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 6 LYS NZ :NH3+ 139:sc= 0.936 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 154:sc= 0.838 USER MOD Single : A 1 MET CE :methyl -114:sc= -0.0501 (180deg=-0.344) USER MOD Single : A 1 MET N :NH3+ -105:sc= 1.28 (180deg=0.594) USER MOD Single : A 2 GLN : amide:sc= -0.688 K(o=-0.69,f=-2!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= 0.635 (180deg=-1.46!) USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.211 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00167 USER MOD Single : A 25 ASN : amide:sc= 0.735 K(o=0.74,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.65 (180deg=1.63) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.044) USER MOD Single : A 41 GLN : amide:sc= 0.689 K(o=0.69,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0263) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 55 THR OG1 : rot -57:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.0225 USER MOD Single : A 60 ASN : amide:sc= -0.0387 X(o=-0.039,f=-0.52) USER MOD Single : A 62 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -160:sc=-0.00311 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.719 K(o=0.72,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.782 -4.207 -3.950 1.00 0.78 N ATOM 2 CA MET A 1 12.494 -5.092 -2.799 1.00 0.70 C ATOM 3 C MET A 1 11.047 -5.424 -2.679 1.00 0.62 C ATOM 4 O MET A 1 10.199 -4.843 -3.354 1.00 0.68 O ATOM 5 CB MET A 1 13.068 -4.564 -1.473 1.00 0.75 C ATOM 6 CG MET A 1 12.306 -3.468 -0.725 1.00 0.79 C ATOM 7 SD MET A 1 12.302 -1.849 -1.554 1.00 1.10 S ATOM 8 CE MET A 1 11.250 -1.397 -0.144 1.00 0.84 C ATOM 0 H1 MET A 1 13.224 -4.760 -4.711 1.00 0.78 H new ATOM 0 H2 MET A 1 11.895 -3.789 -4.297 1.00 0.78 H new ATOM 0 H3 MET A 1 13.429 -3.449 -3.652 1.00 0.78 H new ATOM 0 HA MET A 1 13.018 -6.024 -3.013 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.173 -5.413 -0.797 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.072 -4.190 -1.674 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.275 -3.792 -0.584 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.742 -3.353 0.267 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.245 -1.169 -0.498 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.207 -2.229 0.559 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.666 -0.522 0.354 1.00 0.84 H new ATOM 20 N GLN A 2 10.681 -6.439 -1.874 1.00 0.59 N ATOM 21 CA GLN A 2 9.320 -6.827 -1.673 1.00 0.56 C ATOM 22 C GLN A 2 8.745 -6.119 -0.495 1.00 0.50 C ATOM 23 O GLN A 2 9.486 -5.843 0.448 1.00 0.60 O ATOM 24 CB GLN A 2 9.212 -8.343 -1.441 1.00 0.71 C ATOM 25 CG GLN A 2 10.049 -8.939 -0.307 1.00 1.15 C ATOM 26 CD GLN A 2 11.440 -9.282 -0.822 1.00 1.30 C ATOM 27 OE1 GLN A 2 12.451 -8.617 -0.607 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.567 -10.527 -1.355 1.00 1.72 N ATOM 0 H GLN A 2 11.349 -7.004 -1.350 1.00 0.59 H new ATOM 0 HA GLN A 2 8.764 -6.559 -2.571 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.166 -8.582 -1.250 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.490 -8.847 -2.367 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.121 -8.229 0.517 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.565 -9.834 0.084 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.737 -11.090 -1.539 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.493 -10.897 -1.571 1.00 1.72 H new ATOM 37 N ILE A 3 7.447 -5.772 -0.471 1.00 0.44 N ATOM 38 CA ILE A 3 6.811 -5.322 0.729 1.00 0.42 C ATOM 39 C ILE A 3 5.602 -6.186 0.842 1.00 0.40 C ATOM 40 O ILE A 3 5.148 -6.885 -0.062 1.00 0.50 O ATOM 41 CB ILE A 3 6.301 -3.911 0.731 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.577 -3.541 -0.575 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.487 -3.023 1.144 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.088 -2.094 -0.586 1.00 0.72 C ATOM 0 H ILE A 3 6.834 -5.803 -1.286 1.00 0.44 H new ATOM 0 HA ILE A 3 7.552 -5.370 1.527 1.00 0.42 H new ATOM 0 HB ILE A 3 5.502 -3.758 1.457 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.251 -3.699 -1.417 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.727 -4.209 -0.717 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.171 -1.980 1.162 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.832 -3.315 2.136 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.299 -3.144 0.427 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.585 -1.887 -1.530 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.391 -1.939 0.238 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.938 -1.422 -0.473 1.00 0.72 H new ATOM 56 N PHE A 4 4.908 -6.131 1.993 1.00 0.37 N ATOM 57 CA PHE A 4 3.759 -6.970 2.135 1.00 0.38 C ATOM 58 C PHE A 4 2.620 -6.068 2.466 1.00 0.39 C ATOM 59 O PHE A 4 2.748 -5.228 3.355 1.00 0.60 O ATOM 60 CB PHE A 4 3.832 -7.959 3.310 1.00 0.45 C ATOM 61 CG PHE A 4 5.011 -8.861 3.174 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.147 -9.716 2.106 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.905 -9.012 4.208 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.172 -10.626 2.003 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.858 -10.002 4.180 1.00 1.40 C ATOM 66 CZ PHE A 4 7.019 -10.799 3.071 1.00 0.85 C ATOM 0 H PHE A 4 5.127 -5.535 2.791 1.00 0.37 H new ATOM 0 HA PHE A 4 3.669 -7.542 1.211 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.896 -7.410 4.249 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.918 -8.552 3.349 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.416 -9.671 1.312 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.858 -8.343 5.054 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.310 -11.196 1.096 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.490 -10.156 5.042 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.797 -11.547 3.040 1.00 0.85 H new ATOM 76 N VAL A 5 1.409 -6.332 1.943 1.00 0.35 N ATOM 77 CA VAL A 5 0.297 -5.488 2.247 1.00 0.35 C ATOM 78 C VAL A 5 -0.828 -6.373 2.661 1.00 0.35 C ATOM 79 O VAL A 5 -1.219 -7.200 1.838 1.00 0.46 O ATOM 80 CB VAL A 5 -0.140 -4.651 1.081 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.278 -3.758 1.606 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.946 -3.707 0.540 1.00 0.56 C ATOM 0 H VAL A 5 1.202 -7.114 1.322 1.00 0.35 H new ATOM 0 HA VAL A 5 0.593 -4.795 3.034 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.413 -5.325 0.269 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.642 -3.121 0.800 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.093 -4.384 1.970 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.906 -3.136 2.421 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.548 -3.139 -0.301 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.256 -3.020 1.327 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.804 -4.292 0.209 1.00 0.56 H new ATOM 92 N LYS A 6 -1.309 -6.210 3.907 1.00 0.36 N ATOM 93 CA LYS A 6 -2.429 -6.957 4.389 1.00 0.39 C ATOM 94 C LYS A 6 -3.711 -6.206 4.285 1.00 0.46 C ATOM 95 O LYS A 6 -3.838 -5.040 4.656 1.00 0.53 O ATOM 96 CB LYS A 6 -2.276 -7.390 5.857 1.00 0.54 C ATOM 97 CG LYS A 6 -0.973 -8.109 6.214 1.00 1.22 C ATOM 98 CD LYS A 6 -1.106 -8.848 7.546 1.00 1.37 C ATOM 99 CE LYS A 6 0.238 -9.458 7.944 1.00 1.93 C ATOM 100 NZ LYS A 6 0.591 -10.683 7.191 1.00 2.09 N ATOM 0 H LYS A 6 -0.918 -5.556 4.585 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.455 -7.835 3.744 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.363 -6.505 6.487 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.110 -8.045 6.110 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.715 -8.816 5.425 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.159 -7.387 6.274 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.446 -8.160 8.320 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.859 -9.631 7.463 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.021 -8.714 7.795 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.218 -9.691 9.009 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.602 -10.662 6.948 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.393 -11.519 7.776 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.026 -10.729 6.319 1.00 2.09 H new ATOM 114 N THR A 7 -4.782 -6.837 3.772 1.00 0.58 N ATOM 115 CA THR A 7 -6.085 -6.248 3.800 1.00 0.78 C ATOM 116 C THR A 7 -6.803 -6.217 5.105 1.00 0.94 C ATOM 117 O THR A 7 -6.269 -6.217 6.214 1.00 0.99 O ATOM 118 CB THR A 7 -6.978 -6.765 2.710 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.307 -8.139 2.848 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.235 -6.702 1.365 1.00 0.92 C ATOM 0 H THR A 7 -4.745 -7.758 3.336 1.00 0.58 H new ATOM 0 HA THR A 7 -5.849 -5.200 3.615 1.00 0.78 H new ATOM 0 HB THR A 7 -7.875 -6.148 2.764 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.890 -8.411 2.109 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.883 -7.077 0.573 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.960 -5.670 1.150 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.335 -7.314 1.418 1.00 0.92 H new ATOM 128 N LEU A 8 -8.134 -6.024 5.121 1.00 1.17 N ATOM 129 CA LEU A 8 -9.134 -6.033 6.142 1.00 1.39 C ATOM 130 C LEU A 8 -9.417 -7.396 6.671 1.00 1.44 C ATOM 131 O LEU A 8 -9.148 -7.775 7.809 1.00 1.60 O ATOM 132 CB LEU A 8 -10.458 -5.450 5.617 1.00 1.66 C ATOM 133 CG LEU A 8 -10.531 -4.005 5.094 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.914 -3.733 4.479 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.227 -3.010 6.225 1.00 2.43 C ATOM 0 H LEU A 8 -8.588 -5.821 4.230 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.730 -5.422 6.949 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.796 -6.100 4.810 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.187 -5.536 6.422 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.779 -3.873 4.316 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.954 -2.707 4.112 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.086 -4.421 3.651 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.684 -3.877 5.237 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.283 -1.992 5.839 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.956 -3.135 7.025 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.226 -3.196 6.614 1.00 2.43 H new ATOM 147 N THR A 9 -9.938 -8.277 5.798 1.00 1.41 N ATOM 148 CA THR A 9 -10.364 -9.617 6.065 1.00 1.51 C ATOM 149 C THR A 9 -9.291 -10.600 6.382 1.00 1.37 C ATOM 150 O THR A 9 -9.344 -11.364 7.344 1.00 1.62 O ATOM 151 CB THR A 9 -11.220 -10.066 4.917 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.588 -10.095 3.646 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.564 -9.324 4.836 1.00 2.08 C ATOM 0 H THR A 9 -10.072 -8.028 4.818 1.00 1.41 H new ATOM 0 HA THR A 9 -10.929 -9.588 6.997 1.00 1.51 H new ATOM 0 HB THR A 9 -11.414 -11.109 5.168 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.228 -10.401 2.970 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.134 -9.696 3.985 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.129 -9.493 5.753 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.383 -8.256 4.713 1.00 2.08 H new ATOM 161 N GLY A 10 -8.230 -10.586 5.555 1.00 1.18 N ATOM 162 CA GLY A 10 -7.108 -11.444 5.783 1.00 1.22 C ATOM 163 C GLY A 10 -6.073 -11.671 4.735 1.00 0.99 C ATOM 164 O GLY A 10 -5.081 -12.368 4.944 1.00 1.31 O ATOM 0 H GLY A 10 -8.149 -9.986 4.734 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.590 -11.060 6.662 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.507 -12.422 6.051 1.00 1.22 H new ATOM 168 N LYS A 11 -6.176 -11.039 3.552 1.00 0.73 N ATOM 169 CA LYS A 11 -5.266 -11.360 2.498 1.00 0.60 C ATOM 170 C LYS A 11 -4.018 -10.554 2.603 1.00 0.51 C ATOM 171 O LYS A 11 -4.113 -9.342 2.795 1.00 0.63 O ATOM 172 CB LYS A 11 -5.920 -11.334 1.106 1.00 0.75 C ATOM 173 CG LYS A 11 -5.164 -12.004 -0.044 1.00 0.87 C ATOM 174 CD LYS A 11 -5.728 -11.755 -1.444 1.00 1.04 C ATOM 175 CE LYS A 11 -5.054 -12.507 -2.594 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.908 -12.388 -3.797 1.00 1.40 N ATOM 0 H LYS A 11 -6.869 -10.325 3.329 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.968 -12.401 2.627 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.899 -11.807 1.186 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.091 -10.292 0.834 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.130 -11.661 -0.023 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.147 -13.079 0.135 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.786 -12.018 -1.438 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.666 -10.687 -1.652 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.065 -12.093 -2.789 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.914 -13.555 -2.331 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.309 -12.243 -4.635 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.465 -13.259 -3.915 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.551 -11.578 -3.687 1.00 1.40 H new ATOM 190 N THR A 12 -2.878 -11.268 2.616 1.00 0.49 N ATOM 191 CA THR A 12 -1.576 -10.678 2.606 1.00 0.48 C ATOM 192 C THR A 12 -1.089 -10.835 1.205 1.00 0.52 C ATOM 193 O THR A 12 -0.923 -11.969 0.761 1.00 0.72 O ATOM 194 CB THR A 12 -0.476 -11.348 3.374 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.747 -11.387 4.768 1.00 0.77 O ATOM 196 CG2 THR A 12 0.804 -10.502 3.278 1.00 0.78 C ATOM 0 H THR A 12 -2.862 -12.288 2.634 1.00 0.49 H new ATOM 0 HA THR A 12 -1.729 -9.689 3.037 1.00 0.48 H new ATOM 0 HB THR A 12 -0.381 -12.349 2.954 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.275 -12.145 5.172 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.604 -10.988 3.836 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.098 -10.404 2.233 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.619 -9.513 3.697 1.00 0.78 H new ATOM 204 N ILE A 13 -0.845 -9.732 0.475 1.00 0.48 N ATOM 205 CA ILE A 13 -0.244 -9.750 -0.823 1.00 0.55 C ATOM 206 C ILE A 13 1.207 -9.419 -0.747 1.00 0.51 C ATOM 207 O ILE A 13 1.650 -8.556 0.009 1.00 0.56 O ATOM 208 CB ILE A 13 -1.040 -8.943 -1.805 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.050 -7.442 -1.473 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.429 -9.544 -2.083 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.763 -6.695 -2.600 1.00 1.55 C ATOM 0 H ILE A 13 -1.075 -8.793 0.800 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.274 -10.764 -1.221 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.517 -9.009 -2.759 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.558 -7.268 -0.524 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.030 -7.073 -1.361 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.959 -8.918 -2.800 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -2.316 -10.548 -2.492 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.997 -9.592 -1.154 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -1.777 -5.628 -2.377 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.235 -6.863 -3.539 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.786 -7.061 -2.689 1.00 1.55 H new ATOM 223 N THR A 14 2.019 -9.980 -1.660 1.00 0.55 N ATOM 224 CA THR A 14 3.429 -9.778 -1.800 1.00 0.54 C ATOM 225 C THR A 14 3.685 -8.933 -2.999 1.00 0.55 C ATOM 226 O THR A 14 3.441 -9.376 -4.120 1.00 0.72 O ATOM 227 CB THR A 14 4.336 -10.973 -1.775 1.00 0.67 C ATOM 228 OG1 THR A 14 4.122 -11.756 -0.610 1.00 1.08 O ATOM 229 CG2 THR A 14 5.850 -10.706 -1.766 1.00 1.03 C ATOM 0 H THR A 14 1.658 -10.629 -2.359 1.00 0.55 H new ATOM 0 HA THR A 14 3.710 -9.281 -0.872 1.00 0.54 H new ATOM 0 HB THR A 14 4.070 -11.458 -2.714 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.575 -11.339 0.152 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.387 -11.655 -1.748 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.127 -10.150 -2.662 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.112 -10.124 -0.882 1.00 1.03 H new ATOM 237 N LEU A 15 3.958 -7.642 -2.739 1.00 0.50 N ATOM 238 CA LEU A 15 4.244 -6.675 -3.752 1.00 0.55 C ATOM 239 C LEU A 15 5.700 -6.448 -3.973 1.00 0.52 C ATOM 240 O LEU A 15 6.507 -6.516 -3.047 1.00 0.58 O ATOM 241 CB LEU A 15 3.651 -5.284 -3.469 1.00 0.69 C ATOM 242 CG LEU A 15 2.141 -5.147 -3.726 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.621 -3.980 -2.870 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.633 -4.959 -5.166 1.00 1.55 C ATOM 0 H LEU A 15 3.980 -7.259 -1.794 1.00 0.50 H new ATOM 0 HA LEU A 15 3.782 -7.124 -4.631 1.00 0.55 H new ATOM 0 HB2 LEU A 15 3.850 -5.027 -2.429 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.175 -4.552 -4.084 1.00 0.69 H new ATOM 0 HG LEU A 15 1.752 -6.130 -3.462 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.550 -3.859 -3.032 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.807 -4.190 -1.817 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.137 -3.063 -3.154 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.546 -4.880 -5.161 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.061 -4.049 -5.587 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.932 -5.814 -5.772 1.00 1.55 H new ATOM 256 N GLU A 16 6.138 -6.287 -5.235 1.00 0.59 N ATOM 257 CA GLU A 16 7.491 -5.912 -5.511 1.00 0.63 C ATOM 258 C GLU A 16 7.577 -4.477 -5.903 1.00 0.65 C ATOM 259 O GLU A 16 6.787 -3.872 -6.626 1.00 0.81 O ATOM 260 CB GLU A 16 8.084 -6.745 -6.659 1.00 0.76 C ATOM 261 CG GLU A 16 8.185 -8.253 -6.426 1.00 1.41 C ATOM 262 CD GLU A 16 8.584 -9.108 -7.620 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.850 -8.509 -8.696 1.00 1.92 O ATOM 264 OE2 GLU A 16 8.609 -10.349 -7.401 1.00 1.95 O ATOM 0 H GLU A 16 5.557 -6.416 -6.063 1.00 0.59 H new ATOM 0 HA GLU A 16 8.054 -6.090 -4.595 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.479 -6.577 -7.550 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.083 -6.366 -6.875 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.908 -8.426 -5.628 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.220 -8.606 -6.063 1.00 1.41 H new ATOM 271 N VAL A 17 8.517 -3.768 -5.252 1.00 0.61 N ATOM 272 CA VAL A 17 8.621 -2.343 -5.317 1.00 0.63 C ATOM 273 C VAL A 17 10.042 -1.942 -5.511 1.00 0.65 C ATOM 274 O VAL A 17 10.938 -2.588 -4.969 1.00 0.76 O ATOM 275 CB VAL A 17 8.054 -1.539 -4.184 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.520 -1.652 -4.184 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.711 -1.986 -2.867 1.00 0.92 C ATOM 0 H VAL A 17 9.227 -4.200 -4.661 1.00 0.61 H new ATOM 0 HA VAL A 17 7.983 -2.101 -6.167 1.00 0.63 H new ATOM 0 HB VAL A 17 8.280 -0.479 -4.303 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.112 -1.067 -3.360 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.127 -1.273 -5.127 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.232 -2.697 -4.065 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.302 -1.404 -2.041 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.509 -3.044 -2.701 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.788 -1.826 -2.925 1.00 0.92 H new ATOM 287 N GLU A 18 10.298 -0.723 -6.017 1.00 0.68 N ATOM 288 CA GLU A 18 11.548 -0.039 -5.897 1.00 0.74 C ATOM 289 C GLU A 18 11.354 1.009 -4.856 1.00 0.71 C ATOM 290 O GLU A 18 10.253 1.548 -4.756 1.00 0.74 O ATOM 291 CB GLU A 18 11.889 0.589 -7.259 1.00 0.88 C ATOM 292 CG GLU A 18 13.354 0.912 -7.560 1.00 1.16 C ATOM 293 CD GLU A 18 14.325 -0.256 -7.629 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.048 -1.294 -8.288 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.379 -0.236 -6.937 1.00 2.33 O ATOM 0 H GLU A 18 9.600 -0.189 -6.535 1.00 0.68 H new ATOM 0 HA GLU A 18 12.366 -0.701 -5.614 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.531 -0.086 -8.036 1.00 0.88 H new ATOM 0 HB3 GLU A 18 11.318 1.513 -7.352 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.394 1.441 -8.512 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.711 1.603 -6.796 1.00 1.16 H new ATOM 302 N PRO A 19 12.272 1.418 -4.031 1.00 0.74 N ATOM 303 CA PRO A 19 12.002 2.380 -3.003 1.00 0.74 C ATOM 304 C PRO A 19 11.782 3.793 -3.422 1.00 0.70 C ATOM 305 O PRO A 19 11.538 4.615 -2.541 1.00 0.74 O ATOM 306 CB PRO A 19 13.020 2.104 -1.900 1.00 0.86 C ATOM 307 CG PRO A 19 14.182 1.415 -2.630 1.00 0.95 C ATOM 308 CD PRO A 19 13.475 0.646 -3.758 1.00 0.82 C ATOM 0 HA PRO A 19 10.994 2.243 -2.611 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.343 3.025 -1.416 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.602 1.465 -1.122 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.898 2.138 -3.021 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.733 0.746 -1.969 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.107 0.571 -4.643 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.232 -0.372 -3.452 1.00 0.82 H new ATOM 316 N SER A 20 11.863 4.106 -4.728 1.00 0.70 N ATOM 317 CA SER A 20 11.761 5.401 -5.327 1.00 0.74 C ATOM 318 C SER A 20 10.450 5.428 -6.035 1.00 0.71 C ATOM 319 O SER A 20 10.123 6.452 -6.633 1.00 0.80 O ATOM 320 CB SER A 20 12.850 5.687 -6.375 1.00 0.89 C ATOM 321 OG SER A 20 12.952 4.701 -7.393 1.00 1.45 O ATOM 0 H SER A 20 12.014 3.381 -5.430 1.00 0.70 H new ATOM 0 HA SER A 20 11.868 6.148 -4.541 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.647 6.652 -6.839 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.812 5.772 -5.869 1.00 0.89 H new ATOM 0 HG SER A 20 13.662 4.951 -8.021 1.00 1.45 H new ATOM 327 N ASP A 21 9.633 4.362 -5.970 1.00 0.70 N ATOM 328 CA ASP A 21 8.294 4.384 -6.470 1.00 0.73 C ATOM 329 C ASP A 21 7.347 5.139 -5.601 1.00 0.64 C ATOM 330 O ASP A 21 7.503 5.131 -4.381 1.00 0.66 O ATOM 331 CB ASP A 21 7.705 2.963 -6.510 1.00 0.87 C ATOM 332 CG ASP A 21 7.918 2.246 -7.836 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.515 2.812 -8.887 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.327 1.055 -7.892 1.00 1.69 O ATOM 0 H ASP A 21 9.907 3.468 -5.563 1.00 0.70 H new ATOM 0 HA ASP A 21 8.382 4.852 -7.451 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.153 2.371 -5.712 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.636 3.017 -6.305 1.00 0.87 H new ATOM 339 N THR A 22 6.451 5.893 -6.263 1.00 0.63 N ATOM 340 CA THR A 22 5.521 6.664 -5.499 1.00 0.58 C ATOM 341 C THR A 22 4.452 5.726 -5.050 1.00 0.53 C ATOM 342 O THR A 22 4.233 4.617 -5.533 1.00 0.58 O ATOM 343 CB THR A 22 4.907 7.816 -6.239 1.00 0.63 C ATOM 344 OG1 THR A 22 4.548 7.468 -7.567 1.00 0.70 O ATOM 345 CG2 THR A 22 5.914 8.972 -6.355 1.00 0.75 C ATOM 0 H THR A 22 6.370 5.969 -7.277 1.00 0.63 H new ATOM 0 HA THR A 22 6.063 7.121 -4.671 1.00 0.58 H new ATOM 0 HB THR A 22 4.020 8.101 -5.673 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.151 8.245 -8.013 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.456 9.801 -6.894 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.204 9.303 -5.358 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.797 8.632 -6.895 1.00 0.75 H new ATOM 353 N ILE A 23 3.638 6.222 -4.101 1.00 0.51 N ATOM 354 CA ILE A 23 2.518 5.480 -3.611 1.00 0.48 C ATOM 355 C ILE A 23 1.485 5.305 -4.671 1.00 0.48 C ATOM 356 O ILE A 23 0.928 4.208 -4.688 1.00 0.51 O ATOM 357 CB ILE A 23 1.944 6.069 -2.357 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.996 6.237 -1.247 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.753 5.336 -1.715 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.722 4.965 -0.811 1.00 0.73 C ATOM 0 H ILE A 23 3.756 7.140 -3.672 1.00 0.51 H new ATOM 0 HA ILE A 23 2.883 4.489 -3.340 1.00 0.48 H new ATOM 0 HB ILE A 23 1.577 7.023 -2.737 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.740 6.958 -1.586 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.508 6.670 -0.374 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.439 5.869 -0.818 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.075 5.298 -2.423 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.050 4.322 -1.449 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.438 5.206 -0.025 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.997 4.244 -0.433 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.249 4.537 -1.663 1.00 0.73 H new ATOM 372 N GLU A 24 1.318 6.290 -5.570 1.00 0.50 N ATOM 373 CA GLU A 24 0.492 6.182 -6.732 1.00 0.53 C ATOM 374 C GLU A 24 0.857 5.000 -7.562 1.00 0.50 C ATOM 375 O GLU A 24 0.016 4.236 -8.033 1.00 0.55 O ATOM 376 CB GLU A 24 0.635 7.490 -7.529 1.00 0.64 C ATOM 377 CG GLU A 24 -0.412 7.814 -8.596 1.00 0.95 C ATOM 378 CD GLU A 24 -0.057 9.016 -9.459 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.356 10.061 -8.888 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.246 8.947 -10.702 1.00 1.62 O ATOM 0 H GLU A 24 1.776 7.197 -5.485 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.546 6.032 -6.434 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.646 8.313 -6.815 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.610 7.477 -8.015 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.544 6.943 -9.238 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.369 7.998 -8.108 1.00 0.95 H new ATOM 387 N ASN A 25 2.165 4.811 -7.807 1.00 0.51 N ATOM 388 CA ASN A 25 2.590 3.636 -8.502 1.00 0.52 C ATOM 389 C ASN A 25 2.465 2.363 -7.736 1.00 0.47 C ATOM 390 O ASN A 25 2.093 1.420 -8.433 1.00 0.53 O ATOM 391 CB ASN A 25 4.099 3.635 -8.802 1.00 0.64 C ATOM 392 CG ASN A 25 4.555 4.750 -9.733 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.686 5.408 -10.302 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.884 5.035 -9.745 1.00 1.57 N ATOM 0 H ASN A 25 2.910 5.451 -7.533 1.00 0.51 H new ATOM 0 HA ASN A 25 1.939 3.671 -9.376 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.644 3.717 -7.862 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.369 2.676 -9.244 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.226 5.850 -10.254 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.539 4.434 -9.244 1.00 1.57 H new ATOM 401 N VAL A 26 2.800 2.271 -6.437 1.00 0.45 N ATOM 402 CA VAL A 26 2.427 1.096 -5.711 1.00 0.44 C ATOM 403 C VAL A 26 0.977 0.778 -5.829 1.00 0.40 C ATOM 404 O VAL A 26 0.624 -0.374 -6.076 1.00 0.44 O ATOM 405 CB VAL A 26 2.908 1.165 -4.292 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.567 -0.208 -3.687 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.430 1.345 -4.159 1.00 0.62 C ATOM 0 H VAL A 26 3.308 2.978 -5.906 1.00 0.45 H new ATOM 0 HA VAL A 26 2.934 0.251 -6.176 1.00 0.44 H new ATOM 0 HB VAL A 26 2.442 2.022 -3.805 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.889 -0.237 -2.646 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.491 -0.371 -3.739 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.080 -0.990 -4.247 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.701 1.386 -3.104 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.938 0.505 -4.632 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.731 2.272 -4.647 1.00 0.62 H new ATOM 417 N LYS A 27 0.052 1.748 -5.947 1.00 0.40 N ATOM 418 CA LYS A 27 -1.356 1.549 -6.097 1.00 0.41 C ATOM 419 C LYS A 27 -1.744 1.050 -7.447 1.00 0.38 C ATOM 420 O LYS A 27 -2.631 0.207 -7.572 1.00 0.42 O ATOM 421 CB LYS A 27 -2.157 2.835 -5.825 1.00 0.51 C ATOM 422 CG LYS A 27 -2.090 3.359 -4.390 1.00 0.76 C ATOM 423 CD LYS A 27 -2.631 