.791 1.00 2.19 H new ATOM 978 N ASP A 64 13.829 -5.717 1.247 1.00 0.22 N ATOM 979 CA ASP A 64 13.665 -6.945 0.422 1.00 0.23 C ATOM 980 C ASP A 64 12.428 -6.784 -0.461 1.00 0.22 C ATOM 981 O ASP A 64 12.420 -7.167 -1.614 1.00 0.25 O ATOM 982 CB ASP A 64 13.490 -8.161 1.336 1.00 0.25 C ATOM 983 CG ASP A 64 12.507 -7.820 2.458 1.00 0.22 C ATOM 984 OD1 ASP A 64 12.846 -6.986 3.282 1.00 1.10 O ATOM 985 OD2 ASP A 64 11.434 -8.399 2.476 1.00 1.08 O ATOM 0 H ASP A 64 13.601 -5.823 2.236 1.00 0.22 H new ATOM 0 HA ASP A 64 14.548 -7.093 -0.200 1.00 0.23 H new ATOM 0 HB2 ASP A 64 13.122 -9.011 0.761 1.00 0.25 H new ATOM 0 HB3 ASP A 64 14.452 -8.454 1.757 1.00 0.25 H new ATOM 990 N VAL A 65 11.386 -6.209 0.072 1.00 0.22 N ATOM 991 CA VAL A 65 10.151 -6.010 -0.735 1.00 0.23 C ATOM 992 C VAL A 65 10.380 -4.863 -1.721 1.00 0.23 C ATOM 993 O VAL A 65 9.862 -4.861 -2.819 1.00 0.27 O ATOM 994 CB VAL A 65 8.985 -5.661 0.193 1.00 0.25 C ATOM 995 CG1 VAL A 65 7.686 -5.617 -0.613 1.00 0.29 C ATOM 996 CG2 VAL A 65 8.871 -6.725 1.288 1.00 0.30 C ATOM 0 H VAL A 65 11.337 -5.868 1.032 1.00 0.22 H new ATOM 0 HA VAL A 65 9.916 -6.924 -1.281 1.00 0.23 H new ATOM 0 HB VAL A 65 9.162 -4.687 0.649 1.00 0.25 H new ATOM 0 HG11 VAL A 65 6.856 -5.368 0.048 1.00 0.29 H new ATOM 0 HG12 VAL A 65 7.767 -4.860 -1.393 1.00 0.29 H new ATOM 0 HG13 VAL A 65 7.508 -6.591 -1.069 1.00 0.29 H new ATOM 0 HG21 VAL A 65 8.041 -6.478 1.950 1.00 0.30 H new ATOM 0 HG22 VAL A 65 8.694 -7.699 0.832 1.00 0.30 H new ATOM 0 HG23 VAL A 65 9.797 -6.756 1.863 1.00 0.30 H new ATOM 1006 N ALA A 66 11.156 -3.888 -1.334 1.00 0.22 N ATOM 1007 CA ALA A 66 11.425 -2.740 -2.245 1.00 0.26 C ATOM 1008 C ALA A 66 12.247 -3.219 -3.443 1.00 0.28 C ATOM 1009 O ALA A 66 12.141 -2.692 -4.532 1.00 0.32 O ATOM 1010 CB ALA A 66 12.204 -1.661 -1.490 1.00 0.30 C ATOM 0 H ALA A 66 11.616 -3.837 -0.425 1.00 0.22 H new ATOM 0 HA ALA A 66 10.479 -2.327 -2.596 1.00 0.26 H new ATOM 0 HB1 ALA A 66 12.401 -0.821 -2.156 1.00 0.30 H new ATOM 0 HB2 ALA A 66 11.618 -1.318 -0.637 1.00 0.30 H new ATOM 0 HB3 ALA A 66 13.149 -2.074 -1.138 1.00 0.30 H new ATOM 1016 N SER A 67 13.069 -4.214 -3.248 1.00 0.32 N ATOM 1017 CA SER A 67 13.899 -4.727 -4.375 1.00 0.40 C ATOM 1018 C SER A 67 13.002 -5.437 -5.390 1.00 0.41 C ATOM 1019 O SER A 67 12.965 -5.084 -6.552 1.00 0.46 O ATOM 1020 CB SER A 67 14.938 -5.711 -3.836 1.00 0.47 C ATOM 1021 OG SER A 67 15.717 -6.209 -4.915 1.00 1.35 O ATOM 0 H SER A 67 13.202 -4.694 -2.358 1.00 0.32 H new ATOM 0 HA SER A 67 14.406 -3.893 -4.861 1.00 0.40 H new ATOM 0 HB2 SER A 67 15.580 -5.217 -3.107 1.00 0.47 H new ATOM 0 HB3 SER A 67 14.443 -6.534 -3.320 1.00 0.47 H new ATOM 0 HG SER A 67 16.385 -6.839 -4.573 1.00 1.35 H new ATOM 1027 N GLU A 68 12.280 -6.437 -4.964 1.00 0.40 N ATOM 1028 CA GLU A 68 11.388 -7.167 -5.908 1.00 0.46 C ATOM 1029 C GLU A 68 10.336 -6.204 -6.462 1.00 0.46 C ATOM 1030 O GLU A 68 9.934 -6.298 -7.604 1.00 0.54 O ATOM 1031 CB GLU A 68 10.694 -8.315 -5.172 1.00 0.48 C ATOM 1032 CG GLU A 68 10.048 -9.257 -6.190 1.00 0.60 C ATOM 1033 CD GLU A 68 11.138 -10.030 -6.935 1.00 1.52 C ATOM 1034 OE1 GLU A 68 12.275 -9.988 -6.493 1.00 2.32 O ATOM 1035 OE2 GLU A 68 10.819 -10.649 -7.937 1.00 2.22 O ATOM 0 H GLU A 68 12.269 -6.780 -4.003 1.00 0.40 H new ATOM 0 HA GLU A 68 11.980 -7.570 -6.730 1.00 0.46 H new ATOM 0 HB2 GLU A 68 11.416 -8.860 -4.563 1.00 0.48 H new ATOM 0 HB3 GLU A 68 9.937 -7.921 -4.493 1.00 0.48 H new ATOM 0 HG2 GLU A 68 9.377 -9.951 -5.684 1.00 0.60 H new ATOM 0 HG3 GLU A 68 9.444 -8.687 -6.896 1.00 0.60 H new ATOM 1042 N ALA A 69 9.890 -5.275 -5.661 1.00 0.40 N ATOM 1043 CA ALA A 69 8.868 -4.305 -6.144 1.00 0.44 C ATOM 1044 C ALA A 69 9.531 -3.297 -7.085 1.00 0.44 C ATOM 1045 O ALA A 69 8.881 -2.439 -7.645 1.00 0.52 O ATOM 1046 CB ALA A 69 8.259 -3.569 -4.948 1.00 0.43 C ATOM 0 H ALA A 69 10.189 -5.146 -4.694 1.00 0.40 H new ATOM 0 HA ALA A 69 8.081 -4.837 -6.679 1.00 0.44 H new ATOM 0 HB1 ALA A 69 7.511 -2.859 -5.300 1.00 0.43 H new ATOM 0 HB2 ALA A 69 7.789 -4.289 -4.279 1.00 0.43 H new ATOM 0 HB3 ALA A 69 9.043 -3.034 -4.412 1.00 0.43 H new ATOM 1052 N GLU A 70 10.824 -3.404 -7.261 1.00 0.42 N ATOM 1053 CA GLU A 70 11.568 -2.468 -8.161 1.00 0.47 C ATOM 1054 C GLU A 70 11.041 -1.039 -7.999 1.00 0.41 C ATOM 1055 O GLU A 70 10.899 -0.306 -8.957 1.00 0.46 O ATOM 1056 CB GLU A 70 11.446 -2.921 -9.630 1.00 0.62 C ATOM 1057 CG GLU A 70 9.983 -2.928 -10.094 1.00 1.24 C ATOM 1058 CD GLU A 70 9.938 -3.124 -11.609 1.00 1.60 C ATOM 1059 OE1 GLU A 70 10.797 -3.821 -12.123 1.00 2.15 O ATOM 1060 OE2 GLU A 70 9.043 -2.574 -12.231 1.00 2.17 O ATOM 0 H GLU A 70 11.405 -4.112 -6.812 1.00 0.42 H new ATOM 0 HA GLU A 70 12.621 -2.484 -7.880 1.00 0.47 H new ATOM 0 HB2 GLU A 70 12.028 -2.255 -10.267 1.00 0.62 H new ATOM 0 HB3 GLU A 70 11.869 -3.919 -9.741 1.00 0.62 H new ATOM 0 HG2 GLU A 70 9.435 -3.727 -9.595 1.00 1.24 H new ATOM 0 HG3 GLU A 70 9.498 -1.991 -9.822 1.00 1.24 H new ATOM 1067 N VAL A 71 10.760 -0.639 -6.789 1.00 0.37 N ATOM 1068 CA VAL A 71 10.251 0.747 -6.552 1.00 0.36 C ATOM 1069 C VAL A 71 11.439 1.698 -6.366 1.00 0.34 C ATOM 1070 O VAL A 71 12.155 1.620 -5.387 1.00 0.48 O ATOM 1071 CB VAL A 71 9.377 0.762 -5.292 1.00 0.49 C ATOM 1072 CG1 VAL A 71 9.034 2.206 -4.916 1.00 0.52 C ATOM 1073 CG2 VAL A 71 8.084 -0.009 -5.560 1.00 0.65 C ATOM 0 H VAL A 71 10.860 -1.212 -5.951 1.00 0.37 H new ATOM 0 HA VAL A 71 9.657 1.070 -7.407 1.00 0.36 H new ATOM 0 HB VAL A 71 9.922 0.294 -4.472 1.00 0.49 H new ATOM 0 HG11 VAL A 71 8.413 2.211 -4.020 1.00 0.52 H new ATOM 0 HG12 VAL A 71 9.953 2.760 -4.724 1.00 0.52 H new ATOM 0 HG13 VAL A 71 8.492 2.677 -5.736 1.00 0.52 H new ATOM 0 HG21 VAL A 71 7.462 0.001 -4.665 1.00 0.65 H new ATOM 0 HG22 VAL A 71 7.544 0.461 -6.382 1.00 0.65 H new ATOM 0 HG23 VAL A 71 8.323 -1.039 -5.824 1.00 0.65 H new ATOM 1083 N LYS A 72 11.646 2.600 -7.295 1.00 0.33 N ATOM 1084 CA LYS A 72 12.781 3.577 -7.186 1.00 0.44 C ATOM 1085 C LYS A 72 12.215 4.999 -7.201 1.00 0.39 C ATOM 1086 O LYS A 72 12.903 5.948 -7.519 1.00 0.42 O ATOM 1087 CB LYS A 72 13.737 3.404 -8.380 1.00 0.61 C ATOM 1088 CG LYS A 72 14.605 2.134 -8.215 1.00 0.70 C ATOM 1089 CD LYS A 72 13.880 0.905 -8.797 1.00 1.34 C ATOM 1090 CE LYS A 72 14.140 0.802 -10.306 1.00 1.77 C ATOM 1091 NZ LYS A 72 13.502 -0.436 -10.835 1.00 2.43 N ATOM 0 H LYS A 72 11.073 2.704 -8.133 1.00 0.33 H new ATOM 0 HA LYS A 72 13.326 3.398 -6.259 1.00 0.44 H new ATOM 0 HB2 LYS A 72 13.163 3.339 -9.304 1.00 0.61 H new ATOM 0 HB3 LYS A 72 14.380 4.280 -8.466 1.00 0.61 H new ATOM 0 HG2 LYS A 72 15.561 2.272 -8.719 1.00 0.70 H new ATOM 0 HG3 LYS A 72 14.822 1.969 -7.160 1.00 0.70 H new ATOM 0 HD2 LYS A 72 14.226 -0.000 -8.298 1.00 1.34 H new ATOM 0 HD3 LYS A 72 12.809 0.983 -8.610 1.00 1.34 H new ATOM 0 HE2 LYS A 72 13.738 1.678 -10.816 1.00 1.77 H new ATOM 0 HE3 LYS A 72 15.212 0.784 -10.501 1.00 1.77 H new ATOM 0 HZ1 LYS A 72 13.789 -0.579 -11.824 1.00 2.43 H new ATOM 0 HZ2 LYS A 72 13.803 -1.252 -10.266 1.00 2.43 H new ATOM 0 HZ3 LYS A 72 12.467 -0.342 -10.785 1.00 2.43 H new ATOM 1105 N ALA A 73 10.965 5.154 -6.857 1.00 0.33 N ATOM 1106 CA ALA A 73 10.348 6.513 -6.848 1.00 0.30 C ATOM 1107 C ALA A 73 9.224 6.549 -5.812 1.00 0.25 C ATOM 1108 O ALA A 73 8.093 6.217 -6.100 1.00 0.22 O ATOM 1109 CB ALA A 73 9.777 6.824 -8.234 1.00 0.34 C ATOM 0 H ALA A 73 10.342 4.395 -6.581 1.00 0.33 H new ATOM 0 HA ALA A 73 11.103 7.257 -6.594 1.00 0.30 H new ATOM 0 HB1 ALA A 73 9.326 7.816 -8.228 1.00 0.34 H new ATOM 0 HB2 ALA A 73 10.578 6.794 -8.973 1.00 0.34 H new ATOM 0 HB3 ALA A 73 9.019 6.083 -8.490 1.00 0.34 H new ATOM 1115 N THR A 74 9.527 6.948 -4.605 1.00 0.25 N ATOM 1116 CA THR A 74 8.481 7.005 -3.537 1.00 0.22 C ATOM 1117 C THR A 74 7.916 8.436 -3.469 1.00 0.21 C ATOM 1118 O THR A 74 8.608 9.369 -3.822 1.00 0.24 O ATOM 1119 CB THR A 74 9.140 6.649 -2.195 1.00 0.26 C ATOM 1120 OG1 THR A 74 10.428 7.246 -2.134 1.00 0.31 O ATOM 1121 CG2 THR A 74 9.278 5.129 -2.071 1.00 0.26 C ATOM 0 H THR A 74 10.459 7.239 -4.310 1.00 0.25 H new ATOM 0 HA THR A 74 7.674 6.305 -3.753 1.00 0.22 H new ATOM 0 HB THR A 74 8.521 7.021 -1.378 1.00 0.26 H new ATOM 0 HG1 THR A 74 10.852 7.023 -1.279 1.00 0.31 H new ATOM 0 HG21 THR A 74 9.746 4.883 -1.118 1.00 0.26 H new ATOM 0 HG22 THR A 74 8.291 4.669 -2.121 1.00 0.26 H new ATOM 0 HG23 THR A 74 9.895 4.752 -2.886 1.00 0.26 H new ATOM 1129 N PRO A 75 6.687 8.595 -3.002 1.00 0.19 N ATOM 1130 CA PRO A 75 5.799 7.490 -2.558 1.00 0.17 C ATOM 1131 C PRO A 75 5.186 6.774 -3.776 1.00 0.14 C ATOM 1132 O PRO A 75 4.976 7.367 -4.814 1.00 0.15 O ATOM 1133 CB PRO A 75 4.694 8.199 -1.739 1.00 0.19 C ATOM 1134 CG PRO A 75 4.812 9.724 -2.031 1.00 0.22 C ATOM 1135 CD PRO A 75 6.100 9.939 -2.858 1.00 0.21 C ATOM 0 HA PRO A 75 6.328 6.731 -1.981 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.708 7.828 -2.021 1.00 0.19 H new ATOM 0 HB3 PRO A 75 4.817 8.000 -0.674 1.00 0.19 H new ATOM 0 HG2 PRO A 75 3.940 10.078 -2.580 1.00 0.22 H new ATOM 0 HG3 PRO A 75 4.854 10.291 -1.101 1.00 0.22 H new ATOM 0 HD2 PRO A 75 5.877 10.379 -3.830 1.00 0.21 H new ATOM 0 HD3 PRO A 75 6.786 10.618 -2.351 1.00 0.21 H new ATOM 1143 N THR A 76 4.890 5.503 -3.643 1.00 0.13 N ATOM 1144 CA THR A 76 4.278 4.740 -4.777 1.00 0.13 C ATOM 1145 C THR A 76 3.183 3.817 -4.235 1.00 0.14 C ATOM 1146 O THR A 76 3.434 2.959 -3.412 1.00 0.23 O ATOM 1147 CB THR A 76 5.356 3.909 -5.482 1.00 0.15 C ATOM 1148 OG1 THR A 76 6.245 4.778 -6.164 1.00 0.21 O ATOM 1149 CG2 THR A 76 4.705 2.957 -6.490 1.00 0.19 C ATOM 0 H THR A 76 5.047 4.959 -2.794 1.00 0.13 H new ATOM 0 HA THR A 76 3.842 5.438 -5.492 1.00 0.13 H new ATOM 0 HB THR A 76 5.903 3.327 -4.741 1.00 0.15 H new ATOM 0 HG1 THR A 76 6.890 5.151 -5.528 1.00 0.21 H new ATOM 0 HG21 THR A 76 5.477 2.370 -6.987 1.00 0.19 H new ATOM 0 HG22 THR A 76 4.020 2.288 -5.969 1.00 0.19 H new ATOM 0 HG23 THR A 76 4.154 3.534 -7.232 1.00 0.19 H new ATOM 1157 N PHE A 77 1.970 3.987 -4.696 1.00 0.12 N ATOM 1158 CA PHE A 77 0.843 3.124 -4.220 1.00 0.13 C ATOM 1159 C PHE A 77 0.533 2.068 -5.283 1.00 0.13 C ATOM 1160 O PHE A 77 0.328 2.384 -6.439 1.00 0.21 O ATOM 1161 CB PHE A 77 -0.395 3.991 -3.990 1.00 0.14 C ATOM 1162 CG PHE A 77 -0.098 5.022 -2.926 1.00 0.13 C ATOM 1163 CD1 PHE A 77 -0.342 4.725 -1.572 1.00 0.16 C ATOM 1164 CD2 PHE A 77 0.423 6.278 -3.289 1.00 0.15 C ATOM 1165 CE1 PHE A 77 -0.063 5.685 -0.579 1.00 0.17 C ATOM 1166 CE2 PHE A 77 0.702 7.238 -2.298 1.00 0.17 C ATOM 1167 CZ PHE A 77 0.458 6.941 -0.943 1.00 0.17 C ATOM 0 H PHE A 77 1.709 4.691 -5.386 1.00 0.12 H new ATOM 0 HA PHE A 77 1.124 2.634 -3.288 1.00 0.13 H new ATOM 0 HB2 PHE A 77 -0.684 4.484 -4.918 1.00 0.14 H new ATOM 0 HB3 PHE A 77 -1.236 3.369 -3.684 1.00 0.14 H new ATOM 0 HD1 PHE A 77 -0.743 3.761 -1.294 1.00 0.16 H new ATOM 0 HD2 PHE A 77 0.609 6.505 -4.328 1.00 0.15 H new ATOM 0 HE1 PHE A 77 -0.249 5.457 0.460 1.00 0.17 H new ATOM 0 HE2 PHE A 77 1.103 8.201 -2.576 1.00 0.17 H new ATOM 0 HZ PHE A 77 0.671 7.678 -0.182 1.00 0.17 H new ATOM 1177 N GLN A 78 0.497 0.814 -4.898 1.00 0.12 N ATOM 1178 CA GLN A 78 0.201 -0.283 -5.877 1.00 0.13 C ATOM 1179 C GLN A 78 -1.113 -0.970 -5.497 1.00 0.13 C ATOM 1180 O GLN A 78 -1.425 -1.132 -4.334 1.00 0.19 O ATOM 1181 CB GLN A 78 1.334 -1.309 -5.840 1.00 0.15 C ATOM 1182 CG GLN A 78 2.651 -0.629 -6.220 1.00 0.21 C ATOM 1183 CD GLN A 78 3.715 -1.694 -6.497 1.00 0.23 C ATOM 1184 OE1 GLN A 78 3.430 -2.711 -7.097 1.00 1.06 O ATOM 1185 NE2 GLN A 78 4.936 -1.501 -6.082 1.00 1.17 N ATOM 0 H GLN A 78 0.661 0.501 -3.941 1.00 0.12 H new ATOM 0 HA GLN A 78 0.114 0.138 -6.879 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.412 -1.745 -4.844 1.00 0.15 H new ATOM 0 HB3 GLN A 78 1.122 -2.126 -6.530 1.00 0.15 H new ATOM 0 HG2 GLN A 78 2.509 -0.004 -7.102 1.00 0.21 H new ATOM 0 HG3 GLN A 78 2.979 0.027 -5.414 1.00 0.21 H new ATOM 0 HE21 GLN A 78 5.174 -0.647 -5.578 1.00 1.17 H new ATOM 0 HE22 GLN A 78 5.653 -2.204 -6.261 1.00 1.17 H new ATOM 1194 N PHE A 79 -1.884 -1.374 -6.476 1.00 0.12 N ATOM 1195 CA PHE A 79 -3.188 -2.055 -6.199 1.00 0.13 C ATOM 1196 C PHE A 79 -3.065 -3.541 -6.544 1.00 0.13 C ATOM 1197 O PHE A 79 -2.727 -3.902 -7.653 1.00 0.21 O ATOM 1198 CB PHE A 79 -4.279 -1.420 -7.064 1.00 0.14 C ATOM 1199 CG PHE A 79 -4.578 -0.031 -6.548 1.00 0.15 C ATOM 1200 CD1 PHE A 79 -3.620 0.992 -6.686 1.00 0.15 C ATOM 1201 CD2 PHE A 79 -5.811 0.242 -5.923 1.00 0.16 C ATOM 1202 CE1 PHE A 79 -3.893 2.283 -6.201 1.00 0.17 C ATOM 1203 CE2 PHE A 79 -6.085 1.534 -5.436 1.00 0.18 C ATOM 1204 CZ PHE A 79 -5.126 2.555 -5.575 1.00 0.18 C ATOM 0 H PHE A 79 -1.664 -1.260 -7.465 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.446 -1.946 -5.145 1.00 0.13 H new ATOM 0 HB2 PHE A 79 -3.954 -1.372 -8.103 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.181 -2.032 -7.040 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.675 0.785 -7.165 1.00 0.15 H new ATOM 0 HD2 PHE A 79 -6.547 -0.541 -5.817 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.158 3.067 -6.308 1.00 0.17 H new ATOM 0 HE2 PHE A 79 -7.030 1.742 -4.956 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.335 3.547 -5.202 1.00 0.18 H new ATOM 1214 N PHE A 80 -3.337 -4.405 -5.594 1.00 0.14 N ATOM 1215 CA PHE A 80 -3.239 -5.880 -5.843 1.00 0.15 C ATOM 1216 C PHE A 80 -4.589 -6.539 -5.543 1.00 0.15 C ATOM 1217 O PHE A 80 -5.429 -5.985 -4.861 1.00 0.18 O ATOM 1218 CB PHE A 80 -2.167 -6.480 -4.919 1.00 0.16 C ATOM 1219 CG PHE A 80 -0.791 -6.226 -5.493 1.00 0.16 C ATOM 1220 CD1 PHE A 80 -0.237 -7.130 -6.420 1.00 0.22 C ATOM 1221 CD2 PHE A 80 -0.062 -5.090 -5.096 1.00 0.15 C ATOM 1222 CE1 PHE A 80 1.047 -6.897 -6.949 1.00 0.25 C ATOM 1223 CE2 PHE A 80 1.222 -4.857 -5.626 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.777 -5.760 -6.551 1.00 0.21 C ATOM 0 H PHE A 80 -3.625 -4.150 -4.649 1.00 0.14 H new ATOM 0 HA PHE A 80 -2.970 -6.057 -6.884 1.00 0.15 H new ATOM 0 HB2 PHE A 80 -2.243 -6.039 -3.925 1.00 