USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -0.132 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.141 K(o=0.0093,f=-1.5) USER MOD Set 2.1: A 7 THR OG1 : rot 134:sc= 1.1 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.671 USER MOD Single : A 1 MET CE :methyl -152:sc= 0 (180deg=-0.187) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.28 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.964 (180deg=0.112) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 14 THR OG1 : rot -86:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 1.52 (180deg=1.45) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0962) USER MOD Single : A 31 GLN : amide:sc= -0.441 K(o=-0.44,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 THR OG1 : rot -88:sc= 2.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.404 USER MOD Single : A 60 ASN : amide:sc= -0.0502 K(o=-0.05,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.16) USER MOD Single : A 65 SER OG : rot 101:sc= 0.784 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.275 K(o=0.28,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.090 4.949 -1.712 1.00 9.67 N ATOM 2 CA MET A 1 -11.729 5.404 -0.351 1.00 10.38 C ATOM 3 C MET A 1 -10.337 5.930 -0.276 1.00 9.62 C ATOM 4 O MET A 1 -9.519 5.619 -1.140 1.00 9.62 O ATOM 5 CB MET A 1 -12.015 4.251 0.626 1.00 13.77 C ATOM 6 CG MET A 1 -11.070 3.052 0.510 1.00 16.29 C ATOM 7 SD MET A 1 -11.396 1.833 1.818 1.00 17.17 S ATOM 8 CE MET A 1 -9.746 1.081 1.719 1.00 16.11 C ATOM 0 H1 MET A 1 -12.821 4.212 -1.649 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.456 5.753 -2.261 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.248 4.562 -2.184 1.00 9.67 H new ATOM 0 HA MET A 1 -12.342 6.259 -0.066 1.00 10.38 H new ATOM 0 HB2 MET A 1 -11.964 4.637 1.644 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.036 3.906 0.467 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.191 2.583 -0.467 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.036 3.392 0.575 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.803 0.037 2.027 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.381 1.138 0.693 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.062 1.617 2.377 1.00 16.11 H new ATOM 20 N GLN A 2 -9.952 6.637 0.802 1.00 9.27 N ATOM 21 CA GLN A 2 -8.571 6.971 0.964 1.00 9.07 C ATOM 22 C GLN A 2 -7.879 6.111 1.965 1.00 8.72 C ATOM 23 O GLN A 2 -8.346 5.646 3.003 1.00 8.22 O ATOM 24 CB GLN A 2 -8.430 8.417 1.467 1.00 14.46 C ATOM 25 CG GLN A 2 -9.048 9.345 0.420 1.00 17.01 C ATOM 26 CD GLN A 2 -8.958 10.835 0.716 1.00 20.10 C ATOM 27 OE1 GLN A 2 -7.991 11.553 0.465 1.00 21.89 O ATOM 28 NE2 GLN A 2 -9.997 11.329 1.442 1.00 19.49 N ATOM 0 H GLN A 2 -10.574 6.968 1.540 1.00 9.27 H new ATOM 0 HA GLN A 2 -8.117 6.827 -0.017 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -8.933 8.537 2.427 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -7.380 8.665 1.624 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.563 9.155 -0.537 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.099 9.080 0.303 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -10.800 10.736 1.652 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.973 12.292 1.777 1.00 19.49 H new ATOM 37 N ILE A 3 -6.577 5.856 1.743 1.00 5.87 N ATOM 38 CA ILE A 3 -5.636 5.239 2.625 1.00 5.07 C ATOM 39 C ILE A 3 -4.486 6.186 2.641 1.00 4.01 C ATOM 40 O ILE A 3 -4.320 7.067 1.799 1.00 4.61 O ATOM 41 CB ILE A 3 -5.264 3.830 2.270 1.00 6.55 C ATOM 42 CG1 ILE A 3 -4.622 3.641 0.886 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.526 2.960 2.400 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.237 2.185 0.625 1.00 10.83 C ATOM 0 H ILE A 3 -6.143 6.109 0.855 1.00 5.87 H new ATOM 0 HA ILE A 3 -6.062 5.089 3.617 1.00 5.07 H new ATOM 0 HB ILE A 3 -4.482 3.528 2.966 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.317 3.975 0.116 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -3.735 4.269 0.809 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.284 1.928 2.147 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -6.895 3.006 3.425 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.294 3.329 1.721 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.787 2.099 -0.364 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.521 1.857 1.379 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.128 1.559 0.674 1.00 10.83 H new ATOM 56 N PHE A 4 -3.650 5.965 3.672 1.00 4.55 N ATOM 57 CA PHE A 4 -2.486 6.745 3.959 1.00 4.68 C ATOM 58 C PHE A 4 -1.357 5.772 3.954 1.00 5.30 C ATOM 59 O PHE A 4 -1.087 5.103 4.951 1.00 5.58 O ATOM 60 CB PHE A 4 -2.375 7.534 5.274 1.00 4.83 C ATOM 61 CG PHE A 4 -3.456 8.558 5.327 1.00 7.97 C ATOM 62 CD1 PHE A 4 -3.286 9.728 4.626 1.00 8.34 C ATOM 63 CD2 PHE A 4 -4.661 8.242 5.910 1.00 6.69 C ATOM 64 CE1 PHE A 4 -4.335 10.604 4.476 1.00 10.61 C ATOM 65 CE2 PHE A 4 -5.718 9.098 5.705 1.00 9.10 C ATOM 66 CZ PHE A 4 -5.571 10.244 4.960 1.00 8.90 C ATOM 0 H PHE A 4 -3.793 5.205 4.337 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.504 7.535 3.208 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -2.457 6.858 6.125 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -1.399 8.015 5.342 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -2.325 9.960 4.191 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -4.774 7.351 6.509 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -4.191 11.556 3.988 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -6.680 8.866 6.137 1.00 9.10 H new ATOM 0 HZ PHE A 4 -6.430 10.865 4.754 1.00 8.90 H new ATOM 76 N VAL A 5 -0.591 5.751 2.850 1.00 4.44 N ATOM 77 CA VAL A 5 0.613 4.983 2.776 1.00 3.87 C ATOM 78 C VAL A 5 1.732 5.888 3.163 1.00 4.93 C ATOM 79 O VAL A 5 1.816 6.979 2.601 1.00 6.84 O ATOM 80 CB VAL A 5 0.667 4.471 1.367 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.956 3.642 1.239 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.554 3.556 1.173 1.00 9.13 C ATOM 0 H VAL A 5 -0.808 6.271 2.000 1.00 4.44 H new ATOM 0 HA VAL A 5 0.672 4.126 3.446 1.00 3.87 H new ATOM 0 HB VAL A 5 0.659 5.273 0.629 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.036 3.248 0.226 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.818 4.274 1.452 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.929 2.815 1.948 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.554 3.160 0.157 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.507 2.731 1.884 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.467 4.127 1.340 1.00 9.13 H new ATOM 92 N LYS A 6 2.558 5.581 4.179 1.00 6.04 N ATOM 93 CA LYS A 6 3.547 6.455 4.729 1.00 6.12 C ATOM 94 C LYS A 6 4.896 5.822 4.698 1.00 6.57 C ATOM 95 O LYS A 6 4.978 4.607 4.867 1.00 5.76 O ATOM 96 CB LYS A 6 3.304 7.017 6.140 1.00 7.45 C ATOM 97 CG LYS A 6 1.972 7.749 6.314 1.00 11.12 C ATOM 98 CD LYS A 6 1.743 8.258 7.738 1.00 14.54 C ATOM 99 CE LYS A 6 2.766 9.292 8.209 1.00 18.84 C ATOM 100 NZ LYS A 6 2.250 9.980 9.414 1.00 20.55 N ATOM 0 H LYS A 6 2.534 4.672 4.642 1.00 6.04 H new ATOM 0 HA LYS A 6 3.476 7.320 4.069 1.00 6.12 H new ATOM 0 HB2 LYS A 6 3.349 6.197 6.856 1.00 7.45 H new ATOM 0 HB3 LYS A 6 4.115 7.702 6.389 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.936 8.592 5.624 1.00 11.12 H new ATOM 0 HG3 LYS A 6 1.158 7.078 6.040 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.747 8.696 7.799 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.760 7.409 8.422 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.715 8.805 8.433 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.958 10.016 7.417 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.945 10.684 9.736 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.355 10.457 9.185 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 2.088 9.283 10.169 1.00 20.55 H new ATOM 114 N THR A 7 5.993 6.599 4.635 1.00 7.41 N ATOM 115 CA THR A 7 7.316 6.062 4.708 1.00 7.48 C ATOM 116 C THR A 7 7.879 5.921 6.080 1.00 8.75 C ATOM 117 O THR A 7 7.306 6.350 7.080 1.00 8.58 O ATOM 118 CB THR A 7 8.186 6.885 3.804 1.00 9.61 C ATOM 119 OG1 THR A 7 8.214 8.223 4.277 1.00 11.78 O ATOM 120 CG2 THR A 7 7.713 6.996 2.344 1.00 9.17 C ATOM 0 H THR A 7 5.961 7.613 4.532 1.00 7.41 H new ATOM 0 HA THR A 7 7.276 5.025 4.374 1.00 7.48 H new ATOM 0 HB THR A 7 9.146 6.369 3.819 1.00 9.61 H new ATOM 0 HG1 THR A 7 9.138 8.550 4.279 1.00 11.78 H new ATOM 0 HG21 THR A 7 8.414 7.612 1.780 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.666 6.002 1.900 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.724 7.453 2.316 1.00 9.17 H new ATOM 128 N LEU A 8 9.135 5.450 6.180 1.00 9.84 N ATOM 129 CA LEU A 8 9.930 5.686 7.345 1.00 14.15 C ATOM 130 C LEU A 8 10.377 7.077 7.637 1.00 17.37 C ATOM 131 O LEU A 8 10.261 7.636 8.726 1.00 17.01 O ATOM 132 CB LEU A 8 11.081 4.677 7.495 1.00 16.63 C ATOM 133 CG LEU A 8 11.910 4.736 8.789 