4.786 -4.280 1.00 0.82 C ATOM 424 CE LYS A 27 -3.171 5.085 -2.881 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.347 5.976 -2.999 1.00 1.11 N ATOM 0 H LYS A 27 0.306 2.736 -5.937 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.599 0.788 -5.355 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.797 3.615 -6.496 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.201 2.653 -6.079 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.663 2.702 -3.736 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.057 3.334 -4.042 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.839 5.494 -4.522 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.424 4.931 -5.014 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.449 4.158 -2.379 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.400 5.558 -2.273 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.731 6.171 -2.052 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.062 6.870 -3.448 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.076 5.514 -3.580 1.00 1.11 H new ATOM 439 N ALA A 28 -0.986 1.440 -8.486 1.00 0.39 N ATOM 440 CA ALA A 28 -1.034 0.878 -9.801 1.00 0.39 C ATOM 441 C ALA A 28 -0.653 -0.563 -9.772 1.00 0.36 C ATOM 442 O ALA A 28 -1.210 -1.376 -10.509 1.00 0.42 O ATOM 443 CB ALA A 28 -0.060 1.604 -10.743 1.00 0.51 C ATOM 0 H ALA A 28 -0.300 2.191 -8.404 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.056 0.991 -10.162 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.115 1.159 -11.736 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.329 2.658 -10.803 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.956 1.510 -10.359 1.00 0.51 H new ATOM 449 N LYS A 29 0.259 -1.064 -8.920 1.00 0.39 N ATOM 450 CA LYS A 29 0.588 -2.453 -8.827 1.00 0.43 C ATOM 451 C LYS A 29 -0.468 -3.272 -8.169 1.00 0.44 C ATOM 452 O LYS A 29 -0.653 -4.398 -8.627 1.00 0.54 O ATOM 453 CB LYS A 29 1.895 -2.605 -8.029 1.00 0.54 C ATOM 454 CG LYS A 29 3.060 -1.822 -8.637 1.00 0.65 C ATOM 455 CD LYS A 29 4.271 -1.937 -7.708 1.00 1.08 C ATOM 456 CE LYS A 29 5.442 -1.031 -8.094 1.00 1.24 C ATOM 457 NZ LYS A 29 6.047 -1.354 -9.405 1.00 1.44 N ATOM 0 H LYS A 29 0.787 -0.480 -8.272 1.00 0.39 H new ATOM 0 HA LYS A 29 0.690 -2.821 -9.848 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.731 -2.266 -7.006 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.162 -3.661 -7.977 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.303 -2.214 -9.624 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.784 -0.776 -8.769 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.960 -1.697 -6.691 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.613 -2.972 -7.701 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.098 0.003 -8.109 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.210 -1.100 -7.324 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.832 -0.699 -9.596 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.406 -2.330 -9.390 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.329 -1.261 -10.151 1.00 1.44 H new ATOM 471 N ILE A 30 -1.204 -2.765 -7.163 1.00 0.41 N ATOM 472 CA ILE A 30 -2.340 -3.354 -6.526 1.00 0.44 C ATOM 473 C ILE A 30 -3.427 -3.370 -7.544 1.00 0.45 C ATOM 474 O ILE A 30 -4.175 -4.345 -7.515 1.00 0.56 O ATOM 475 CB ILE A 30 -2.743 -2.671 -5.252 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.573 -2.816 -4.265 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.991 -3.294 -4.604 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.712 -2.032 -2.960 1.00 1.32 C ATOM 0 H ILE A 30 -0.980 -1.856 -6.759 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.100 -4.364 -6.195 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.980 -1.633 -5.485 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.453 -3.872 -4.023 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.658 -2.498 -4.764 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.232 -2.756 -3.687 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.831 -3.227 -5.295 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.796 -4.341 -4.370 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.834 -2.204 -2.337 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.797 -0.968 -3.182 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.604 -2.364 -2.429 1.00 1.32 H new ATOM 490 N GLN A 31 -3.492 -2.413 -8.488 1.00 0.41 N ATOM 491 CA GLN A 31 -4.427 -2.419 -9.569 1.00 0.48 C ATOM 492 C GLN A 31 -4.184 -3.491 -10.575 1.00 0.52 C ATOM 493 O GLN A 31 -5.161 -4.082 -11.035 1.00 0.66 O ATOM 494 CB GLN A 31 -4.463 -0.999 -10.159 1.00 0.52 C ATOM 495 CG GLN A 31 -5.782 -0.662 -10.858 1.00 0.70 C ATOM 496 CD GLN A 31 -6.080 -1.331 -12.193 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.096 -1.993 -12.395 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.115 -1.191 -13.141 1.00 1.43 N ATOM 0 H GLN A 31 -2.870 -1.605 -8.498 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.416 -2.678 -9.192 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.290 -0.278 -9.360 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.645 -0.889 -10.871 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.594 -0.908 -10.174 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -5.811 0.417 -11.012 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.283 -0.635 -12.944 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.223 -1.642 -14.049 1.00 1.43 H new ATOM 507 N ASP A 32 -2.907 -3.762 -10.899 1.00 0.50 N ATOM 508 CA ASP A 32 -2.502 -4.817 -11.776 1.00 0.60 C ATOM 509 C ASP A 32 -2.745 -6.123 -11.102 1.00 0.65 C ATOM 510 O ASP A 32 -3.316 -6.989 -11.762 1.00 0.81 O ATOM 511 CB ASP A 32 -1.031 -4.564 -12.149 1.00 0.67 C ATOM 512 CG ASP A 32 -0.729 -5.244 -13.477 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.355 -4.838 -14.492 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.285 -5.991 -13.463 1.00 1.51 O ATOM 0 H ASP A 32 -2.122 -3.222 -10.534 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.076 -4.845 -12.702 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.841 -3.493 -12.223 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.374 -4.951 -11.370 1.00 0.67 H new ATOM 519 N LYS A 33 -2.355 -6.319 -9.830 1.00 0.62 N ATOM 520 CA LYS A 33 -2.429 -7.555 -9.112 1.00 0.73 C ATOM 521 C LYS A 33 -3.800 -7.915 -8.654 1.00 0.69 C ATOM 522 O LYS A 33 -4.242 -9.042 -8.879 1.00 0.83 O ATOM 523 CB LYS A 33 -1.436 -7.518 -7.939 1.00 0.85 C ATOM 524 CG LYS A 33 -1.397 -8.623 -6.882 1.00 1.31 C ATOM 525 CD LYS A 33 -0.158 -8.726 -5.989 1.00 1.71 C ATOM 526 CE LYS A 33 1.174 -8.980 -6.699 1.00 2.26 C ATOM 527 NZ LYS A 33 1.173 -10.187 -7.555 1.00 2.62 N ATOM 0 H LYS A 33 -1.962 -5.565 -9.266 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.156 -8.347 -9.809 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.438 -7.461 -8.373 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.608 -6.581 -7.410 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -2.264 -8.495 -6.234 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.519 -9.578 -7.394 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.070 -7.801 -5.419 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.321 -9.529 -5.270 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.420 -8.112 -7.311 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.961 -9.077 -5.951 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.105 -10.296 -8.003 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.968 -11.025 -6.974 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.445 -10.090 -8.291 1.00 2.62 H new ATOM 541 N GLU A 34 -4.541 -7.102 -7.880 1.00 0.63 N ATOM 542 CA GLU A 34 -5.713 -7.515 -7.170 1.00 0.67 C ATOM 543 C GLU A 34 -6.942 -7.044 -7.868 1.00 0.69 C ATOM 544 O GLU A 34 -7.971 -7.701 -7.723 1.00 0.95 O ATOM 545 CB GLU A 34 -5.737 -7.146 -5.676 1.00 0.73 C ATOM 546 CG GLU A 34 -4.900 -8.084 -4.803 1.00 0.83 C ATOM 547 CD GLU A 34 -5.452 -9.500 -4.736 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.440 -9.688 -3.977 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.010 -10.384 -5.518 1.00 1.37 O ATOM 0 H GLU A 34 -4.315 -6.117 -7.743 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.685 -8.605 -7.178 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.370 -6.127 -5.556 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.768 -7.158 -5.323 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.882 -8.117 -5.191 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.844 -7.676 -3.794 1.00 0.83 H new ATOM 556 N GLY A 35 -6.909 -5.964 -8.670 1.00 0.63 N ATOM 557 CA GLY A 35 -8.020 -5.420 -9.387 1.00 0.68 C ATOM 558 C GLY A 35 -8.744 -4.391 -8.588 1.00 0.76 C ATOM 559 O GLY A 35 -9.970 -4.412 -8.675 1.00 1.12 O ATOM 0 H GLY A 35 -6.050 -5.437 -8.827 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.669 -4.976 -10.319 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.708 -6.222 -9.655 1.00 0.68 H new ATOM 563 N ILE A 36 -7.999 -3.646 -7.752 1.00 0.70 N ATOM 564 CA ILE A 36 -8.658 -2.699 -6.907 1.00 0.76 C ATOM 565 C ILE A 36 -8.275 -1.354 -7.425 1.00 0.71 C ATOM 566 O ILE A 36 -7.059 -1.171 -7.435 1.00 0.73 O ATOM 567 CB ILE A 36 -8.169 -2.976 -5.517 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.797 -4.260 -4.949 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.575 -1.817 -4.589 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.069 -4.851 -3.743 1.00 1.16 C ATOM 0 H ILE A 36 -6.984 -3.693 -7.661 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.746 -2.756 -6.895 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.086 -3.088 -5.566 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.828 -4.048 -4.665 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.831 -5.011 -5.739 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.220 -2.018 -3.578 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.133 -0.889 -4.951 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.661 -1.722 -4.579 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.584 -5.753 -3.413 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.045 -5.100 -4.022 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.057 -4.123 -2.932 1.00 1.16 H new ATOM 582 N PRO A 37 -9.141 -0.462 -7.804 1.00 0.75 N ATOM 583 CA PRO A 37 -8.794 0.856 -8.250 1.00 0.79 C ATOM 584 C PRO A 37 -8.107 1.758 -7.284 1.00 0.75 C ATOM 585 O PRO A 37 -8.436 1.558 -6.116 1.00 0.75 O ATOM 586 CB PRO A 37 -10.110 1.511 -8.666 1.00 0.95 C ATOM 587 CG PRO A 37 -10.989 0.312 -9.057 1.00 1.02 C ATOM 588 CD PRO A 37 -10.545 -0.758 -8.047 1.00 0.85 C ATOM 0 HA PRO A 37 -8.055 0.723 -9.041 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.550 2.084 -7.850 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.972 2.198 -9.500 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.051 0.540 -8.969 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.815 -0.002 -10.086 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.128 -0.704 -7.128 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.676 -1.763 -8.448 1.00 0.85 H new ATOM 596 N PRO A 38 -7.192 2.630 -7.588 1.00 0.81 N ATOM 597 CA PRO A 38 -6.409 3.338 -6.616 1.00 0.85 C ATOM 598 C PRO A 38 -7.118 4.402 -5.851 1.00 0.89 C ATOM 599 O PRO A 38 -6.525 4.907 -4.899 1.00 0.99 O ATOM 600 CB PRO A 38 -5.204 3.817 -7.424 1.00 1.01 C ATOM 601 CG PRO A 38 -5.769 4.071 -8.831 1.00 1.25 C ATOM 602 CD PRO A 38 -6.755 2.897 -8.950 1.00 0.98 C ATOM 0 HA PRO A 38 -6.129 2.695 -5.782 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.774 4.724 -6.998 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.413 3.067 -7.442 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.264 5.039 -8.911 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.997 4.044 -9.600 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.598 3.154 -9.591 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.275 2.022 -9.389 1.00 0.98 H new ATOM 610 N ASP A 39 -8.405 4.646 -6.151 1.00 0.96 N ATOM 611 CA ASP A 39 -9.335 5.451 -5.422 1.00 1.11 C ATOM 612 C ASP A 39 -9.736 4.735 -4.178 1.00 1.00 C ATOM 613 O ASP A 39 -9.906 5.305 -3.102 1.00 1.14 O ATOM 614 CB ASP A 39 -10.547 5.743 -6.321 1.00 1.39 C ATOM 615 CG ASP A 39 -11.350 6.970 -5.913 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.911 8.139 -6.082 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.517 6.759 -5.488 1.00 2.25 O ATOM 0 H ASP A 39 -8.833 4.240 -6.983 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.882 6.400 -5.133 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.201 5.875 -7.346 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.206 4.874 -6.316 1.00 1.39 H new ATOM 622 N GLN A 40 -10.009 3.423 -4.299 1.00 0.87 N ATOM 623 CA GLN A 40 -10.550 2.588 -3.272 1.00 0.84 C ATOM 624 C GLN A 40 -9.584 2.432 -2.150 1.00 0.67 C ATOM 625 O GLN A 40 -10.018 2.488 -1.000 1.00 0.80 O ATOM 626 CB GLN A 40 -11.206 1.306 -3.814 1.00 0.95 C ATOM 627 CG GLN A 40 -12.445 1.652 -4.640 1.00 1.32 C ATOM 628 CD GLN A 40 -13.023 0.475 -5.415 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.457 0.505 -6.565 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.264 -0.603 -4.621 1.00 2.02 N ATOM 0 H GLN A 40 -9.841 2.915 -5.168 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.405 3.092 -2.821 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.493 0.756 -4.428 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.483 0.653 -2.986 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.213 2.048 -3.975 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.191 2.446 -5.342 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -12.903 -0.625 -3.667 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.806 -1.389 -4.979 1.00 2.02 H new ATOM 639 N GLN A 41 -8.358 1.970 -2.453 1.00 0.56 N ATOM 640 CA GLN A 41 -7.276 1.652 -1.575 1.00 0.51 C ATOM 641 C GLN A 41 -6.767 2.844 -0.838 1.00 0.49 C ATOM 642 O GLN A 41 -6.568 3.910 -1.419 1.00 0.65 O ATOM 643 CB GLN A 41 -6.044 1.390 -2.457 1.00 0.67 C ATOM 644 CG GLN A 41 -6.157 0.320 -3.545 1.00 0.69 C ATOM 645 CD GLN A 41 -4.896 0.242 -4.394 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.803 0.603 -3.962 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.026 -0.080 -5.709 1.00 0.61 N ATOM 0 H GLN A 41 -8.100 1.801 -3.425 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.637 0.855 -0.925 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.772 2.329 -2.939 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.217 1.116 -1.803 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.345 -0.649 -3.083 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.012 0.540 -4.184 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.930 -0.380 -6.074 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.219 -0.021 -6.331 1.00 0.61 H new ATOM 656 N ARG A 42 -6.647 2.679 0.491 1.00 0.47 N ATOM 657 CA ARG A 42 -6.076 3.609 1.414 1.00 0.55 C ATOM 658 C ARG A 42 -4.950 2.843 2.018 1.00 0.46 C ATOM 659 O ARG A 42 -5.179 1.735 2.503 1.00 0.52 O ATOM 660 CB ARG A 42 -6.950 3.970 2.626 1.00 0.73 C ATOM 661 CG ARG A 42 -6.347 4.596 3.886 1.00 1.04 C ATOM 662 CD ARG A 42 -5.488 5.841 3.659 1.00 1.28 C ATOM 663 NE ARG A 42 -6.421 6.963 3.356 1.00 1.69 N ATOM 664 CZ ARG A 42 -5.996 8.052 2.651 1.00 2.19 C ATOM 665 NH1 ARG A 42 -4.686 8.357 2.422 1.00 2.34 N ATOM 666 NH2 ARG A 42 -6.993 8.761 2.045 1.00 2.78 N ATOM 0 H ARG A 42 -6.974 1.831 0.954 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.866 4.530 0.871 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.720 4.654 2.269 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.455 3.055 2.937 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.159 4.856 4.565 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.739 3.844 4.389 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -4.890 6.064 4.543 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -4.792 5.685 2.835 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.387 6.917 3.679 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -3.950 7.753 2.788 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -4.442 9.189 1.885 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.963 8.461 2.141 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -6.768 9.591 1.496 1.00 2.78 H new ATOM 680 N LEU A 43 -3.689 3.263 1.813 1.00 0.46 N ATOM 681 CA LEU A 43 -2.631 2.512 2.414 1.00 0.42 C ATOM 682 C LEU A 43 -2.271 3.228 3.672 1.00 0.43 C ATOM 683 O LEU A 43 -2.366 4.453 3.736 1.00 0.55 O ATOM 684 CB LEU A 43 -1.429 2.328 1.472 1.00 0.55 C ATOM 685 CG LEU A 43 -1.660 1.336 0.321 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.569 1.183 -0.752 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.985 -0.081 0.825 1.00 1.12 C ATOM 0 H LEU A 43 -3.410 4.076 1.263 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.956 1.495 2.632 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.164 3.297 1.050 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.574 1.991 2.058 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.502 1.823 -0.171 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.886 0.447 -1.491 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.405 2.142 -1.243 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.358 0.852 -0.284 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.140 -0.744 -0.027 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.156 -0.452 1.428 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.890 -0.053 1.432 1.00 1.12 H new ATOM 699 N ILE A 44 -1.943 2.495 4.751 1.00 0.42 N ATOM 700 CA ILE A 44 -1.521 3.009 6.016 1.00 0.46 C ATOM 701 C ILE A 44 -0.394 2.085 6.325 1.00 0.42 C ATOM 702 O ILE A 44 -0.431 0.913 5.955 1.00 0.53 O ATOM 703 CB ILE A 44 -2.606 2.867 7.043 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.955 3.320 6.458 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.175 3.701 8.261 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.037 3.347 7.537 1.00 1.27 C ATOM 0 H ILE A 44 -1.975 1.476 4.737 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.263 4.068 6.009 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.747 1.830 7.347 