0.16 H new ATOM 0 HB3 PHE A 80 -2.331 -7.552 -4.805 1.00 0.16 H new ATOM 0 HD1 PHE A 80 -0.797 -8.002 -6.725 1.00 0.22 H new ATOM 0 HD2 PHE A 80 -0.487 -4.397 -4.385 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.472 -7.590 -7.660 1.00 0.25 H new ATOM 0 HE2 PHE A 80 1.781 -3.984 -5.322 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.762 -5.582 -6.956 1.00 0.21 H new ATOM 1234 N LYS A 81 -4.790 -7.726 -6.049 1.00 0.14 N ATOM 1235 CA LYS A 81 -6.071 -8.450 -5.805 1.00 0.15 C ATOM 1236 C LYS A 81 -5.807 -9.953 -5.898 1.00 0.15 C ATOM 1237 O LYS A 81 -5.195 -10.425 -6.835 1.00 0.18 O ATOM 1238 CB LYS A 81 -7.103 -8.044 -6.865 1.00 0.20 C ATOM 1239 CG LYS A 81 -8.512 -8.510 -6.441 1.00 0.28 C ATOM 1240 CD LYS A 81 -9.173 -7.461 -5.524 1.00 0.78 C ATOM 1241 CE LYS A 81 -9.879 -6.392 -6.366 1.00 0.85 C ATOM 1242 NZ LYS A 81 -10.915 -7.039 -7.220 1.00 1.72 N ATOM 0 H LYS A 81 -4.116 -8.229 -6.626 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.458 -8.199 -4.818 1.00 0.15 H new ATOM 0 HB2 LYS A 81 -7.094 -6.962 -6.997 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -6.840 -8.484 -7.827 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.130 -8.671 -7.325 1.00 0.28 H new ATOM 0 HG3 LYS A 81 -8.445 -9.466 -5.921 1.00 0.28 H new ATOM 0 HD2 LYS A 81 -9.891 -7.946 -4.863 1.00 0.78 H new ATOM 0 HD3 LYS A 81 -8.419 -6.995 -4.889 1.00 0.78 H new ATOM 0 HE2 LYS A 81 -10.340 -5.648 -5.717 1.00 0.85 H new ATOM 0 HE3 LYS A 81 -9.155 -5.867 -6.989 1.00 0.85 H new ATOM 0 HZ1 LYS A 81 -11.725 -6.396 -7.330 1.00 1.72 H new ATOM 0 HZ2 LYS A 81 -10.511 -7.251 -8.155 1.00 1.72 H new ATOM 0 HZ3 LYS A 81 -11.232 -7.922 -6.772 1.00 1.72 H new ATOM 1256 N LYS A 82 -6.251 -10.708 -4.931 1.00 0.17 N ATOM 1257 CA LYS A 82 -6.009 -12.179 -4.967 1.00 0.20 C ATOM 1258 C LYS A 82 -4.517 -12.436 -5.193 1.00 0.22 C ATOM 1259 O LYS A 82 -4.101 -13.550 -5.444 1.00 0.28 O ATOM 1260 CB LYS A 82 -6.815 -12.808 -6.108 1.00 0.23 C ATOM 1261 CG LYS A 82 -8.306 -12.762 -5.770 1.00 0.33 C ATOM 1262 CD LYS A 82 -9.118 -13.202 -6.989 1.00 0.43 C ATOM 1263 CE LYS A 82 -10.592 -13.331 -6.602 1.00 1.28 C ATOM 1264 NZ LYS A 82 -10.775 -14.531 -5.736 1.00 1.95 N ATOM 0 H LYS A 82 -6.769 -10.372 -4.120 1.00 0.17 H new ATOM 0 HA LYS A 82 -6.321 -12.623 -4.022 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -6.626 -12.272 -7.038 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.499 -13.839 -6.264 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -8.518 -13.415 -4.923 1.00 0.33 H new ATOM 0 HG3 LYS A 82 -8.592 -11.753 -5.474 1.00 0.33 H new ATOM 0 HD2 LYS A 82 -9.005 -12.477 -7.795 1.00 0.43 H new ATOM 0 HD3 LYS A 82 -8.745 -14.155 -7.363 1.00 0.43 H new ATOM 0 HE2 LYS A 82 -10.920 -12.435 -6.075 1.00 1.28 H new ATOM 0 HE3 LYS A 82 -11.208 -13.418 -7.497 1.00 1.28 H new ATOM 0 HZ1 LYS A 82 -11.764 -14.581 -5.417 1.00 1.95 H new ATOM 0 HZ2 LYS A 82 -10.541 -15.388 -6.277 1.00 1.95 H new ATOM 0 HZ3 LYS A 82 -10.148 -14.461 -4.909 1.00 1.95 H new ATOM 1278 N GLY A 83 -3.709 -11.411 -5.106 1.00 0.21 N ATOM 1279 CA GLY A 83 -2.238 -11.584 -5.315 1.00 0.24 C ATOM 1280 C GLY A 83 -1.882 -11.250 -6.766 1.00 0.25 C ATOM 1281 O GLY A 83 -0.933 -11.775 -7.315 1.00 0.29 O ATOM 0 H GLY A 83 -4.005 -10.457 -4.898 1.00 0.21 H new ATOM 0 HA2 GLY A 83 -1.685 -10.935 -4.636 1.00 0.24 H new ATOM 0 HA3 GLY A 83 -1.946 -12.609 -5.085 1.00 0.24 H new ATOM 1285 N GLN A 84 -2.638 -10.380 -7.391 1.00 0.23 N ATOM 1286 CA GLN A 84 -2.355 -10.000 -8.814 1.00 0.26 C ATOM 1287 C GLN A 84 -2.391 -8.475 -8.956 1.00 0.23 C ATOM 1288 O GLN A 84 -3.351 -7.831 -8.583 1.00 0.21 O ATOM 1289 CB GLN A 84 -3.426 -10.615 -9.724 1.00 0.29 C ATOM 1290 CG GLN A 84 -3.145 -12.107 -9.910 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.168 -12.702 -10.879 1.00 0.83 C ATOM 1292 OE1 GLN A 84 -3.816 -13.448 -11.772 1.00 1.37 O ATOM 1293 NE2 GLN A 84 -5.431 -12.405 -10.739 1.00 1.17 N ATOM 0 H GLN A 84 -3.444 -9.913 -6.975 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.370 -10.369 -9.099 1.00 0.26 H new ATOM 0 HB2 GLN A 84 -4.414 -10.472 -9.287 1.00 0.29 H new ATOM 0 HB3 GLN A 84 -3.429 -10.112 -10.691 1.00 0.29 H new ATOM 0 HG2 GLN A 84 -2.136 -12.253 -10.295 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -3.197 -12.620 -8.950 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -5.728 -11.779 -9.990 1.00 1.17 H new ATOM 0 HE22 GLN A 84 -6.121 -12.799 -11.378 1.00 1.17 H new ATOM 1302 N LYS A 85 -1.359 -7.894 -9.507 1.00 0.26 N ATOM 1303 CA LYS A 85 -1.348 -6.416 -9.684 1.00 0.25 C ATOM 1304 C LYS A 85 -2.414 -6.033 -10.711 1.00 0.25 C ATOM 1305 O LYS A 85 -2.326 -6.396 -11.867 