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.046 4.321 9.992 1.00 18.59 C ATOM 135 CD2 LEU A 8 13.110 3.784 8.655 1.00 19.31 C ATOM 0 H LEU A 8 9.600 4.905 5.454 1.00 9.84 H new ATOM 0 HA LEU A 8 9.190 5.517 8.128 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.663 3.674 7.408 1.00 16.63 H new ATOM 0 HB3 LEU A 8 11.760 4.813 6.653 1.00 16.63 H new ATOM 0 HG LEU A 8 12.262 5.755 8.950 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.644 4.367 10.902 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.197 4.999 10.081 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.684 3.303 9.846 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.705 3.818 9.568 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.752 2.767 8.493 1.00 19.31 H new ATOM 0 HD23 LEU A 8 13.725 4.091 7.809 1.00 19.31 H new ATOM 147 N THR A 9 10.765 7.802 6.572 1.00 18.33 N ATOM 148 CA THR A 9 11.413 9.065 6.745 1.00 19.24 C ATOM 149 C THR A 9 10.480 10.095 7.284 1.00 19.48 C ATOM 150 O THR A 9 10.662 10.684 8.349 1.00 23.14 O ATOM 151 CB THR A 9 11.940 9.526 5.419 1.00 18.97 C ATOM 152 OG1 THR A 9 11.066 9.029 4.416 1.00 20.24 O ATOM 153 CG2 THR A 9 13.296 8.811 5.297 1.00 19.70 C ATOM 0 H THR A 9 10.632 7.518 5.601 1.00 18.33 H new ATOM 0 HA THR A 9 12.224 8.937 7.462 1.00 19.24 H new ATOM 0 HB THR A 9 12.022 10.609 5.324 1.00 18.97 H new ATOM 0 HG1 THR A 9 11.383 9.316 3.534 1.00 20.24 H new ATOM 0 HG21 THR A 9 13.767 9.084 4.353 1.00 19.70 H new ATOM 0 HG22 THR A 9 13.940 9.110 6.124 1.00 19.70 H new ATOM 0 HG23 THR A 9 13.143 7.732 5.328 1.00 19.70 H new ATOM 161 N GLY A 10 9.354 10.336 6.589 1.00 19.43 N ATOM 162 CA GLY A 10 8.368 11.316 6.923 1.00 18.74 C ATOM 163 C GLY A 10 7.540 11.797 5.782 1.00 17.62 C ATOM 164 O GLY A 10 6.910 12.854 5.777 1.00 19.74 O ATOM 0 H GLY A 10 9.119 9.815 5.744 1.00 19.43 H new ATOM 0 HA2 GLY A 10 7.706 10.898 7.681 1.00 18.74 H new ATOM 0 HA3 GLY A 10 8.869 12.173 7.374 1.00 18.74 H new ATOM 168 N LYS A 11 7.409 10.981 4.721 1.00 13.56 N ATOM 169 CA LYS A 11 6.425 11.189 3.704 1.00 11.91 C ATOM 170 C LYS A 11 5.201 10.345 3.802 1.00 10.18 C ATOM 171 O LYS A 11 5.255 9.237 4.334 1.00 9.10 O ATOM 172 CB LYS A 11 7.093 10.883 2.352 1.00 13.43 C ATOM 173 CG LYS A 11 6.272 11.173 1.094 1.00 16.69 C ATOM 174 CD LYS A 11 7.146 10.948 -0.141 1.00 17.92 C ATOM 175 CE LYS A 11 6.492 11.731 -1.282 1.00 20.81 C ATOM 176 NZ LYS A 11 7.261 11.406 -2.504 1.00 21.93 N ATOM 0 H LYS A 11 7.997 10.162 4.566 1.00 13.56 H new ATOM 0 HA LYS A 11 6.085 12.218 3.819 1.00 11.91 H new ATOM 0 HB2 LYS A 11 8.018 11.456 2.293 1.00 13.43 H new ATOM 0 HB3 LYS A 11 7.370 9.829 2.341 1.00 13.43 H new ATOM 0 HG2 LYS A 11 5.397 10.523 1.058 1.00 16.69 H new ATOM 0 HG3 LYS A 11 5.906 12.200 1.113 1.00 16.69 H new ATOM 0 HD2 LYS A 11 8.164 11.296 0.035 1.00 17.92 H new ATOM 0 HD3 LYS A 11 7.209 9.887 -0.384 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.445 11.451 -1.396 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.515 12.802 -1.082 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.643 11.492 -3.336 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 8.060 12.065 -2.597 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 7.621 10.432 -2.439 1.00 21.93 H new ATOM 190 N THR A 12 4.037 10.858 3.364 1.00 9.63 N ATOM 191 CA THR A 12 2.743 10.249 3.340 1.00 9.85 C ATOM 192 C THR A 12 2.296 10.356 1.923 1.00 11.66 C ATOM 193 O THR A 12 2.463 11.398 1.290 1.00 12.33 O ATOM 194 CB THR A 12 1.681 10.937 4.144 1.00 10.85 C ATOM 195 OG1 THR A 12 1.991 10.955 5.529 1.00 10.91 O ATOM 196 CG2 THR A 12 0.273 10.324 4.059 1.00 9.63 C ATOM 0 H THR A 12 4.003 11.805 2.985 1.00 9.63 H new ATOM 0 HA THR A 12 2.852 9.248 3.757 1.00 9.85 H new ATOM 0 HB THR A 12 1.668 11.929 3.693 1.00 10.85 H new ATOM 0 HG1 THR A 12 1.276 11.413 6.018 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.413 10.901 4.679 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.070 10.342 3.024 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.303 9.294 4.414 1.00 9.63 H new ATOM 204 N ILE A 13 1.720 9.310 1.306 1.00 10.42 N ATOM 205 CA ILE A 13 1.154 9.337 -0.007 1.00 11.84 C ATOM 206 C ILE A 13 -0.261 8.930 0.222 1.00 10.55 C ATOM 207 O ILE A 13 -0.567 7.786 0.557 1.00 11.92 O ATOM 208 CB ILE A 13 1.889 8.448 -0.966 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.253 9.125 -1.180 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.174 8.146 -2.294 1.00 17.08 C ATOM 211 CD1 ILE A 13 4.250 8.458 -2.127 1.00 16.46 C ATOM 0 H ILE A 13 1.645 8.394 1.748 1.00 10.42 H new ATOM 0 HA ILE A 13 1.225 10.314 -0.485 1.00 11.84 H new ATOM 0 HB ILE A 13 1.970 7.451 -0.533 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.069 10.135 -1.547 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.733 9.222 -0.206 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.800 7.495 -2.905 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.225 7.650 -2.092 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.990 9.078 -2.828 1.00 17.08 H new ATOM 0 HD11 ILE A 13 5.162 9.053 -2.173 1.00 16.46 H new ATOM 0 HD12 ILE A 13 4.487 7.459 -1.761 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.813 8.386 -3.123 1.00 16.46 H new ATOM 223 N THR A 14 -1.217 9.860 0.049 1.00 9.39 N ATOM 224 CA THR A 14 -2.616 9.570 0.098 1.00 9.63 C ATOM 225 C THR A 14 -3.151 8.969 -1.156 1.00 11.20 C ATOM 226 O THR A 14 -3.072 9.537 -2.244 1.00 11.63 O ATOM 227 CB THR A 14 -3.333 10.839 0.454 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.873 11.236 1.737 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.863 10.748 0.575 1.00 11.66 C ATOM 0 H THR A 14 -1.011 10.843 -0.130 1.00 9.39 H new ATOM 0 HA THR A 14 -2.784 8.805 0.856 1.00 9.63 H new ATOM 0 HB THR A 14 -3.121 11.526 -0.365 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.406 10.790 2.428 1.00 16.30 H new ATOM 0 HG21 THR A 14 -5.266 11.727 0.836 1.00 11.66 H new ATOM 0 HG22 THR A 14 -5.285 10.424 -0.376 1.00 11.66 H new ATOM 0 HG23 THR A 14 -5.124 10.029 1.352 1.00 11.66 H new ATOM 237 N LEU A 15 -3.697 7.740 -1.137 1.00 8.29 N ATOM 238 CA LEU A 15 -4.121 7.054 -2.318 1.00 9.03 C ATOM 239 C LEU A 15 -5.598 6.875 -2.392 1.00 8.59 C ATOM 240 O LEU A 15 -6.201 6.631 -1.348 1.00 7.79 O ATOM 241 CB LEU A 15 -3.444 5.673 -2.273 1.00 11.08 C ATOM 242 CG LEU A 15 -1.918 5.711 -2.462 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.514 4.242 -2.255 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.608 6.139 -3.906 1.00 15.88 C ATOM 0 H LEU A 15 -3.848 7.210 -0.279 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.843 7.639 -3.195 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.668 5.202 -1.316 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.879 5.042 -3.048 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.400 6.399 -1.794 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.434 4.142 -2.367 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.806 3.922 -1.255 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.014 3.619 -2.996 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.528 6.170 -4.053 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.048 5.423 -4.600 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.027 7.128 -4.090 1.00 15.88 H new ATOM 256 N GLU A 16 -6.157 6.939 -3.614 1.00 11.04 N ATOM 257 CA GLU A 16 -7.546 6.674 -3.826 1.00 11.50 C ATOM 258 C GLU A 16 -7.636 5.282 -4.350 1.00 10.13 C ATOM 259 O GLU A 16 -7.481 5.055 -5.549 1.00 9.83 O ATOM 260 CB GLU A 16 -8.189 7.682 -4.794 1.00 17.22 C ATOM 261 CG GLU A 16 -8.314 9.098 -4.228 1.00 23.33 C ATOM 262 CD GLU A 16 -8.844 10.061 -5.280 1.00 26.99 C ATOM 263 OE1 GLU A 16 -8.132 10.574 -6.184 1.00 28.86 O ATOM 264 OE2 GLU A 16 -10.082 10.291 -5.242 1.00 28.90 O ATOM 0 H GLU A 16 -5.642 7.176 -4.462 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.099 6.779 -2.892 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.598 7.719 -5.709 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.181 7.323 -5.069 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -8.982 9.091 -3.367 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -7.341 9.439 -3.875 1.00 23.33 H new ATOM 271 N VAL A 17 -7.937 4.354 -3.424 1.00 8.99 N ATOM 272 CA VAL A 17 -8.177 2.974 -3.713 1.00 8.85 C ATOM 273 C VAL A 17 -9.621 2.610 -3.660 1.00 8.04 C ATOM 274 O VAL A 17 -10.431 3.376 -3.140 1.00 8.99 O ATOM 275 CB VAL A 17 -7.462 2.122 -2.707 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.970 1.940 -3.034 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.648 2.706 -1.296 1.00 10.54 C ATOM 0 H VAL A 17 -8.017 4.575 -2.431 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.815 2.804 -4.727 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.908 1.128 -2.748 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.504 1.315 -2.272 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.867 1.462 -4.008 