USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot 114:sc= 0.29 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.271 USER MOD Set 2.1: A 7 THR OG1 : rot -62:sc= 0.0793 USER MOD Set 2.2: A 9 THR OG1 : rot -8:sc= 0.00287 USER MOD Single : A 1 MET CE :methyl -107:sc= -0.0515 (180deg=-0.435) USER MOD Single : A 1 MET N :NH3+ 170:sc= 2.47 (180deg=2.17) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.11) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0103 USER MOD Single : A 25 ASN : amide:sc= 0.342 K(o=0.34,f=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.29 (180deg=0.935) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0587) USER MOD Single : A 31 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.241 K(o=0.24,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 1.09 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.375 K(o=0.38,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.214 -6.521 -4.274 1.00 9.67 N ATOM 2 CA MET A 1 12.050 -6.397 -2.831 1.00 10.38 C ATOM 3 C MET A 1 10.658 -6.785 -2.308 1.00 9.62 C ATOM 4 O MET A 1 9.639 -6.500 -2.890 1.00 9.62 O ATOM 5 CB MET A 1 12.410 -4.899 -2.436 1.00 13.77 C ATOM 6 CG MET A 1 12.530 -4.622 -0.957 1.00 16.29 C ATOM 7 SD MET A 1 12.746 -2.845 -0.597 1.00 17.17 S ATOM 8 CE MET A 1 11.000 -2.375 -0.862 1.00 16.11 C ATOM 0 H1 MET A 1 13.113 -6.084 -4.560 1.00 9.67 H new ATOM 0 H2 MET A 1 12.219 -7.527 -4.538 1.00 9.67 H new ATOM 0 H3 MET A 1 11.427 -6.041 -4.755 1.00 9.67 H new ATOM 0 HA MET A 1 12.721 -7.112 -2.356 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.353 -4.633 -2.914 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.646 -4.240 -2.849 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.638 -4.987 -0.448 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.377 -5.177 -0.554 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.909 -1.827 -1.800 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.384 -3.273 -0.906 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.664 -1.744 -0.039 1.00 16.11 H new ATOM 20 N GLN A 2 10.551 -7.420 -1.103 1.00 9.27 N ATOM 21 CA GLN A 2 9.297 -8.070 -0.662 1.00 9.07 C ATOM 22 C GLN A 2 8.603 -7.100 0.273 1.00 8.72 C ATOM 23 O GLN A 2 9.324 -6.511 1.093 1.00 8.22 O ATOM 24 CB GLN A 2 9.675 -9.368 0.144 1.00 14.46 C ATOM 25 CG GLN A 2 8.578 -10.315 0.609 1.00 17.01 C ATOM 26 CD GLN A 2 9.130 -11.700 0.933 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.645 -11.982 2.041 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.022 -12.649 -0.028 1.00 19.49 N ATOM 0 H GLN A 2 11.316 -7.490 -0.432 1.00 9.27 H new ATOM 0 HA GLN A 2 8.657 -8.329 -1.506 1.00 9.07 H new ATOM 0 HB2 GLN A 2 10.363 -9.945 -0.473 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.229 -9.052 1.028 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.090 -9.902 1.492 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.816 -10.399 -0.166 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.603 -12.417 -0.929 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.360 -13.595 0.149 1.00 19.49 H new ATOM 37 N ILE A 3 7.288 -6.925 0.151 1.00 5.87 N ATOM 38 CA ILE A 3 6.425 -6.215 1.080 1.00 5.07 C ATOM 39 C ILE A 3 5.131 -6.951 1.347 1.00 4.01 C ATOM 40 O ILE A 3 4.791 -7.869 0.647 1.00 4.61 O ATOM 41 CB ILE A 3 6.126 -4.766 0.694 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.696 -4.718 -0.796 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.312 -3.759 0.949 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.069 -3.441 -1.376 1.00 10.83 C ATOM 0 H ILE A 3 6.772 -7.298 -0.646 1.00 5.87 H new ATOM 0 HA ILE A 3 7.012 -6.180 1.998 1.00 5.07 H new ATOM 0 HB ILE A 3 5.321 -4.432 1.349 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.578 -4.947 -1.395 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.984 -5.529 -0.954 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.010 -2.757 0.646 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.566 -3.757 2.009 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.182 -4.067 0.368 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.834 -3.597 -2.429 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.155 -3.205 -0.832 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.772 -2.614 -1.279 1.00 10.83 H new ATOM 56 N PHE A 4 4.472 -6.673 2.530 1.00 4.55 N ATOM 57 CA PHE A 4 3.372 -7.484 2.980 1.00 4.68 C ATOM 58 C PHE A 4 2.235 -6.545 3.270 1.00 5.30 C ATOM 59 O PHE A 4 2.363 -5.597 4.020 1.00 5.58 O ATOM 60 CB PHE A 4 3.820 -8.074 4.381 1.00 4.83 C ATOM 61 CG PHE A 4 4.873 -9.151 4.264 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.598 -10.302 3.617 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.092 -9.057 4.921 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.493 -11.397 3.555 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.033 -10.122 4.997 1.00 10.61 C ATOM 66 CZ PHE A 4 6.708 -11.271 4.255 1.00 8.90 C ATOM 0 H PHE A 4 4.710 -5.898 3.150 1.00 4.55 H new ATOM 0 HA PHE A 4 3.098 -8.254 2.259 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.204 -7.265 5.002 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.948 -8.482 4.892 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.644 -10.393 3.120 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.341 -8.122 5.402 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.254 -12.289 2.996 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.936 -10.052 5.585 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.416 -12.086 4.221 1.00 8.90 H new ATOM 76 N VAL A 5 1.055 -6.769 2.608 1.00 4.44 N ATOM 77 CA VAL A 5 -0.187 -6.098 2.743 1.00 3.87 