USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot -120:sc= 0.0636 USER MOD Set 1.2: A 78 MET CE :methyl 177:sc= -0.0362 (180deg=-0.0639) USER MOD Set 2.1: A 13 THR OG1 : rot -79:sc= 0.0157 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.213 X(o=-0.2,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 26:sc= 0.327 USER MOD Single : A 19 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.55) USER MOD Single : A 20 MET CE :methyl -144:sc= -0.901 (180deg=-4.34!) USER MOD Single : A 21 THR OG1 : rot -41:sc= 0.241 USER MOD Single : A 23 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0.697) USER MOD Single : A 32 SER OG : rot -129:sc= 0.0515 USER MOD Single : A 34 GLN : amide:sc= -0.0536 K(o=-0.054,f=-0.99) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 49 GLN : amide:sc=-0.00145 X(o=-0.0015,f=-0.048) USER MOD Single : A 50 MET CE :methyl 151:sc= 0 (180deg=-0.565) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.46 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.95) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -53:sc= 1.26 USER MOD Single : A 72 GLN : amide:sc=-0.00943 X(o=-0.0094,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.040 3.507 12.019 1.00 2.08 N ATOM 2 CA GLY A 9 -9.194 3.499 13.208 1.00 1.10 C ATOM 3 C GLY A 9 -8.442 4.808 13.451 1.00 0.95 C ATOM 4 O GLY A 9 -9.035 5.893 13.471 1.00 1.41 O ATOM 0 HA2 GLY A 9 -9.812 3.281 14.079 1.00 1.10 H new ATOM 0 HA3 GLY A 9 -8.471 2.688 13.120 1.00 1.10 H new ATOM 8 N THR A 10 -7.130 4.691 13.667 1.00 0.88 N ATOM 9 CA THR A 10 -6.199 5.784 13.975 1.00 0.67 C ATOM 10 C THR A 10 -4.923 5.674 13.146 1.00 0.50 C ATOM 11 O THR A 10 -4.542 4.576 12.734 1.00 0.52 O ATOM 12 CB THR A 10 -5.874 5.827 15.473 1.00 0.78 C ATOM 13 OG1 THR A 10 -5.067 6.939 15.780 1.00 0.73 O ATOM 14 CG2 THR A 10 -5.152 4.582 15.986 1.00 0.88 C ATOM 0 H THR A 10 -6.662 3.785 13.630 1.00 0.88 H new ATOM 0 HA THR A 10 -6.691 6.720 13.709 1.00 0.67 H new ATOM 0 HB THR A 10 -6.844 5.889 15.965 1.00 0.78 H new ATOM 0 HG1 THR A 10 -4.874 6.948 16.741 1.00 0.73 H new ATOM 0 HG21 THR A 10 -4.957 4.688 17.053 1.00 0.88 H new ATOM 0 HG22 THR A 10 -5.775 3.704 15.817 1.00 0.88 H new ATOM 0 HG23 THR A 10 -4.208 4.464 15.455 1.00 0.88 H new ATOM 22 N LEU A 11 -4.283 6.814 12.878 1.00 0.48 N ATOM 23 CA LEU A 11 -3.173 6.923 11.924 1.00 0.42 C ATOM 24 C LEU A 11 -1.960 6.105 12.386 1.00 0.43 C ATOM 25 O LEU A 11 -1.453 6.278 13.499 1.00 0.51 O ATOM 26 CB LEU A 11 -2.788 8.397 11.711 1.00 0.44 C ATOM 27 CG LEU A 11 -2.187 8.824 10.356 1.00 0.75 C ATOM 28 CD1 LEU A 11 -0.920 8.071 9.953 1.00 1.99 C ATOM 29 CD2 LEU A 11 -3.193 8.704 9.211 1.00 1.14 C ATOM 0 H LEU A 11 -4.523 7.700 13.322 1.00 0.48 H new ATOM 0 HA LEU A 11 -3.507 6.512 10.971 1.00 0.42 H new ATOM 0 HB2 LEU A 11 -3.682 8.998 11.879 1.00 0.44 H new ATOM 0 HB3 LEU A 11 -2.072 8.666 12.488 1.00 0.44 H new ATOM 0 HG LEU A 11 -1.918 9.867 10.521 1.00 0.75 H new ATOM 0 HD11 LEU A 11 -0.570 8.438 8.988 1.00 1.99 H new ATOM 0 HD12 LEU A 11 -0.147 8.231 10.704 1.00 1.99 H new ATOM 0 HD13 LEU A 11 -1.138 7.006 9.878 1.00 1.99 H new ATOM 0 HD21 LEU A 11 -2.722 9.016 8.279 1.00 1.14 H new ATOM 0 HD22 LEU A 11 -3.522 7.669 9.123 1.00 1.14 H new ATOM 0 HD23 LEU A 11 -4.053 9.342 9.414 1.00 1.14 H new ATOM 41 N CYS A 12 -1.513 5.238 11.492 1.00 0.38 N ATOM 42 CA CYS A 12 -0.436 4.258 11.637 1.00 0.39 C ATOM 43 C CYS A 12 0.212 3.960 10.270 1.00 0.29 C ATOM 44 O CYS A 12 -0.450 4.068 9.236 1.00 0.30 O ATOM 45 CB CYS A 12 -1.033 2.964 12.217 1.00 0.53 C ATOM 46 SG CYS A 12 -1.256 3.113 14.012 1.00 1.67 S ATOM 0 H CYS A 12 -1.928 5.194 10.561 1.00 0.38 H new ATOM 0 HA CYS A 12 0.332 4.656 12.301 1.00 0.39 H new ATOM 0 HB2 CYS A 12 -1.991 2.754 11.742 1.00 0.53 H new ATOM 0 HB3 CYS A 12 -0.376 2.123 11.995 1.00 0.53 H new ATOM 0 HG CYS A 12 -1.393 4.366 14.330 1.00 1.67 H new ATOM 52 N THR A 13 1.472 3.516 10.257 1.00 0.28 N ATOM 53 CA THR A 13 2.134 2.985 9.049 1.00 0.20 C ATOM 54 C THR A 13 1.873 1.486 8.911 1.00 0.24 C ATOM 55 O THR A 13 2.223 0.705 9.794 1.00 0.43 O ATOM 56 CB THR A 13 3.647 3.253 9.059 1.00 0.28 C ATOM 57 OG1 THR A 13 3.884 4.638 9.189 1.00 0.42 O ATOM 58 CG2 THR A 13 4.325 2.807 7.760 1.00 0.34 C ATOM 0 H THR A 13 2.069 3.512 11.084 1.00 0.28 H new ATOM 0 HA THR A 13 1.708 3.507 8.192 1.00 0.20 H new ATOM 0 HB THR A 13 4.057 2.687 9.895 1.00 0.28 H new ATOM 0 HG1 THR A 13 3.757 5.074 8.321 1.00 0.42 H new ATOM 0 HG21 THR A 13 5.393 3.018 7.816 1.00 0.34 H new ATOM 0 HG22 THR A 13 4.173 1.737 7.619 1.00 0.34 H new ATOM 0 HG23 THR A 13 3.892 3.349 6.919 1.00 0.34 H new ATOM 66 N LEU A 14 1.308 1.074 7.778 1.00 0.18 N ATOM 67 CA LEU A 14 1.208 -0.321 7.340 1.00 0.23 C ATOM 68 C LEU A 14 2.278 -0.598 6.279 1.00 0.23 C ATOM 69 O LEU A 14 2.450 0.199 5.358 1.00 0.28 O ATOM 70 CB LEU A 14 -0.217 -0.586 6.825 1.00 0.33 C ATOM 71 CG LEU A 14 -1.244 -1.030 7.890 1.00 0.49 C ATOM 72 CD1 LEU A 14 -1.112 -0.368 9.259 1.00 0.90 C ATOM 73 CD2 LEU A 14 -2.655 -0.742 7.375 1.00 1.75 C ATOM 0 H LEU A 14 0.891 1.725 7.113 1.00 0.18 H new ATOM 0 HA LEU A 14 1.390 -1.003 8.170 1.00 0.23 H new ATOM 0 HB2 LEU A 14 -0.586 0.322 6.348 1.00 0.33 H new ATOM 0 HB3 LEU A 14 -0.167 -1.354 6.053 1.00 0.33 H new ATOM 0 HG LEU A 14 -1.044 -2.091 8.041 1.00 0.49 H new ATOM 0 HD11 LEU A 14 -1.883 -0.754 9.926 1.00 0.90 H new ATOM 0 HD12 LEU A 14 -0.129 -0.587 9.676 1.00 0.90 H new ATOM 0 HD13 LEU A 14 -1.230 0.711 9.155 1.00 0.90 H new ATOM 0 HD21 LEU A 14 -3.385 -1.053 8.122 1.00 1.75 H new ATOM 0 HD22 LEU A 14 -2.762 0.326 7.185 1.00 1.75 H new ATOM 0 HD23 LEU A 14 -2.824 -1.293 6.450 1.00 1.75 H new ATOM 85 N GLU A 15 2.983 -1.722 6.414 1.00 0.29 N ATOM 86 CA GLU A 15 4.095 -2.122 5.539 1.00 0.29 C ATOM 87 C GLU A 15 3.770 -3.431 4.804 1.00 0.25 C ATOM 88 O GLU A 15 3.942 -4.532 5.336 1.00 0.31 O ATOM 89 CB GLU A 15 5.399 -2.209 6.351 1.00 0.40 C ATOM 90 CG GLU A 15 5.824 -0.819 6.845 1.00 1.06 C ATOM 91 CD GLU A 15 7.272 -0.803 7.334 1.00 1.24 C ATOM 92 OE1 GLU A 15 8.214 -0.630 6.522 1.00 2.31 O ATOM 93 OE2 GLU A 15 7.507 -0.907 8.559 1.00 1.68 O ATOM 0 H GLU A 15 2.795 -2.399 7.153 1.00 0.29 H new ATOM 0 HA GLU A 15 4.239 -1.362 4.770 1.00 0.29 H new ATOM 0 HB2 GLU A 15 5.260 -2.876 7.202 1.00 0.40 H new ATOM 0 HB3 GLU A 15 6.189 -2.639 5.735 1.00 0.40 H new ATOM 0 HG2 GLU A 15 5.706 -0.096 6.038 1.00 1.06 H new ATOM 0 HG3 GLU A 15 5.165 -0.505 7.654 1.00 1.06 H new ATOM 100 N PHE A 16 3.262 -3.314 3.576 1.00 0.24 N ATOM 101 CA PHE A 16 2.806 -4.447 2.770 1.00 0.23 C ATOM 102 C PHE A 16 3.829 -4.859 1.713 1.00 0.24 C ATOM 103 O PHE A 16 4.279 -4.053 0.899 1.00 0.50 O ATOM 104 CB PHE A 16 1.500 -4.107 2.047 1.00 0.25 C ATOM 105 CG PHE A 16 0.239 -4.080 2.869 1.00 0.24 C ATOM 106 CD1 PHE A 16 -0.173 -2.889 3.489 1.00 1.50 C ATOM 107 CD2 PHE A 16 -0.582 -5.223 2.907 1.00 1.50 C ATOM 108 CE1 PHE A 16 -1.437 -2.821 4.095 1.00 1.50 C ATOM 109 CE2 PHE A 16 -1.856 -5.146 3.499 1.00 1.52 C ATOM 110 CZ PHE A 16 -2.290 -3.939 4.074 1.00 0.34 C ATOM 0 H PHE A 16 3.154 -2.415 3.106 1.00 0.24 H new ATOM 0 HA PHE A 16 2.660 -5.272 3.467 1.00 0.23 H new ATOM 0 HB2 PHE A 16 1.618 -3.129 1.580 1.00 0.25 H new ATOM 0 HB3 PHE A 16 1.362 -4.830 1.243 1.00 0.25 H new ATOM 0 HD1 PHE A 16 0.480 -2.029 3.499 1.00 1.50 H new ATOM 0 HD2 PHE A 16 -0.236 -6.154 2.484 1.00 1.50 H new ATOM 0 HE1 