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.480 2.914 -3.054 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.126 2.081 -0.572 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.241 3.717 -1.264 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.710 2.735 -1.051 1.00 10.54 H new ATOM 287 N GLU A 18 -9.974 1.365 -4.026 1.00 7.29 N ATOM 288 CA GLU A 18 -11.257 0.750 -3.885 1.00 7.08 C ATOM 289 C GLU A 18 -11.047 -0.463 -3.044 1.00 6.45 C ATOM 290 O GLU A 18 -9.986 -1.068 -3.183 1.00 5.28 O ATOM 291 CB GLU A 18 -11.902 0.258 -5.191 1.00 10.28 C ATOM 292 CG GLU A 18 -12.492 1.436 -5.969 1.00 12.65 C ATOM 293 CD GLU A 18 -13.984 1.711 -5.846 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.382 2.069 -4.706 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.741 1.619 -6.849 1.00 18.17 O ATOM 0 H GLU A 18 -9.300 0.734 -4.459 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.923 1.507 -3.472 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.158 -0.254 -5.802 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.684 -0.467 -4.967 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.962 2.337 -5.660 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -12.269 1.282 -7.025 1.00 12.65 H new ATOM 302 N PRO A 19 -11.976 -0.962 -2.284 1.00 7.24 N ATOM 303 CA PRO A 19 -11.712 -2.032 -1.367 1.00 7.07 C ATOM 304 C PRO A 19 -11.401 -3.346 -1.997 1.00 6.65 C ATOM 305 O PRO A 19 -10.953 -4.293 -1.353 1.00 6.37 O ATOM 306 CB PRO A 19 -12.874 -1.991 -0.378 1.00 7.61 C ATOM 307 CG PRO A 19 -14.067 -1.456 -1.186 1.00 8.16 C ATOM 308 CD PRO A 19 -13.340 -0.480 -2.125 1.00 7.49 C ATOM 0 HA PRO A 19 -10.770 -1.893 -0.837 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.083 -2.982 0.026 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.649 -1.343 0.469 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.590 -2.244 -1.728 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.805 -0.958 -0.558 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.844 -0.429 -3.090 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.345 0.528 -1.709 1.00 7.49 H new ATOM 316 N SER A 20 -11.703 -3.450 -3.304 1.00 6.80 N ATOM 317 CA SER A 20 -11.538 -4.573 -4.174 1.00 6.28 C ATOM 318 C SER A 20 -10.329 -4.512 -5.043 1.00 8.45 C ATOM 319 O SER A 20 -10.223 -5.401 -5.887 1.00 7.26 O ATOM 320 CB SER A 20 -12.891 -4.843 -4.854 1.00 8.57 C ATOM 321 OG SER A 20 -13.139 -3.863 -5.852 1.00 11.13 O ATOM 0 H SER A 20 -12.107 -2.657 -3.803 1.00 6.80 H new ATOM 0 HA SER A 20 -11.286 -5.466 -3.602 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.890 -5.837 -5.301 1.00 8.57 H new ATOM 0 HB3 SER A 20 -13.689 -4.828 -4.112 1.00 8.57 H new ATOM 0 HG SER A 20 -14.001 -4.044 -6.281 1.00 11.13 H new ATOM 327 N ASP A 21 -9.482 -3.472 -4.951 1.00 7.50 N ATOM 328 CA ASP A 21 -8.154 -3.581 -5.472 1.00 7.70 C ATOM 329 C ASP A 21 -7.332 -4.493 -4.628 1.00 7.08 C ATOM 330 O ASP A 21 -7.571 -4.771 -3.454 1.00 8.11 O ATOM 331 CB ASP A 21 -7.475 -2.212 -5.298 1.00 11.00 C ATOM 332 CG ASP A 21 -7.913 -1.365 -6.484 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.732 -1.828 -7.642 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.467 -0.244 -6.335 1.00 18.03 O ATOM 0 H ASP A 21 -9.709 -2.573 -4.525 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.218 -3.931 -6.502 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.772 -1.747 -4.358 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.390 -2.316 -5.274 1.00 11.00 H new ATOM 339 N THR A 22 -6.321 -5.028 -5.335 1.00 5.37 N ATOM 340 CA THR A 22 -5.295 -5.826 -4.738 1.00 6.01 C ATOM 341 C THR A 22 -4.236 -4.919 -4.214 1.00 8.01 C ATOM 342 O THR A 22 -4.090 -3.733 -4.505 1.00 8.11 O ATOM 343 CB THR A 22 -4.656 -6.809 -5.674 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.478 -6.287 -6.983 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.445 -8.105 -5.923 1.00 9.65 C ATOM 0 H THR A 22 -6.214 -4.904 -6.342 1.00 5.37 H new ATOM 0 HA THR A 22 -5.774 -6.410 -3.952 1.00 6.01 H new ATOM 0 HB THR A 22 -3.724 -7.015 -5.148 1.00 8.92 H new ATOM 0 HG1 THR A 22 -4.057 -6.966 -7.551 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.891 -8.741 -6.613 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.587 -8.631 -4.979 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.417 -7.862 -6.353 1.00 9.65 H new ATOM 353 N ILE A 23 -3.405 -5.456 -3.303 1.00 8.32 N ATOM 354 CA ILE A 23 -2.149 -4.888 -2.923 1.00 9.92 C ATOM 355 C ILE A 23 -1.189 -4.673 -4.042 1.00 10.01 C ATOM 356 O ILE A 23 -0.403 -3.731 -4.127 1.00 8.71 O ATOM 357 CB ILE A 23 -1.445 -5.728 -1.898 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.388 -6.154 -0.760 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.265 -4.950 -1.291 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.971 -5.039 0.107 1.00 12.30 C ATOM 0 H ILE A 23 -3.618 -6.323 -2.810 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.431 -3.914 -2.523 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.088 -6.622 -2.410 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.216 -6.713 -1.196 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.847 -6.842 -0.110 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.237 -5.571 -0.549 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.440 -4.685 -2.079 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.635 -4.042 -0.814 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.617 -5.472 0.870 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.161 -4.490 0.587 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.551 -4.359 -0.517 1.00 12.30 H new ATOM 372 N GLU A 24 -1.267 -5.501 -5.099 1.00 9.54 N ATOM 373 CA GLU A 24 -0.458 -5.332 -6.266 1.00 11.81 C ATOM 374 C GLU A 24 -0.780 -4.028 -6.911 1.00 11.14 C ATOM 375 O GLU A 24 0.147 -3.315 -7.292 1.00 10.62 O ATOM 376 CB GLU A 24 -0.793 -6.508 -7.199 1.00 19.24 C ATOM 377 CG GLU A 24 0.117 -6.714 -8.411 1.00 27.76 C ATOM 378 CD GLU A 24 -0.200 -8.136 -8.849 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.303 -8.371 -9.411 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.666 -9.034 -8.672 1.00 34.80 O ATOM 0 H GLU A 24 -1.901 -6.299 -5.144 1.00 9.54 H new ATOM 0 HA GLU A 24 0.606 -5.324 -6.028 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.782 -7.423 -6.608 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.813 -6.374 -7.560 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.095 -5.993 -9.201 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.169 -6.599 -8.149 1.00 27.76 H new ATOM 387 N ASN A 25 -2.074 -3.706 -7.083 1.00 9.43 N ATOM 388 CA ASN A 25 -2.544 -2.471 -7.630 1.00 10.96 C ATOM 389 C ASN A 25 -1.983 -1.272 -6.947 1.00 9.68 C ATOM 390 O ASN A 25 -1.463 -0.356 -7.583 1.00 9.33 O ATOM 391 CB ASN A 25 -4.082 -2.484 -7.651 1.00 16.78 C ATOM 392 CG ASN A 25 -4.643 -3.672 -8.419 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.930 -4.397 -9.112 1.00 25.66 O ATOM 394 ND2 ASN A 25 -5.990 -3.825 -8.320 1.00 24.70 N ATOM 0 H ASN A 25 -2.831 -4.340 -6.827 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.179 -2.388 -8.654 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.456 -2.507 -6.628 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.444 -1.560 -8.102 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -6.458 -4.570 -8.836 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -6.533 -3.195 -7.730 1.00 24.70 H new ATOM 401 N VAL A 26 -2.118 -1.239 -5.609 1.00 6.52 N ATOM 402 CA VAL A 26 -1.547 -0.264 -4.732 1.00 5.53 C ATOM 403 C VAL A 26 -0.119 0.038 -5.032 1.00 4.42 C ATOM 404 O VAL A 26 0.314 1.189 -5.054 1.00 3.40 O ATOM 405 CB VAL A 26 -1.725 -0.549 -3.271 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.327 0.623 -2.357 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.204 -0.833 -2.957 1.00 8.12 C ATOM 0 H VAL A 26 -2.663 -1.941 -5.107 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.135 0.629 -4.946 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.076 -1.402 -3.075 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.483 0.342 -1.316 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.276 0.866 -2.513 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.939 1.493 -2.594 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.317 -1.038 -1.892 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.806 0.035 -3.225 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.538 -1.698 -3.531 1.00 8.12 H new ATOM 417 N LYS A 27 0.666 -1.048 -5.146 1.00 2.64 N ATOM 418 CA LYS A 27 2.056 -0.904 -5.450 1.00 4.14 C ATOM 419 C LYS A 27 2.351 -0.230 -6.746 1.00 5.58 C ATOM 420 O LYS A 27 3.356 0.446 -6.957 1.00 4.11 O ATOM 421 CB LYS A 27 2.839 -2.228 -5.469 1.00 3.97 C ATOM 422 CG LYS A 27 2.879 -2.983 -4.140 1.00 7.45 C ATOM 423 CD LYS A 27 3.704 -4.272 -4.155 1.00 9.02 C ATOM 424 CE LYS A 27 3.938 -4.865 -2.764 1.00 12.90 C ATOM 425 NZ LYS A 27 4.788 -6.024 -3.118 1.00 15.47 N ATOM 0 H LYS A 27 0.346 -2.010 -5.030 1.00 2.64 H new ATOM 0 HA LYS A 27 2.384 -0.275 -4.623 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.400 -2.879 -6.225 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.863 -2.021 -5.781 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.282 -2.320 -3.374 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.858 -3.226 -3.846 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.197 -5.011 -4.775 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.668 -4.071 -4.622 1.00 9.02 H new ATOM 0 HE2 LYS A 27 4.441 -4.169 -2.093 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.010 -5.163 -2.276 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.232 -6.404 -2.258 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.203 -6.761 -3.560 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.527 -5.722 -3.785 1.00 15.47 H new ATOM 439 N ALA A 28 1.518 -0.484 -7.771 1.00 6.61 N ATOM 440 CA ALA A 28 1.544 0.237 -9.005 1.00 7.74 C ATOM 441 C ALA A 28 1.312 1.707 -8.919 1.00 9.17 C ATOM 442 O ALA A 28 1.940 2.511 -9.605 1.00 11.45 O ATOM 443 CB ALA A 28 0.618 -0.521 -9.971 1.00 7.68 C ATOM 0 H ALA A 28 0.805 -1.213 -7.740 1.00 6.61 H new ATOM 0 HA ALA A 28 2.564 0.252 -9.390 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.601 -0.011 -10.934 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.987 -1.538 -10.106 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.391 -0.552 -9.559 1.00 7.68 H new ATOM 449 N LYS A 29 0.385 2.129 -8.040 1.00 8.96 N ATOM 450 CA LYS A 29 0.108 3.524 -7.897 1.00 7.90 C ATOM 451 C LYS A 29 1.233 4.360 -7.390 1.00 6.92 C ATOM 452 O LYS A 29 1.524 5.437 -7.908 1.00 6.87 O ATOM 453 CB LYS A 29 -1.074 3.600 -6.916 1.00 10.28 C ATOM 454 CG LYS A 29 -2.402 3.001 -7.385 1.00 14.94 C ATOM 455 CD LYS A 29 -3.513 3.246 -6.363 1.00 19.69 C ATOM 456 CE LYS A 29 -4.723 2.323 -6.514 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.232 2.371 -7.903 1.00 24.98 N ATOM 0 H LYS A 29 -0.164 1.516 -7.438 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.095 3.936 -8.886 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.782 3.098 -5.994 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.243 4.648 -6.669 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.683 3.439 -8.343 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.283 1.930 -7.547 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -3.102 3.125 -5.361 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.847 4.280 -6.448 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.445 1.301 -6.256 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.508 2.624 -5.821 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.155 1.893 -7.951 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.339 3.362 -8.199 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.560 1.891 -8.536 1.00 24.98 H new ATOM 471 N ILE A 30 1.974 3.812 -6.410 1.00 4.57 N ATOM 472 CA ILE A 30 3.216 4.133 -5.780 1.00 5.58 C ATOM 473 C ILE A 30 4.325 4.142 -6.776 1.00 7.26 C ATOM 474 O ILE A 30 5.174 5.031 -6.765 1.00 9.46 O ATOM 475 CB ILE A 30 3.487 3.190 -4.646 1.00 5.36 C ATOM 476 CG1 ILE A 30 2.394 3.188 -3.564 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.823 3.593 -3.999 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.508 2.054 -2.547 1.00 2.00 C ATOM 0 H ILE A 30 1.612 2.963 -5.976 1.00 4.57 H new ATOM 0 HA ILE A 30 3.150 5.137 -5.362 1.00 5.58 H new ATOM 0 HB ILE A 30 3.513 2.183 -5.062 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.425 4.139 -3.033 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.420 3.126 -4.050 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.043 2.921 -3.170 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.620 3.528 -4.740 1.00 2.78 H new ATOM 0 HG23 ILE A 30 4.754 4.616 -3.629 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.697 2.132 -1.823 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.444 1.096 -3.062 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.465 2.124 -2.029 1.00 2.00 H new ATOM 490 N GLN A 31 4.365 3.116 -7.645 1.00 7.06 N ATOM 491 CA GLN A 31 5.351 2.913 -8.661 1.00 8.67 C ATOM 492 C GLN A 31 5.507 4.079 -9.575 1.00 10.90 C ATOM 493 O GLN A 31 6.616 4.533 -9.851 1.00 9.63 O ATOM 494 CB GLN A 31 5.193 1.652 -9.528 1.00 9.12 C ATOM 495 CG GLN A 31 6.270 1.542 -10.609 1.00 10.76 C ATOM 496 CD GLN A 31 6.357 0.210 -11.340 1.00 13.78 C ATOM 497 OE1 GLN A 31 7.481 -0.253 -11.525 1.00 14.48 O ATOM 498 NE2 GLN A 31 5.232 -0.342 -11.869 1.00 14.76 N ATOM 0 H GLN A 31 3.660 2.379 -7.636 1.00 7.06 H new ATOM 0 HA GLN A 31 6.246 2.776 -8.054 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.233 0.769 -8.890 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.210 1.660 -9.999 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.097 2.326 -11.346 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.238 1.744 -10.150 1.00 10.76 H new ATOM 0 HE21 GLN A 31 4.322 0.080 -11.686 1.00 14.76 H new ATOM 0 HE22 GLN A 31 5.299 -1.178 -12.449 1.00 14.76 H new ATOM 507 N ASP A 32 4.348 4.567 -10.051 1.00 10.93 N ATOM 508 CA ASP A 32 4.335 5.709 -10.911 1.00 14.01 C ATOM 509 C ASP A 32 4.839 6.986 -10.330 1.00 14.04 C ATOM 510 O ASP A 32 5.502 7.766 -11.011 1.00 13.39 O ATOM 511 CB ASP A 32 2.912 6.047 -11.388 1.00 18.01 C ATOM 512 CG ASP A 32 2.429 5.035 -12.417 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.236 4.271 -13.012 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.204 4.959 -12.700 1.00 25.17 O ATOM 0 H ASP A 32 3.429 4.176 -9.843 1.00 10.93 H new ATOM 0 HA ASP A 32 5.008 5.386 -11.705 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.232 6.058 -10.536 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.897 7.047 -11.821 1.00 18.01 H new ATOM 519 N LYS A 33 4.578 7.215 -9.031 1.00 14.22 N ATOM 520 CA LYS A 33 4.881 8.464 -8.405 1.00 14.00 C ATOM 521 C LYS A 33 6.263 8.567 -7.858 1.00 12.37 C ATOM 522 O LYS A 33 7.039 9.480 -8.135 1.00 12.17 O ATOM 523 CB LYS A 33 3.915 8.775 -7.250 1.00 18.62 C ATOM 524 CG LYS A 33 2.499 9.072 -7.748 1.00 24.00 C ATOM 525 CD LYS A 33 1.490 9.622 -6.737 1.00 27.61 C ATOM 526 CE LYS A 33 0.062 9.446 -7.256 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.805 10.302 -6.415 1.00 30.06 N ATOM 0 H LYS A 33 4.153 6.528 -8.409 1.00 14.22 H new ATOM 0 HA LYS A 33 4.777 9.183 -9.217 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.887 7.929 -6.563 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.288 9.631 -6.687 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.575 9.786 -8.568 1.00 24.00 H new ATOM 0 HG3 LYS A 33 2.090 8.151 -8.163 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.603 9.106 -5.784 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.689 10.678 -6.553 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.007 9.737 -8.304 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.247 8.402 -7.193 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.792 10.215 -6.732 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.733 10.000 -5.422 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.501 11.293 -6.499 1.00 30.06 H new ATOM 541 N GLU A 34 6.655 7.497 -7.144 1.00 10.11 N ATOM 542 CA GLU A 34 7.949 7.356 -6.550 1.00 10.07 C ATOM 543 C GLU A 34 9.025 6.957 -7.500 1.00 9.32 C ATOM 544 O GLU A 34 10.016 7.667 -7.660 1.00 11.61 O ATOM 545 CB GLU A 34 8.001 6.479 -5.288 1.00 14.77 C ATOM 546 CG GLU A 34 6.978 6.971 -4.262 1.00 18.75 C ATOM 547 CD GLU A 34 7.131 8.447 -3.924 1.00 22.28 C ATOM 548 OE1 GLU A 34 7.986 8.718 -3.039 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.342 9.331 -4.354 1.00 25.19 O ATOM 0 H GLU A 34 6.046 6.697 -6.973 1.00 10.11 H new ATOM 0 HA GLU A 34 8.154 8.377 -6.229 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.795 5.441 -5.549 1.00 14.77 H new ATOM 0 HB3 GLU A 34 9.002 6.507 -4.857 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.973 6.795 -4.647 1.00 18.75 H new ATOM 0 HG3 GLU A 34 7.077 6.384 -3.349 1.00 18.75 H new ATOM 556 N GLY A 35 8.803 5.828 -8.197 1.00 7.22 N ATOM 557 CA GLY A 35 9.747 5.221 -9.084 1.00 6.29 C ATOM 558 C GLY A 35 10.409 4.067 -8.414 1.00 6.93 C ATOM 559 O GLY A 35 11.625 3.902 -8.504 1.00 7.41 O ATOM 0 H GLY A 35 7.924 5.314 -8.139 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.243 4.885 -9.990 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.495 5.953 -9.388 1.00 6.29 H new ATOM 563 N ILE A 36 9.635 3.211 -7.724 1.00 5.86 N ATOM 564 CA ILE A 36 10.157 2.065 -7.046 1.00 6.07 C ATOM 565 C ILE A 36 9.374 0.916 -7.582 1.00 6.36 C ATOM 566 O ILE A 36 8.149 0.987 -7.663 1.00 6.18 O ATOM 567 CB ILE A 36 9.929 2.028 -5.564 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.195 3.389 -4.899 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.761 0.877 -4.974 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.404 