C ATOM 78 C VAL A 5 -1.047 -6.891 3.591 1.00 4.93 C ATOM 79 O VAL A 5 -1.501 -7.947 3.185 1.00 6.84 O ATOM 80 CB VAL A 5 -0.849 -5.912 1.421 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.923 -4.851 1.554 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.263 -5.599 0.360 1.00 9.13 C ATOM 0 H VAL A 5 0.994 -7.507 1.907 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.008 -5.114 3.177 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.363 -6.809 1.076 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.414 -4.707 0.591 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.659 -5.169 2.293 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.470 -3.913 1.874 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.197 -5.458 -0.618 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.793 -4.690 0.646 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.966 -6.430 0.314 1.00 9.13 H new ATOM 92 N LYS A 6 -1.265 -6.462 4.835 1.00 6.04 N ATOM 93 CA LYS A 6 -2.094 -7.176 5.687 1.00 6.12 C ATOM 94 C LYS A 6 -3.487 -6.477 5.753 1.00 6.57 C ATOM 95 O LYS A 6 -3.650 -5.283 6.089 1.00 5.76 O ATOM 96 CB LYS A 6 -1.429 -7.309 7.107 1.00 7.45 C ATOM 97 CG LYS A 6 -2.386 -8.097 8.006 1.00 11.12 C ATOM 98 CD LYS A 6 -1.790 -8.452 9.319 1.00 14.54 C ATOM 99 CE LYS A 6 -1.553 -7.206 10.233 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.645 -7.567 11.292 1.00 20.55 N ATOM 0 H LYS A 6 -0.859 -5.617 5.236 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.241 -8.187 5.307 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.469 -7.820 7.032 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.233 -6.324 7.530 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.289 -7.508 8.170 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.689 -9.009 7.493 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.446 -9.154 9.833 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.841 -8.963 9.156 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.142 -6.383 9.648 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.499 -6.859 10.650 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.482 -6.743 11.905 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.056 -8.340 11.853 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.259 -7.879 10.883 1.00 20.55 H new ATOM 114 N THR A 7 -4.593 -7.215 5.384 1.00 7.41 N ATOM 115 CA THR A 7 -5.920 -6.691 5.210 1.00 7.48 C ATOM 116 C THR A 7 -6.690 -6.295 6.503 1.00 8.75 C ATOM 117 O THR A 7 -6.207 -6.594 7.587 1.00 8.58 O ATOM 118 CB THR A 7 -6.754 -7.535 4.229 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.026 -8.849 4.803 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.898 -7.786 3.020 1.00 9.17 C ATOM 0 H THR A 7 -4.539 -8.218 5.204 1.00 7.41 H new ATOM 0 HA THR A 7 -5.753 -5.719 4.745 1.00 7.48 H new ATOM 0 HB THR A 7 -7.684 -7.013 4.002 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.181 -9.325 4.946 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.455 -8.383 2.298 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.620 -6.834 2.567 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.997 -8.323 3.317 1.00 9.17 H new ATOM 128 N LEU A 8 -7.862 -5.628 6.451 1.00 9.84 N ATOM 129 CA LEU A 8 -8.595 -5.328 7.623 1.00 14.15 C ATOM 130 C LEU A 8 -9.132 -6.537 8.377 1.00 17.37 C ATOM 131 O LEU A 8 -9.478 -6.428 9.560 1.00 17.01 O ATOM 132 CB LEU A 8 -9.885 -4.456 7.249 1.00 16.63 C ATOM 133 CG LEU A 8 -9.524 -3.071 6.773 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.745 -2.452 6.134 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.170 -2.214 8.030 1.00 18.59 C ATOM 0 H LEU A 8 -8.294 -5.300 5.587 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.877 -4.810 8.259 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.453 -4.968 6.472 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.534 -4.380 8.121 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.694 -3.112 6.068 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.503 -1.449 5.783 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.064 -3.064 5.291 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.550 -2.396 6.867 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.904 -1.204 7.719 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.031 -2.173 8.697 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.328 -2.666 8.553 1.00 18.59 H new ATOM 147 N THR A 9 -9.231 -7.717 7.723 1.00 18.33 N ATOM 148 CA THR A 9 -9.624 -9.034 8.289 1.00 19.24 C ATOM 149 C THR A 9 -8.472 -9.875 8.692 1.00 19.48 C ATOM 150 O THR A 9 -8.591 -10.996 9.082 1.00 23.14 O ATOM 151 CB THR A 9 -10.370 -9.990 7.309 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.738 -10.235 6.024 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.711 -9.367 6.909 1.00 19.70 C ATOM 0 H THR A 9 -9.027 -7.782 6.726 1.00 18.33 H new ATOM 0 HA THR A 9 -10.255 -8.704 9.115 1.00 19.24 H new ATOM 0 HB THR A 9 -10.412 -10.921 7.874 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.969 -9.637 5.918 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.233 -10.035 6.224 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.320 -9.212 7.799 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.536 -8.409 6.419 1.00 19.70 H new ATOM 161 N GLY A 10 -7.271 -9.334 8.602 1.00 19.43 N ATOM 162 CA GLY A 10 -6.055 -9.984 9.073 1.00 18.74 C ATOM 163 C GLY A 10 -5.373 -10.812 8.134 1.00 17.62 C ATOM 164 O GLY A 10 -4.404 -11.489 8.509 1.00 19.74 O ATOM 0 H GLY A 10 -7.107 -8.414 8.193 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.364 -9.212 9.412 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.307 -10.590 9.943 1.00 18.74 H new ATOM 168 N LYS A 11 -5.788 -10.929 6.883 1.00 13.56 N ATOM 169 CA LYS A 11 -5.037 -11.754 5.932 1.00 11.91 C ATOM 170 C LYS A 11 -3.804 -11.025 5.372 1.00 10.18 C ATOM 171 O LYS A 11 -3.999 -9.893 4.983 1.00 9.10 O ATOM 172 CB LYS A 11 -5.871 -12.303 4.773 1.00 13.43 C ATOM 173 CG LYS A 11 -5.178 -13.057 3.636 1.00 16.69 C ATOM 174 CD LYS A 11 -6.042 -13.154 2.398 1.00 17.92 C ATOM 175 CE LYS A 11 -6.338 -11.857 1.606 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.101 -12.067 0.306 1.00 21.93 N ATOM 0 H LYS A 11 -6.620 -10.478 6.502 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.715 -12.608 6.528 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.621 -12.970 5.198 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.406 -11.463 4.329 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.244 -12.553 3.386 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -4.918 -14.060 3.974 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.567 -13.859 1.716 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.997 -13.589 2.692 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.910 -11.181 2.242 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.394 -11.361 1.381 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.873 -11.300 -0.358 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.830 -12.980 -0.112 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.123 -12.065 0.499 1.00 21.93 H new ATOM 190 N THR A 12 -2.605 -11.595 5.359 1.00 9.63 N ATOM 191 CA THR A 12 -1.382 -10.969 4.762 1.00 9.85 C ATOM 192 C THR A 12 -1.192 -11.524 3.381 1.00 11.66 C ATOM 193 O THR A 12 -1.021 -12.710 3.177 1.00 12.33 O ATOM 194 CB THR A 12 -0.057 -11.189 5.548 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.214 -10.852 6.910 1.00 10.91 O ATOM 196 CG2 THR A 12 1.163 -10.407 4.979 1.00 9.63 C ATOM 0 H THR A 12 -2.429 -12.516 5.762 1.00 9.63 H new ATOM 0 HA THR A 12 -1.569 -9.895 4.781 1.00 9.85 H new ATOM 0 HB THR A 12 0.159 -12.251 5.435 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.631 -11.000 7.383 1.00 10.91 H new ATOM 0 HG21 THR A 12 2.044 -10.617 5.585 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.347 -10.718 3.951 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.953 -9.338 5.002 1.00 9.63 H new ATOM 204 N ILE A 13 -1.063 -10.637 2.355 1.00 10.42 N ATOM 205 CA ILE A 13 -0.547 -11.054 1.060 1.00 11.84 C ATOM 206 C ILE A 13 0.796 -10.396 0.767 1.00 10.55 C ATOM 207 O ILE A 13 1.140 -9.279 1.178 1.00 11.92 O ATOM 208 CB ILE A 13 -1.493 -10.764 -0.109 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.867 -9.242 -0.220 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.733 -11.639 0.091 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.961 -8.940 -1.214 1.00 16.46 C ATOM 0 H ILE A 13 -1.310 -9.649 2.416 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.438 -12.136 1.138 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.000 -11.002 -1.052 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.176 -8.884 0.762 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.975 -8.681 -0.498 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.437 -11.464 -0.723 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.440 -12.689 0.098 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.206 -11.388 1.040 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.155 -7.868 -1.226 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.650 -9.264 -2.207 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.869 -9.470 -0.928 1.00 16.46 H new ATOM 223 N THR A 14 1.628 -11.193 0.173 1.00 9.39 N ATOM 224 CA THR A 14 3.039 -10.884 -0.176 1.00 9.63 C ATOM 225 C THR A 14 3.029 -10.194 -1.601 1.00 11.20 C ATOM 226 O THR A 14 2.469 -10.766 -2.532 1.00 11.63 O ATOM 227 CB THR A 14 3.916 -12.145 -0.261 1.00 10.38 C ATOM 228 OG1 THR A 14 3.690 -12.930 0.912 1.00 16.30 O ATOM 229 CG2 THR A 14 5.385 -11.807 -0.280 1.00 11.66 C ATOM 0 H THR A 14 1.357 -12.135 -0.110 1.00 9.39 H new ATOM 0 HA THR A 14 3.456 -10.245 0.602 1.00 9.63 H new ATOM 0 HB THR A 14 3.654 -12.671 -1.179 1.00 10.38 H new ATOM 0 HG1 THR A 14 4.240 -13.740 0.875 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.969 -12.725 -0.341 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.603 -11.181 -1.145 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.647 -11.270 0.632 1.00 11.66 H new ATOM 237 N LEU A 15 3.782 -9.085 -1.759 1.00 8.29 N ATOM 238 CA LEU A 15 3.990 -8.468 -3.049 1.00 9.03 C ATOM 239 C LEU A 15 5.499 -8.370 -3.106 1.00 8.59 C ATOM 240 O LEU A 15 6.215 -8.181 -2.123 1.00 7.79 O ATOM 241 CB LEU A 15 3.284 -7.081 -3.213 1.00 11.08 C ATOM 242 CG LEU A 15 1.719 -7.095 -3.174 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.172 -5.641 -3.065 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.105 -7.863 -4.388 1.00 15.27 C ATOM 0 H LEU A 15 4.252 -8.609 -0.990 1.00 8.29 H new ATOM 0 HA LEU A 15 3.552 -9.039 -3.867 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.641 -6.419 -2.424 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.600 -6.646 -4.161 1.00 11.08 H new ATOM 0 HG LEU A 15 1.409 -7.643 -2.284 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.083 -5.663 -3.039 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.548 -5.178 -2.152 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.502 -5.062 -3.928 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.017 -7.846 -4.317 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.416 -7.384 -5.316 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.453 -8.896 -4.379 1.00 15.27 H new ATOM 256 N GLU A 