1.00 0.35 O ATOM 1306 CB LYS A 85 0.029 -5.966 -10.183 1.00 0.30 C ATOM 1307 CG LYS A 85 0.048 -4.441 -10.331 1.00 0.34 C ATOM 1308 CD LYS A 85 1.495 -3.951 -10.420 1.00 0.34 C ATOM 1309 CE LYS A 85 2.172 -4.565 -11.646 1.00 0.72 C ATOM 1310 NZ LYS A 85 3.430 -3.825 -11.943 1.00 1.64 N ATOM 0 H LYS A 85 -0.526 -8.379 -9.841 1.00 0.26 H new ATOM 0 HA LYS A 85 -1.558 -5.930 -8.732 1.00 0.25 H new ATOM 0 HB2 LYS A 85 0.802 -6.283 -9.483 1.00 0.30 H new ATOM 0 HB3 LYS A 85 0.252 -6.437 -11.140 1.00 0.30 H new ATOM 0 HG2 LYS A 85 -0.502 -4.146 -11.224 1.00 0.34 H new ATOM 0 HG3 LYS A 85 -0.452 -3.977 -9.481 1.00 0.34 H new ATOM 0 HD2 LYS A 85 1.517 -2.863 -10.487 1.00 0.34 H new ATOM 0 HD3 LYS A 85 2.039 -4.226 -9.516 1.00 0.34 H new ATOM 0 HE2 LYS A 85 2.391 -5.617 -11.465 1.00 0.72 H new ATOM 0 HE3 LYS A 85 1.501 -4.522 -12.504 1.00 0.72 H new ATOM 0 HZ1 LYS A 85 3.890 -4.243 -12.777 1.00 1.64 H new ATOM 0 HZ2 LYS A 85 3.209 -2.827 -12.134 1.00 1.64 H new ATOM 0 HZ3 LYS A 85 4.071 -3.888 -11.126 1.00 1.64 H new ATOM 1324 N VAL A 86 -3.426 -5.312 -10.294 1.00 0.20 N ATOM 1325 CA VAL A 86 -4.520 -4.907 -11.235 1.00 0.22 C ATOM 1326 C VAL A 86 -4.496 -3.388 -11.434 1.00 0.26 C ATOM 1327 O VAL A 86 -5.214 -2.852 -12.255 1.00 0.59 O ATOM 1328 CB VAL A 86 -5.868 -5.317 -10.636 1.00 0.29 C ATOM 1329 CG1 VAL A 86 -6.058 -6.828 -10.789 1.00 0.40 C ATOM 1330 CG2 VAL A 86 -5.896 -4.951 -9.151 1.00 0.35 C ATOM 0 H VAL A 86 -3.543 -4.984 -9.335 1.00 0.20 H new ATOM 0 HA VAL A 86 -4.374 -5.398 -12.197 1.00 0.22 H new ATOM 0 HB VAL A 86 -6.670 -4.795 -11.157 1.00 0.29 H new ATOM 0 HG11 VAL A 86 -7.018 -7.119 -10.362 1.00 0.40 H new ATOM 0 HG12 VAL A 86 -6.036 -7.092 -11.846 1.00 0.40 H new ATOM 0 HG13 VAL A 86 -5.256 -7.350 -10.268 1.00 0.40 H new ATOM 0 HG21 VAL A 86 -6.855 -5.242 -8.723 1.00 0.35 H new ATOM 0 HG22 VAL A 86 -5.093 -5.474 -8.632 1.00 0.35 H new ATOM 0 HG23 VAL A 86 -5.760 -3.875 -9.039 1.00 0.35 H new ATOM 1340 N GLY A 87 -3.680 -2.687 -10.695 1.00 0.26 N ATOM 1341 CA GLY A 87 -3.623 -1.203 -10.854 1.00 0.25 C ATOM 1342 C GLY A 87 -2.407 -0.649 -10.110 1.00 0.17 C ATOM 1343 O GLY A 87 -1.877 -1.273 -9.212 1.00 0.16 O ATOM 0 H GLY A 87 -3.052 -3.074 -9.990 1.00 0.26 H new ATOM 0 HA2 GLY A 87 -3.564 -0.943 -11.911 1.00 0.25 H new ATOM 0 HA3 GLY A 87 -4.536 -0.751 -10.465 1.00 0.25 H new ATOM 1347 N GLU A 88 -1.957 0.521 -10.476 1.00 0.18 N ATOM 1348 CA GLU A 88 -0.775 1.112 -9.787 1.00 0.17 C ATOM 1349 C GLU A 88 -0.570 2.553 -10.259 1.00 0.17 C ATOM 1350 O GLU A 88 -0.848 2.893 -11.391 1.00 0.19 O ATOM 1351 CB GLU A 88 0.471 0.279 -10.116 1.00 0.27 C ATOM 1352 CG GLU A 88 1.734 0.971 -9.577 1.00 0.92 C ATOM 1353 CD GLU A 88 2.224 2.026 -10.576 1.00 1.74 C ATOM 1354 OE1 GLU A 88 2.448 1.670 -11.720 1.00 2.43 O ATOM 1355 OE2 GLU A 88 2.365 3.170 -10.177 1.00 2.40 O ATOM 0 H GLU A 88 -2.356 1.092 -11.221 1.00 0.18 H new ATOM 0 HA GLU A 88 -0.942 1.109 -8.710 1.00 0.17 H new ATOM 0 HB2 GLU A 88 0.378 -0.715 -9.678 1.00 0.27 H new ATOM 0 HB3 GLU A 88 0.553 0.146 -11.195 1.00 0.27 H new ATOM 0 HG2 GLU A 88 1.519 1.440 -8.617 1.00 0.92 H new ATOM 0 HG3 GLU A 88 2.517 0.232 -9.403 1.00 0.92 H new ATOM 1362 N PHE A 89 -0.069 3.403 -9.401 1.00 0.15 N ATOM 1363 CA PHE A 89 0.170 4.817 -9.806 1.00 0.16 C ATOM 1364 C PHE A 89 1.047 5.502 -8.752 1.00 0.16 C ATOM 1365 O PHE A 89 0.809 5.386 -7.566 1.00 0.18 O ATOM 1366 CB PHE A 89 -1.176 5.555 -9.962 1.00 0.16 C ATOM 1367 CG PHE A 89 -1.714 6.009 -8.618 1.00 0.15 C ATOM 1368 CD1 PHE A 89 -1.167 7.146 -7.990 1.00 0.17 C ATOM 1369 CD2 PHE A 89 -2.769 5.306 -8.002 1.00 0.15 C ATOM 1370 CE1 PHE A 89 -1.672 7.580 -6.751 1.00 0.18 C ATOM 1371 CE2 PHE A 89 -3.274 5.742 -6.758 1.00 0.16 C ATOM 1372 CZ PHE A 89 -2.725 6.879 -6.136 1.00 0.18 C ATOM 0 H PHE A 89 0.184 3.178 -8.439 1.00 0.15 H new ATOM 0 HA PHE A 89 0.685 4.843 -10.766 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.046 6.418 -10.615 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -1.900 4.897 -10.443 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.358 7.685 -8.461 1.00 0.17 H new ATOM 0 HD2 PHE A 89 -3.191 4.435 -8.481 1.00 0.15 H new ATOM 0 HE1 PHE A 89 -1.251 8.452 -6.272 1.00 0.18 H new ATOM 0 HE2 PHE A 89 -4.081 5.203 -6.284 1.00 0.16 H new ATOM 0 HZ PHE A 89 -3.113 7.214 -5.185 1.00 0.18 H new ATOM 1382 N SER A 90 2.061 6.213 -9.179 1.00 0.16 N ATOM 1383 CA SER A 90 2.968 6.909 -8.214 1.00 0.18 C ATOM 1384 C SER A 90 2.681 8.412 -8.231 1.00 0.18 C ATOM 1385 O SER A 90 2.575 9.023 -9.275 1.00 0.21 O ATOM 1386 CB SER A 90 4.421 6.670 -8.625 1.00 0.22 C ATOM 1387 OG SER A 90 4.694 7.391 -9.820 1.00 0.35 O ATOM 