3.437 -3.593 1.00 9.49 C ATOM 0 H ILE A 36 8.624 3.317 -7.635 1.00 5.86 H new ATOM 0 HA ILE A 36 11.235 2.059 -7.206 1.00 6.07 H new ATOM 0 HB ILE A 36 8.877 1.832 -5.355 1.00 7.47 H new ATOM 0 HG12 ILE A 36 11.260 3.517 -4.705 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.891 4.202 -5.559 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.609 0.833 -3.896 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.448 -0.066 -5.423 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.817 1.046 -5.185 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.575 4.394 -3.099 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.341 3.323 -3.807 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.731 2.628 -2.940 1.00 9.49 H new ATOM 582 N PRO A 37 9.992 -0.120 -8.068 1.00 8.65 N ATOM 583 CA PRO A 37 9.274 -1.249 -8.582 1.00 9.18 C ATOM 584 C PRO A 37 8.510 -2.049 -7.583 1.00 9.85 C ATOM 585 O PRO A 37 8.793 -1.850 -6.403 1.00 8.51 O ATOM 586 CB PRO A 37 10.373 -2.122 -9.184 1.00 11.42 C ATOM 587 CG PRO A 37 11.408 -1.124 -9.726 1.00 9.27 C ATOM 588 CD PRO A 37 11.341 -0.070 -8.610 1.00 8.33 C ATOM 0 HA PRO A 37 8.505 -0.901 -9.271 1.00 9.18 H new ATOM 0 HB2 PRO A 37 10.812 -2.780 -8.434 1.00 11.42 H new ATOM 0 HB3 PRO A 37 9.983 -2.759 -9.978 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.400 -1.563 -9.830 1.00 9.27 H new ATOM 0 HG3 PRO A 37 11.133 -0.722 -10.701 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.078 -0.280 -7.835 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.564 0.923 -9.001 1.00 8.33 H new ATOM 596 N PRO A 38 7.539 -2.846 -7.917 1.00 8.71 N ATOM 597 CA PRO A 38 6.642 -3.474 -6.991 1.00 9.08 C ATOM 598 C PRO A 38 7.342 -4.526 -6.199 1.00 9.28 C ATOM 599 O PRO A 38 6.883 -4.834 -5.101 1.00 6.50 O ATOM 600 CB PRO A 38 5.492 -4.040 -7.820 1.00 10.31 C ATOM 601 CG PRO A 38 5.424 -2.982 -8.933 1.00 10.81 C ATOM 602 CD PRO A 38 6.915 -2.754 -9.228 1.00 12.00 C ATOM 0 HA PRO A 38 6.261 -2.763 -6.258 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.706 -5.037 -8.205 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.564 -4.110 -7.253 1.00 10.31 H new ATOM 0 HG2 PRO A 38 4.883 -3.341 -9.808 1.00 10.81 H new ATOM 0 HG3 PRO A 38 4.927 -2.070 -8.603 1.00 10.81 H new ATOM 0 HD2 PRO A 38 7.308 -3.505 -9.913 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.089 -1.781 -9.688 1.00 12.00 H new ATOM 610 N ASP A 39 8.407 -5.146 -6.737 1.00 11.20 N ATOM 611 CA ASP A 39 9.109 -6.199 -6.072 1.00 14.96 C ATOM 612 C ASP A 39 9.996 -5.620 -5.025 1.00 13.99 C ATOM 613 O ASP A 39 10.085 -6.215 -3.952 1.00 13.75 O ATOM 614 CB ASP A 39 10.047 -7.013 -6.980 1.00 24.16 C ATOM 615 CG ASP A 39 9.237 -7.879 -7.934 1.00 31.06 C ATOM 616 OD1 ASP A 39 8.689 -8.892 -7.422 1.00 34.22 O ATOM 617 OD2 ASP A 39 9.207 -7.522 -9.142 1.00 35.55 O ATOM 0 H ASP A 39 8.788 -4.911 -7.653 1.00 11.20 H new ATOM 0 HA ASP A 39 8.326 -6.852 -5.686 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.691 -6.340 -7.546 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.699 -7.641 -6.372 1.00 24.16 H new ATOM 622 N GLN A 40 10.613 -4.454 -5.287 1.00 11.60 N ATOM 623 CA GLN A 40 11.478 -3.712 -4.423 1.00 10.76 C ATOM 624 C GLN A 40 10.872 -3.267 -3.137 1.00 8.01 C ATOM 625 O GLN A 40 11.461 -3.281 -2.057 1.00 8.96 O ATOM 626 CB GLN A 40 12.108 -2.501 -5.132 1.00 11.14 C ATOM 627 CG GLN A 40 13.292 -1.829 -4.434 1.00 14.85 C ATOM 628 CD GLN A 40 14.576 -2.644 -4.383 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.949 -3.198 -3.350 1.00 20.52 O ATOM 630 NE2 GLN A 40 15.452 -2.594 -5.423 1.00 18.16 N ATOM 0 H GLN A 40 10.494 -3.990 -6.187 1.00 11.60 H new ATOM 0 HA GLN A 40 12.249 -4.438 -4.165 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.434 -2.819 -6.122 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.330 -1.751 -5.278 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.501 -0.886 -4.940 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.998 -1.584 -3.413 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.181 -2.143 -6.297 1.00 18.16 H new ATOM 0 HE22 GLN A 40 16.380 -3.007 -5.329 1.00 18.16 H new ATOM 639 N GLN A 41 9.561 -2.974 -3.204 1.00 6.52 N ATOM 640 CA GLN A 41 8.785 -2.582 -2.069 1.00 3.87 C ATOM 641 C GLN A 41 7.963 -3.647 -1.428 1.00 4.79 C ATOM 642 O GLN A 41 7.441 -4.580 -2.035 1.00 6.34 O ATOM 643 CB GLN A 41 7.903 -1.403 -2.514 1.00 4.20 C ATOM 644 CG GLN A 41 6.788 -1.807 -3.481 1.00 3.20 C ATOM 645 CD GLN A 41 6.105 -0.544 -3.986 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.137 -0.071 -3.393 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.466 -0.092 -5.217 1.00 7.13 N ATOM 0 H GLN A 41 9.026 -3.011 -4.072 1.00 6.52 H new ATOM 0 HA GLN A 41 9.488 -2.314 -1.280 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.459 -0.939 -1.633 1.00 4.20 H new ATOM 0 HB3 GLN A 41 8.530 -0.649 -2.990 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.198 -2.375 -4.316 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.067 -2.453 -2.979 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.272 -0.497 -5.693 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.931 0.652 -5.664 1.00 7.13 H new ATOM 656 N ARG A 42 7.843 -3.555 -0.091 1.00 5.73 N ATOM 657 CA ARG A 42 6.919 -4.224 0.772 1.00 6.97 C ATOM 658 C ARG A 42 6.035 -3.189 1.378 1.00 7.15 C ATOM 659 O ARG A 42 6.382 -2.010 1.430 1.00 7.33 O ATOM 660 CB ARG A 42 7.555 -5.030 1.917 1.00 13.23 C ATOM 661 CG ARG A 42 8.562 -6.137 1.599 1.00 21.27 C ATOM 662 CD ARG A 42 9.188 -6.721 2.867 1.00 26.14 C ATOM 663 NE ARG A 42 10.103 -7.804 2.407 1.00 32.26 N ATOM 664 CZ ARG A 42 11.217 -8.265 3.046 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.595 -7.932 4.315 1.00 35.30 N ATOM 666 NH2 ARG A 42 12.138 -9.005 2.364 1.00 36.39 N ATOM 0 H ARG A 42 8.463 -2.944 0.440 1.00 5.73 H new ATOM 0 HA ARG A 42 6.391 -4.947 0.151 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.051 -4.320 2.579 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.743 -5.483 2.486 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.065 -6.931 1.041 1.00 21.27 H new ATOM 0 HG3 ARG A 42 9.348 -5.739 0.956 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.734 -5.957 3.421 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.422 -7.114 3.536 1.00 26.14 H new ATOM 0 HE ARG A 42 9.871 -8.248 1.519 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.025 -7.289 4.865 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.447 -8.327 4.713 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.994 -9.214 1.376 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.971 -9.349 2.842 1.00 36.39 H new ATOM 680 N LEU A 43 4.809 -3.589 1.761 1.00 4.65 N ATOM 681 CA LEU A 43 3.769 -2.707 2.192 1.00 3.51 C ATOM 682 C LEU A 43 3.150 -3.257 3.431 1.00 5.56 C ATOM 683 O LEU A 43 2.595 -4.355 3.452 1.00 4.19 O ATOM 684 CB LEU A 43 2.829 -2.443 1.004 1.00 3.74 C ATOM 685 CG LEU A 43 1.780 -1.375 1.358 1.00 6.32 C ATOM 686 CD1 LEU A 43 2.379 0.040 1.439 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.699 -1.304 0.267 1.00 9.55 C ATOM 0 H LEU A 43 4.531 -4.570 1.771 1.00 4.65 H new ATOM 0 HA LEU A 43 4.131 -1.722 2.485 1.00 3.51 H new ATOM 0 HB2 LEU A 43 3.410 -2.116 0.142 1.00 3.74 H new ATOM 0 HB3 LEU A 43 2.329 -3.369 0.719 1.00 3.74 H new ATOM 0 HG LEU A 43 1.378 -1.672 2.327 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.594 0.753 1.692 1.00 6.41 H new ATOM 0 HD12 LEU A 43 3.153 0.064 2.207 1.00 6.41 H new ATOM 0 HD13 LEU A 43 2.815 0.306 0.476 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -0.036 -0.544 0.532 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.160 -1.046 -0.686 1.00 9.55 H new ATOM 0 HD23 LEU A 43 0.205 -2.272 0.181 1.00 9.55 H new ATOM 699 N ILE A 44 3.254 -2.597 4.598 1.00 4.58 N ATOM 700 CA ILE A 44 2.875 -3.036 5.906 1.00 5.55 C ATOM 701 C ILE A 44 1.604 -2.413 6.369 1.00 5.46 C ATOM 702 O ILE A 44 1.455 -1.192 6.358 1.00 6.04 O ATOM 703 CB ILE A 44 3.921 -2.800 6.955 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.368 -3.069 6.511 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.678 -3.619 8.234 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.615 -4.467 5.946 1.00 13.90 C ATOM 0 H ILE A 44 3.646 -1.656 4.625 1.00 4.58 H new ATOM 0 HA ILE A 44 2.742 -4.112 5.789 1.00 5.55 H new ATOM 0 HB ILE A 44 3.815 -1.733 7.148 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.644 -2.333 5.756 1.00 10.31 H new ATOM 0 HG13 ILE A 44 6.029 -2.915 7.363 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.466 -3.407 8.957 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.712 -3.349 8.661 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.684 -4.682 7.992 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.662 -4.564 5.660 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.375 -5.213 6.703 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.984 -4.622 5.071 1.00 