16 6.002 -8.471 -4.321 1.00 11.04 N ATOM 257 CA GLU A 16 7.386 -8.334 -4.678 1.00 11.50 C ATOM 258 C GLU A 16 7.516 -7.173 -5.626 1.00 10.13 C ATOM 259 O GLU A 16 6.930 -7.196 -6.759 1.00 9.83 O ATOM 260 CB GLU A 16 7.790 -9.655 -5.325 1.00 17.22 C ATOM 261 CG GLU A 16 9.231 -9.627 -5.891 1.00 23.33 C ATOM 262 CD GLU A 16 10.379 -9.739 -4.844 1.00 26.99 C ATOM 263 OE1 GLU A 16 10.375 -10.701 -4.046 1.00 28.86 O ATOM 264 OE2 GLU A 16 11.286 -8.867 -4.825 1.00 28.90 O ATOM 0 H GLU A 16 5.411 -8.663 -5.130 1.00 11.04 H new ATOM 0 HA GLU A 16 8.034 -8.133 -3.825 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.708 -10.455 -4.589 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.093 -9.889 -6.129 1.00 17.22 H new ATOM 0 HG2 GLU A 16 9.336 -10.445 -6.604 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.363 -8.699 -6.448 1.00 23.33 H new ATOM 271 N VAL A 17 8.152 -6.061 -5.203 1.00 8.99 N ATOM 272 CA VAL A 17 8.346 -4.846 -6.051 1.00 8.85 C ATOM 273 C VAL A 17 9.843 -4.397 -6.105 1.00 8.04 C ATOM 274 O VAL A 17 10.615 -4.566 -5.159 1.00 8.99 O ATOM 275 CB VAL A 17 7.509 -3.604 -5.617 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.006 -3.933 -5.823 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.841 -3.098 -4.241 1.00 10.54 C ATOM 0 H VAL A 17 8.548 -5.971 -4.267 1.00 8.99 H new ATOM 0 HA VAL A 17 7.995 -5.172 -7.030 1.00 8.85 H new ATOM 0 HB VAL A 17 7.774 -2.758 -6.252 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.402 -3.076 -5.525 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.823 -4.158 -6.874 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.736 -4.796 -5.215 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.218 -2.234 -4.011 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.655 -3.884 -3.509 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.891 -2.809 -4.203 1.00 10.54 H new ATOM 287 N GLU A 18 10.234 -3.642 -7.170 1.00 7.29 N ATOM 288 CA GLU A 18 11.395 -2.779 -7.276 1.00 7.08 C ATOM 289 C GLU A 18 11.167 -1.628 -6.243 1.00 6.45 C ATOM 290 O GLU A 18 10.045 -1.055 -6.160 1.00 5.28 O ATOM 291 CB GLU A 18 11.662 -2.169 -8.612 1.00 10.28 C ATOM 292 CG GLU A 18 11.598 -3.164 -9.794 1.00 12.65 C ATOM 293 CD GLU A 18 12.500 -4.397 -9.772 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.732 -4.162 -9.586 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.025 -5.537 -9.926 1.00 18.17 O ATOM 0 H GLU A 18 9.688 -3.637 -8.031 1.00 7.29 H new ATOM 0 HA GLU A 18 12.268 -3.405 -7.093 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.939 -1.372 -8.785 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.649 -1.706 -8.596 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.568 -3.511 -9.877 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.822 -2.608 -10.705 1.00 12.65 H new ATOM 302 N PRO A 19 12.201 -1.178 -5.486 1.00 7.24 N ATOM 303 CA PRO A 19 12.011 -0.075 -4.593 1.00 7.07 C ATOM 304 C PRO A 19 12.010 1.245 -5.378 1.00 6.65 C ATOM 305 O PRO A 19 11.637 2.301 -4.826 1.00 6.37 O ATOM 306 CB PRO A 19 13.286 -0.138 -3.731 1.00 7.61 C ATOM 307 CG PRO A 19 14.346 -0.872 -4.583 1.00 8.16 C ATOM 308 CD PRO A 19 13.516 -1.869 -5.407 1.00 7.49 C ATOM 0 HA PRO A 19 11.077 -0.122 -4.033 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.626 0.863 -3.464 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.099 -0.670 -2.798 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.895 -0.181 -5.223 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.081 -1.381 -3.959 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.947 -2.043 -6.393 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.439 -2.840 -4.917 1.00 7.49 H new ATOM 316 N SER A 20 12.266 1.152 -6.697 1.00 6.80 N ATOM 317 CA SER A 20 12.254 2.239 -7.709 1.00 6.28 C ATOM 318 C SER A 20 10.897 2.302 -8.447 1.00 8.45 C ATOM 319 O SER A 20 10.736 2.943 -9.497 1.00 7.26 O ATOM 320 CB SER A 20 13.273 2.058 -8.789 1.00 8.57 C ATOM 321 OG SER A 20 14.536 1.682 -8.178 1.00 11.13 O ATOM 0 H SER A 20 12.504 0.254 -7.119 1.00 6.80 H new ATOM 0 HA SER A 20 12.463 3.141 -7.134 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.948 1.289 -9.490 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.388 2.980 -9.358 1.00 8.57 H new ATOM 0 HG SER A 20 15.213 1.558 -8.876 1.00 11.13 H new ATOM 327 N ASP A 21 9.904 1.631 -7.926 1.00 7.50 N ATOM 328 CA ASP A 21 8.531 1.620 -8.507 1.00 7.70 C ATOM 329 C ASP A 21 7.763 2.424 -7.491 1.00 7.08 C ATOM 330 O ASP A 21 8.330 2.809 -6.459 1.00 8.11 O ATOM 331 CB ASP A 21 8.105 0.145 -8.695 1.00 11.00 C ATOM 332 CG ASP A 21 6.945 -0.038 -9.661 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.395 0.981 -10.103 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.712 -1.185 -10.047 1.00 14.36 O ATOM 0 H ASP A 21 9.996 1.065 -7.083 1.00 7.50 H new ATOM 0 HA ASP A 21 8.389 2.053 -9.497 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.960 -0.428 -9.055 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.828 -0.270 -7.726 1.00 11.00 H new ATOM 339 N THR A 22 6.465 2.766 -7.707 1.00 5.37 N ATOM 340 CA THR A 22 5.771 3.820 -6.950 1.00 6.01 C ATOM 341 C THR A 22 4.679 3.235 -6.048 1.00 8.01 C ATOM 342 O THR A 22 4.246 2.097 -6.269 1.00 8.11 O ATOM 343 CB THR A 22 5.095 4.956 -7.725 1.00 8.92 C ATOM 344 OG1 THR A 22 4.121 4.452 -8.662 1.00 10.22 O ATOM 345 CG2 THR A 22 6.257 5.652 -8.476 1.00 9.65 C ATOM 0 H THR A 22 5.880 2.315 -8.410 1.00 5.37 H new ATOM 0 HA THR A 22 6.614 4.261 -6.417 1.00 6.01 H new ATOM 0 HB THR A 22 4.552 5.631 -7.063 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.824 5.179 -9.248 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.865 