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.850 4.312 6.018 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.253 2.645 5.656 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.935 3.629 9.039 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.227 3.323 8.644 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.056 4.743 7.965 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.981 3.670 7.098 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.156 2.349 7.958 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.747 4.041 8.326 1.00 1.27 H new ATOM 718 N PHE A 45 0.662 2.607 6.978 1.00 0.42 N ATOM 719 CA PHE A 45 1.740 1.792 7.443 1.00 0.46 C ATOM 720 C PHE A 45 1.932 2.108 8.886 1.00 0.68 C ATOM 721 O PHE A 45 2.451 3.140 9.308 1.00 1.50 O ATOM 722 CB PHE A 45 2.990 2.241 6.668 1.00 0.56 C ATOM 723 CG PHE A 45 4.293 1.608 7.018 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.368 0.259 7.273 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.478 2.304 6.985 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.574 -0.327 7.579 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.689 1.765 7.351 1.00 1.33 C ATOM 728 CZ PHE A 45 6.736 0.408 7.571 1.00 1.02 C ATOM 0 H PHE A 45 0.768 3.600 7.184 1.00 0.42 H new ATOM 0 HA PHE A 45 1.554 0.727 7.305 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.807 2.065 5.608 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.096 3.318 6.799 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.473 -0.345 7.233 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.457 3.332 6.653 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.609 -1.377 7.829 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.568 2.383 7.461 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.685 -0.080 7.737 1.00 1.02 H new ATOM 738 N ALA A 46 1.455 1.141 9.692 1.00 0.81 N ATOM 739 CA ALA A 46 1.534 1.251 11.115 1.00 0.96 C ATOM 740 C ALA A 46 0.612 2.270 11.690 1.00 0.97 C ATOM 741 O ALA A 46 -0.412 1.937 12.283 1.00 1.21 O ATOM 742 CB ALA A 46 2.955 1.322 11.698 1.00 1.20 C ATOM 0 H ALA A 46 1.015 0.284 9.357 1.00 0.81 H new ATOM 0 HA ALA A 46 1.164 0.284 11.456 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.899 1.404 12.783 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.504 0.419 11.430 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.471 2.193 11.295 1.00 1.20 H new ATOM 748 N GLY A 47 0.912 3.575 11.565 1.00 0.99 N ATOM 749 CA GLY A 47 0.096 4.681 11.961 1.00 1.10 C ATOM 750 C GLY A 47 -0.003 5.755 10.933 1.00 1.03 C ATOM 751 O GLY A 47 -0.973 6.498 11.068 1.00 1.30 O ATOM 0 H GLY A 47 1.795 3.879 11.155 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.906 4.317 12.190 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.499 5.107 12.880 1.00 1.10 H new ATOM 755 N LYS A 48 0.901 5.797 9.939 1.00 0.98 N ATOM 756 CA LYS A 48 0.932 6.868 8.991 1.00 1.05 C ATOM 757 C LYS A 48 0.177 6.383 7.802 1.00 0.84 C ATOM 758 O LYS A 48 0.321 5.265 7.308 1.00 0.81 O ATOM 759 CB LYS A 48 2.386 7.100 8.548 1.00 1.42 C ATOM 760 CG LYS A 48 3.232 7.419 9.783 1.00 1.61 C ATOM 761 CD LYS A 48 4.636 7.904 9.419 1.00 1.87 C ATOM 762 CE LYS A 48 5.649 8.033 10.560 1.00 2.22 C ATOM 763 NZ LYS A 48 5.976 6.692 11.093 1.00 2.55 N ATOM 0 H LYS A 48 1.615 5.084 9.791 1.00 0.98 H new ATOM 0 HA LYS A 48 0.518 7.784 9.412 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.773 6.214 8.044 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.436 7.921 7.833 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.729 8.183 10.377 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.309 6.529 10.407 1.00 1.61 H new ATOM 0 HD2 LYS A 48 5.048 7.220 8.677 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.543 8.878 8.938 1.00 1.87 H new ATOM 0 HE2 LYS A 48 6.554 8.523 10.201 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.240 8.660 11.353 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.749 6.772 11.784 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.137 6.289 11.557 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.272 6.071 10.313 1.00 2.55 H new ATOM 777 N GLN A 49 -0.765 7.193 7.287 1.00 0.84 N ATOM 778 CA GLN A 49 -1.550 7.092 6.096 1.00 0.80 C ATOM 779 C GLN A 49 -0.683 7.629 5.009 1.00 0.72 C ATOM 780 O GLN A 49 -0.191 8.756 5.004 1.00 0.83 O ATOM 781 CB GLN A 49 -2.909 7.806 6.200 1.00 1.03 C ATOM 782 CG GLN A 49 -3.658 7.335 7.447 1.00 1.67 C ATOM 783 CD GLN A 49 -5.102 7.808 7.536 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.870 7.639 6.589 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.613 8.508 8.584 1.00 2.48 N ATOM 0 H GLN A 49 -1.008 8.048 7.788 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.836 6.059 5.898 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -2.759 8.885 6.243 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.505 7.602 5.310 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.644 6.245 7.473 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.121 7.682 8.330 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.037 8.689 9.406 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.572 8.852 8.548 1.00 2.48 H new ATOM 794 N LEU A 50 -0.657 6.834 3.924 1.00 0.69 N ATOM 795 CA LEU A 50 0.287 7.114 2.886 1.00 0.66 C ATOM 796 C LEU A 50 -0.368 8.118 2.003 1.00 0.72 C ATOM 797 O LEU A 50 -1.582 7.983 1.854 1.00 0.90 O ATOM 798 CB LEU A 50 0.875 5.814 2.312 1.00 0.65 C ATOM 799 CG LEU A 50 1.515 4.823 3.300 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.106 3.645 2.507 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.660 5.414 4.140 1.00 0.74 C ATOM 0 H LEU A 50 -1.263 6.029 3.767 1.00 0.69 H new ATOM 0 HA LEU A 50 1.217 7.589 3.198 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.079 5.292 1.781 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.628 6.084 1.572 1.00 0.65 H new ATOM 0 HG LEU A 50 0.718 4.530 3.984 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.563 2.935 3.196 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.313 3.149 1.948 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.862 4.015 1.814 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.053 4.648 4.809 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.454 5.762 3.479 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.285 6.252 4.728 1.00 0.74 H new ATOM 813 N GLU A 51 0.260 9.106 1.338 1.00 0.70 N ATOM 814 CA GLU A 51 -0.340 9.934 0.339 1.00 0.76 C ATOM 815 C GLU A 51 0.291 9.493 -0.937 1.00 0.77 C ATOM 816 O GLU A 51 1.260 8.739 -0.978 1.00 1.23 O ATOM 817 CB GLU A 51 0.000 11.422 0.530 1.00 0.88 C ATOM 818 CG GLU A 51 -0.404 11.925 1.917 1.00 1.35 C ATOM 819 CD GLU A 51 -0.121 13.416 2.030 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.055 13.870 2.015 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.131 14.167 2.095 1.00 1.89 O ATOM 0 H GLU A 51 1.239 9.338 1.508 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.425 9.840 0.373 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.070 11.571 0.387 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.509 12.012 -0.233 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.463 11.733 2.089 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.147 11.382 2.685 1.00 1.35 H new ATOM 828 N ASP A 52 -0.274 9.870 -2.098 1.00 0.66 N ATOM 829 CA ASP A 52 -0.038 9.510 -3.462 1.00 0.65 C ATOM 830 C ASP A 52 1.116 10.041 -4.240 1.00 0.60 C ATOM 831 O ASP A 52 1.854 9.187 -4.729 1.00 0.62 O ATOM 832 CB ASP A 52 -1.344 9.807 -4.219 1.00 0.81 C ATOM 833 CG ASP A 52 -2.585 9.293 -3.503 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.925 8.107 -3.759 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.329 10.105 -2.891 1.00 1.44 O ATOM 0 H ASP A 52 -1.033 10.551 -2.062 1.00 0.66 H new ATOM 0 HA ASP A 52 0.273 8.468 -3.383 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.436 10.884 -4.363 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.292 9.356 -5.210 1.00 0.81 H new ATOM 840 N GLY A 53 1.421 11.349 -4.163 1.00 0.68 N ATOM 841 CA GLY A 53 2.603 11.976 -4.666 1.00 0.73 C ATOM 842 C GLY A 53 3.704 12.056 -3.666 1.00 0.72 C ATOM 843 O GLY A 53 4.493 12.997 -3.600 1.00 0.97 O ATOM 0 H GLY A 53 0.793 12.017 -3.715 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.954 11.425 -5.538 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.355 12.982 -5.004 1.00 0.73 H new ATOM 847 N ARG A 54 3.864 10.925 -2.957 1.00 0.64 N ATOM 848 CA ARG A 54 4.933 10.603 -2.063 1.00 0.63 C ATOM 849 C ARG A 54 5.627 9.351 -2.480 1.00 0.59 C ATOM 850 O ARG A 54 4.940 8.512 -3.061 1.00 0.62 O ATOM 851 CB ARG A 54 4.524 10.392 -0.596 1.00 0.69 C ATOM 852 CG ARG A 54 3.632 11.515 -0.064 1.00 0.82 C ATOM 853 CD ARG A 54 4.318 12.877 0.038 1.00 1.18 C ATOM 854 NE ARG A 54 3.504 13.872 0.793 1.00 1.50 N ATOM 855 CZ ARG A 54 3.871 15.162 1.043 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.099 15.628 0.668 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.036 16.164 1.444 1.00 2.49 N ATOM 0 H ARG A 54 3.182 10.168 -3.016 1.00 0.64 H new ATOM 0 HA ARG A 54 5.574 11.483 -2.121 