13.90 H new ATOM 718 N PHE A 45 0.638 -3.229 6.827 1.00 6.75 N ATOM 719 CA PHE A 45 -0.452 -2.824 7.660 1.00 4.70 C ATOM 720 C PHE A 45 -0.251 -3.397 9.021 1.00 6.34 C ATOM 721 O PHE A 45 0.059 -4.575 9.193 1.00 5.45 O ATOM 722 CB PHE A 45 -1.763 -3.302 7.014 1.00 5.51 C ATOM 723 CG PHE A 45 -2.953 -3.028 7.868 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.548 -1.788 7.900 1.00 5.87 C ATOM 725 CD2 PHE A 45 -3.440 -4.019 8.687 1.00 6.86 C ATOM 726 CE1 PHE A 45 -4.662 -1.563 8.673 1.00 6.64 C ATOM 727 CE2 PHE A 45 -4.541 -3.802 9.480 1.00 6.68 C ATOM 728 CZ PHE A 45 -5.186 -2.588 9.425 1.00 6.84 C ATOM 0 H PHE A 45 0.616 -4.224 6.604 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.501 -1.740 7.759 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.890 -2.809 6.050 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.699 -4.372 6.819 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.135 -0.982 7.311 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -2.950 -4.981 8.707 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -5.123 -0.587 8.690 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -4.897 -4.578 10.141 1.00 6.68 H new ATOM 0 HZ PHE A 45 -6.105 -2.440 9.973 1.00 6.84 H new ATOM 738 N ALA A 46 -0.319 -2.582 10.089 1.00 6.53 N ATOM 739 CA ALA A 46 0.076 -2.960 11.410 1.00 7.15 C ATOM 740 C ALA A 46 1.472 -3.479 11.455 1.00 9.00 C ATOM 741 O ALA A 46 2.440 -2.720 11.426 1.00 11.15 O ATOM 742 CB ALA A 46 -0.904 -3.893 12.141 1.00 8.99 C ATOM 0 H ALA A 46 -0.662 -1.623 10.030 1.00 6.53 H new ATOM 0 HA ALA A 46 0.044 -2.028 11.975 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.516 -4.122 13.134 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.873 -3.402 12.234 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.018 -4.817 11.574 1.00 8.99 H new ATOM 748 N GLY A 47 1.632 -4.799 11.657 1.00 9.35 N ATOM 749 CA GLY A 47 2.932 -5.395 11.640 1.00 11.68 C ATOM 750 C GLY A 47 2.924 -6.562 10.715 1.00 11.14 C ATOM 751 O GLY A 47 3.576 -7.560 11.019 1.00 13.93 O ATOM 0 H GLY A 47 0.867 -5.450 11.831 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.675 -4.666 11.318 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.212 -5.714 12.644 1.00 11.68 H new ATOM 755 N LYS A 48 2.111 -6.522 9.644 1.00 10.47 N ATOM 756 CA LYS A 48 1.856 -7.616 8.760 1.00 8.82 C ATOM 757 C LYS A 48 2.219 -7.267 7.358 1.00 7.68 C ATOM 758 O LYS A 48 1.778 -6.273 6.783 1.00 6.47 O ATOM 759 CB LYS A 48 0.397 -8.104 8.759 1.00 9.74 C ATOM 760 CG LYS A 48 0.028 -9.375 7.991 1.00 14.14 C ATOM 761 CD LYS A 48 -1.485 -9.572 7.879 1.00 16.32 C ATOM 762 CE LYS A 48 -1.961 -10.579 6.830 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.512 -11.963 7.095 1.00 23.92 N ATOM 0 H LYS A 48 1.603 -5.677 9.381 1.00 10.47 H new ATOM 0 HA LYS A 48 2.479 -8.424 9.143 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.102 -8.253 9.798 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.218 -7.295 8.366 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.461 -9.330 6.991 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.468 -10.238 8.490 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.862 -9.887 8.852 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.940 -8.607 7.658 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.050 -10.560 6.788 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -1.599 -10.269 5.850 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.869 -12.593 6.348 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.473 -11.994 7.107 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.879 -12.277 8.016 1.00 23.92 H new ATOM 777 N GLN A 49 3.097 -8.097 6.767 1.00 8.89 N ATOM 778 CA GLN A 49 3.532 -8.037 5.406 1.00 7.18 C ATOM 779 C GLN A 49 2.482 -8.571 4.494 1.00 8.23 C ATOM 780 O GLN A 49 2.259 -9.777 4.409 1.00 9.70 O ATOM 781 CB GLN A 49 4.836 -8.830 5.224 1.00 11.67 C ATOM 782 CG GLN A 49 5.995 -8.234 6.026 1.00 15.82 C ATOM 783 CD GLN A 49 7.134 -9.242 6.076 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.309 -10.104 5.216 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.098 -8.949 6.990 1.00 20.67 N ATOM 0 H GLN A 49 3.533 -8.864 7.278 1.00 8.89 H new ATOM 0 HA GLN A 49 3.715 -6.992 5.154 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.677 -9.863 5.533 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.101 -8.851 4.167 1.00 11.67 H new ATOM 0 HG2 GLN A 49 6.334 -7.306 5.565 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.666 -7.987 7.036 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.931 -8.230 7.694 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.987 -9.448 6.971 1.00 20.67 H new ATOM 794 N LEU A 50 1.811 -7.683 3.738 1.00 6.51 N ATOM 795 CA LEU A 50 0.702 -8.016 2.899 1.00 7.41 C ATOM 796 C LEU A 50 1.149 -8.548 1.580 1.00 8.27 C ATOM 797 O LEU A 50 2.121 -8.073 0.995 1.00 8.34 O ATOM 798 CB LEU A 50 -0.208 -6.791 2.712 1.00 7.13 C ATOM 799 CG LEU A 50 -0.652 -6.278 4.093 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.600 -5.092 3.847 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.443 -7.304 4.922 1.00 8.14 C ATOM 0 H LEU A 50 2.052 -6.692 3.711 1.00 6.51 H new ATOM 0 HA LEU A 50 0.135 -8.806 3.391 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.323 -6.007 2.173 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.078 -7.057 2.112 1.00 7.13 H new ATOM 0 HG LEU A 50 0.252 -6.032 4.650 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.941 -4.695 4.803 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.072 -4.312 3.298 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.459 -5.427 3.266 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.718 -6.863 5.880 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.346 -7.590 4.382 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.827 -8.187 5.092 1.00 8.14 H new ATOM 813 N GLU A 51 0.516 -9.624 1.078 1.00 9.43 N ATOM 814 CA GLU A 51 0.868 -10.270 -0.148 1.00 11.90 C ATOM 815 C GLU A 51 0.072 -9.731 -1.286 1.00 11.49 C ATOM 816 O GLU A 51 -0.957 -9.069 -1.164 1.00 9.88 O ATOM 817 CB GLU A 51 0.588 -11.774 0.015 1.00 16.56 C ATOM 818 CG GLU A 51 1.739 -12.327 0.858 1.00 26.06 C ATOM 819 CD GLU A 51 1.429 -13.727 1.368 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.362 -13.890 2.017 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.311 -14.607 1.175 1.00 32.13 O ATOM 0 H GLU A 51 -0.276 -10.063 1.548 1.00 9.43 H new ATOM 0 HA GLU A 51 1.921 -10.091 -0.366 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.371 -11.942 0.506 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.541 -12.270 -0.955 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.651 -12.349 0.262 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.926 -11.663 1.702 1.00 26.06 H new ATOM 828 N ASP A 52 0.570 -9.911 -2.523 1.00 12.71 N ATOM 829 CA ASP A 52 0.215 -9.079 -3.631 1.00 16.56 C ATOM 830 C ASP A 52 -1.176 -9.409 -4.052 1.00 15.83 C ATOM 831 O ASP A 52 -2.064 -8.576 -4.229 1.00 17.21 O ATOM 832 CB ASP A 52 1.196 -9.292 -4.796 1.00 21.05 C ATOM 833 CG ASP A 52 2.652 -8.894 -4.599 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.988 -7.698 -4.388 1.00 25.82 O ATOM 835 OD2 ASP A 52 3.552 -9.775 -4.649 1.00 28.37 O ATOM 0 H ASP A 52 1.233 -10.650 -2.758 1.00 12.71 H new ATOM 0 HA ASP A 52 0.268 -8.031 -3.336 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.174 -10.349 -5.059 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.815 -8.741 -5.656 1.00 21.05 H new ATOM 840 N GLY A 53 -1.531 -10.705 -4.096 1.00 15.00 N ATOM 841 CA GLY A 53 -2.713 -11.163 -4.757 1.00 11.77 C ATOM 842 C GLY A 53 -3.836 -11.440 -3.817 1.00 11.10 C ATOM 843 O GLY A 53 -4.587 -12.387 -4.045 1.00 11.25 O ATOM 0 H GLY A 53 -0.986 -11.450 -3.663 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -3.030 -10.414 -5.483 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.482 -12.070 -5.316 1.00 11.77 H new ATOM 847 N ARG A 54 -3.962 -10.519 -2.845 1.00 8.53 N ATOM 848 CA ARG A 54 -5.112 -10.396 -2.004 1.00 9.05 C ATOM 849 C ARG A 54 -5.664 -9.019 -2.142 1.00 8.96 C ATOM 850 O ARG A 54 -4.914 -8.137 -2.558 1.00 11.60 O ATOM 851 CB ARG A 54 -4.630 -10.673 -0.570 1.00 7.97 C ATOM 852 CG ARG A 54 -4.048 -12.086 -0.484 1.00 9.62 C ATOM 853 CD ARG A 54 -5.179 -13.108 -0.605 1.00 12.20 C ATOM 854 NE ARG A 54 -4.572 -14.467 -0.524 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.287 -15.622 -0.659 1.00 22.08 C ATOM 856 NH1 ARG A 54 -6.391 -15.718 -1.456 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.758 -16.819 -0.270 1.00 25.50 N ATOM 0 H ARG A 54 -3.235 -9.834 -2.637 1.00 8.53 H new ATOM 0 HA ARG A 54 -5.905 -11.095 -2.271 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.876 -9.941 -0.282 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.460 -10.568 0.129 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.317 -12.240 -1.278 