PHE A 16 -1.755 -1.909 4.578 1.00 1.50 H new ATOM 0 HE2 PHE A 16 -2.500 -6.013 3.512 1.00 1.52 H new ATOM 0 HZ PHE A 16 -3.280 -3.870 4.500 1.00 0.34 H new ATOM 120 N ALA A 17 4.089 -6.159 1.656 1.00 0.24 N ATOM 121 CA ALA A 17 4.804 -6.776 0.536 1.00 0.26 C ATOM 122 C ALA A 17 3.868 -6.957 -0.679 1.00 0.29 C ATOM 123 O ALA A 17 2.689 -7.260 -0.511 1.00 0.41 O ATOM 124 CB ALA A 17 5.393 -8.112 0.994 1.00 0.27 C ATOM 0 H ALA A 17 3.812 -6.819 2.383 1.00 0.24 H new ATOM 0 HA ALA A 17 5.617 -6.123 0.218 1.00 0.26 H new ATOM 0 HB1 ALA A 17 5.927 -8.577 0.165 1.00 0.27 H new ATOM 0 HB2 ALA A 17 6.083 -7.941 1.820 1.00 0.27 H new ATOM 0 HB3 ALA A 17 4.589 -8.770 1.323 1.00 0.27 H new ATOM 130 N VAL A 18 4.375 -6.769 -1.900 1.00 0.35 N ATOM 131 CA VAL A 18 3.599 -6.756 -3.164 1.00 0.42 C ATOM 132 C VAL A 18 4.363 -7.425 -4.317 1.00 0.52 C ATOM 133 O VAL A 18 5.556 -7.716 -4.193 1.00 0.87 O ATOM 134 CB VAL A 18 3.190 -5.315 -3.543 1.00 0.62 C ATOM 135 CG1 VAL A 18 2.074 -4.760 -2.647 1.00 0.63 C ATOM 136 CG2 VAL A 18 4.367 -4.355 -3.466 1.00 0.74 C ATOM 0 H VAL A 18 5.372 -6.615 -2.052 1.00 0.35 H new ATOM 0 HA VAL A 18 2.695 -7.340 -2.992 1.00 0.42 H new ATOM 0 HB VAL A 18 2.827 -5.385 -4.568 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.828 -3.745 -2.959 1.00 0.63 H new ATOM 0 HG12 VAL A 18 1.190 -5.391 -2.734 1.00 0.63 H new ATOM 0 HG13 VAL A 18 2.411 -4.749 -1.611 1.00 0.63 H new ATOM 0 HG21 VAL A 18 4.038 -3.353 -3.740 1.00 0.74 H new ATOM 0 HG22 VAL A 18 4.760 -4.343 -2.450 1.00 0.74 H new ATOM 0 HG23 VAL A 18 5.148 -4.681 -4.153 1.00 0.74 H new ATOM 146 N GLN A 19 3.706 -7.674 -5.457 1.00 0.54 N ATOM 147 CA GLN A 19 4.358 -8.248 -6.648 1.00 0.59 C ATOM 148 C GLN A 19 4.510 -7.204 -7.770 1.00 0.64 C ATOM 149 O GLN A 19 3.646 -7.089 -8.638 1.00 0.74 O ATOM 150 CB GLN A 19 3.557 -9.479 -7.123 1.00 0.68 C ATOM 151 CG GLN A 19 3.542 -10.627 -6.100 1.00 1.52 C ATOM 152 CD GLN A 19 2.773 -11.861 -6.575 1.00 2.01 C ATOM 153 OE1 GLN A 19 2.283 -11.962 -7.693 1.00 2.57 O ATOM 154 NE2 GLN A 19 2.601 -12.841 -5.721 1.00 2.96 N ATOM 0 H GLN A 19 2.712 -7.485 -5.583 1.00 0.54 H new ATOM 0 HA GLN A 19 5.367 -8.563 -6.381 1.00 0.59 H new ATOM 0 HB2 GLN A 19 2.531 -9.177 -7.335 1.00 0.68 H new ATOM 0 HB3 GLN A 19 3.982 -9.841 -8.059 1.00 0.68 H new ATOM 0 HG2 GLN A 19 4.569 -10.914 -5.874 1.00 1.52 H new ATOM 0 HG3 GLN A 19 3.099 -10.269 -5.171 1.00 1.52 H new ATOM 0 HE21 GLN A 19 3.001 -12.778 -4.785 1.00 2.96 H new ATOM 0 HE22 GLN A 19 2.068 -13.667 -5.993 1.00 2.96 H new ATOM 163 N MET A 20 5.638 -6.482 -7.805 1.00 0.64 N ATOM 164 CA MET A 20 6.004 -5.558 -8.893 1.00 0.65 C ATOM 165 C MET A 20 7.521 -5.290 -8.940 1.00 0.76 C ATOM 166 O MET A 20 8.164 -5.270 -7.891 1.00 0.90 O ATOM 167 CB MET A 20 5.232 -4.234 -8.739 1.00 0.48 C ATOM 168 CG MET A 20 5.392 -3.605 -7.352 1.00 0.41 C ATOM 169 SD MET A 20 4.495 -2.050 -7.144 1.00 0.53 S ATOM 170 CE MET A 20 5.223 -1.560 -5.566 1.00 0.47 C ATOM 0 H MET A 20 6.338 -6.523 -7.064 1.00 0.64 H new ATOM 0 HA MET A 20 5.730 -6.032 -9.835 1.00 0.65 H new ATOM 0 HB2 MET A 20 5.578 -3.528 -9.494 1.00 0.48 H new ATOM 0 HB3 MET A 20 4.174 -4.412 -8.931 1.00 0.48 H new ATOM 0 HG2 MET A 20 5.047 -4.315 -6.600 1.00 0.41 H new ATOM 0 HG3 MET A 20 6.451 -3.430 -7.163 1.00 0.41 H new ATOM 0 HE1 MET A 20 4.469 -1.063 -4.956 1.00 0.47 H new ATOM 0 HE2 MET A 20 5.587 -2.444 -5.043 1.00 0.47 H new ATOM 0 HE3 MET A 20 6.053 -0.877 -5.745 1.00 0.47 H new ATOM 180 N THR A 21 8.087 -5.062 -10.134 1.00 0.87 N ATOM 181 CA THR A 21 9.521 -4.763 -10.343 1.00 1.18 C ATOM 182 C THR A 21 9.857 -3.880 -11.563 1.00 0.85 C ATOM 183 O THR A 21 11.039 -3.648 -11.829 1.00 0.93 O ATOM 184 CB THR A 21 10.351 -6.051 -10.293 1.00 1.97 C ATOM 185 OG1 THR A 21 11.701 -5.772 -9.976 1.00 3.80 O ATOM 186 CG2 THR A 21 10.329 -6.886 -11.567 1.00 1.87 C ATOM 0 H THR A 21 7.554 -5.079 -11.003 1.00 0.87 H new ATOM 0 HA THR A 21 9.806 -4.125 -9.506 1.00 1.18 H new ATOM 0 HB THR A 21 9.869 -6.642 -9.514 1.00 1.97 H new ATOM 0 HG1 THR A 21 11.993 -4.974 -10.463 1.00 3.80 H new ATOM 0 HG21 THR A 21 10.945 -7.775 -11.430 1.00 1.87 H new ATOM 0 HG22 THR A 21 9.305 -7.186 -11.788 1.00 1.87 H new ATOM 0 HG23 THR A 21 10.721 -6.296 -12.395 1.00 1.87 H new ATOM 194 N CYS A 22 8.857 -3.338 -12.271 1.00 0.62 N ATOM 195 CA CYS A 22 9.018 -2.231 -13.223 1.00 0.55 C ATOM 196 C CYS A 22 8.013 -1.069 -12.979 1.00 0.51 C ATOM 197 O CYS A 22 6.923 -1.262 -12.435 1.00 0.59 O ATOM 198 CB CYS A 22 9.076 -2.783 -14.664 1.00 0.74 C ATOM 199 SG CYS A 22 7.533 -3.424 -15.383 1.00 1.19 S ATOM 0 H CYS A 22 7.893 -3.664 -12.196 1.00 0.62 H new ATOM 0 HA CYS A 22 9.978 -1.744 -13.052 1.00 0.55 H new ATOM 0 HB2 CYS A 22 9.445 -1.989 -15.313 1.00 0.74 H new ATOM 0 HB3 CYS A 22 9.816 -3.583 -14.688 1.00 0.74 H new ATOM 204 N GLN A 23 8.420 0.153 -13.349 1.00 0.62 N ATOM 205 CA GLN A 23 7.917 1.418 -12.789 1.00 0.76 C ATOM 206 C GLN A 23 6.422 1.699 -13.021 1.00 0.79 C ATOM 207 O GLN A 23 5.796 2.348 -12.183 1.00 1.00 O ATOM 208 CB GLN A 23 8.781 2.586 -13.304 1.00 0.98 C ATOM 209 CG GLN A 23 8.760 3.835 -12.402 1.00 2.51 C ATOM 210 CD GLN A 23 9.189 3.609 -10.946 1.00 2.17 C ATOM 211 OE1 GLN A 23 8.656 4.217 -10.024 1.00 3.00 O ATOM 212 NE2 GLN A 23 10.171 2.778 -10.663 1.00 1.57 N ATOM 0 H GLN A 23 9.130 0.294 -14.068 1.00 0.62 H new ATOM 0 HA GLN A 23 8.004 1.317 -11.707 1.00 0.76 H new ATOM 0 HB2 GLN A 23 9.811 2.243 -13.407 1.00 0.98 H new ATOM 0 HB3 GLN A 23 8.437 2.865 -14.300 1.00 0.98 H new ATOM 0 HG2 GLN A 23 9.413 4.589 -12.841 1.00 2.51 H new ATOM 0 HG3 GLN A 23 7.751 4.246 -12.405 1.00 2.51 H new ATOM 0 HE21 GLN A 23 10.632 2.260 -11.411 1.00 1.57 H new ATOM 0 HE22 GLN A 23 10.471 2.653 -9.696 1.00 1.57 H new ATOM 221 N SER A 24 5.830 1.189 -14.107 1.00 0.68 N ATOM 222 CA SER A 24 4.400 1.387 -14.402 1.00 0.73 C ATOM 223 C SER A 24 3.489 0.861 -13.285 1.00 0.63 C ATOM 224 O SER A 24 2.473 1.488 -12.980 1.00 0.68 O ATOM 225 CB SER A 24 4.007 0.695 -15.712 1.00 0.87 C ATOM 226 OG SER A 24 4.830 1.094 -16.796 1.00 1.16 O ATOM 0 H SER A 24 6.322 0.630 -14.804 1.00 0.68 H new ATOM 0 HA SER A 24 4.260 2.465 -14.487 1.00 0.73 H new ATOM 0 HB2 SER A 24 4.075 -0.385 -15.585 1.00 0.87 H new ATOM 0 HB3 SER A 24 2.967 0.924 -15.944 1.00 0.87 H new ATOM 0 HG SER A 24 4.547 0.628 -17.610 1.00 1.16 H new ATOM 232 N CYS A 25 3.876 -0.246 -12.645 1.00 0.56 N ATOM 233 CA CYS A 25 3.148 -0.885 -11.564 1.00 0.47 C ATOM 234 C CYS A 25 3.281 -0.089 -10.236 1.00 0.39 C ATOM 235 O CYS A 25 2.321 0.069 -9.496 1.00 0.44 O ATOM 236 CB CYS A 25 3.699 -2.320 -11.511 1.00 0.49 C ATOM 237 SG CYS A 25 3.629 -3.238 -13.085 1.00 0.67 S ATOM 0 H CYS A 25 4.740 -0.735 -12.881 1.00 0.56 H new ATOM 0 HA CYS A 25 2.071 -0.907 -11.728 1.00 0.47 H new ATOM 0 HB2 CYS A 25 4.736 -2.282 -11.177 1.00 0.49 H new ATOM 0 HB3 CYS A 25 3.142 -2.878 -10.758 1.00 0.49 H new ATOM 242 N VAL A 26 4.457 0.476 -9.967 1.00 0.38 N ATOM 243 CA VAL A 26 4.834 1.323 -8.821 1.00 0.37 C ATOM 244 C VAL A 26 3.929 2.549 -8.776 1.00 0.35 C ATOM 245 O VAL A 26 3.213 2.743 -7.792 1.00 0.38 O ATOM 246 CB VAL A 26 6.335 1.678 -8.973 1.00 0.50 C ATOM 247 CG1 VAL A 26 7.033 2.102 -7.687 1.00 0.47 C ATOM 248 CG2 VAL A 26 7.104 0.442 -9.415 1.00 0.86 C ATOM 0 H VAL A 26 5.247 0.345 -10.599 1.00 0.38 H new ATOM 0 HA VAL A 26 4.700 0.807 -7.870 1.00 0.37 H new ATOM 