6.484 -9.062 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.984 6.026 -7.755 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.741 4.936 -9.141 1.00 9.65 H new ATOM 353 N ILE A 23 4.202 3.983 -5.074 1.00 8.32 N ATOM 354 CA ILE A 23 3.103 3.671 -4.174 1.00 9.92 C ATOM 355 C ILE A 23 1.793 3.546 -4.893 1.00 10.01 C ATOM 356 O ILE A 23 0.901 2.728 -4.542 1.00 8.71 O ATOM 357 CB ILE A 23 3.140 4.684 -3.053 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.482 4.542 -2.247 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.880 4.415 -2.219 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.817 3.159 -1.686 1.00 12.30 C ATOM 0 H ILE A 23 4.603 4.899 -4.873 1.00 8.32 H new ATOM 0 HA ILE A 23 3.218 2.681 -3.733 1.00 9.92 H new ATOM 0 HB ILE A 23 3.131 5.717 -3.400 1.00 10.78 H new ATOM 0 HG12 ILE A 23 5.301 4.850 -2.897 1.00 11.38 H new ATOM 0 HG13 ILE A 23 4.453 5.246 -1.415 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.840 5.115 -1.385 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.996 4.544 -2.844 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.908 3.395 -1.836 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.767 3.203 -1.154 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.031 2.845 -1.000 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.892 2.443 -2.504 1.00 12.30 H new ATOM 372 N GLU A 24 1.648 4.275 -5.966 1.00 9.54 N ATOM 373 CA GLU A 24 0.599 4.232 -6.906 1.00 11.81 C ATOM 374 C GLU A 24 0.537 2.890 -7.566 1.00 11.14 C ATOM 375 O GLU A 24 -0.529 2.312 -7.622 1.00 10.62 O ATOM 376 CB GLU A 24 0.790 5.286 -7.980 1.00 19.24 C ATOM 377 CG GLU A 24 -0.494 5.337 -8.852 1.00 27.76 C ATOM 378 CD GLU A 24 -0.333 6.350 -9.958 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.604 6.139 -10.776 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.132 7.311 -10.026 1.00 34.80 O ATOM 0 H GLU A 24 2.341 4.981 -6.214 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.329 4.424 -6.367 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.979 6.259 -7.527 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.657 5.047 -8.596 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.693 4.353 -9.276 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.353 5.597 -8.233 1.00 27.76 H new ATOM 387 N ASN A 25 1.644 2.302 -8.040 1.00 9.43 N ATOM 388 CA ASN A 25 1.595 0.933 -8.632 1.00 10.96 C ATOM 389 C ASN A 25 1.291 -0.145 -7.583 1.00 9.68 C ATOM 390 O ASN A 25 0.494 -1.048 -7.790 1.00 9.33 O ATOM 391 CB ASN A 25 2.942 0.479 -9.296 1.00 16.78 C ATOM 392 CG ASN A 25 2.759 -0.444 -10.426 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.683 -0.555 -11.048 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.759 -1.333 -10.657 1.00 24.70 N ATOM 0 H ASN A 25 2.570 2.730 -8.032 1.00 9.43 H new ATOM 0 HA ASN A 25 0.806 1.018 -9.380 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.482 1.360 -9.641 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.565 -0.002 -8.542 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.627 -2.084 -11.335 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.642 -1.250 -10.153 1.00 24.70 H new ATOM 401 N VAL A 26 1.919 0.018 -6.422 1.00 6.52 N ATOM 402 CA VAL A 26 1.522 -0.793 -5.260 1.00 5.53 C ATOM 403 C VAL A 26 0.013 -0.806 -4.917 1.00 4.42 C ATOM 404 O VAL A 26 -0.562 -1.891 -4.677 1.00 3.40 O ATOM 405 CB VAL A 26 2.387 -0.577 -4.108 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.041 -1.352 -2.800 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.848 -0.909 -4.504 1.00 8.12 C ATOM 0 H VAL A 26 2.679 0.678 -6.256 1.00 6.52 H new ATOM 0 HA VAL A 26 1.687 -1.818 -5.591 1.00 5.53 H new ATOM 0 HB VAL A 26 2.232 0.472 -3.855 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.764 -1.098 -2.025 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.040 -1.076 -2.467 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.076 -2.424 -2.992 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.502 -0.750 -3.647 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.912 -1.950 -4.821 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.159 -0.261 -5.323 1.00 8.12 H new ATOM 417 N LYS A 27 -0.665 0.322 -4.977 1.00 2.64 N ATOM 418 CA LYS A 27 -2.147 0.385 -4.805 1.00 4.14 C ATOM 419 C LYS A 27 -2.877 -0.179 -5.951 1.00 5.58 C ATOM 420 O LYS A 27 -3.885 -0.831 -5.750 1.00 4.11 O ATOM 421 CB LYS A 27 -2.637 1.819 -4.358 1.00 3.97 C ATOM 422 CG LYS A 27 -2.050 2.212 -3.042 1.00 7.45 C ATOM 423 CD LYS A 27 -2.935 3.164 -2.267 1.00 9.02 C ATOM 424 CE LYS A 27 -3.000 4.602 -2.870 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.758 5.442 -1.903 1.00 15.47 N ATOM 0 H LYS A 27 -0.230 1.229 -5.144 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.400 -0.271 -3.973 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.359 2.552 -5.115 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.725 1.828 -4.290 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -1.876 1.317 -2.445 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.079 2.679 -3.207 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.944 2.753 -2.224 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.573 3.227 -1.241 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.998 5.001 -3.026 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.493 4.591 -3.842 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.299 6.164 -2.420 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.411 4.842 -1.360 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.094 5.908 -1.252 1.00 15.47 H new ATOM 439 N ALA A 28 -2.379 -0.042 -7.222 1.00 6.61 N ATOM 440 CA ALA