0 H SER A 90 2.301 6.342 -10.162 1.00 0.16 H new ATOM 0 HA SER A 90 2.798 6.518 -7.211 1.00 0.18 H new ATOM 0 HB2 SER A 90 5.094 6.992 -7.830 1.00 0.22 H new ATOM 0 HB3 SER A 90 4.597 5.606 -8.780 1.00 0.22 H new ATOM 0 HG SER A 90 5.625 7.242 -10.086 1.00 0.35 H new ATOM 1393 N GLY A 91 2.558 9.013 -7.077 1.00 0.19 N ATOM 1394 CA GLY A 91 2.281 10.477 -7.023 1.00 0.20 C ATOM 1395 C GLY A 91 1.643 10.830 -5.678 1.00 0.19 C ATOM 1396 O GLY A 91 0.885 10.063 -5.119 1.00 0.19 O ATOM 0 H GLY A 91 2.637 8.553 -6.170 1.00 0.19 H new ATOM 0 HA2 GLY A 91 3.206 11.037 -7.156 1.00 0.20 H new ATOM 0 HA3 GLY A 91 1.616 10.762 -7.838 1.00 0.20 H new ATOM 1400 N ALA A 92 1.947 11.987 -5.154 1.00 0.21 N ATOM 1401 CA ALA A 92 1.360 12.390 -3.846 1.00 0.24 C ATOM 1402 C ALA A 92 -0.063 12.910 -4.063 1.00 0.23 C ATOM 1403 O ALA A 92 -0.399 14.006 -3.659 1.00 0.31 O ATOM 1404 CB ALA A 92 2.215 13.495 -3.222 1.00 0.28 C ATOM 0 H ALA A 92 2.577 12.670 -5.576 1.00 0.21 H new ATOM 0 HA ALA A 92 1.335 11.528 -3.179 1.00 0.24 H new ATOM 0 HB1 ALA A 92 1.786 13.790 -2.265 1.00 0.28 H new ATOM 0 HB2 ALA A 92 3.229 13.127 -3.067 1.00 0.28 H new ATOM 0 HB3 ALA A 92 2.240 14.356 -3.889 1.00 0.28 H new ATOM 1410 N ASN A 93 -0.899 12.130 -4.700 1.00 0.22 N ATOM 1411 CA ASN A 93 -2.309 12.564 -4.953 1.00 0.23 C ATOM 1412 C ASN A 93 -3.246 11.811 -4.007 1.00 0.23 C ATOM 1413 O ASN A 93 -3.796 10.782 -4.348 1.00 0.21 O ATOM 1414 CB ASN A 93 -2.685 12.243 -6.402 1.00 0.25 C ATOM 1415 CG ASN A 93 -3.968 12.989 -6.776 1.00 0.29 C ATOM 1416 OD1 ASN A 93 -5.017 12.735 -6.219 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.927 13.906 -7.704 1.00 0.91 N ATOM 0 H ASN A 93 -0.665 11.204 -5.059 1.00 0.22 H new ATOM 0 HA ASN A 93 -2.400 13.637 -4.781 1.00 0.23 H new ATOM 0 HB2 ASN A 93 -1.875 12.533 -7.071 1.00 0.25 H new ATOM 0 HB3 ASN A 93 -2.828 11.169 -6.522 1.00 0.25 H new ATOM 0 HD21 ASN A 93 -4.776 14.409 -7.961 1.00 0.91 H new ATOM 0 HD22 ASN A 93 -3.046 14.119 -8.172 1.00 0.91 H new ATOM 1424 N LYS A 94 -3.431 12.316 -2.818 1.00 0.29 N ATOM 1425 CA LYS A 94 -4.328 11.633 -1.846 1.00 0.32 C ATOM 1426 C LYS A 94 -5.742 11.543 -2.428 1.00 0.30 C ATOM 1427 O LYS A 94 -6.472 10.607 -2.167 1.00 0.28 O ATOM 1428 CB LYS A 94 -4.359 12.426 -0.527 1.00 0.42 C ATOM 1429 CG LYS A 94 -4.380 13.950 -0.813 1.00 0.53 C ATOM 1430 CD LYS A 94 -2.957 14.537 -0.723 1.00 0.91 C ATOM 1431 CE LYS A 94 -2.616 14.864 0.736 1.00 0.70 C ATOM 1432 NZ LYS A 94 -1.256 15.471 0.803 1.00 1.12 N ATOM 0 H LYS A 94 -2.998 13.175 -2.478 1.00 0.29 H new ATOM 0 HA LYS A 94 -3.954 10.628 -1.653 1.00 0.32 H new ATOM 0 HB2 LYS A 94 -5.239 12.146 0.052 1.00 0.42 H new ATOM 0 HB3 LYS A 94 -3.487 12.175 0.076 1.00 0.42 H new ATOM 0 HG2 LYS A 94 -4.793 14.134 -1.805 1.00 0.53 H new ATOM 0 HG3 LYS A 94 -5.032 14.451 -0.098 1.00 0.53 H new ATOM 0 HD2 LYS A 94 -2.235 13.825 -1.123 1.00 0.91 H new ATOM 0 HD3 LYS A 94 -2.887 15.438 -1.332 1.00 0.91 H new ATOM 0 HE2 LYS A 94 -3.354 15.552 1.148 1.00 0.70 H new ATOM 0 HE3 LYS A 94 -2.652 13.958 1.341 1.00 0.70 H new ATOM 0 HZ1 LYS A 94 -1.023 15.693 1.792 1.00 1.12 H new ATOM 0 HZ2 LYS A 94 -0.557 14.800 0.425 1.00 1.12 H new ATOM 0 HZ3 LYS A 94 -1.237 16.344 0.238 1.00 1.12 H new ATOM 1446 N GLU A 95 -6.134 12.507 -3.211 1.00 0.32 N ATOM 1447 CA GLU A 95 -7.500 12.475 -3.804 1.00 0.35 C ATOM 1448 C GLU A 95 -7.598 11.327 -4.810 1.00 0.29 C ATOM 1449 O GLU A 95 -8.662 10.799 -5.062 1.00 0.31 O ATOM 1450 CB GLU A 95 -7.778 13.802 -4.514 1.00 0.41 C ATOM 1451 CG GLU A 95 -7.747 14.942 -3.495 1.00 0.56 C ATOM 1452 CD GLU A 95 -8.075 16.263 -4.194 1.00 1.24 C ATOM 1453 OE1 GLU A 95 -8.859 16.237 -5.128 1.00 1.99 O ATOM 1454 OE2 GLU A 95 -7.534 17.277 -3.784 1.00 1.91 O ATOM 0 H GLU A 95 -5.568 13.316 -3.467 1.00 0.32 H new ATOM 0 HA GLU A 95 -8.234 12.324 -3.013 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -7.033 13.974 -5.291 1.00 0.41 H new ATOM 0 HB3 GLU A 95 -8.750 13.767 -5.007 1.00 0.41 H new ATOM 0 HG2 GLU A 95 -8.467 14.752 -2.699 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -6.764 15.000 -3.029 1.00 0.56 H new ATOM 1461 N LYS A 96 -6.495 10.938 -5.390 1.00 0.25 N ATOM 1462 CA LYS A 96 -6.529 9.826 -6.382 1.00 0.24 C ATOM 1463 C LYS A 96 -6.868 8.511 -5.674 1.00 0.21 C ATOM 1464 O LYS A 96 -7.647 7.717 -6.164 1.00 0.23 O ATOM 1465 CB LYS A 96 -5.164 9.709 -7.065 1.00 0.24 C ATOM 1466 CG LYS A 96 -5.222 8.636 -8.160 1.00 0.32 C ATOM 1467 CD LYS A 96 -4.057 8.830 -9.134 1.00 0.36 C ATOM 1468 CE LYS A 96 -4.108 7.748 -10.214 1.00 1.03 C ATOM 1469 NZ LYS A 96 -2.970 7.935 -11.159 1.00 1.91 N ATOM 0 H LYS A 96 -5.574 11.341 -5.220 1.00 