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.999 9.441 -0.503 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.420 10.323 0.020 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.762 11.609 -0.714 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.264 11.233 0.923 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.285 12.757 0.527 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.513 13.258 -0.965 1.00 1.18 H new ATOM 0 HE ARG A 54 2.600 13.564 1.151 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.756 15.009 0.194 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.359 16.595 0.862 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.043 15.976 1.581 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.405 17.101 1.607 1.00 2.49 H new ATOM 871 N THR A 55 6.916 9.251 -2.111 1.00 0.63 N ATOM 872 CA THR A 55 7.709 8.096 -2.395 1.00 0.61 C ATOM 873 C THR A 55 7.748 7.144 -1.250 1.00 0.59 C ATOM 874 O THR A 55 7.386 7.472 -0.120 1.00 0.64 O ATOM 875 CB THR A 55 9.148 8.310 -2.761 1.00 0.68 C ATOM 876 OG1 THR A 55 9.896 8.993 -1.765 1.00 0.75 O ATOM 877 CG2 THR A 55 9.159 9.129 -4.062 1.00 0.76 C ATOM 0 H THR A 55 7.416 9.984 -1.607 1.00 0.63 H new ATOM 0 HA THR A 55 7.186 7.718 -3.273 1.00 0.61 H new ATOM 0 HB THR A 55 9.624 7.336 -2.872 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.479 9.860 -1.580 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.189 9.311 -4.369 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.639 8.576 -4.844 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.657 10.082 -3.896 1.00 0.76 H new ATOM 885 N LEU A 56 8.247 5.903 -1.389 1.00 0.58 N ATOM 886 CA LEU A 56 8.418 4.886 -0.400 1.00 0.59 C ATOM 887 C LEU A 56 9.503 5.276 0.544 1.00 0.64 C ATOM 888 O LEU A 56 9.501 5.007 1.744 1.00 0.70 O ATOM 889 CB LEU A 56 8.697 3.469 -0.930 1.00 0.60 C ATOM 890 CG LEU A 56 7.480 2.813 -1.604 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.019 1.659 -2.465 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.402 2.331 -0.617 1.00 1.03 C ATOM 0 H LEU A 56 8.566 5.579 -2.302 1.00 0.58 H new ATOM 0 HA LEU A 56 7.449 4.822 0.095 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.518 3.513 -1.645 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.027 2.840 -0.104 1.00 0.60 H new ATOM 0 HG LEU A 56 6.964 3.557 -2.211 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.189 1.160 -2.966 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.709 2.053 -3.211 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.542 0.944 -1.829 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.578 1.881 -1.170 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.832 1.592 0.059 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.032 3.179 -0.040 1.00 1.03 H new ATOM 904 N SER A 57 10.539 5.993 0.071 1.00 0.68 N ATOM 905 CA SER A 57 11.682 6.509 0.759 1.00 0.75 C ATOM 906 C SER A 57 11.324 7.605 1.703 1.00 0.76 C ATOM 907 O SER A 57 12.021 7.833 2.691 1.00 0.84 O ATOM 908 CB SER A 57 12.721 7.041 -0.241 1.00 0.84 C ATOM 909 OG SER A 57 13.966 7.179 0.428 1.00 1.19 O ATOM 0 H SER A 57 10.575 6.239 -0.918 1.00 0.68 H new ATOM 0 HA SER A 57 12.100 5.681 1.331 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.819 6.357 -1.084 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.400 8.001 -0.645 1.00 0.84 H new ATOM 0 HG SER A 57 14.639 7.516 -0.199 1.00 1.19 H new ATOM 915 N ASP A 58 10.359 8.487 1.388 1.00 0.75 N ATOM 916 CA ASP A 58 9.938 9.504 2.301 1.00 0.78 C ATOM 917 C ASP A 58 9.593 8.958 3.643 1.00 0.77 C ATOM 918 O ASP A 58 10.000 9.435 4.702 1.00 0.86 O ATOM 919 CB ASP A 58 8.680 10.204 1.758 1.00 0.83 C ATOM 920 CG ASP A 58 9.023 11.053 0.542 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.810 12.001 0.804 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.526 10.843 -0.597 1.00 1.86 O ATOM 0 H ASP A 58 9.867 8.495 0.494 1.00 0.75 H new ATOM 0 HA ASP A 58 10.775 10.195 2.401 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.930 9.460 1.489 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.242 10.831 2.535 1.00 0.83 H new ATOM 927 N TYR A 59 8.767 7.901 3.756 1.00 0.72 N ATOM 928 CA TYR A 59 8.278 7.213 4.910 1.00 0.73 C ATOM 929 C TYR A 59 9.217 6.134 5.329 1.00 0.76 C ATOM 930 O TYR A 59 9.015 5.514 6.372 1.00 0.89 O ATOM 931 CB TYR A 59 6.848 6.692 4.693 1.00 0.73 C ATOM 932 CG TYR A 59 5.821 7.679 4.252 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.177 8.369 5.251 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.492 7.892 2.935 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.053 9.116 4.984 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.415 8.692 2.633 1.00 0.70 C ATOM 937 CZ TYR A 59 3.725 9.292 3.661 1.00 0.74 C ATOM 938 OH TYR A 59 2.557 9.995 3.296 1.00 0.86 O ATOM 0 H TYR A 59 8.392 7.472 2.910 1.00 0.72 H new ATOM 0 HA TYR A 59 8.227 7.928 5.731 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.889 5.893 3.952 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.507 6.244 5.626 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.559 8.324 6.260 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.072 7.436 2.146 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.457 9.544 5.776 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.116 8.847 1.607 1.00 0.70 H new ATOM 0 HH TYR A 59 2.793 10.912 3.044 1.00 0.86 H new ATOM 948 N ASN A 60 10.279 5.909 4.535 1.00 0.74 N ATOM 949 CA ASN A 60 11.396 5.023 4.641 1.00 0.79 C ATOM 950 C ASN A 60 11.106 3.575 4.841 1.00 0.75 C ATOM 951 O ASN A 60 11.543 2.887 5.761 1.00 0.86 O ATOM 952 CB ASN A 60 12.362 5.573 5.704 1.00 0.95 C ATOM 953 CG ASN A 60 13.722 4.916 5.522 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.228 4.702 4.421 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.375 4.481 6.632 1.00 1.83 N ATOM 0 H ASN A 60 10.359 6.446 3.672 1.00 0.74 H new ATOM 0 HA ASN A 60 11.854 5.016 3.652 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.451 6.655 5.609 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.977 5.371 6.704 1.00 0.95 H new ATOM 0 HD21 ASN A 60 15.264 3.989 6.541 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.976 4.646 7.556 1.00 1.83 H new ATOM 962 N ILE A 61 10.270 3.043 3.931 1.00 0.67 N ATOM 963 CA ILE A 61 9.751 1.710 3.927 1.00 0.65 C ATOM 964 C ILE A 61 10.775 0.699 3.540 1.00 0.66 C ATOM 965 O ILE A 61 11.521 0.743 2.563 1.00 0.75 O ATOM 966 CB ILE A 61 8.538 1.667 3.046 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.324 2.229 3.804 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.069 0.272 2.601 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.337 3.001 2.930 1.00 0.82 C ATOM 0 H ILE A 61 9.932 3.588 3.138 1.00 0.67 H new ATOM 0 HA ILE A 61 9.461 1.440 4.942 1.00 0.65 H new ATOM 0 HB ILE A 61 8.854 2.235 2.171 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.797 1.404 4.284 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.679 2.886 4.598 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.186 0.369 1.969 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.865 -0.217 2.039 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.823 -0.326 3.478 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.512 3.362 3.544 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.845 3.849 2.470 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.949 2.344 2.152 1.00 0.82 H new ATOM 981 N GLN A 62 10.986 -0.341 4.367 1.00 0.67 N ATOM 982 CA GLN A 62 11.927 -1.415 4.302 1.00 0.70 C ATOM 983 C GLN A 62 11.412 -2.637 3.625 1.00 0.62 C ATOM 984 O GLN A 62 10.261 -2.802 3.225 1.00 0.64 O ATOM 985 CB GLN A 62 12.376 -1.907 5.689 1.00 0.85 C ATOM 986 CG GLN A 62 12.953 -0.894 6.680 1.00 1.27 C ATOM 987 CD GLN A 62 14.045 -0.086 5.994 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.807 -0.480 5.112 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.085 1.184 6.478 1.00 2.16 N ATOM 0 H GLN A 62 10.408 -0.436 5.202 1.00 0.67 H new ATOM 0 HA GLN A 62 12.745 -0.968 3.737 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.518 -2.382 6.165 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.126 -2.683 5.537 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.166 -0.231 7.040 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.359 -1.410 7.550 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.435 1.472 7.210 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.765 1.849 6.109 1.00 2.16 H new ATOM 998 N LYS A 63 12.316 -3.603 3.381 1.00 0.64 N ATOM 999 CA LYS A 63 12.038 -4.899 2.842 1.00 0.62 C ATOM 1000 C LYS A 63 11.179 -5.650 3.800 1.00 0.59 C ATOM 1001 O LYS A 63 11.417 -5.582 5.004 1.00 0.66 O ATOM 1002 CB LYS A 63 13.294 -5.658 2.379 1.00 0.74 C ATOM 1003 CG LYS A 63 14.045 -6.313 3.539 1.00 0.89 C ATOM 1004 CD LYS A 63 15.203 -7.167 3.015 1.00 1.11 C ATOM 1005 CE LYS A 63 14.813 -8.343 2.117 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.968 -9.262 2.018 1.00 2.12 N ATOM 0 H LYS A 63 13.309 -3.469 3.574 1.00 0.64 H new ATOM 0 HA LYS A 63 11.478 -4.781 1.914 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.007 -6.424 