A 28 -2.991 -0.610 -8.413 1.00 7.74 C ATOM 441 C ALA A 28 -2.917 -2.128 -8.402 1.00 9.17 C ATOM 442 O ALA A 28 -3.840 -2.785 -8.883 1.00 11.45 O ATOM 443 CB ALA A 28 -2.199 -0.096 -9.558 1.00 7.68 C ATOM 0 H ALA A 28 -1.526 0.480 -7.422 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.044 -0.335 -8.470 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.609 -0.488 -10.489 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.244 0.993 -9.572 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.162 -0.415 -9.456 1.00 7.68 H new ATOM 449 N LYS A 29 -1.817 -2.722 -7.879 1.00 8.96 N ATOM 450 CA LYS A 29 -1.732 -4.156 -7.715 1.00 7.90 C ATOM 451 C LYS A 29 -2.643 -4.646 -6.653 1.00 6.92 C ATOM 452 O LYS A 29 -3.239 -5.712 -6.753 1.00 6.87 O ATOM 453 CB LYS A 29 -0.241 -4.405 -7.405 1.00 10.28 C ATOM 454 CG LYS A 29 0.814 -4.361 -8.526 1.00 14.94 C ATOM 455 CD LYS A 29 2.254 -4.396 -8.041 1.00 19.69 C ATOM 456 CE LYS A 29 2.688 -5.849 -7.709 1.00 22.63 C ATOM 457 NZ LYS A 29 2.897 -6.706 -8.928 1.00 24.98 N ATOM 0 H LYS A 29 -0.989 -2.213 -7.570 1.00 8.96 H new ATOM 0 HA LYS A 29 -2.054 -4.706 -8.599 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.057 -3.672 -6.655 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.171 -5.387 -6.937 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.649 -5.205 -9.195 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.664 -3.455 -9.113 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.910 -3.981 -8.806 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.360 -3.769 -7.156 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.612 -5.821 -7.132 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.930 -6.310 -7.076 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.360 -7.595 -8.652 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.978 -6.916 -9.367 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.498 -6.200 -9.609 1.00 24.98 H new ATOM 471 N ILE A 30 -2.909 -3.852 -5.589 1.00 4.57 N ATOM 472 CA ILE A 30 -3.859 -4.225 -4.554 1.00 5.58 C ATOM 473 C ILE A 30 -5.338 -4.064 -4.994 1.00 7.26 C ATOM 474 O ILE A 30 -6.256 -4.704 -4.489 1.00 9.46 O ATOM 475 CB ILE A 30 -3.586 -3.538 -3.200 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.141 -3.942 -2.737 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.603 -3.783 -2.065 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.505 -3.017 -1.720 1.00 2.00 C ATOM 0 H ILE A 30 -2.467 -2.945 -5.439 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.696 -5.291 -4.398 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.691 -2.470 -3.389 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.180 -4.947 -2.316 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.496 -3.989 -3.614 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.289 -3.242 -1.172 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.587 -3.431 -2.376 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.652 -4.849 -1.844 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.510 -3.384 -1.467 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.426 -2.014 -2.140 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.120 -2.987 -0.821 1.00 2.00 H new ATOM 490 N GLN A 31 -5.605 -3.196 -6.004 1.00 7.06 N ATOM 491 CA GLN A 31 -6.895 -3.024 -6.614 1.00 8.67 C ATOM 492 C GLN A 31 -7.191 -4.318 -7.364 1.00 10.90 C ATOM 493 O GLN A 31 -8.302 -4.778 -7.381 1.00 9.63 O ATOM 494 CB GLN A 31 -6.898 -1.893 -7.673 1.00 9.12 C ATOM 495 CG GLN A 31 -8.284 -1.616 -8.266 1.00 10.76 C ATOM 496 CD GLN A 31 -8.203 -0.751 -9.515 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.691 0.321 -9.515 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.579 -1.292 -10.601 1.00 14.76 N ATOM 0 H GLN A 31 -4.890 -2.592 -6.409 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.620 -2.778 -5.838 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.517 -0.979 -7.218 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.213 -2.158 -8.478 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.770 -2.561 -8.509 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.906 -1.120 -7.520 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.174 -2.226 -10.543 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.518 -0.762 -11.470 1.00 14.76 H new ATOM 507 N ASP A 32 -6.199 -4.979 -8.009 1.00 10.93 N ATOM 508 CA ASP A 32 -6.314 -6.359 -8.455 1.00 14.01 C ATOM 509 C ASP A 32 -6.577 -7.347 -7.389 1.00 14.04 C ATOM 510 O ASP A 32 -7.408 -8.223 -7.641 1.00 13.39 O ATOM 511 CB ASP A 32 -5.019 -6.584 -9.277 1.00 18.01 C ATOM 512 CG ASP A 32 -5.248 -7.730 -10.240 1.00 24.33 C ATOM 513 OD1 ASP A 32 -6.114 -7.643 -11.166 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.557 -8.743 -10.124 1.00 25.17 O ATOM 0 H ASP A 32 -5.298 -4.553 -8.228 1.00 10.93 H new ATOM 0 HA ASP A 32 -7.207 -6.522 -9.059 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.756 -5.678 -9.823 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.184 -6.809 -8.613 1.00 18.01 H new ATOM 519 N LYS A 33 -5.737 -7.418 -6.288 1.00 14.22 N ATOM 520 CA LYS A 33 -5.819 -8.470 -5.320 1.00 14.00 C ATOM 521 C LYS A 33 -7.133 -8.544 -4.594 1.00 12.37 C ATOM 522 O LYS A 33 -7.779 -9.576 -4.463 1.00 12.17 O ATOM 523 CB LYS A 33 -4.582 -8.522 -4.338 1.00 18.62 C ATOM 524 CG LYS A 33 -3.201 -8.492 -4.898 1.00 24.00 C ATOM 525 CD LYS A 33 -2.764 -9.650 -5.894 1.00 27.61 C ATOM 526 CE LYS A 33 -1.265 -9.619 -6.263 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.906 -10.636 -7.177 1.00 30.06 N ATOM 0 H LYS A 33 -5.008 -6.732 -6.092 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.771 -9.380 -5.918 