0.25 H new ATOM 0 HA LYS A 96 -7.292 10.034 -7.132 1.00 0.24 H new ATOM 0 HB2 LYS A 96 -4.880 10.668 -7.498 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -4.400 9.452 -6.331 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -5.173 7.643 -7.713 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -6.170 8.699 -8.694 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -4.112 9.818 -9.591 1.00 0.36 H new ATOM 0 HD3 LYS A 96 -3.109 8.779 -8.598 1.00 0.36 H new ATOM 0 HE2 LYS A 96 -4.056 6.760 -9.757 1.00 1.03 H new ATOM 0 HE3 LYS A 96 -5.054 7.801 -10.752 1.00 1.03 H new ATOM 0 HZ1 LYS A 96 -2.784 7.043 -11.660 1.00 1.91 H new ATOM 0 HZ2 LYS A 96 -3.210 8.676 -11.849 1.00 1.91 H new ATOM 0 HZ3 LYS A 96 -2.121 8.217 -10.629 1.00 1.91 H new ATOM 1483 N LEU A 97 -6.289 8.268 -4.528 1.00 0.18 N ATOM 1484 CA LEU A 97 -6.586 6.999 -3.802 1.00 0.17 C ATOM 1485 C LEU A 97 -8.101 6.807 -3.704 1.00 0.17 C ATOM 1486 O LEU A 97 -8.596 5.698 -3.706 1.00 0.18 O ATOM 1487 CB LEU A 97 -5.999 7.057 -2.385 1.00 0.17 C ATOM 1488 CG LEU A 97 -4.467 7.182 -2.441 1.00 0.19 C ATOM 1489 CD1 LEU A 97 -3.941 7.662 -1.084 1.00 0.23 C ATOM 1490 CD2 LEU A 97 -3.831 5.820 -2.759 1.00 0.23 C ATOM 0 H LEU A 97 -5.626 8.890 -4.065 1.00 0.18 H new ATOM 0 HA LEU A 97 -6.141 6.167 -4.348 1.00 0.17 H new ATOM 0 HB2 LEU A 97 -6.419 7.906 -1.845 1.00 0.17 H new ATOM 0 HB3 LEU A 97 -6.277 6.159 -1.833 1.00 0.17 H new ATOM 0 HG LEU A 97 -4.206 7.897 -3.222 1.00 0.19 H new ATOM 0 HD11 LEU A 97 -2.855 7.750 -1.125 1.00 0.23 H new ATOM 0 HD12 LEU A 97 -4.375 8.634 -0.848 1.00 0.23 H new ATOM 0 HD13 LEU A 97 -4.218 6.944 -0.312 1.00 0.23 H new ATOM 0 HD21 LEU A 97 -2.747 5.924 -2.795 1.00 0.23 H new ATOM 0 HD22 LEU A 97 -4.101 5.103 -1.984 1.00 0.23 H new ATOM 0 HD23 LEU A 97 -4.194 5.465 -3.724 1.00 0.23 H new ATOM 1502 N GLU A 98 -8.842 7.876 -3.610 1.00 0.19 N ATOM 1503 CA GLU A 98 -10.324 7.747 -3.503 1.00 0.21 C ATOM 1504 C GLU A 98 -10.894 7.187 -4.809 1.00 0.20 C ATOM 1505 O GLU A 98 -11.379 6.074 -4.859 1.00 0.19 O ATOM 1506 CB GLU A 98 -10.937 9.123 -3.228 1.00 0.25 C ATOM 1507 CG GLU A 98 -12.422 8.965 -2.889 1.00 0.30 C ATOM 1508 CD GLU A 98 -12.969 10.293 -2.364 1.00 1.16 C ATOM 1509 OE1 GLU A 98 -12.242 10.974 -1.658 1.00 1.81 O ATOM 1510 OE2 GLU A 98 -14.105 10.608 -2.676 1.00 1.98 O ATOM 0 H GLU A 98 -8.487 8.832 -3.603 1.00 0.19 H new ATOM 0 HA GLU A 98 -10.566 7.068 -2.686 1.00 0.21 H new ATOM 0 HB2 GLU A 98 -10.415 9.607 -2.403 1.00 0.25 H new ATOM 0 HB3 GLU A 98 -10.819 9.766 -4.100 1.00 0.25 H new ATOM 0 HG2 GLU A 98 -12.977 8.655 -3.774 1.00 0.30 H new ATOM 0 HG3 GLU A 98 -12.554 8.184 -2.141 1.00 0.30 H new ATOM 1517 N ALA A 99 -10.847 7.953 -5.864 1.00 0.24 N ATOM 1518 CA ALA A 99 -11.393 7.467 -7.163 1.00 0.26 C ATOM 1519 C ALA A 99 -10.746 6.131 -7.533 1.00 0.23 C ATOM 1520 O ALA A 99 -11.362 5.283 -8.147 1.00 0.23 O ATOM 1521 CB ALA A 99 -11.098 8.496 -8.256 1.00 0.33 C ATOM 0 H ALA A 99 -10.454 8.894 -5.883 1.00 0.24 H new ATOM 0 HA ALA A 99 -12.470 7.329 -7.070 1.00 0.26 H new ATOM 0 HB1 ALA A 99 -11.497 8.142 -9.207 1.00 0.33 H new ATOM 0 HB2 ALA A 99 -11.566 9.446 -7.997 1.00 0.33 H new ATOM 0 HB3 ALA A 99 -10.020 8.635 -8.344 1.00 0.33 H new ATOM 1527 N THR A 100 -9.508 5.936 -7.172 1.00 0.23 N ATOM 1528 CA THR A 100 -8.830 4.652 -7.512 1.00 0.22 C ATOM 1529 C THR A 100 -9.421 3.519 -6.670 1.00 0.19 C ATOM 1530 O THR A 100 -9.842 2.505 -7.189 1.00 0.20 O ATOM 1531 CB THR A 100 -7.327 4.779 -7.232 1.00 0.24 C ATOM 1532 OG1 THR A 100 -6.875 6.053 -7.666 1.00 0.30 O ATOM 1533 CG2 THR A 100 -6.569 3.685 -7.987 1.00 0.27 C ATOM 0 H THR A 100 -8.937 6.607 -6.658 1.00 0.23 H new ATOM 0 HA THR A 100 -8.983 4.428 -8.568 1.00 0.22 H new ATOM 0 HB THR A 100 -7.146 4.670 -6.163 1.00 0.24 H new ATOM 0 HG1 THR A 100 -7.195 6.742 -7.047 1.00 0.30 H new ATOM 0 HG21 THR A 100 -5.502 3.777 -7.787 1.00 0.27 H new ATOM 0 HG22 THR A 100 -6.917 2.707 -7.656 1.00 0.27 H new ATOM 0 HG23 THR A 100 -6.748 3.791 -9.057 1.00 0.27 H new ATOM 1541 N ILE A 101 -9.459 3.680 -5.375 1.00 0.17 N ATOM 1542 CA ILE A 101 -10.028 2.607 -4.509 1.00 0.17 C ATOM 1543 C ILE A 101 -11.473 2.332 -4.939 1.00 0.20 C ATOM 1544 O ILE A 101 -11.913 1.200 -4.973 1.00 0.22 O ATOM 1545 CB ILE A 101 -9.991 3.059 -3.041 1.00 0.19 C ATOM 1546 CG1 ILE A 101 -8.531 3.044 -2.552 1.00 0.19 C ATOM 1547 CG2 ILE A 101 -10.832 2.104 -2.183 1.00 0.22 C ATOM 1548 CD1 ILE A 101 -8.386 3.827 -1.235 1.00 0.25 C ATOM 0 H ILE A 101 -9.122 4.506 -4.880 1.00 0.17 H new ATOM 0 HA ILE A 101 -9.440 1.695 -4.612 1.00 0.17 H new ATOM 0 HB ILE A 101 -10.400 4.066 -2.955 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -8.202 