0 HB VAL A 26 6.340 2.507 -9.681 1.00 0.50 H new ATOM 0 HG11 VAL A 26 8.078 2.329 -7.898 1.00 0.47 H new ATOM 0 HG12 VAL A 26 6.544 2.988 -7.283 1.00 0.47 H new ATOM 0 HG13 VAL A 26 6.977 1.293 -6.959 1.00 0.47 H new ATOM 0 HG21 VAL A 26 8.160 0.690 -9.523 1.00 0.86 H new ATOM 0 HG22 VAL A 26 6.990 -0.344 -8.668 1.00 0.86 H new ATOM 0 HG23 VAL A 26 6.714 0.093 -10.371 1.00 0.86 H new ATOM 258 N ASP A 27 3.836 3.283 -9.888 1.00 0.37 N ATOM 259 CA ASP A 27 2.898 4.400 -10.054 1.00 0.43 C ATOM 260 C ASP A 27 1.437 3.938 -9.927 1.00 0.41 C ATOM 261 O ASP A 27 0.608 4.634 -9.345 1.00 0.50 O ATOM 262 CB ASP A 27 3.136 5.053 -11.430 1.00 0.54 C ATOM 263 CG ASP A 27 2.823 6.558 -11.477 1.00 1.10 C ATOM 264 OD1 ASP A 27 3.142 7.296 -10.514 1.00 2.16 O ATOM 265 OD2 ASP A 27 2.267 7.039 -12.497 1.00 2.04 O ATOM 0 H ASP A 27 4.417 3.117 -10.710 1.00 0.37 H new ATOM 0 HA ASP A 27 3.077 5.126 -9.261 1.00 0.43 H new ATOM 0 HB2 ASP A 27 4.177 4.901 -11.717 1.00 0.54 H new ATOM 0 HB3 ASP A 27 2.523 4.543 -12.173 1.00 0.54 H new ATOM 270 N ALA A 28 1.124 2.730 -10.406 1.00 0.38 N ATOM 271 CA ALA A 28 -0.257 2.235 -10.436 1.00 0.38 C ATOM 272 C ALA A 28 -0.766 1.824 -9.052 1.00 0.41 C ATOM 273 O ALA A 28 -1.915 2.109 -8.702 1.00 0.54 O ATOM 274 CB ALA A 28 -0.366 1.077 -11.428 1.00 0.36 C ATOM 0 H ALA A 28 1.810 2.075 -10.780 1.00 0.38 H new ATOM 0 HA ALA A 28 -0.896 3.055 -10.764 1.00 0.38 H new ATOM 0 HB1 ALA A 28 -1.392 0.711 -11.449 1.00 0.36 H new ATOM 0 HB2 ALA A 28 -0.084 1.422 -12.423 1.00 0.36 H new ATOM 0 HB3 ALA A 28 0.301 0.271 -11.121 1.00 0.36 H new ATOM 280 N VAL A 29 0.084 1.194 -8.231 1.00 0.37 N ATOM 281 CA VAL A 29 -0.261 0.794 -6.879 1.00 0.44 C ATOM 282 C VAL A 29 -0.317 2.026 -5.972 1.00 0.50 C ATOM 283 O VAL A 29 -1.259 2.150 -5.191 1.00 0.62 O ATOM 284 CB VAL A 29 0.712 -0.300 -6.397 1.00 0.47 C ATOM 285 CG1 VAL A 29 0.316 -0.822 -5.024 1.00 0.55 C ATOM 286 CG2 VAL A 29 0.696 -1.558 -7.282 1.00 0.52 C ATOM 0 H VAL A 29 1.038 0.950 -8.498 1.00 0.37 H new ATOM 0 HA VAL A 29 -1.256 0.351 -6.848 1.00 0.44 H new ATOM 0 HB VAL A 29 1.687 0.188 -6.413 1.00 0.47 H new ATOM 0 HG11 VAL A 29 1.021 -1.592 -4.711 1.00 0.55 H new ATOM 0 HG12 VAL A 29 0.331 -0.003 -4.305 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -0.687 -1.245 -5.071 1.00 0.55 H new ATOM 0 HG21 VAL A 29 1.402 -2.289 -6.888 1.00 0.52 H new ATOM 0 HG22 VAL A 29 -0.306 -1.987 -7.286 1.00 0.52 H new ATOM 0 HG23 VAL A 29 0.980 -1.290 -8.300 1.00 0.52 H new ATOM 296 N ARG A 30 0.576 3.013 -6.165 1.00 0.47 N ATOM 297 CA ARG A 30 0.502 4.335 -5.513 1.00 0.52 C ATOM 298 C ARG A 30 -0.816 5.050 -5.823 1.00 0.56 C ATOM 299 O ARG A 30 -1.345 5.737 -4.956 1.00 0.58 O ATOM 300 CB ARG A 30 1.690 5.192 -6.009 1.00 0.52 C ATOM 301 CG ARG A 30 3.007 4.907 -5.264 1.00 0.60 C ATOM 302 CD ARG A 30 4.317 5.143 -6.049 1.00 0.76 C ATOM 303 NE ARG A 30 4.288 6.180 -7.086 1.00 1.95 N ATOM 304 CZ ARG A 30 4.078 7.473 -6.940 1.00 2.84 C ATOM 305 NH1 ARG A 30 4.086 8.043 -5.770 1.00 2.85 N ATOM 306 NH2 ARG A 30 3.850 8.213 -7.982 1.00 4.85 N ATOM 0 H ARG A 30 1.380 2.915 -6.786 1.00 0.47 H new ATOM 0 HA ARG A 30 0.550 4.195 -4.433 1.00 0.52 H new ATOM 0 HB2 ARG A 30 1.838 5.012 -7.074 1.00 0.52 H new ATOM 0 HB3 ARG A 30 1.439 6.247 -5.896 1.00 0.52 H new ATOM 0 HG2 ARG A 30 3.031 5.527 -4.368 1.00 0.60 H new ATOM 0 HG3 ARG A 30 2.992 3.869 -4.933 1.00 0.60 H new ATOM 0 HD2 ARG A 30 5.100 5.398 -5.335 1.00 0.76 H new ATOM 0 HD3 ARG A 30 4.607 4.202 -6.517 1.00 0.76 H new ATOM 0 HE ARG A 30 4.451 5.860 -8.041 1.00 1.95 H new ATOM 0 HH11 ARG A 30 4.258 7.486 -4.933 1.00 2.85 H new ATOM 0 HH12 ARG A 30 3.920 9.046 -5.690 1.00 2.85 H new ATOM 0 HH21 ARG A 30 3.834 7.794 -8.912 1.00 4.85 H new ATOM 0 HH22 ARG A 30 3.687 9.214 -7.871 1.00 4.85 H new ATOM 320 N LYS A 31 -1.393 4.858 -7.012 1.00 0.64 N ATOM 321 CA LYS A 31 -2.603 5.566 -7.471 1.00 0.70 C ATOM 322 C LYS A 31 -3.931 4.955 -7.014 1.00 0.71 C ATOM 323 O LYS A 31 -4.927 5.674 -6.929 1.00 0.74 O ATOM 324 CB LYS A 31 -2.477 5.837 -8.974 1.00 0.83 C ATOM 325 CG LYS A 31 -1.479 6.999 -9.078 1.00 0.81 C ATOM 326 CD LYS A 31 -0.975 7.365 -10.467 1.00 0.98 C ATOM 327 CE LYS A 31 -0.089 8.586 -10.208 1.00 0.97 C ATOM 328 NZ LYS A 31 0.616 9.052 -11.419 1.00 1.19 N ATOM 0 H LYS A 31 -1.031 4.196 -7.698 1.00 0.64 H new ATOM 0 HA LYS A 31 -2.652 6.529 -6.962 1.00 0.70 H new ATOM 0 HB2 LYS A 31 -2.117 4.957 -9.506 1.00 0.83 H new ATOM 0 HB3 LYS A 31 -3.440 6.102 -9.411 1.00 0.83 H new ATOM 0 HG2 LYS A 31 -1.945 7.884 -8.645 1.00 0.81 H new ATOM 0 HG3 LYS A 31 -0.615 6.758 -8.458 1.00 0.81 H new ATOM 0 HD2 LYS A 31 -0.413 6.548 -10.919 1.00 0.98 H new ATOM 0 HD3 LYS A 31 -1.796 7.600 -11.144 1.00 0.98 H new ATOM 0 HE2 LYS A 31 -0.703 9.397 -9.816 1.00 0.97 H new ATOM 0 HE3 LYS A 31 0.644 8.340 -9.439 1.00 0.97 H new ATOM 0 HZ1 LYS A 31 1.324 9.766 -11.155 1.00 1.19 H new ATOM 0 HZ2 LYS A 31 1.090 8.247 -11.876 1.00 1.19 H new ATOM 0 HZ3 LYS A 31 -0.069 9.472 -12.080 1.00 1.19 H new ATOM 342 N SER A 32 -3.938 3.686 -6.596 1.00 0.72 N ATOM 343 CA SER A 32 -5.009 3.165 -5.723 1.00 0.73 C ATOM 344 C SER A 32 -5.030 3.888 -4.366 1.00 0.60 C ATOM 345 O SER A 32 -6.104 4.257 -3.883 1.00 0.75 O ATOM 346 CB SER A 32 -4.858 1.650 -5.530 1.00 0.87 C ATOM 347 OG SER A 32 -5.842 1.142 -4.641 1.00 1.26 O ATOM 0 H SER A 32 -3.223 3.001 -6.842 1.00 0.72 H new ATOM 0 HA SER A 32 -5.963 3.358 -6.214 1.00 0.73 H new ATOM 0 HB2 SER A 32 -4.942 1.148 -6.494 1.00 0.87 H new ATOM 0 HB3 SER A 32 -3.864 1.428 -5.141 1.00 0.87 H new ATOM 0 HG SER A 32 -5.409 0.604 -3.946 1.00 1.26 H new ATOM 353 N LEU A 33 -3.849 4.152 -3.787 1.00 0.55 N ATOM 354 CA LEU A 33 -3.667 4.795 -2.474 1.00 0.49 C ATOM 355 C LEU A 33 -3.896 6.318 -2.512 1.00 0.41 C ATOM 356 O LEU A 33 -4.431 6.894 -1.564 1.00 0.44 O ATOM 357 CB LEU A 33 -2.238 4.512 -1.955 1.00 0.53 C ATOM 358 CG LEU A 33 -1.797 3.038 -1.957 1.00 0.46 C ATOM 359 CD1 LEU A 33 -0.299 2.897 -1.693 1.00 0.63 C ATOM 360 CD2 LEU A 33 -2.530 2.238 -0.896 1.00 0.56 C ATOM 0 H LEU A 33 -2.963 3.916 -4.234 1.00 0.55 H new ATOM 0 HA LEU A 33 -4.417 4.370 -1.807 1.00 0.49 H new ATOM 0 HB2 LEU A 33 -1.534 5.082 -2.561 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.161 4.892 -0.936 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.037 2.654 -2.948 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -0.026 1.842 -1.702 1.00 0.63 H new ATOM 0 HD12 LEU A 33 0.258 3.423 -2.468 1.00 0.63 H new ATOM 0 HD13 LEU A 33 -0.059 3.326 -0.720 1.00 0.63 H new ATOM 0 HD21 LEU A 33 -2.194 1.201 -0.925 1.00 0.56 H new ATOM 0 HD22 LEU A 33 -2.320 2.660 0.087 1.00 0.56 H new ATOM 0 HD23 LEU A 33 -3.602 2.278 -1.087 1.00 0.56 H new ATOM 372 N GLN A 34 -3.493 6.975 -3.602 1.00 0.41 N ATOM 373 CA GLN A 34 -3.595 8.423 -3.763 1.00 0.49 C ATOM 374 C GLN A 34 -5.057 8.861 -3.828 1.00 0.54 C ATOM 375 O GLN A 34 -5.840 8.394 -4.661 1.00 0.60 O ATOM 376 CB GLN A 34 -2.798 8.866 -4.998 1.00 0.66 C ATOM 377 CG GLN A 34 -1.330 9.130 -4.638 1.00 0.99 C ATOM 378 CD GLN A 34 -0.409 9.277 -5.849 1.00 1.11 C ATOM 379 OE1 GLN A 34 -0.823 9.377 -6.996 1.00 1.69 O ATOM 380 NE2 GLN A 34 0.885 9.327 -5.635 1.00 1.10 N ATOM 0 H GLN A 34 -3.081 6.507 -4.409 1.00 0.41 H new ATOM 0 HA GLN A 34 -3.160 8.915 -2.893 1.00 0.49 H new ATOM 0 HB2 GLN A 34 -2.855 8.096 -5.768 1.00 0.66 H new ATOM 0 HB3 GLN A 34 -3.242 9.769 -5.417 1.00 0.66 H new ATOM 0 HG2 GLN A 34 -1.272 10.038 -4.038 1.00 0.99 H new ATOM 0 HG3 GLN A 34 -0.967 8.312 -4.015 1.00 0.99 H new ATOM 0 HE21 GLN A 34 1.248 9.245 -4.685 1.00 1.10 H new ATOM 0 HE22 GLN A 34 1.527 9.447 -6.418 1.00 1.10 H new ATOM 389 N GLY A 35 -5.393 9.770 -2.919 1.00 0.58 N ATOM 390 CA GLY A 35 -6.725 10.342 -2.712 1.00 0.64 C ATOM 391 C GLY A 35 -7.664 9.583 -1.770 1.00 0.60 C ATOM 392 O GLY A 35 -8.810 10.009 -1.615 1.00 0.84 O ATOM 0 H GLY A 35 -4.706 10.151 -2.268 1.00 0.58 H new ATOM 0 HA2 GLY A 35 -6.604 11.355 -2.327 1.00 0.64 H new ATOM 0 HA3 GLY A 35 -7.213 10.426 -3.683 1.00 0.64 H new ATOM 396 N VAL A 36 -7.226 8.495 -1.123 1.00 0.50 N ATOM 397 CA VAL A 36 -8.077 7.698 -0.235 1.00 0.58 C ATOM 398 C VAL A 36 -8.403 8.502 1.019 1.00 0.52 C ATOM 399 O VAL A 36 -7.525 9.022 1.710 1.00 0.46 O ATOM 400 CB VAL A 36 -7.430 6.339 0.101 1.00 0.72 C ATOM 401 CG1 VAL A 36 -8.195 5.562 1.179 1.00 0.91 C ATOM 402 CG2 VAL A 36 -7.390 5.449 -1.146 1.00 0.90 C ATOM 0 H VAL A 36 -6.272 8.144 -1.202 1.00 0.50 H new ATOM 0 HA VAL A 36 -9.011 7.473 -0.751 1.00 0.58 H new ATOM 0 HB VAL A 36 -6.430 6.570 0.469 1.00 0.72 H new ATOM 0 HG11 VAL A 36 -7.691 4.615 1.372 1.00 0.91 H new ATOM 0 HG12 VAL A 36 -8.227 6.149 2.097 1.00 0.91 H new ATOM 0 HG13 VAL A 36 -9.211 5.369 0.836 1.00 0.91 H new ATOM 0 HG21 VAL A 36 -6.931 4.493 -0.896 1.00 0.90 H new ATOM 0 HG22 VAL A 36 -8.405 5.281 -1.506 1.00 0.90 H new ATOM 0 HG23 VAL A 36 -6.805 5.939 -1.924 1.00 0.90 H new ATOM 412 N ALA A 37 -9.691 8.589 1.322 1.00 0.68 N ATOM 413 CA ALA A 37 -10.197 9.204 2.545 1.00 0.77 C ATOM 414 C ALA A 37 -9.742 8.395 3.779 1.00 0.72 C ATOM 415 O ALA A 37 -10.235 7.288 4.029 1.00 0.91 O ATOM 416 CB ALA A 37 -11.722 9.327 2.429 1.00 1.02 C ATOM 0 H ALA A 37 -10.428 8.228 0.715 1.00 0.68 H new ATOM 0 HA ALA A 37 -9.789 10.206 2.678 1.00 0.77 H new ATOM 0 HB1 ALA A 37 -12.120 9.785 3.334 1.00 1.02 H new ATOM 0 HB2 ALA A 37 -11.973 9.947 1.568 1.00 1.02 H new ATOM 0 HB3 ALA A 37 -12.158 8.336 2.302 1.00 1.02 H new ATOM 422 N GLY A 38 -8.811 8.960 4.554 1.00 0.61 N ATOM 423 CA GLY A 38 -8.099 8.306 5.659 1.00 0.55 C ATOM 424 C GLY A 38 -6.643 7.911 5.365 1.00 0.39 C ATOM 425 O GLY A 38 -6.024 7.233 6.187 1.00 0.31 O ATOM 0 H GLY A 38 -8.519 9.929 4.423 1.00 0.61 H new ATOM 0 HA2 GLY A 38 -8.109 8.974 6.521 1.00 0.55 H new ATOM 0 HA3 GLY A 38 -8.650 7.410 5.944 1.00 0.55 H new ATOM 429 N VAL A 39 -6.046 8.344 4.246 1.00 0.44 N ATOM 430 CA VAL A 39 -4.579 8.344 4.065 1.00 0.45 C ATOM 431 C VAL A 39 -3.982 9.702 4.470 1.00 0.54 C ATOM 432 O VAL A 39 -4.611 10.744 4.266 1.00 0.81 O ATOM 433 CB VAL A 39 -4.196 7.913 2.628 1.00 0.56 C ATOM 434 CG1 VAL A 39 -4.147 9.052 1.607 1.00 1.50 C ATOM 435 CG2 VAL A 39 -2.849 7.184 2.602 1.00 1.68 C ATOM 0 H VAL A 39 -6.559 8.704 3.441 1.00 0.44 H new ATOM 0 HA VAL A 39 -4.141 7.601 4.731 1.00 0.45 H new ATOM 0 HB VAL A 39 -5.006 7.246 2.331 1.00 0.56 H new ATOM 0 HG11 VAL A 39 -3.871 8.654 0.631 1.00 1.50 H new ATOM 0 HG12 VAL A 39 -5.127 9.525 1.542 1.00 1.50 H new ATOM 0 HG13 VAL A 39 -3.408 9.790 1.920 1.00 1.50 H new ATOM 0 HG21 VAL A 39 -2.611 6.896 1.578 1.00 1.68 H new ATOM 0 HG22 VAL A 39 -2.070 7.845 2.983 1.00 1.68 H new ATOM 0 HG23 VAL A 39 -2.906 6.292 3.226 1.00 1.68 H new ATOM 445 N GLN A 40 -2.774 9.710 5.038 1.00 0.44 N ATOM 446 CA GLN A 40 -1.912 10.893 5.173 1.00 0.48 C ATOM 447 C GLN A 40 -0.830 10.907 4.084 1.00 0.41 C ATOM 448 O GLN A 40 -0.660 11.924 3.412 1.00 0.51 O ATOM 449 CB GLN A 40 -1.250 10.911 6.565 1.00 0.64 C ATOM 450 CG GLN A 40 -2.120 11.545 7.664 1.00 0.93 C ATOM 451 CD GLN A 40 -2.140 13.076 7.685 1.00 1.71 C ATOM 452 OE1 GLN A 40 -1.499 13.760 6.895 1.00 2.88 O ATOM 453 NE2 GLN A 40 -2.837 13.674 8.629 1.00 1.73 N ATOM 0 H GLN A 40 -2.353 8.868 5.430 1.00 0.44 H new ATOM 0 HA GLN A 40 -2.533 11.781 5.058 1.00 0.48 H new ATOM 0 HB2 GLN A 40 -1.007 9.888 6.853 1.00 0.64 H new ATOM 0 HB3 GLN A 40 -0.309 11.457 6.501 1.00 0.64 H new ATOM 0 HG2 GLN A 40 -3.143 11.187 7.546 1.00 0.93 H new ATOM 0 HG3 GLN A 40 -1.768 11.190 8.632 1.00 0.93 H new ATOM 0 HE21 GLN A 40 -3.376 13.119 9.294 1.00 1.73 H new ATOM 0 HE22 GLN A 40 -2.838 14.692 8.695 1.00 1.73 H new ATOM 462 N ASP A 41 -0.110 9.792 3.908 1.00 0.36 N ATOM 463 CA ASP A 41 1.116 9.676 3.107 1.00 0.38 C ATOM 464 C ASP A 41 1.370 8.222 2.659 1.00 0.33 C ATOM 465 O ASP A 41 0.766 7.275 3.168 1.00 0.31 O ATOM 466 CB ASP A 41 2.318 10.147 3.949 1.00 0.42 C ATOM 467 CG ASP A 41 2.414 11.666 4.093 1.00 0.71 C ATOM 468 OD1 ASP A 41 2.601 12.371 3.066 1.00 1.64 O ATOM 469 OD2 ASP A 41 2.360 12.159 5.247 1.00 1.70 O ATOM 0 H ASP A 41 -0.377 8.907 4.339 1.00 0.36 H new ATOM 0 HA ASP A 41 0.994 10.295 2.218 1.00 0.38 H new ATOM 0 HB2 ASP A 41 2.251 9.701 4.941 1.00 0.42 H new ATOM 0 HB3 ASP A 41 3.236 9.776 3.494 1.00 0.42 H new ATOM 474 N VAL A 42 2.315 8.052 1.734 1.00 0.35 N ATOM 475 CA VAL A 42 2.822 6.774 1.201 1.00 0.38 C ATOM 476 C VAL A 42 4.326 6.843 0.884 1.00 0.40 C ATOM 477 O VAL A 42 4.862 7.918 0.598 1.00 0.44 O ATOM 478 CB VAL A 42 2.061 6.356 -0.077 1.00 0.48 C ATOM 479 CG1 VAL A 42 0.590 6.030 0.201 1.00 0.81 C ATOM 480 CG2 VAL A 42 2.108 7.384 -1.218 1.00 0.66 C ATOM 0 H VAL A 42 2.781 8.851 1.305 1.00 0.35 H new ATOM 0 HA VAL A 42 2.658 6.030 1.981 1.00 0.38 H new ATOM 0 HB VAL A 42 2.597 5.465 -0.403 1.00 0.48 H new ATOM 0 HG11 VAL A 42 0.099 5.742 -0.729 1.00 0.81 H new ATOM 0 HG12 VAL A 42 0.528 5.208 0.914 1.00 0.81 H new ATOM 0 HG13 VAL A 42 0.095 6.908 0.616 1.00 0.81 H new ATOM 0 HG21 VAL A 42 1.548 7.005 -2.073 1.00 0.66 H new ATOM 0 HG22 VAL A 42 1.666 8.322 -0.881 1.00 0.66 H new ATOM 0 HG23 VAL A 42 3.144 7.556 -1.511 1.00 0.66 H new ATOM 490 N GLU A 43 5.011 5.698 0.870 1.00 0.43 N ATOM 491 CA GLU A 43 6.373 5.541 0.323 1.00 0.51 C ATOM 492 C GLU A 43 6.527 4.123 -0.255 1.00 0.55 C ATOM 493 O GLU A 43 6.341 3.134 0.452 1.00 0.73 O ATOM 494 CB GLU A 43 7.428 5.856 1.411 1.00 0.56 C ATOM 495 CG GLU A 43 8.879 5.800 0.901 1.00 0.68 C ATOM 496 CD GLU A 43 9.889 6.405 1.899 1.00 1.62 C ATOM 497 OE1 GLU A 43 9.868 6.056 3.102 1.00 2.93 O ATOM 498 OE2 GLU A 43 10.714 7.270 1.499 1.00 2.33 O ATOM 0 H GLU A 43 4.631 4.829 1.246 1.00 0.43 H new ATOM 0 HA GLU A 43 6.537 6.251 -0.487 1.00 0.51 H new ATOM 0 HB2 GLU A 43 7.233 6.849 1.817 1.00 0.56 H new ATOM 0 HB3 GLU A 43 7.313 5.148 2.232 1.00 0.56 H new ATOM 0 HG2 GLU A 43 9.149 4.763 0.702 1.00 0.68 H new ATOM 0 HG3 GLU A 43 8.947 6.335 -0.046 1.00 0.68 H new ATOM 505 N VAL A 44 6.835 3.984 -1.547 1.00 0.41 N ATOM 506 CA VAL A 44 7.020 2.676 -2.194 1.00 0.39 C ATOM 507 C VAL A 44 8.504 2.342 -2.323 1.00 0.45 C ATOM 508 O VAL A 44 9.322 3.194 -2.685 1.00 0.59 O ATOM 509 CB VAL A 44 6.258 2.599 -3.526 1.00 0.51 C ATOM 510 CG1 VAL A 44 6.839 3.466 -4.632 1.00 1.73 C ATOM 511 CG2 VAL A 44 6.205 1.168 -4.031 1.00 2.03 C ATOM 0 H VAL A 44 6.964 4.775 -2.178 1.00 0.41 H new ATOM 0 HA VAL A 44 6.585 1.905 -1.558 1.00 0.39 H new ATOM 0 HB VAL A 44 5.262 2.979 -3.298 1.00 0.51 H new ATOM 0 HG11 VAL A 44 6.241 3.352 -5.536 1.00 1.73 H new ATOM 0 HG12 VAL A 44 6.828 4.510 -4.319 1.00 1.73 H new ATOM 0 HG13 VAL A 44 7.865 3.158 -4.834 1.00 1.73 H new ATOM 0 HG21 VAL A 44 5.661 1.135 -4.975 1.00 2.03 H new ATOM 0 HG22 VAL A 44 7.219 0.798 -4.183 1.00 2.03 H new ATOM 0 HG23 VAL A 44 5.697 0.542 -3.298 1.00 2.03 H new ATOM 521 N HIS A 45 8.856 1.084 -2.060 1.00 0.42 N ATOM 522 CA HIS A 45 10.191 0.547 -2.275 1.00 0.40 C ATOM 523 C HIS A 45 10.138 -0.614 -3.268 1.00 0.37 C ATOM 524 O HIS A 45 9.858 -1.764 -2.927 1.00 0.31 O ATOM 525 CB HIS A 45 10.805 0.120 -0.935 1.00 0.50 C ATOM 526 CG HIS A 45 11.134 1.233 0.036 1.00 0.52 C ATOM 527 ND1 HIS A 45 12.405 1.589 0.416 1.00 0.64 N ATOM 528 CD2 HIS A 45 10.269 2.009 0.766 1.00 0.55 C ATOM 529 CE1 HIS A 45 12.318 2.565 1.330 1.00 0.74 C ATOM 530 NE2 HIS A 45 11.031 2.847 1.592 1.00 0.69 N ATOM 0 H HIS A 45 8.203 0.397 -1.683 1.00 0.42 H new ATOM 0 HA HIS A 45 10.829 1.320 -2.704 1.00 0.40 H new ATOM 0 HB2 HIS A 45 10.115 -0.568 -0.446 1.00 0.50 H new ATOM 0 HB3 HIS A 45 11.719 -0.437 -1.140 1.00 0.50 H new ATOM 0 HD2 HIS A 45 9.191 1.979 0.713 1.00 0.55 H new ATOM 0 HE1 HIS A 45 13.163 3.055 1.791 1.00 0.74 H new ATOM 0 HE2 HIS A 45 10.679 3.534 2.259 1.00 0.69 H new ATOM 538 N LEU A 46 10.440 -0.296 -4.521 1.00 0.52 N ATOM 539 CA LEU A 46 10.477 -1.215 -5.653 1.00 0.47 C ATOM 540 C LEU A 46 11.631 -2.224 -5.530 1.00 0.44 C ATOM 541 O LEU A 46 11.479 -3.401 -5.860 1.00 0.51 O ATOM 542 CB LEU A 46 10.571 -0.301 -6.890 1.00 0.57 C ATOM 543 CG LEU A 46 10.365 -0.923 -8.278 1.00 0.71 C ATOM 544 CD1 LEU A 46 11.628 -1.556 -8.845 1.00 1.59 C ATOM 545 CD2 LEU A 46 9.221 -1.936 -8.273 1.00 0.83 C ATOM 0 H LEU A 46 10.678 0.659 -4.789 1.00 0.52 H new ATOM 0 HA LEU A 46 9.594 -1.852 -5.713 1.00 0.47 H new ATOM 0 HB2 LEU A 46 9.835 0.495 -6.771 1.00 0.57 H new ATOM 0 HB3 LEU A 46 11.554 0.170 -6.880 1.00 0.57 H new ATOM 0 HG LEU A 46 10.100 -0.095 -8.936 1.00 0.71 H new ATOM 0 HD11 LEU A 46 11.414 -1.977 -9.827 1.00 1.59 H new ATOM 0 HD12 LEU A 46 12.406 -0.798 -8.937 1.00 1.59 H new ATOM 0 HD13 LEU A 46 11.970 -2.347 -8.178 1.00 1.59 H new ATOM 0 HD21 LEU A 46 9.103 -2.357 -9.272 1.00 0.83 H new ATOM 0 HD22 LEU A 46 9.446 -2.735 -7.567 1.00 0.83 H new ATOM 0 HD23 LEU A 46 8.297 -1.440 -7.977 1.00 0.83 H new ATOM 557 N GLU A 47 12.745 -1.780 -4.954 1.00 0.47 N ATOM 558 CA GLU A 47 13.943 -2.590 -4.641 1.00 0.55 C ATOM 559 C GLU A 47 13.741 -3.601 -3.494 1.00 0.56 C ATOM 560 O GLU A 47 14.583 -4.477 -3.268 1.00 0.75 O ATOM 561 CB GLU A 47 15.116 -1.651 -4.317 1.00 0.65 C ATOM 562 CG GLU A 47 15.608 -0.883 -5.551 1.00 1.00 C ATOM 563 CD GLU A 47 16.634 0.189 -5.177 1.00 1.81 C ATOM 564 OE1 GLU A 47 17.673 -0.127 -4.539 1.00 2.67 O ATOM 565 OE2 GLU A 47 16.429 1.372 -5.526 1.00 2.77 O ATOM 0 H GLU A 47 12.853 -0.805 -4.676 1.00 0.47 H new ATOM 0 HA GLU A 47 14.155 -3.189 -5.527 1.00 0.55 H new ATOM 0 HB2 GLU A 47 14.808 -0.941 -3.549 1.00 0.65 H new ATOM 0 HB3 GLU A 47 15.939 -2.232 -3.902 1.00 0.65 H new ATOM 0 HG2 GLU A 47 16.053 -1.581 -6.261 1.00 1.00 H new ATOM 0 HG3 GLU A 47 14.760 -0.416 -6.052 1.00 1.00 H new ATOM 572 N ASP A 48 12.621 -3.507 -2.773 1.00 0.44 N ATOM 573 CA ASP A 48 12.178 -4.426 -1.747 1.00 0.36 C ATOM 574 C ASP A 48 10.835 -5.103 -2.091 1.00 0.31 C ATOM 575 O ASP A 48 10.378 -5.971 -1.341 1.00 0.36 O ATOM 576 CB ASP A 48 12.081 -3.579 -0.476 1.00 0.51 C ATOM 577 CG ASP A 48 13.444 -3.316 0.171 1.00 1.60 C ATOM 578 OD1 ASP A 48 14.153 -4.300 0.503 1.00 2.09 O ATOM 579 OD2 ASP A 48 13.806 -2.134 0.372 1.00 2.71 O ATOM 0 H ASP A 48 11.966 -2.736 -2.906 1.00 0.44 H new ATOM 0 HA ASP A 48 12.874 -5.257 -1.634 1.00 0.36 H new ATOM 0 HB2 ASP A 48 11.608 -2.626 -0.716 1.00 0.51 H new ATOM 0 HB3 ASP A 48 11.435 -4.084 0.242 1.00 0.51 H new ATOM 584 N GLN A 49 10.201 -4.707 -3.206 1.00 0.28 N ATOM 585 CA GLN A 49 8.800 -4.983 -3.562 1.00 0.29 C ATOM 586 C GLN A 49 7.849 -4.782 -2.369 1.00 0.34 C ATOM 587 O GLN A 49 7.088 -5.676 -1.983 1.00 0.59 O ATOM 588 CB GLN A 49 8.637 -6.359 -4.215 1.00 0.37 C ATOM 589 CG GLN A 49 9.628 -6.654 -5.363 1.00 0.41 C ATOM 590 CD GLN A 49 10.917 -7.349 -4.932 1.00 1.40 C ATOM 591 OE1 GLN A 49 10.900 -8.379 -4.269 1.00 1.66 O ATOM 592 NE2 GLN A 49 12.075 -6.838 -5.287 1.00 2.56 N ATOM 0 H GLN A 49 10.677 -4.157 -3.921 1.00 0.28 H new ATOM 0 HA GLN A 49 8.511 -4.247 -4.312 1.00 0.29 H new ATOM 0 HB2 GLN A 49 8.753 -7.125 -3.448 1.00 0.37 H new ATOM 0 HB3 GLN A 49 7.621 -6.444 -4.600 1.00 0.37 H new ATOM 0 HG2 GLN A 49 9.128 -7.275 -6.106 1.00 0.41 H new ATOM 0 HG3 GLN A 49 9.884 -5.715 -5.853 1.00 0.41 H new ATOM 0 HE21 GLN A 49 12.106 -5.981 -5.839 1.00 2.56 H new ATOM 0 HE22 GLN A 49 12.942 -7.299 -5.010 1.00 2.56 H new ATOM 601 N MET A 50 7.953 -3.606 -1.753 1.00 0.30 N ATOM 602 CA MET A 50 7.323 -3.251 -0.485 1.00 0.29 C ATOM 603 C MET A 50 6.638 -1.873 -0.579 1.00 0.27 C ATOM 604 O MET A 50 7.055 -1.019 -1.365 1.00 0.32 O ATOM 605 CB MET A 50 8.415 -3.278 0.598 1.00 0.44 C ATOM 606 CG MET A 50 7.998 -2.718 1.962 1.00 0.53 C ATOM 607 SD MET A 50 6.703 -3.587 2.870 1.00 1.85 S ATOM 608 CE MET A 50 7.547 -5.141 3.235 1.00 0.70 C ATOM 0 H MET A 50 8.504 -2.841 -2.143 1.00 0.30 H new ATOM 0 HA MET A 50 6.538 -3.964 -0.231 1.00 0.29 H new ATOM 0 HB2 MET A 50 8.745 -4.308 0.732 1.00 0.44 H new ATOM 0 HB3 MET A 50 9.274 -2.712 0.238 1.00 0.44 H new ATOM 0 HG2 MET A 50 8.885 -2.683 2.595 1.00 0.53 H new ATOM 0 HG3 MET A 50 7.671 -1.689 1.815 1.00 0.53 H new ATOM 0 HE1 MET A 50 7.154 -5.559 4.162 1.00 0.70 H new ATOM 0 HE2 MET A 50 7.381 -5.845 2.420 1.00 0.70 H new ATOM 0 HE3 MET A 50 8.616 -4.958 3.344 1.00 0.70 H new ATOM 618 N VAL A 51 5.611 -1.630 0.237 1.00 0.30 N ATOM 619 CA VAL A 51 4.817 -0.393 0.244 1.00 0.33 C ATOM 620 C VAL A 51 4.497 0.069 1.670 1.00 0.31 C ATOM 621 O VAL A 51 3.867 -0.669 2.429 1.00 0.31 O ATOM 622 CB VAL A 51 3.497 -0.568 -0.547 1.00 0.39 C ATOM 623 CG1 VAL A 51 3.047 0.807 -1.037 1.00 0.63 C ATOM 624 CG2 VAL A 51 3.597 -1.460 -1.786 1.00 0.65 C ATOM 0 H VAL A 51 5.297 -2.306 0.933 1.00 0.30 H new ATOM 0 HA VAL A 51 5.426 0.370 -0.241 1.00 0.33 H new ATOM 0 HB VAL A 51 2.803 -1.047 0.144 1.00 0.39 H new ATOM 0 HG11 VAL A 51 2.118 0.707 -1.598 1.00 0.63 H new ATOM 0 HG12 VAL A 51 2.886 1.463 -0.182 1.00 0.63 H new ATOM 0 HG13 VAL A 51 3.816 1.233 -1.682 1.00 0.63 H new ATOM 0 HG21 VAL A 51 2.623 -1.520 -2.271 1.00 0.65 H new ATOM 0 HG22 VAL A 51 4.323 -1.037 -2.481 1.00 0.65 H new ATOM 0 HG23 VAL A 51 3.917 -2.459 -1.490 1.00 0.65 H new ATOM 634 N LEU A 52 4.882 1.303 2.014 1.00 0.39 N ATOM 635 CA LEU A 52 4.434 2.025 3.208 1.00 0.35 C ATOM 636 C LEU A 52 3.148 2.792 2.902 1.00 0.28 C ATOM 637 O LEU A 52 3.059 3.523 1.912 1.00 0.30 O ATOM 638 CB LEU A 52 5.483 3.040 3.709 1.00 0.38 C ATOM 639 CG LEU A 52 6.783 2.479 4.313 1.00 0.54 C ATOM 640 CD1 LEU A 52 7.790 1.978 3.275 1.00 1.01 C ATOM 641 CD2 LEU A 52 7.472 3.576 5.123 1.00 1.12 C ATOM 0 H LEU A 52 5.536 1.844 1.449 1.00 0.39 H new ATOM 0 HA LEU A 52 4.272 1.276 3.983 1.00 0.35 H new ATOM 0 HB2 LEU A 52 5.752 3.686 2.873 1.00 0.38 H new ATOM 0 HB3 LEU A 52 5.008 3.671 4.460 1.00 0.38 H new ATOM 0 HG LEU A 52 6.485 1.626 4.923 1.00 0.54 H new ATOM 0 HD11 LEU A 52 8.677 1.599 3.782 1.00 1.01 H new ATOM 0 HD12 LEU A 52 7.339 1.179 2.687 1.00 1.01 H new ATOM 0 HD13 LEU A 52 8.072 2.799 2.616 1.00 1.01 H new ATOM 0 HD21 LEU A 52 8.394 3.186 5.554 1.00 1.12 H new ATOM 0 HD22 LEU A 52 7.704 4.418 4.471 1.00 1.12 H new ATOM 0 HD23 LEU A 52 6.810 3.908 5.923 1.00 1.12 H new ATOM 653 N VAL A 53 2.174 2.664 3.799 1.00 0.26 N ATOM 654 CA VAL A 53 0.874 3.329 3.735 1.00 0.24 C ATOM 655 C VAL A 53 0.573 