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.523 -12.218 0.462 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.909 -12.967 0.192 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -5.709 -12.982 -1.549 1.00 12.20 H new ATOM 0 HE ARG A 54 -3.568 -14.538 -0.359 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.713 -14.905 -1.982 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -6.894 -16.603 -1.526 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.819 -16.857 0.126 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -5.302 -17.675 -0.376 1.00 25.50 H new ATOM 871 N THR A 55 -6.939 -8.774 -1.793 1.00 9.05 N ATOM 872 CA THR A 55 -7.564 -7.495 -1.663 1.00 9.03 C ATOM 873 C THR A 55 -7.414 -6.815 -0.345 1.00 8.15 C ATOM 874 O THR A 55 -7.044 -7.426 0.656 1.00 5.91 O ATOM 875 CB THR A 55 -9.009 -7.451 -2.065 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.805 -8.239 -1.191 1.00 11.95 O ATOM 877 CG2 THR A 55 -9.075 -7.990 -3.504 1.00 11.71 C ATOM 0 H THR A 55 -7.585 -9.535 -1.585 1.00 9.05 H new ATOM 0 HA THR A 55 -6.977 -6.930 -2.388 1.00 9.03 H new ATOM 0 HB THR A 55 -9.400 -6.435 -2.008 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.830 -9.163 -1.515 1.00 11.95 H new ATOM 0 HG21 THR A 55 -10.109 -7.980 -3.849 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.469 -7.361 -4.156 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.694 -9.011 -3.528 1.00 11.71 H new ATOM 885 N LEU A 56 -7.770 -5.520 -0.269 1.00 6.91 N ATOM 886 CA LEU A 56 -7.883 -4.790 0.956 1.00 8.29 C ATOM 887 C LEU A 56 -9.028 -5.276 1.775 1.00 8.05 C ATOM 888 O LEU A 56 -8.979 -5.292 3.004 1.00 10.17 O ATOM 889 CB LEU A 56 -8.054 -3.276 0.742 1.00 6.60 C ATOM 890 CG LEU A 56 -6.804 -2.571 0.190 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.167 -1.127 -0.196 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.562 -2.675 1.092 1.00 9.85 C ATOM 0 H LEU A 56 -7.988 -4.959 -1.093 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.943 -4.963 1.479 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.884 -3.109 0.056 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.328 -2.815 1.691 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.492 -3.105 -0.708 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.284 -0.622 -0.588 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.946 -1.139 -0.958 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.528 -0.595 0.684 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.728 -2.150 0.625 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.777 -2.225 2.061 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.299 -3.724 1.230 1.00 9.85 H new ATOM 904 N SER A 57 -10.037 -5.839 1.087 1.00 8.92 N ATOM 905 CA SER A 57 -11.184 -6.501 1.629 1.00 9.00 C ATOM 906 C SER A 57 -11.019 -7.881 2.165 1.00 9.44 C ATOM 907 O SER A 57 -11.450 -8.183 3.277 1.00 10.91 O ATOM 908 CB SER A 57 -12.377 -6.438 0.661 1.00 10.32 C ATOM 909 OG SER A 57 -13.622 -6.894 1.170 1.00 13.59 O ATOM 0 H SER A 57 -10.051 -5.830 0.067 1.00 8.92 H new ATOM 0 HA SER A 57 -11.373 -5.915 2.528 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.498 -5.405 0.333 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.132 -7.026 -0.223 1.00 10.32 H new ATOM 0 HG SER A 57 -14.310 -6.810 0.477 1.00 13.59 H new ATOM 915 N ASP A 58 -10.245 -8.762 1.506 1.00 9.11 N ATOM 916 CA ASP A 58 -9.653 -9.927 2.086 1.00 7.91 C ATOM 917 C ASP A 58 -9.034 -9.779 3.433 1.00 9.12 C ATOM 918 O ASP A 58 -9.220 -10.584 4.345 1.00 8.61 O ATOM 919 CB ASP A 58 -8.574 -10.637 1.250 1.00 8.41 C ATOM 920 CG ASP A 58 -9.091 -11.182 -0.074 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.728 -12.267 -0.008 1.00 11.70 O ATOM 922 OD2 ASP A 58 -8.902 -10.554 -1.150 1.00 10.05 O ATOM 0 H ASP A 58 -10.021 -8.655 0.517 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.568 -10.516 2.144 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.760 -9.939 1.053 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -8.156 -11.458 1.833 1.00 8.41 H new ATOM 927 N TYR A 59 -8.202 -8.737 3.611 1.00 7.97 N ATOM 928 CA TYR A 59 -7.668 -8.330 4.873 1.00 8.45 C ATOM 929 C TYR A 59 -8.496 -7.539 5.827 1.00 10.98 C ATOM 930 O TYR A 59 -8.195 -7.378 7.009 1.00 12.95 O ATOM 931 CB TYR A 59 -6.367 -7.544 4.635 1.00 7.94 C ATOM 932 CG TYR A 59 -5.377 -8.380 3.900 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.948 -9.574 4.431 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.830 -7.859 2.750 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.849 -10.189 3.879 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.800 -8.535 2.140 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.292 -9.665 2.736 1.00 6.76 C ATOM 938 OH TYR A 59 -2.176 -10.356 2.220 1.00 7.63 O ATOM 0 H TYR A 59 -7.887 -8.151 2.838 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.562 -9.290 5.377 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.581 -6.639 4.066 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.947 -7.228 5.590 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.465 -10.021 5.267 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.203 -6.935 2.334 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.429 -11.072 4.337 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.394 -8.182 1.203 1.00 5.39 H new ATOM 0 HH TYR A 59 -2.250 -11.308 2.441 1.00 7.63 H new ATOM 948 N ASN A 60 -9.682 -7.138 5.335 1.00 12.38 N ATOM 949 CA ASN A 60 -10.544 -6.199 5.983 1.00 13.94 C ATOM 950 C ASN A 60 -9.975 -4.877 6.372 1.00 14.16 C ATOM 951 O ASN A 60 -10.294 -4.353 7.438 1.00 14.26 O ATOM 952 CB ASN A 60 -11.184 -6.993 7.134 1.00 19.23 C ATOM 953 CG ASN A 60 -12.577 -6.472 7.455 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.355 -6.285 6.521 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.895 -6.335 8.770 1.00 24.09 N ATOM 0 H ASN A 60 -10.055 -7.482 4.450 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.277 -5.830 5.266 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.241 -8.048 6.864 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.554 -6.924 8.021 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.839 -6.058 9.040 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.190 -6.509 9.486 1.00 24.09 H new ATOM 962 N ILE A 61 -9.127 -4.268 5.525 1.00 11.08 N ATOM 963 CA ILE A 61 -8.470 -3.027 5.794 1.00 11.78 C ATOM 964 C ILE A 61 -9.478 -1.978 5.472 1.00 13.74 C ATOM 965 O ILE A 61 -9.925 -1.869 4.331 1.00 14.60 O ATOM 966 CB ILE A 61 -7.188 -2.923 5.022 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.153 -3.915 5.579 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.650 -1.488 4.891 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.758 -3.805 4.965 1.00 11.42 C ATOM 0 H ILE A 61 -8.889 -4.657 4.613 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.152 -2.920 6.831 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.407 -3.207 3.993 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.072 -3.766 6.656 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.523 -4.928 5.424 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.722 -1.498 4.320 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.385 -0.869 4.377 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.461 -1.078 5.883 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.100 -4.544 5.422 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.818 -3.986 3.892 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.360 -2.806 5.143 1.00 11.42 H new ATOM 981 N GLN A 62 -9.863 -1.163 6.471 1.00 13.97 N ATOM 982 CA GLN A 62 -10.882 -0.175 6.303 1.00 15.52 C ATOM 983 C GLN A 62 -10.401 1.082 5.662 1.00 13.94 C ATOM 984 O GLN A 62 -9.240 1.329 5.342 1.00 12.15 O ATOM 985 CB GLN A 62 -11.455 0.201 7.680 1.00 19.53 C ATOM 986 CG GLN A 62 -12.092 -1.021 8.345 1.00 26.38 C ATOM 987 CD GLN A 62 -12.851 -0.586 9.590 1.00 30.61 C ATOM 988 OE1 GLN A 62 -13.972 -0.086 9.500 1.00 33.23 O ATOM 989 NE2 GLN A 62 -12.179 -0.775 10.757 1.00 32.71 N ATOM 0 H GLN A 62 -9.461 -1.191 7.408 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.629 -0.621 5.647 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -10.662 0.597 8.315 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -12.198 0.991 7.568 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.769 -1.515 7.648 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.322 -1.746 8.610 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -11.251 -1.197 10.748 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -12.603 -0.494 11.641 1.00 32.71 H new ATOM 998 N LYS A 63 -11.295 2.086 5.620 1.00 11.73 N ATOM 999 CA LYS A 63 -11.031 3.405 5.135 1.00 11.97 C ATOM 1000 C LYS A 63 -10.213 4.211 6.084 1.00 10.41 C ATOM 1001 O LYS A 63 -10.290 3.939 7.281 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.280 4.167 4.660 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.272 4.437 5.793 1.00 