2.015 -2.406 1.00 0.19 H new ATOM 0 HG13 ILE A 101 -7.884 3.481 -3.313 1.00 0.19 H new ATOM 0 HG21 ILE A 101 -10.803 2.428 -1.143 1.00 0.22 H new ATOM 0 HG22 ILE A 101 -11.863 2.110 -2.536 1.00 0.22 H new ATOM 0 HG23 ILE A 101 -10.428 1.095 -2.260 1.00 0.22 H new ATOM 0 HD11 ILE A 101 -7.346 3.802 -0.910 1.00 0.25 H new ATOM 0 HD12 ILE A 101 -8.693 4.861 -1.391 1.00 0.25 H new ATOM 0 HD13 ILE A 101 -9.016 3.373 -0.470 1.00 0.25 H new ATOM 1560 N ASN A 102 -12.210 3.356 -5.271 1.00 0.22 N ATOM 1561 CA ASN A 102 -13.621 3.147 -5.700 1.00 0.26 C ATOM 1562 C ASN A 102 -13.629 2.558 -7.111 1.00 0.26 C ATOM 1563 O ASN A 102 -14.667 2.273 -7.673 1.00 0.29 O ATOM 1564 CB ASN A 102 -14.359 4.488 -5.700 1.00 0.30 C ATOM 1565 CG ASN A 102 -15.866 4.244 -5.803 1.00 0.40 C ATOM 1566 OD1 ASN A 102 -16.295 3.185 -6.215 1.00 0.85 O ATOM 1567 ND2 ASN A 102 -16.693 5.188 -5.443 1.00 0.83 N ATOM 0 H ASN A 102 -11.897 4.327 -5.264 1.00 0.22 H new ATOM 0 HA ASN A 102 -14.119 2.463 -5.012 1.00 0.26 H new ATOM 0 HB2 ASN A 102 -14.131 5.040 -4.788 1.00 0.30 H new ATOM 0 HB3 ASN A 102 -14.021 5.100 -6.536 1.00 0.30 H new ATOM 0 HD21 ASN A 102 -17.700 5.036 -5.508 1.00 0.83 H new ATOM 0 HD22 ASN A 102 -16.333 6.077 -5.097 1.00 0.83 H new ATOM 1574 N GLU A 103 -12.472 2.377 -7.685 1.00 0.24 N ATOM 1575 CA GLU A 103 -12.397 1.808 -9.059 1.00 0.28 C ATOM 1576 C GLU A 103 -12.529 0.282 -8.992 1.00 0.29 C ATOM 1577 O GLU A 103 -13.377 -0.306 -9.634 1.00 0.33 O ATOM 1578 CB GLU A 103 -11.046 2.177 -9.685 1.00 0.29 C ATOM 1579 CG GLU A 103 -11.120 2.009 -11.205 1.00 0.36 C ATOM 1580 CD GLU A 103 -9.741 2.271 -11.815 1.00 1.18 C ATOM 1581 OE1 GLU A 103 -8.818 1.548 -11.476 1.00 1.88 O ATOM 1582 OE2 GLU A 103 -9.632 3.188 -12.611 1.00 1.96 O ATOM 0 H GLU A 103 -11.572 2.600 -7.260 1.00 0.24 H new ATOM 0 HA GLU A 103 -13.206 2.213 -9.666 1.00 0.28 H new ATOM 0 HB2 GLU A 103 -10.787 3.206 -9.435 1.00 0.29 H new ATOM 0 HB3 GLU A 103 -10.259 1.542 -9.277 1.00 0.29 H new ATOM 0 HG2 GLU A 103 -11.454 1.002 -11.454 1.00 0.36 H new ATOM 0 HG3 GLU A 103 -11.852 2.701 -11.623 1.00 0.36 H new ATOM 1589 N LEU A 104 -11.687 -0.361 -8.224 1.00 0.28 N ATOM 1590 CA LEU A 104 -11.742 -1.852 -8.115 1.00 0.31 C ATOM 1591 C LEU A 104 -12.495 -2.255 -6.844 1.00 0.32 C ATOM 1592 O LEU A 104 -12.384 -3.371 -6.376 1.00 0.37 O ATOM 1593 CB LEU A 104 -10.314 -2.403 -8.050 1.00 0.33 C ATOM 1594 CG LEU A 104 -9.518 -1.962 -9.293 1.00 0.38 C ATOM 1595 CD1 LEU A 104 -8.018 -2.059 -9.001 1.00 0.37 C ATOM 1596 CD2 LEU A 104 -9.856 -2.869 -10.485 1.00 0.57 C ATOM 0 H LEU A 104 -10.960 0.084 -7.664 1.00 0.28 H new ATOM 0 HA LEU A 104 -12.260 -2.258 -8.984 1.00 0.31 H new ATOM 0 HB2 LEU A 104 -9.819 -2.046 -7.147 1.00 0.33 H new ATOM 0 HB3 LEU A 104 -10.338 -3.491 -7.992 1.00 0.33 H new ATOM 0 HG LEU A 104 -9.784 -0.933 -9.535 1.00 0.38 H new ATOM 0 HD11 LEU A 104 -7.455 -1.747 -9.881 1.00 0.37 H new ATOM 0 HD12 LEU A 104 -7.768 -1.410 -8.161 1.00 0.37 H new ATOM 0 HD13 LEU A 104 -7.762 -3.089 -8.753 1.00 0.37 H new ATOM 0 HD21 LEU A 104 -9.288 -2.549 -11.358 1.00 0.57 H new ATOM 0 HD22 LEU A 104 -9.598 -3.900 -10.242 1.00 0.57 H new ATOM 0 HD23 LEU A 104 -10.922 -2.803 -10.701 1.00 0.57 H new ATOM 1608 N VAL A 105 -13.262 -1.362 -6.279 1.00 0.29 N ATOM 1609 CA VAL A 105 -14.016 -1.711 -5.041 1.00 0.33 C ATOM 1610 C VAL A 105 -15.082 -2.756 -5.372 1.00 0.39 C ATOM 1611 O VAL A 105 -15.382 -3.563 -4.508 1.00 1.16 O ATOM 1612 CB VAL A 105 -14.688 -0.457 -4.478 1.00 0.32 C ATOM 1613 CG1 VAL A 105 -15.613 0.144 -5.535 1.00 0.33 C ATOM 1614 CG2 VAL A 105 -15.507 -0.832 -3.242 1.00 0.38 C ATOM 1615 OXT VAL A 105 -15.582 -2.732 -6.485 1.00 1.10 O ATOM 0 H VAL A 105 -13.399 -0.410 -6.619 1.00 0.29 H new ATOM 0 HA VAL A 105 -13.327 -2.115 -4.299 1.00 0.33 H new ATOM 0 HB VAL A 105 -13.926 0.272 -4.205 1.00 0.32 H new ATOM 0 HG11 VAL A 105 -16.092 1.037 -5.134 1.00 0.33 H new ATOM 0 HG12 VAL A 105 -15.032 0.409 -6.418 1.00 0.33 H new ATOM 0 HG13 VAL A 105 -16.376 -0.585 -5.808 1.00 0.33 H new ATOM 0 HG21 VAL A 105 -15.987 0.060 -2.839 1.00 0.38 H new ATOM 0 HG22 VAL A 105 -16.269 -1.561 -3.518 1.00 0.38 H new ATOM 0 HG23 VAL A 105 -14.850 -1.263 -2.487 1.00 0.38 H new TER 1625 VAL A 105 HETATM 1626 O HOH A 201 -5.577 -10.890 -2.372 1.00 0.37 O HETATM 1629 O HOH A 202 8.737 -2.394 6.642 1.00 0.61 O HETATM 1632 O HOH A 203 11.610 3.173 4.203 1.00 0.24 O HETATM 1635 O HOH A 204 -7.946 -9.889 -1.229 1.00 0.37 O HETATM 1638 O HOH A 205 -5.824 -13.472 -1.155 1.00 0.37 O HETATM 1641 O HOH A 206 -11.650 -4.804 0.274 1.00 0.36 O HETATM 1644 O HOH A 207 -10.116 -0.997 5.904 1.00 0.50 O