3.932 5.107 1.00 0.22 C ATOM 656 O VAL A 53 0.322 3.205 6.066 1.00 0.22 O ATOM 657 CB VAL A 53 -0.217 2.332 3.293 1.00 0.27 C ATOM 658 CG1 VAL A 53 -1.537 3.074 3.051 1.00 0.29 C ATOM 659 CG2 VAL A 53 0.144 1.581 2.004 1.00 0.33 C ATOM 0 H VAL A 53 2.272 2.071 4.623 1.00 0.26 H new ATOM 0 HA VAL A 53 0.891 4.128 2.994 1.00 0.24 H new ATOM 0 HB VAL A 53 -0.310 1.605 4.100 1.00 0.27 H new ATOM 0 HG11 VAL A 53 -2.302 2.363 2.739 1.00 0.29 H new ATOM 0 HG12 VAL A 53 -1.852 3.566 3.971 1.00 0.29 H new ATOM 0 HG13 VAL A 53 -1.396 3.821 2.270 1.00 0.29 H new ATOM 0 HG21 VAL A 53 -0.662 0.895 1.745 1.00 0.33 H new ATOM 0 HG22 VAL A 53 0.286 2.296 1.194 1.00 0.33 H new ATOM 0 HG23 VAL A 53 1.065 1.018 2.157 1.00 0.33 H new ATOM 669 N HIS A 54 0.616 5.259 5.211 1.00 0.23 N ATOM 670 CA HIS A 54 0.376 6.003 6.450 1.00 0.23 C ATOM 671 C HIS A 54 -1.126 6.343 6.533 1.00 0.23 C ATOM 672 O HIS A 54 -1.591 7.266 5.858 1.00 0.25 O ATOM 673 CB HIS A 54 1.271 7.259 6.462 1.00 0.27 C ATOM 674 CG HIS A 54 2.757 7.021 6.260 1.00 0.34 C ATOM 675 ND1 HIS A 54 3.748 7.276 7.178 1.00 0.50 N ATOM 676 CD2 HIS A 54 3.391 6.613 5.115 1.00 0.36 C ATOM 677 CE1 HIS A 54 4.937 7.014 6.616 1.00 0.58 C ATOM 678 NE2 HIS A 54 4.773 6.623 5.343 1.00 0.50 N ATOM 0 H HIS A 54 0.824 5.864 4.416 1.00 0.23 H new ATOM 0 HA HIS A 54 0.634 5.412 7.329 1.00 0.23 H new ATOM 0 HB2 HIS A 54 0.923 7.936 5.682 1.00 0.27 H new ATOM 0 HB3 HIS A 54 1.132 7.771 7.414 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.906 6.331 4.192 1.00 0.36 H new ATOM 0 HE1 HIS A 54 5.890 7.105 7.116 1.00 0.58 H new ATOM 0 HE2 HIS A 54 5.506 6.382 4.676 1.00 0.50 H new ATOM 686 N THR A 55 -1.916 5.573 7.292 1.00 0.23 N ATOM 687 CA THR A 55 -3.391 5.580 7.188 1.00 0.26 C ATOM 688 C THR A 55 -4.133 5.223 8.489 1.00 0.27 C ATOM 689 O THR A 55 -3.611 4.513 9.348 1.00 0.28 O ATOM 690 CB THR A 55 -3.832 4.628 6.060 1.00 0.27 C ATOM 691 OG1 THR A 55 -5.224 4.676 5.868 1.00 0.32 O ATOM 692 CG2 THR A 55 -3.487 3.157 6.302 1.00 0.27 C ATOM 0 H THR A 55 -1.557 4.927 7.995 1.00 0.23 H new ATOM 0 HA THR A 55 -3.668 6.611 6.967 1.00 0.26 H new ATOM 0 HB THR A 55 -3.280 4.985 5.190 1.00 0.27 H new ATOM 0 HG1 THR A 55 -5.511 5.610 5.790 1.00 0.32 H new ATOM 0 HG21 THR A 55 -3.833 2.559 5.459 1.00 0.27 H new ATOM 0 HG22 THR A 55 -2.407 3.049 6.405 1.00 0.27 H new ATOM 0 HG23 THR A 55 -3.974 2.814 7.215 1.00 0.27 H new ATOM 700 N THR A 56 -5.374 5.706 8.626 1.00 0.30 N ATOM 701 CA THR A 56 -6.324 5.345 9.700 1.00 0.33 C ATOM 702 C THR A 56 -7.109 4.061 9.419 1.00 0.33 C ATOM 703 O THR A 56 -7.758 3.535 10.324 1.00 0.40 O ATOM 704 CB THR A 56 -7.357 6.463 9.927 1.00 0.46 C ATOM 705 OG1 THR A 56 -8.053 6.686 8.721 1.00 0.63 O ATOM 706 CG2 THR A 56 -6.734 7.783 10.356 1.00 0.41 C ATOM 0 H THR A 56 -5.764 6.384 7.971 1.00 0.30 H new ATOM 0 HA THR A 56 -5.699 5.193 10.580 1.00 0.33 H new ATOM 0 HB THR A 56 -8.012 6.129 10.731 1.00 0.46 H new ATOM 0 HG1 THR A 56 -8.716 7.396 8.852 1.00 0.63 H new ATOM 0 HG21 THR A 56 -7.518 8.526 10.498 1.00 0.41 H new ATOM 0 HG22 THR A 56 -6.193 7.643 11.292 1.00 0.41 H new ATOM 0 HG23 THR A 56 -6.044 8.127 9.586 1.00 0.41 H new ATOM 714 N LEU A 57 -7.092 3.555 8.182 1.00 0.32 N ATOM 715 CA LEU A 57 -7.891 2.400 7.764 1.00 0.33 C ATOM 716 C LEU A 57 -7.439 1.101 8.457 1.00 0.36 C ATOM 717 O LEU A 57 -6.250 0.970 8.770 1.00 0.40 O ATOM 718 CB LEU A 57 -7.813 2.256 6.235 1.00 0.30 C ATOM 719 CG LEU A 57 -8.370 3.442 5.427 1.00 0.33 C ATOM 720 CD1 LEU A 57 -8.397 3.054 3.949 1.00 0.44 C ATOM 721 CD2 LEU A 57 -9.770 3.861 5.863 1.00 0.51 C ATOM 0 H LEU A 57 -6.516 3.941 7.434 1.00 0.32 H new ATOM 0 HA LEU A 57 -8.924 2.573 8.065 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -6.770 2.106 5.955 1.00 0.30 H new ATOM 0 HB3 LEU A 57 -8.354 1.355 5.945 1.00 0.30 H new ATOM 0 HG LEU A 57 -7.716 4.296 5.605 1.00 0.33 H new ATOM 0 HD11 LEU A 57 -8.790 3.884 3.362 1.00 0.44 H new ATOM 0 HD12 LEU A 57 -7.386 2.820 3.616 1.00 0.44 H new ATOM 0 HD13 LEU A 57 -9.035 2.181 3.814 1.00 0.44 H new ATOM 0 HD21 LEU A 57 -10.104 4.701 5.254 1.00 0.51 H new ATOM 0 HD22 LEU A 57 -10.457 3.024 5.735 1.00 0.51 H new ATOM 0 HD23 LEU A 57 -9.751 4.157 6.912 1.00 0.51 H new ATOM 733 N PRO A 58 -8.332 0.112 8.666 1.00 0.42 N ATOM 734 CA PRO A 58 -7.946 -1.191 9.199 1.00 0.48 C ATOM 735 C PRO A 58 -7.156 -1.939 8.123 1.00 0.42 C ATOM 736 O PRO A 58 -7.500 -1.851 6.942 1.00 0.39 O ATOM 737 CB PRO A 58 -9.258 -1.917 9.547 1.00 0.57 C ATOM 738 CG PRO A 58 -10.356 -0.869 9.334 1.00 0.57 C ATOM 739 CD PRO A 58 -9.731 0.030 8.275 1.00 0.46 C ATOM 0 HA PRO A 58 -7.315 -1.120 10.085 1.00 0.48 H new ATOM 0 HB2 PRO A 58 -9.411 -2.786 8.906 1.00 0.57 H new ATOM 0 HB3 PRO A 58 -9.250 -2.277 10.576 1.00 0.57 H new ATOM 0 HG2 PRO A 58 -11.288 -1.318 8.990 1.00 0.57 H new ATOM 0 HG3 PRO A 58 -10.584 -0.324 10.250 1.00 0.57 H new ATOM 0 HD2 PRO A 58 -9.842 -0.392 7.276 1.00 0.46 H new ATOM 0 HD3 PRO A 58 -10.200 1.014 8.259 1.00 0.46 H new ATOM 747 N SER A 59 -6.126 -2.706 8.482 1.00 0.45 N ATOM 748 CA SER A 59 -5.247 -3.322 7.467 1.00 0.45 C ATOM 749 C SER A 59 -5.983 -4.290 6.524 1.00 0.39 C ATOM 750 O SER A 59 -5.569 -4.433 5.378 1.00 0.45 O ATOM 751 CB SER A 59 -3.982 -3.966 8.063 1.00 0.51 C ATOM 752 OG SER A 59 -3.891 -3.827 9.477 1.00 0.81 O ATOM 0 H SER A 59 -5.876 -2.918 9.448 1.00 0.45 H new ATOM 0 HA SER A 59 -4.913 -2.485 6.854 1.00 0.45 H new ATOM 0 HB2 SER A 59 -3.968 -5.026 7.808 1.00 0.51 H new ATOM 0 HB3 SER A 59 -3.102 -3.515 7.603 1.00 0.51 H new ATOM 0 HG SER A 59 -3.074 -3.337 9.706 1.00 0.81 H new ATOM 758 N GLN A 60 -7.132 -4.841 6.936 1.00 0.38 N ATOM 759 CA GLN A 60 -8.042 -5.616 6.075 1.00 0.41 C ATOM 760 C GLN A 60 -8.566 -4.793 4.883 1.00 0.43 C ATOM 761 O GLN A 60 -8.645 -5.295 3.759 1.00 0.59 O ATOM 762 CB GLN A 60 -9.257 -6.124 6.876 1.00 0.51 C ATOM 763 CG GLN A 60 -8.909 -6.840 8.188 1.00 0.66 C ATOM 764 CD GLN A 60 -8.854 -5.908 9.381 1.00 1.35 C ATOM 765 OE1 GLN A 60 -9.863 -5.406 9.865 1.00 2.39 O ATOM 766 NE2 GLN A 60 -7.687 -5.651 9.906 1.00 2.27 N ATOM 0 H GLN A 60 -7.464 -4.760 7.897 1.00 0.38 H new ATOM 0 HA GLN A 60 -7.457 -6.454 5.696 1.00 0.41 H new ATOM 0 HB2 GLN A 60 -9.906 -5.277 7.101 1.00 0.51 H new ATOM 0 HB3 GLN A 60 -9.830 -6.806 6.247 1.00 0.51 H new ATOM 0 HG2 GLN A 60 -9.649 -7.618 8.377 1.00 0.66 H new ATOM 0 HG3 GLN A 60 -7.945 -7.337 8.079 1.00 0.66 H new ATOM 0 HE21 GLN A 60 -6.845 -6.066 9.507 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -7.617 -5.035 10.716 1.00 2.27 H new ATOM 775 N GLU A 61 -8.900 -3.520 5.118 1.00 0.39 N ATOM 776 CA GLU A 61 -9.468 -2.614 4.119 1.00 0.44 C ATOM 777 C GLU A 61 -8.401 -2.220 3.093 1.00 0.45 C ATOM 778 O GLU A 61 -8.648 -2.257 1.886 1.00 0.53 O ATOM 779 CB GLU A 61 -10.041 -1.388 4.854 1.00 0.49 C ATOM 780 CG GLU A 61 -10.942 -0.511 3.984 1.00 0.86 C ATOM 781 CD GLU A 61 -11.605 0.659 4.731 1.00 1.52 C ATOM 782 OE1 GLU A 61 -12.010 0.497 5.906 1.00 2.37 O ATOM 783 OE2 GLU A 61 -11.850 1.718 4.099 1.00 2.61 O ATOM 0 H GLU A 61 -8.779 -3.082 6.031 1.00 0.39 H new ATOM 0 HA GLU A 61 -10.271 -3.103 3.567 1.00 0.44 H new ATOM 0 HB2 GLU A 61 -10.608 -1.728 5.720 1.00 0.49 H new ATOM 0 HB3 GLU A 61 -9.216 -0.784 5.231 1.00 0.49 H new ATOM 0 HG2 GLU A 61 -10.352 -0.111 3.159 1.00 0.86 H new ATOM 0 HG3 GLU A 61 -11.721 -1.134 3.546 1.00 0.86 H new ATOM 790 N VAL