1.658 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.961 -4.968 1.862 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.427 -5.545 4.212 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.361 -6.933 4.118 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.883 -6.521 2.460 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.758 -7.555 3.869 1.00 1.11 H new ATOM 0 HE2 LYS A 63 13.949 -8.864 2.529 1.00 1.47 H new ATOM 0 HE3 LYS A 63 14.528 -7.986 1.128 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.719 -10.068 1.410 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.779 -8.757 1.608 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.219 -9.608 2.966 1.00 2.12 H new ATOM 1020 N GLU A 64 10.230 -6.456 3.291 1.00 0.57 N ATOM 1021 CA GLU A 64 9.290 -7.236 4.035 1.00 0.58 C ATOM 1022 C GLU A 64 8.413 -6.540 5.019 1.00 0.56 C ATOM 1023 O GLU A 64 7.776 -7.171 5.861 1.00 0.70 O ATOM 1024 CB GLU A 64 9.940 -8.484 4.657 1.00 0.72 C ATOM 1025 CG GLU A 64 10.403 -9.474 3.587 1.00 0.96 C ATOM 1026 CD GLU A 64 10.655 -10.827 4.238 1.00 1.18 C ATOM 1027 OE1 GLU A 64 9.788 -11.276 5.034 1.00 1.69 O ATOM 1028 OE2 GLU A 64 11.690 -11.440 3.864 1.00 1.71 O ATOM 0 H GLU A 64 10.112 -6.570 2.284 1.00 0.57 H new ATOM 0 HA GLU A 64 8.586 -7.524 3.255 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.791 -8.184 5.268 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.227 -8.973 5.321 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.647 -9.566 2.807 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.312 -9.112 3.108 1.00 0.96 H new ATOM 1035 N SER A 65 8.246 -5.210 4.906 1.00 0.51 N ATOM 1036 CA SER A 65 7.525 -4.462 5.886 1.00 0.51 C ATOM 1037 C SER A 65 6.078 -4.751 5.675 1.00 0.43 C ATOM 1038 O SER A 65 5.605 -4.928 4.553 1.00 0.50 O ATOM 1039 CB SER A 65 7.747 -2.976 5.554 1.00 0.65 C ATOM 1040 OG SER A 65 8.977 -2.541 6.115 1.00 1.04 O ATOM 0 H SER A 65 8.612 -4.653 4.134 1.00 0.51 H new ATOM 0 HA SER A 65 7.838 -4.704 6.902 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.757 -2.832 4.474 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.925 -2.378 5.947 1.00 0.65 H new ATOM 0 HG SER A 65 8.976 -1.564 6.187 1.00 1.04 H new ATOM 1046 N THR A 66 5.267 -4.763 6.748 1.00 0.45 N ATOM 1047 CA THR A 66 3.872 -5.077 6.756 1.00 0.45 C ATOM 1048 C THR A 66 3.148 -3.782 6.623 1.00 0.43 C ATOM 1049 O THR A 66 3.341 -2.953 7.512 1.00 0.58 O ATOM 1050 CB THR A 66 3.411 -5.832 7.968 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.994 -7.126 8.034 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.895 -6.091 7.944 1.00 0.78 C ATOM 0 H THR A 66 5.614 -4.536 7.680 1.00 0.45 H new ATOM 0 HA THR A 66 3.661 -5.756 5.930 1.00 0.45 H new ATOM 0 HB THR A 66 3.702 -5.206 8.812 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.673 -7.589 8.836 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.605 -6.640 8.840 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.364 -5.140 7.914 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.640 -6.677 7.061 1.00 0.78 H new ATOM 1060 N LEU A 67 2.418 -3.456 5.542 1.00 0.38 N ATOM 1061 CA LEU A 67 1.617 -2.288 5.346 1.00 0.38 C ATOM 1062 C LEU A 67 0.219 -2.802 5.360 1.00 0.37 C ATOM 1063 O LEU A 67 -0.070 -3.998 5.357 1.00 0.50 O ATOM 1064 CB LEU A 67 1.976 -1.492 4.080 1.00 0.46 C ATOM 1065 CG LEU A 67 3.380 -0.937 3.788 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.453 -2.004 3.513 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.246 0.079 2.641 1.00 1.31 C ATOM 0 H LEU A 67 2.387 -4.071 4.729 1.00 0.38 H new ATOM 0 HA LEU A 67 1.784 -1.545 6.126 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.718 -2.130 3.235 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.299 -0.638 4.054 1.00 0.46 H new ATOM 0 HG LEU A 67 3.752 -0.453 4.691 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.409 -1.517 3.318 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.548 -2.656 4.381 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.163 -2.596 2.645 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.226 0.494 2.407 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.842 -0.419 1.759 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.574 0.882 2.943 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.743 -1.918 5.678 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.147 -2.181 5.763 1.00 0.37 C ATOM 1081 C HIS A 68 -2.853 -1.583 4.595 1.00 0.35 C ATOM 1082 O HIS A 68 -2.419 -0.543 4.103 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.758 -1.790 7.119 1.00 0.49 C ATOM 1084 CG HIS A 68 -4.212 -2.136 7.250 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -4.838 -3.234 6.698 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -5.159 -1.447 7.941 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -6.120 -3.191 7.150 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -6.359 -2.127 7.894 1.00 1.51 N ATOM 0 H HIS A 68 -0.522 -0.946 5.892 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.289 -3.261 5.713 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.203 -2.287 7.914 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -2.635 -0.717 7.267 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -4.426 -3.933 6.080 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -4.996 -0.509 8.450 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -6.861 -3.944 6.925 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.907 -2.212 4.046 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.647 -1.700 2.933 1.00 0.38 C ATOM 1098 C LEU A 69 -6.054 -1.749 3.417 1.00 0.41 C ATOM 1099 O LEU A 69 -6.696 -2.773 3.648 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.558 -2.659 1.734 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.508 -2.390 0.553 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.381 -0.919 0.124 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.281 -3.371 -0.608 1.00 1.14 C ATOM 0 H LEU A 69 -4.257 -3.107 4.388 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.289 -0.719 2.620 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.535 -2.637 1.358 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.744 -3.671 2.095 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.534 -2.564 0.877 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.052 -0.725 -0.712 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.646 -0.272 0.960 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.354 -0.716 -0.180 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.974 -3.143 -1.418 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.257 -3.277 -0.969 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.451 -4.390 -0.262 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.659 -0.555 3.538 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.021 -0.372 3.932 1.00 0.56 C ATOM 1117 C VAL A 70 -8.811 -0.289 2.672 1.00 0.55 C ATOM 1118 O VAL A 70 -8.296 0.331 1.742 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.333 0.878 4.700 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.693 0.825 5.414 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.234 0.979 5.773 1.00 0.97 C ATOM 0 H VAL A 70 -6.176 0.324 3.352 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.255 -1.203 4.597 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.372 1.725 4.015 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.859 1.759 5.951 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.485 0.684 4.678 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.701 -0.006 6.120 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.396 1.872 6.377 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.268 0.097 6.413 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.259 1.039 5.290 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.992 -0.929 2.606 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.733 -0.953 1.383 1.00 0.84 C ATOM 1133 C LEU A 71 -12.152 -0.524 1.539 1.00 0.85 C ATOM 1134 O LEU A 71 -12.884 -0.899 2.454 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.694 -2.330 0.700 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.311 -2.756 0.177 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -9.306 -4.226 -0.276 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.834 -2.001 -1.076 1.00 2.78 C ATOM 0 H LEU A 71 -10.428 -1.422 3.385 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.230 -0.225 0.747 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.045 -3.080 1.408 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.396 -2.326 -0.134 1.00 1.26 H new ATOM 0 HG LEU A 71 -8.663 -2.548 1.028 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -8.313 -4.491 -0.639 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -9.568 -4.867 0.566 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.033 -4.363 -1.076 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -7.851 -2.369 -1.370 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.541 -2.163 -1.890 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.772 -0.935 -0.857 1.00 2.78 H new