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.675 -7.681 -3.651 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.674 -9.431 -3.744 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.074 -7.542 -5.417 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.503 -8.493 -4.061 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.998 -10.614 -5.441 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.355 -9.575 -6.807 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.021 -8.647 -6.693 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.670 -9.725 -5.356 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.110 -10.569 -7.390 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.112 -11.566 -6.760 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.452 -10.522 -8.055 1.00 30.06 H new ATOM 541 N GLU A 34 -7.539 -7.362 -4.041 1.00 10.11 N ATOM 542 CA GLU A 34 -8.624 -7.205 -3.087 1.00 10.07 C ATOM 543 C GLU A 34 -9.819 -6.391 -3.671 1.00 9.32 C ATOM 544 O GLU A 34 -10.910 -6.390 -3.138 1.00 11.61 O ATOM 545 CB GLU A 34 -8.018 -6.654 -1.794 1.00 14.77 C ATOM 546 CG GLU A 34 -6.808 -7.434 -1.093 1.00 18.75 C ATOM 547 CD GLU A 34 -7.310 -8.718 -0.536 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.139 -8.817 0.394 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.940 -9.771 -1.109 1.00 25.19 O ATOM 0 H GLU A 34 -7.089 -6.476 -4.271 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.090 -8.163 -2.857 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.676 -5.640 -2.000 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.823 -6.577 -1.063 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.014 -7.623 -1.816 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.377 -6.823 -0.299 1.00 18.75 H new ATOM 556 N GLY A 35 -9.626 -5.731 -4.831 1.00 7.22 N ATOM 557 CA GLY A 35 -10.752 -5.049 -5.601 1.00 6.29 C ATOM 558 C GLY A 35 -11.144 -3.736 -5.147 1.00 6.93 C ATOM 559 O GLY A 35 -12.065 -3.149 -5.699 1.00 7.41 O ATOM 0 H GLY A 35 -8.713 -5.641 -5.276 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.452 -4.972 -6.646 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.628 -5.696 -5.568 1.00 6.29 H new ATOM 563 N ILE A 36 -10.484 -3.147 -4.099 1.00 5.86 N ATOM 564 CA ILE A 36 -10.682 -1.728 -3.648 1.00 6.07 C ATOM 565 C ILE A 36 -9.981 -0.747 -4.613 1.00 6.36 C ATOM 566 O ILE A 36 -8.766 -0.948 -4.786 1.00 6.18 O ATOM 567 CB ILE A 36 -10.188 -1.499 -2.284 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.656 -2.615 -1.305 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.765 -0.174 -1.742 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.917 -2.524 0.115 1.00 9.49 C ATOM 0 H ILE A 36 -9.794 -3.648 -3.539 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.757 -1.549 -3.652 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.100 -1.483 -2.339 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.733 -2.538 -1.158 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.464 -3.591 -1.751 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.398 -0.004 -0.730 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.451 0.649 -2.384 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.854 -0.230 -1.729 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.276 -3.323 0.764 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.841 -2.628 -0.027 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.130 -1.559 0.575 1.00 9.49 H new ATOM 582 N PRO A 37 -10.601 0.258 -5.142 1.00 8.65 N ATOM 583 CA PRO A 37 -9.953 1.292 -5.924 1.00 9.18 C ATOM 584 C PRO A 37 -8.895 2.064 -5.100 1.00 9.85 C ATOM 585 O PRO A 37 -9.119 2.324 -3.910 1.00 8.51 O ATOM 586 CB PRO A 37 -11.030 2.212 -6.343 1.00 11.42 C ATOM 587 CG PRO A 37 -12.218 1.305 -6.475 1.00 9.27 C ATOM 588 CD PRO A 37 -12.058 0.268 -5.376 1.00 8.33 C ATOM 0 HA PRO A 37 -9.424 0.854 -6.770 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.201 2.996 -5.605 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.794 2.707 -7.285 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.150 1.859 -6.360 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.246 0.835 -7.458 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.610 0.543 -4.477 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.424 -0.710 -5.687 1.00 8.33 H new ATOM 596 N PRO A 38 -7.715 2.471 -5.699 1.00 8.71 N ATOM 597 CA PRO A 38 -6.651 3.233 -5.076 1.00 9.08 C ATOM 598 C PRO A 38 -7.133 4.530 -4.357 1.00 9.28 C ATOM 599 O PRO A 38 -6.673 4.875 -3.288 1.00 6.50 O ATOM 600 CB PRO A 38 -5.665 3.544 -6.206 1.00 10.31 C ATOM 601 CG PRO A 38 -5.851 2.345 -7.064 1.00 10.81 C ATOM 602 CD PRO A 38 -7.323 1.980 -7.032 1.00 12.00 C ATOM 0 HA PRO A 38 -6.197 2.654 -4.272 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.910 4.469 -6.727 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.640 3.642 -5.847 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.530 2.552 -8.085 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.243 1.516 -6.700 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.884 2.466 -7.830 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.483 0.907 -7.138 1.00 12.00 H new ATOM 610 N ASP A 39 -8.169 5.209 -4.905 1.00 11.20 N ATOM 611 CA ASP A 39 -8.712 6.425 -4.353 1.00 14.96 C ATOM 612 C ASP A 39 -9.672 6.228 -3.115 1.00 13.99 C ATOM 613 O ASP A 39 -9.991 7.160 -2.352 1.00 13.75 O ATOM 614 CB ASP A 39 -9.561 7.073 -5.450 1.00 24.16 C ATOM 615 CG ASP A 39 -8.628 7.602 -6.511 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.707 8.433 -6.217 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.835 7.316 -7.697 1.00 34.22 O ATOM 0 H