A 62 -7.184 -1.927 3.570 1.00 0.37 N ATOM 791 CA VAL A 62 -6.027 -1.576 2.754 1.00 0.32 C ATOM 792 C VAL A 62 -5.528 -2.781 1.966 1.00 0.31 C ATOM 793 O VAL A 62 -5.210 -2.628 0.794 1.00 0.30 O ATOM 794 CB VAL A 62 -4.874 -1.039 3.628 1.00 0.28 C ATOM 795 CG1 VAL A 62 -3.898 -0.246 2.762 1.00 0.30 C ATOM 796 CG2 VAL A 62 -5.301 -0.121 4.775 1.00 0.31 C ATOM 0 H VAL A 62 -6.977 -1.929 4.569 1.00 0.37 H new ATOM 0 HA VAL A 62 -6.347 -0.798 2.061 1.00 0.32 H new ATOM 0 HB VAL A 62 -4.427 -1.929 4.071 1.00 0.28 H new ATOM 0 HG11 VAL A 62 -3.085 0.132 3.382 1.00 0.30 H new ATOM 0 HG12 VAL A 62 -3.491 -0.894 1.986 1.00 0.30 H new ATOM 0 HG13 VAL A 62 -4.420 0.591 2.299 1.00 0.30 H new ATOM 0 HG21 VAL A 62 -4.420 0.203 5.329 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -5.816 0.750 4.371 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -5.971 -0.661 5.443 1.00 0.31 H new ATOM 806 N GLN A 63 -5.518 -3.985 2.552 1.00 0.34 N ATOM 807 CA GLN A 63 -5.186 -5.222 1.841 1.00 0.36 C ATOM 808 C GLN A 63 -6.061 -5.385 0.599 1.00 0.37 C ATOM 809 O GLN A 63 -5.526 -5.611 -0.480 1.00 0.38 O ATOM 810 CB GLN A 63 -5.321 -6.423 2.790 1.00 0.44 C ATOM 811 CG GLN A 63 -4.965 -7.742 2.090 1.00 0.54 C ATOM 812 CD GLN A 63 -5.074 -8.927 3.045 1.00 0.77 C ATOM 813 OE1 GLN A 63 -4.280 -9.107 3.964 1.00 1.33 O ATOM 814 NE2 GLN A 63 -6.071 -9.761 2.884 1.00 1.64 N ATOM 0 H GLN A 63 -5.741 -4.127 3.537 1.00 0.34 H new ATOM 0 HA GLN A 63 -4.151 -5.171 1.503 1.00 0.36 H new ATOM 0 HB2 GLN A 63 -4.669 -6.281 3.652 1.00 0.44 H new ATOM 0 HB3 GLN A 63 -6.342 -6.475 3.168 1.00 0.44 H new ATOM 0 HG2 GLN A 63 -5.630 -7.895 1.240 1.00 0.54 H new ATOM 0 HG3 GLN A 63 -3.951 -7.684 1.695 1.00 0.54 H new ATOM 0 HE21 GLN A 63 -6.736 -9.620 2.124 1.00 1.64 H new ATOM 0 HE22 GLN A 63 -6.182 -10.551 3.519 1.00 1.64 H new ATOM 823 N ALA A 64 -7.378 -5.197 0.706 1.00 0.39 N ATOM 824 CA ALA A 64 -8.272 -5.374 -0.431 1.00 0.44 C ATOM 825 C ALA A 64 -8.178 -4.185 -1.413 1.00 0.43 C ATOM 826 O ALA A 64 -8.423 -4.361 -2.609 1.00 0.50 O ATOM 827 CB ALA A 64 -9.692 -5.572 0.110 1.00 0.50 C ATOM 0 H ALA A 64 -7.845 -4.922 1.570 1.00 0.39 H new ATOM 0 HA ALA A 64 -7.981 -6.253 -1.005 1.00 0.44 H new ATOM 0 HB1 ALA A 64 -10.383 -5.707 -0.722 1.00 0.50 H new ATOM 0 HB2 ALA A 64 -9.718 -6.454 0.750 1.00 0.50 H new ATOM 0 HB3 ALA A 64 -9.987 -4.696 0.688 1.00 0.50 H new ATOM 833 N LEU A 65 -7.777 -2.994 -0.936 1.00 0.38 N ATOM 834 CA LEU A 65 -7.488 -1.821 -1.766 1.00 0.41 C ATOM 835 C LEU A 65 -6.201 -1.957 -2.600 1.00 0.35 C ATOM 836 O LEU A 65 -6.140 -1.541 -3.760 1.00 0.40 O ATOM 837 CB LEU A 65 -7.427 -0.565 -0.888 1.00 0.45 C ATOM 838 CG LEU A 65 -8.809 -0.006 -0.505 1.00 0.58 C ATOM 839 CD1 LEU A 65 -8.644 1.083 0.552 1.00 0.68 C ATOM 840 CD2 LEU A 65 -9.531 0.590 -1.714 1.00 0.70 C ATOM 0 H LEU A 65 -7.643 -2.821 0.060 1.00 0.38 H new ATOM 0 HA LEU A 65 -8.304 -1.737 -2.484 1.00 0.41 H new ATOM 0 HB2 LEU A 65 -6.874 -0.796 0.022 1.00 0.45 H new ATOM 0 HB3 LEU A 65 -6.866 0.208 -1.414 1.00 0.45 H new ATOM 0 HG LEU A 65 -9.405 -0.832 -0.117 1.00 0.58 H new ATOM 0 HD11 LEU A 65 -9.623 1.479 0.823 1.00 0.68 H new ATOM 0 HD12 LEU A 65 -8.165 0.662 1.436 1.00 0.68 H new ATOM 0 HD13 LEU A 65 -8.026 1.887 0.153 1.00 0.68 H new ATOM 0 HD21 LEU A 65 -10.503 0.974 -1.404 1.00 0.70 H new ATOM 0 HD22 LEU A 65 -8.935 1.403 -2.130 1.00 0.70 H new ATOM 0 HD23 LEU A 65 -9.671 -0.182 -2.471 1.00 0.70 H new ATOM 852 N LEU A 66 -5.177 -2.564 -2.006 1.00 0.30 N ATOM 853 CA LEU A 66 -3.926 -2.962 -2.650 1.00 0.30 C ATOM 854 C LEU A 66 -4.164 -4.126 -3.620 1.00 0.34 C ATOM 855 O LEU A 66 -3.742 -4.055 -4.768 1.00 0.41 O ATOM 856 CB LEU A 66 -2.908 -3.336 -1.559 1.00 0.28 C ATOM 857 CG LEU A 66 -2.372 -2.136 -0.757 1.00 0.27 C ATOM 858 CD1 LEU A 66 -1.877 -2.599 0.611 1.00 0.29 C ATOM 859 CD2 LEU A 66 -1.207 -1.467 -1.492 1.00 0.30 C ATOM 0 H LEU A 66 -5.197 -2.804 -1.015 1.00 0.30 H new ATOM 0 HA LEU A 66 -3.530 -2.133 -3.237 1.00 0.30 H new ATOM 0 HB2 LEU A 66 -3.374 -4.040 -0.870 1.00 0.28 H new ATOM 0 HB3 LEU A 66 -2.068 -3.852 -2.023 1.00 0.28 H new ATOM 0 HG LEU A 66 -3.187 -1.422 -0.641 1.00 0.27 H new ATOM 0 HD11 LEU A 66 -1.500 -1.743 1.170 1.00 0.29 H new ATOM 0 HD12 LEU A 66 -2.700 -3.057 1.160 1.00 0.29 H new ATOM 0 HD13 LEU A 66 -1.077 -3.328 0.481 1.00 0.29 H new ATOM 0 HD21 LEU A 66 -0.845 -0.622 -0.907 1.00 0.30 H new ATOM 0 HD22 LEU A 66 -0.400 -2.187 -1.627 1.00 0.30 H new ATOM 0 HD23 LEU A 66 -1.546 -1.115 -2.466 1.00 0.30 H new ATOM 871 N GLU A 67 -4.917 -5.152 -3.219 1.00 0.37 N ATOM 872 CA GLU A 67 -5.353 -6.253 -4.093 1.00 0.46 C ATOM 873 C GLU A 67 -6.184 -5.767 -5.298 1.00 0.45 C ATOM 874 O GLU A 67 -6.059 -6.307 -6.402 1.00 0.50 O ATOM 875 CB GLU A 67 -6.136 -7.264 -3.235 1.00 0.61 C ATOM 876 CG GLU A 67 -5.212 -8.201 -2.435 1.00 0.53 C ATOM 877 CD GLU A 67 -5.886 -9.539 -2.115 1.00 1.06 C ATOM 878 OE1 GLU A 67 -6.967 -9.563 -1.472 1.00 2.37 O ATOM 879 OE2 GLU A 67 -5.330 -10.579 -2.545 1.00 1.98 O ATOM 0 H GLU A 67 -5.250 -5.247 -2.259 1.00 0.37 H new ATOM 0 HA GLU A 67 -4.473 -6.729 -4.526 1.00 0.46 H new ATOM 0 HB2 GLU A 67 -6.785 -6.724 -2.546 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -6.781 -7.860 -3.880 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -4.300 -8.382 -3.003 1.00 0.53 H new ATOM 0 HG3 GLU A 67 -4.917 -7.713 -1.506 1.00 0.53 H new ATOM 886 N GLY A 68 -6.950 -4.681 -5.125 1.00 0.44 N ATOM 887 CA GLY A 68 -7.680 -3.973 -6.184 1.00 0.50 C ATOM 888 C GLY A 68 -6.799 -3.297 -7.249 1.00 0.47 C ATOM 889 O GLY A 68 -7.317 -2.861 -8.275 1.00 0.59 O ATOM 0 H GLY A 68 -7.083 -4.256 -4.207 1.00 0.44 H new ATOM 0 HA2 GLY A 68 -8.344 -4.681 -6.681 1.00 0.50 H new ATOM 0 HA3 GLY A 68 -8.311 -3.214 -5.723 1.00 0.50 H new ATOM 893 N THR A 69 -5.473 -3.256 -7.069 1.00 0.39 N ATOM 894 CA THR A 69 -4.505 -2.793 -8.095 1.00 0.43 C ATOM 895 C THR A 69 -4.284 -3.839 -9.198 1.00 0.50 C ATOM 896 O THR A 69 -3.619 -3.556 -10.195 1.00 0.70 O ATOM 897 CB THR A 69 -3.171 -2.337 -7.463 1.00 0.43 C ATOM 898 OG1 THR A 69 -2.459 -3.407 -6.900 1.00 0.66 O ATOM 899 CG2 THR A 69 -3.410 -1.225 -6.447 1.00 0.70 C ATOM 0 H THR A 69 -5.027 -3.545 -6.198 1.00 0.39 H new ATOM 0 HA THR A 69 -4.950 -1.920 -8.573 1.00 0.43 H new ATOM 0 HB THR A 69 -2.548 -1.938 -8.263 1.00 0.43 H new ATOM 0 HG1 THR A 69 -3.037 -3.890 -6.273 1.00 0.66 H new ATOM 0 HG21 THR A 69 -2.458 -0.918 -6.013 1.00 0.70 H new ATOM 0 HG22 THR A 69 -3.875 -0.373 -6.943 1.00 0.70 H new ATOM 0 HG23 THR A 69 -4.068 -1.589 -5.658 1.00 0.70 H new ATOM 907 N GLY A 70 -4.880 -5.032 -9.062 1.00 0.46 N ATOM 908 CA GLY A 70 -4.880 -6.103 -10.069 1.00 0.59 C ATOM 909 C GLY A 70 -3.745 -7.119 -9.916 1.00 0.58 C ATOM 910 O GLY A 70 -3.509 -7.912 -10.830 1.00 0.82 O ATOM 0 H GLY A 70 -5.393 -5.287 -8.218 1.00 0.46 H new ATOM 0 HA2 GLY A 70 -5.832 -6.631 -10.019 1.00 0.59 H new ATOM 0 HA3 GLY A 70 -4.816 -5.653 -11.060 1.00 0.59 H new ATOM 914 N ARG A 71 -3.056 -7.076 -8.770 1.00 0.48 N ATOM 915 CA ARG A 71 -1.932 -7.922 -8.347 1.00 0.52 C ATOM 916 C ARG A 71 -2.014 -8.208 -6.848 1.00 0.52 C ATOM 917 O ARG A 71 -2.836 -7.625 -6.141 1.00 0.74 O ATOM 918 CB ARG A 71 -0.600 -7.234 -8.696 1.00 0.88 C ATOM 919 CG ARG A 71 -0.457 -5.848 -8.038 1.00 0.79 C ATOM 920 CD ARG A 71 0.869 -5.166 -8.381 1.00 0.74 C ATOM 921 NE ARG A 71 1.029 -4.944 -9.828 1.00 0.96 N