16.98 C ATOM 1004 CD LYS A 63 -13.861 5.835 5.591 1.00 20.19 C ATOM 1005 CE LYS A 63 -14.924 6.270 6.602 1.00 23.42 C ATOM 1006 NZ LYS A 63 -14.322 6.472 7.939 1.00 25.97 N ATOM 0 H LYS A 63 -12.256 1.970 5.943 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.430 3.252 4.239 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.976 5.114 4.215 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.776 3.592 3.878 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.063 3.687 5.792 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.772 4.371 6.759 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.046 6.558 5.618 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.297 5.883 4.593 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.396 7.194 6.267 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.708 5.515 6.661 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -14.977 7.016 8.536 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -14.138 5.548 8.380 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -13.428 6.994 7.842 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.351 5.087 5.539 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.502 5.927 6.326 1.00 10.94 C ATOM 1022 C GLU A 64 -7.471 5.204 7.122 1.00 9.74 C ATOM 1023 O GLU A 64 -7.124 5.629 8.223 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.352 6.834 7.232 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.392 7.704 6.523 1.00 24.16 C ATOM 1026 CD GLU A 64 -11.276 8.530 7.446 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -10.767 9.437 8.157 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.523 8.361 7.393 1.00 32.61 O ATOM 0 H GLU A 64 -9.241 5.215 4.533 1.00 10.04 H new ATOM 0 HA GLU A 64 -7.937 6.528 5.613 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -9.867 6.207 7.960 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -8.682 7.487 7.791 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.875 8.378 5.840 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -11.028 7.061 5.915 1.00 24.16 H new ATOM 1035 N SER A 65 -7.035 4.052 6.582 1.00 6.85 N ATOM 1036 CA SER A 65 -6.057 3.186 7.165 1.00 6.90 C ATOM 1037 C SER A 65 -4.761 3.844 6.838 1.00 4.72 C ATOM 1038 O SER A 65 -4.575 4.436 5.776 1.00 3.91 O ATOM 1039 CB SER A 65 -6.215 1.744 6.654 1.00 7.28 C ATOM 1040 OG SER A 65 -7.240 1.056 7.356 1.00 10.56 O ATOM 0 H SER A 65 -7.385 3.706 5.689 1.00 6.85 H new ATOM 0 HA SER A 65 -6.151 3.063 8.244 1.00 6.90 H new ATOM 0 HB2 SER A 65 -6.447 1.757 5.589 1.00 7.28 H new ATOM 0 HB3 SER A 65 -5.272 1.210 6.769 1.00 7.28 H new ATOM 0 HG SER A 65 -8.054 1.038 6.811 1.00 10.56 H new ATOM 1046 N THR A 66 -3.767 3.592 7.709 1.00 4.48 N ATOM 1047 CA THR A 66 -2.385 3.951 7.629 1.00 3.80 C ATOM 1048 C THR A 66 -1.608 2.739 7.244 1.00 4.60 C ATOM 1049 O THR A 66 -1.822 1.687 7.844 1.00 5.33 O ATOM 1050 CB THR A 66 -1.741 4.443 8.891 1.00 2.85 C ATOM 1051 OG1 THR A 66 -2.366 5.650 9.300 1.00 2.15 O ATOM 1052 CG2 THR A 66 -0.253 4.785 8.708 1.00 3.40 C ATOM 0 H THR A 66 -3.959 3.076 8.568 1.00 4.48 H new ATOM 0 HA THR A 66 -2.368 4.774 6.915 1.00 3.80 H new ATOM 0 HB THR A 66 -1.847 3.638 9.618 1.00 2.85 H new ATOM 0 HG1 THR A 66 -1.947 5.972 10.126 1.00 2.15 H new ATOM 0 HG21 THR A 66 0.159 5.135 9.654 1.00 3.40 H new ATOM 0 HG22 THR A 66 0.288 3.896 8.384 1.00 3.40 H new ATOM 0 HG23 THR A 66 -0.149 5.567 7.956 1.00 3.40 H new ATOM 1060 N LEU A 67 -0.814 2.755 6.159 1.00 4.17 N ATOM 1061 CA LEU A 67 0.042 1.694 5.725 1.00 3.85 C ATOM 1062 C LEU A 67 1.447 2.188 5.779 1.00 3.80 C ATOM 1063 O LEU A 67 1.722 3.387 5.803 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.375 0.976 4.431 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.767 0.326 4.501 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.914 1.322 4.258 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.808 -0.798 3.453 1.00 8.12 C ATOM 0 H LEU A 67 -0.767 3.566 5.542 1.00 4.17 H new ATOM 0 HA LEU A 67 -0.059 0.858 6.417 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.360 1.691 3.609 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.363 0.208 4.199 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.918 -0.060 5.509 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.869 0.800 4.321 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.880 2.108 5.013 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.807 1.765 3.268 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.785 -1.282 3.476 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.634 -0.378 2.462 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.034 -1.532 3.677 1.00 8.12 H new ATOM 1079 N HIS A 68 2.452 1.295 5.773 1.00 2.94 N ATOM 1080 CA HIS A 68 3.839 1.645 5.797 1.00 4.17 C ATOM 1081 C HIS A 68 4.542 1.143 4.583 1.00 5.32 C ATOM 1082 O HIS A 68 4.539 -0.043 4.259 1.00 7.70 O ATOM 1083 CB HIS A 68 4.682 1.122 6.973 1.00 5.57 C ATOM 1084 CG HIS A 68 3.894 1.035 8.246 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.863 0.143 8.457 1.00 13.74 N ATOM 1086 CD2 HIS A 68 4.123 1.599 9.462 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.615 0.116 9.794 1.00 14.75 C ATOM 1088 NE2 HIS A 68 3.338 1.015 10.435 1.00 16.30 N ATOM 0 H HIS A 68 2.292 0.288 5.751 1.00 2.94 H new ATOM 0 HA HIS A 68 3.780 2.731 5.876 1.00 4.17 H new ATOM 0 HB2 HIS A 68 5.076 0.137 6.724 1.00 5.57 H new ATOM 0 HB3 HIS A 68 5.539 1.779 7.123 1.00 5.57 H new ATOM 0 HD1 HIS A 68 2.376 -0.397 7.742 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.826 2.398 9.642 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.916 -0.555 10.270 1.00 14.75 H new ATOM 1096 N LEU A 69 5.259 2.017 3.853 1.00 5.29 N ATOM 1097 CA LEU A 69 6.085 1.757 2.716 1.00 3.97 C ATOM 1098 C LEU A 69 7.489 1.378 3.039 1.00 5.07 C ATOM 1099 O LEU A 69 8.291 2.226 3.427 1.00 4.34 O ATOM 1100 CB LEU A 69 6.148 2.923 1.715 1.00 6.08 C ATOM 1101 CG LEU A 69 6.845 2.616 0.379 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.428 1.301 -0.301 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.615 3.718 -0.668 1.00 6.87 C ATOM 0 H LEU A 69 5.257 3.010 4.087 1.00 5.29 H new ATOM 0 HA LEU A 69 5.580 0.903 2.266 1.00 3.97 H new ATOM 0 HB2 LEU A 69 5.131 3.254 1.506 1.00 6.08 H new ATOM 0 HB3 LEU A 69 6.663 3.758 2.190 1.00 6.08 H new ATOM 0 HG LEU A 69 7.889 2.543 0.683 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.979 1.183 -1.234 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.650 0.463 0.360 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.359 1.323 -0.512 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.128 3.454 -1.593 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.547 3.819 -0.861 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.007 4.663 -0.293 1.00 6.87 H new ATOM 1115 N VAL A 70 7.861 0.098 2.855 1.00 4.29 N ATOM 1116 CA VAL A 70 9.117 -0.439 3.277 1.00 6.26 C ATOM 1117 C VAL A 70 9.808 -0.994 2.079 1.00 9.22 C ATOM 1118 O VAL A 70 9.293 -1.854 1.367 1.00 9.36 O ATOM 1119 CB VAL A 70 8.901 -1.550 4.262 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.201 -2.280 4.639 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.190 -0.987 5.503 1.00 8.54 C ATOM 0 H VAL A 70 7.264 -0.589 2.395 1.00 4.29 H new ATOM 0 HA VAL A 70 9.711 0.345 3.747 1.00 6.26 H new ATOM 0 HB VAL A 70 8.272 -2.305 3.789 1.00 8.69 H new ATOM 0 HG11 VAL A 70 9.979 -3.072 5.354 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.648 -2.713 3.744 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.899 -1.572 5.086 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.029 -1.788 6.225 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.807 -0.210 5.955 1.00 8.54 H new ATOM 0 HG23 VAL A 70 7.229 -0.563 5.211 1.00 8.54 H new ATOM 1131 N LEU A 71 11.012 -0.450 1.825 1.00 12.71 N ATOM 1132 CA LEU A 71 11.702 -0.910 0.659 1.00 16.06 C ATOM 1133 C LEU A 71 12.851 -1.774 1.050 1.00 18.09 C ATOM 1134 O LEU A 71 13.490 -1.566 2.081 1.00 19.26 O ATOM 1135 CB LEU A 71 12.260 0.272 -0.151 1.00 17.10 C ATOM 1136 CG LEU A 71 11.351 1.094 -1.080 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.438 2.060 -0.306 1.00 19.57 C ATOM 1138 CD2 LEU A 71 12.339 1.887 -1.953 1.00 17.51 C ATOM 0 H LEU A 71 11.484 0.261 2.384 1.00 12.71 H new ATOM 0 HA LEU A 71 10.987 -1.469 0.055 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.701 0.968 0.562 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.075 -0.116 -0.763 1.00 17.10 H new ATOM 0 HG LEU A 71 10.677 0.453 -1.649 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.817 2.616 -1.009 1.00 19.57 H new ATOM 0 HD12 LEU A 71 9.800 1.493 0.372 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.049 2.757 0.268 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.785 2.510 -2.655 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.959 2.520 -1.318 1.00 17.51 H new ATOM 0 HD23 LEU A 71 12.974 1.194 -2.505 1.00 17.51 H new