ATOM 922 CZ ARG A 71 0.384 -4.085 -10.591 1.00 1.03 C ATOM 923 NH1 ARG A 71 -0.488 -3.234 -10.137 1.00 2.85 N ATOM 924 NH2 ARG A 71 0.593 -4.078 -11.866 1.00 0.94 N ATOM 0 H ARG A 71 -3.290 -6.390 -8.053 1.00 0.48 H new ATOM 0 HA ARG A 71 -1.985 -8.873 -8.877 1.00 0.52 H new ATOM 0 HB2 ARG A 71 0.227 -7.870 -8.379 1.00 0.88 H new ATOM 0 HB3 ARG A 71 -0.523 -7.128 -9.778 1.00 0.88 H new ATOM 0 HG2 ARG A 71 -1.282 -5.211 -8.358 1.00 0.79 H new ATOM 0 HG3 ARG A 71 -0.537 -5.954 -6.956 1.00 0.79 H new ATOM 0 HD2 ARG A 71 0.928 -4.210 -7.861 1.00 0.74 H new ATOM 0 HD3 ARG A 71 1.694 -5.778 -8.017 1.00 0.74 H new ATOM 0 HE ARG A 71 1.723 -5.526 -10.296 1.00 0.96 H new ATOM 0 HH11 ARG A 71 -0.704 -3.208 -9.140 1.00 2.85 H new ATOM 0 HH12 ARG A 71 -0.956 -2.593 -10.777 1.00 2.85 H new ATOM 0 HH21 ARG A 71 1.255 -4.736 -12.278 1.00 0.94 H new ATOM 0 HH22 ARG A 71 0.096 -3.415 -12.461 1.00 0.94 H new ATOM 938 N GLN A 72 -1.130 -9.070 -6.361 1.00 0.47 N ATOM 939 CA GLN A 72 -1.079 -9.464 -4.958 1.00 0.53 C ATOM 940 C GLN A 72 -0.364 -8.468 -4.032 1.00 0.50 C ATOM 941 O GLN A 72 0.588 -7.777 -4.406 1.00 0.50 O ATOM 942 CB GLN A 72 -0.483 -10.868 -4.821 1.00 0.54 C ATOM 943 CG GLN A 72 -1.459 -11.947 -5.315 1.00 2.03 C ATOM 944 CD GLN A 72 -1.197 -13.279 -4.632 1.00 2.42 C ATOM 945 OE1 GLN A 72 -0.743 -14.245 -5.234 1.00 3.34 O ATOM 946 NE2 GLN A 72 -1.461 -13.380 -3.347 1.00 2.67 N ATOM 0 H GLN A 72 -0.419 -9.521 -6.937 1.00 0.47 H new ATOM 0 HA GLN A 72 -2.114 -9.466 -4.617 1.00 0.53 H new ATOM 0 HB2 GLN A 72 0.445 -10.927 -5.390 1.00 0.54 H new ATOM 0 HB3 GLN A 72 -0.229 -11.056 -3.778 1.00 0.54 H new ATOM 0 HG2 GLN A 72 -2.484 -11.631 -5.120 1.00 2.03 H new ATOM 0 HG3 GLN A 72 -1.361 -12.063 -6.394 1.00 2.03 H new ATOM 0 HE21 GLN A 72 -1.839 -12.580 -2.840 1.00 2.67 H new ATOM 0 HE22 GLN A 72 -1.288 -14.258 -2.858 1.00 2.67 H new ATOM 955 N ALA A 73 -0.842 -8.489 -2.789 1.00 0.52 N ATOM 956 CA ALA A 73 -0.397 -7.747 -1.609 1.00 0.48 C ATOM 957 C ALA A 73 -0.548 -8.644 -0.362 1.00 0.45 C ATOM 958 O ALA A 73 -1.578 -9.305 -0.193 1.00 0.58 O ATOM 959 CB ALA A 73 -1.257 -6.484 -1.487 1.00 0.61 C ATOM 0 H ALA A 73 -1.634 -9.089 -2.559 1.00 0.52 H new ATOM 0 HA ALA A 73 0.651 -7.459 -1.697 1.00 0.48 H new ATOM 0 HB1 ALA A 73 -0.943 -5.913 -0.613 1.00 0.61 H new ATOM 0 HB2 ALA A 73 -1.136 -5.873 -2.382 1.00 0.61 H new ATOM 0 HB3 ALA A 73 -2.304 -6.766 -1.380 1.00 0.61 H new ATOM 965 N VAL A 74 0.468 -8.660 0.503 1.00 0.37 N ATOM 966 CA VAL A 74 0.551 -9.446 1.747 1.00 0.39 C ATOM 967 C VAL A 74 1.189 -8.587 2.829 1.00 0.34 C ATOM 968 O VAL A 74 2.267 -8.027 2.639 1.00 0.34 O ATOM 969 CB VAL A 74 1.388 -10.726 1.547 1.00 0.45 C ATOM 970 CG1 VAL A 74 1.644 -11.486 2.859 1.00 0.56 C ATOM 971 CG2 VAL A 74 0.679 -11.692 0.596 1.00 0.56 C ATOM 0 H VAL A 74 1.304 -8.095 0.351 1.00 0.37 H new ATOM 0 HA VAL A 74 -0.456 -9.744 2.039 1.00 0.39 H new ATOM 0 HB VAL A 74 2.341 -10.390 1.137 1.00 0.45 H new ATOM 0 HG11 VAL A 74 2.238 -12.377 2.654 1.00 0.56 H new ATOM 0 HG12 VAL A 74 2.184 -10.842 3.553 1.00 0.56 H new ATOM 0 HG13 VAL A 74 0.692 -11.779 3.302 1.00 0.56 H new ATOM 0 HG21 VAL A 74 1.286 -12.588 0.468 1.00 0.56 H new ATOM 0 HG22 VAL A 74 -0.290 -11.966 1.012 1.00 0.56 H new ATOM 0 HG23 VAL A 74 0.535 -11.210 -0.371 1.00 0.56 H new ATOM 981 N LEU A 75 0.543 -8.459 3.981 1.00 0.35 N ATOM 982 CA LEU A 75 1.019 -7.595 5.048 1.00 0.34 C ATOM 983 C LEU A 75 2.159 -8.222 5.848 1.00 0.36 C ATOM 984 O LEU A 75 2.124 -9.395 6.234 1.00 0.45 O ATOM 985 CB LEU A 75 -0.154 -7.172 5.908 1.00 0.39 C ATOM 986 CG LEU A 75 0.183 -6.080 6.945 1.00 0.42 C ATOM 987 CD1 LEU A 75 1.084 -4.937 6.476 1.00 1.15 C ATOM 988 CD2 LEU A 75 -1.090 -5.328 7.156 1.00 0.91 C ATOM 0 H LEU A 75 -0.323 -8.951 4.199 1.00 0.35 H new ATOM 0 HA LEU A 75 1.458 -6.700 4.607 1.00 0.34 H new ATOM 0 HB2 LEU A 75 -0.952 -6.809 5.261 1.00 0.39 H new ATOM 0 HB3 LEU A 75 -0.541 -8.047 6.431 1.00 0.39 H new ATOM 0 HG LEU A 75 0.657 -6.614 7.769 1.00 0.42 H new ATOM 0 HD11 LEU A 75 1.243 -4.239 7.298 1.00 1.15 H new ATOM 0 HD12 LEU A 75 2.043 -5.340 6.151 1.00 1.15 H new ATOM 0 HD13 LEU A 75 0.608 -4.416 5.645 1.00 1.15 H new ATOM 0 HD21 LEU A 75 -0.927 -4.533 7.884 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -1.417 -4.894 6.211 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -1.857 -6.008 7.527 1.00 0.91 H new ATOM 1000 N LYS A 76 3.157 -7.389 6.131 1.00 0.31 N ATOM 1001 CA LYS A 76 4.349 -7.765 6.900 1.00 0.33 C ATOM 1002 C LYS A 76 4.342 -7.226 8.333 1.00 0.37 C ATOM 1003 O LYS A 76 4.756 -7.942 9.247 1.00 0.45 O ATOM 1004 CB LYS A 76 5.614 -7.418 6.099 1.00 0.32 C ATOM 1005 CG LYS A 76 5.735 -8.180 4.761 1.00 0.39 C ATOM 1006 CD LYS A 76 5.819 -9.703 4.926 1.00 0.54 C ATOM 1007 CE LYS A 76 6.006 -10.396 3.573 1.00 1.87 C ATOM 1008 NZ LYS A 76 6.298 -11.839 3.738 1.00 1.96 N ATOM 0 H LYS A 76 3.164 -6.415 5.829 1.00 0.31 H new ATOM 0 HA LYS A 76 4.341 -8.846 7.042 1.00 0.33 H new ATOM 0 HB2 LYS A 76 5.623 -6.347 5.898 1.00 0.32 H new ATOM 0 HB3 LYS A 76 6.490 -7.635 6.710 1.00 0.32 H new ATOM 0 HG2 LYS A 76 4.876 -7.938 4.136 1.00 0.39 H new ATOM 0 HG3 LYS A 76 6.622 -7.831 4.233 1.00 0.39 H new ATOM 0 HD2 LYS A 76 6.650 -9.955 5.585 1.00 0.54 H new ATOM 0 HD3 LYS A 76 4.911 -10.071 5.404 1.00 0.54 H new ATOM 0 HE2 LYS A 76 5.105 -10.272 2.972 1.00 1.87 H new ATOM 0 HE3 LYS A 76 6.821 -9.919 3.028 1.00 1.87 H new ATOM 0 HZ1 LYS A 76 6.419 -12.278 2.803 1.00 1.96 H new ATOM 0 HZ2 LYS A 76 7.171 -11.956 4.291 1.00 1.96 H new ATOM 0 HZ3 LYS A 76 5.509 -12.298 4.236 1.00 1.96 H new ATOM 1022 N GLY A 77 3.758 -6.048 8.549 1.00 0.34 N ATOM 1023 CA GLY A 77 3.299 -5.576 9.850 1.00 0.37 C ATOM 1024 C GLY A 77 3.012 -4.076 9.889 1.00 0.42 C ATOM 1025 O GLY A 77 2.909 -3.400 8.862 1.00 0.45 O ATOM 0 H GLY A 77 3.587 -5.377 7.800 1.00 0.34 H new ATOM 0 HA2 GLY A 77 2.394 -6.118 10.126 1.00 0.37 H new ATOM 0 HA3 GLY A 77 4.053 -5.813 10.600 1.00 0.37 H new ATOM 1029 N MET A 78 2.856 -3.577 11.108 1.00 0.63 N ATOM 1030 CA MET A 78 2.464 -2.215 11.441 1.00 0.82 C ATOM 1031 C MET A 78 3.688 -1.414 11.905 1.00 1.02 C ATOM 1032 O MET A 78 3.954 -1.299 13.105 1.00 1.93 O ATOM 1033 CB MET A 78 1.361 -2.258 12.511 1.00 1.01 C ATOM 1034 CG MET A 78 0.072 -2.920 12.010 1.00 1.07 C ATOM 1035 SD MET A 78 0.076 -4.735 12.059 1.00 1.35 S ATOM 1036 CE MET A 78 -1.423 -5.017 11.100 1.00 1.37 C ATOM 0 H MET A 78 3.009 -4.147 11.940 1.00 0.63 H new ATOM 0 HA MET A 78 2.065 -1.710 10.561 1.00 0.82 H new ATOM 0 HB2 MET A 78 1.728 -2.801 13.382 1.00 1.01 H new ATOM 0 HB3 MET A 78 1.139 -1.242 12.838 1.00 1.01 H new ATOM 0 HG2 MET A 78 -0.763 -2.557 12.610 1.00 1.07 H new ATOM 0 HG3 MET A 78 -0.109 -2.599 10.984 1.00 1.07 H new ATOM 0 HE1 MET A 78 -1.573 -6.088 10.966 1.00 1.37 H new ATOM 0 HE2 MET A 78 -2.278 -4.594 11.628 1.00 1.37 H new ATOM 0 HE3 MET A 78 -1.326 -4.540 10.125 1.00 1.37 H new ATOM 1046 N GLY A 79 4.441 -0.877 10.944 1.00 0.86 N ATOM 1047 CA GLY A 79 5.524 0.081 11.168 1.00 0.94 C ATOM 1048 C GLY A 79 6.768 -0.449 11.899 1.00 1.93 C ATOM 1049 O GLY A 79 6.934 -1.647 12.158 1.00 3.53 O ATOM 0 H GLY A 79 4.310 -1.104 9.958 1.00 0.86 H new ATOM 0 HA2 GLY A 79 5.838 0.473 10.201 1.00 0.94 H new ATOM 0 HA3 GLY A 79 5.125 0.920 11.738 1.00 0.94 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.603 -3.265 -14.220 1.00 0.80 CU