ASP A 39 -8.642 4.904 -5.756 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.861 7.015 -4.012 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.251 6.345 -5.878 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.165 7.881 -5.037 1.00 24.16 H new ATOM 622 N GLN A 40 -10.048 4.960 -2.957 1.00 11.60 N ATOM 623 CA GLN A 40 -10.721 4.408 -1.772 1.00 10.76 C ATOM 624 C GLN A 40 -9.868 3.444 -0.917 1.00 8.01 C ATOM 625 O GLN A 40 -10.371 2.716 -0.047 1.00 8.96 O ATOM 626 CB GLN A 40 -12.033 3.618 -2.175 1.00 11.14 C ATOM 627 CG GLN A 40 -13.193 3.317 -1.172 1.00 14.85 C ATOM 628 CD GLN A 40 -14.293 2.502 -1.869 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.455 1.278 -1.573 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.969 3.127 -2.819 1.00 18.16 N ATOM 0 H GLN A 40 -9.888 4.257 -3.678 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.935 5.292 -1.172 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.478 4.164 -3.007 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.705 2.655 -2.565 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.809 2.765 -0.314 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.607 4.251 -0.791 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.791 4.113 -3.007 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.669 2.622 -3.363 1.00 18.16 H new ATOM 639 N GLN A 41 -8.558 3.501 -1.045 1.00 6.52 N ATOM 640 CA GLN A 41 -7.624 2.615 -0.410 1.00 3.87 C ATOM 641 C GLN A 41 -6.438 3.476 0.232 1.00 4.79 C ATOM 642 O GLN A 41 -5.773 4.242 -0.496 1.00 6.34 O ATOM 643 CB GLN A 41 -7.112 1.729 -1.540 1.00 4.20 C ATOM 644 CG GLN A 41 -6.196 0.536 -1.207 1.00 3.20 C ATOM 645 CD GLN A 41 -5.422 -0.116 -2.284 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.206 -0.322 -2.211 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.995 -0.286 -3.506 1.00 7.13 N ATOM 0 H GLN A 41 -8.101 4.204 -1.625 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.063 2.025 0.395 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.981 1.337 -2.068 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.575 2.369 -2.240 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.485 0.872 -0.453 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -6.816 -0.230 -0.742 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.996 -0.130 -3.626 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.424 -0.570 -4.302 1.00 7.13 H new ATOM 656 N ARG A 42 -6.140 3.332 1.532 1.00 5.73 N ATOM 657 CA ARG A 42 -4.959 3.842 2.127 1.00 6.97 C ATOM 658 C ARG A 42 -4.188 2.660 2.573 1.00 7.15 C ATOM 659 O ARG A 42 -4.745 1.637 2.861 1.00 7.33 O ATOM 660 CB ARG A 42 -5.277 4.723 3.412 1.00 13.23 C ATOM 661 CG ARG A 42 -5.666 6.127 3.053 1.00 21.27 C ATOM 662 CD ARG A 42 -5.400 7.220 4.124 1.00 26.14 C ATOM 663 NE ARG A 42 -5.585 8.546 3.367 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.410 9.427 3.929 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.577 8.961 4.402 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.111 10.699 3.997 1.00 36.39 N ATOM 0 H ARG A 42 -6.747 2.842 2.189 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.427 4.469 1.411 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.083 4.258 3.979 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.402 4.745 4.061 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.134 6.405 2.143 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.730 6.135 2.815 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.097 7.138 4.958 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.395 7.135 4.538 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.105 8.739 2.488 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.800 7.969 4.322 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.241 9.599 4.841 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.228 11.036 3.614 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.761 11.353 4.433 1.00 36.39 H new ATOM 680 N LEU A 43 -2.868 2.851 2.551 1.00 4.65 N ATOM 681 CA LEU A 43 -1.910 1.891 3.057 1.00 3.51 C ATOM 682 C LEU A 43 -1.041 2.718 4.057 1.00 5.56 C ATOM 683 O LEU A 43 -0.409 3.739 3.797 1.00 4.19 O ATOM 684 CB LEU A 43 -1.076 1.333 1.904 1.00 3.74 C ATOM 685 CG LEU A 43 -1.758 0.606 0.767 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.667 0.186 -0.202 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.568 -0.598 1.252 1.00 6.41 C ATOM 0 H LEU A 43 -2.436 3.694 2.173 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.369 1.028 3.540 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.521 2.165 1.471 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.343 0.650 2.334 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.480 1.263 0.281 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.112 -0.345 -1.043 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.144 1.070 -0.567 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.040 -0.469 0.307 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.039 -1.087 0.399 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.906 -1.303 1.755 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.337 -0.263 1.948 1.00 6.41 H new ATOM 699 N ILE A 44 -1.057 2.244 5.357 1.00 4.58 N ATOM 700 CA ILE A 44 -0.407 2.884 6.440 1.00 5.55 C ATOM 701 C ILE A 44 0.884 2.169 6.756 1.00 5.46 C ATOM 702 O ILE A 44 0.791 0.965 6.981 1.00 6.04 O ATOM 703 CB ILE A 44 -1.290 3.089 7.690 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.449 3.880 7.118 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.515 3.765 8.835 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.606 4.068 8.188 1.00 13.90 C ATOM 0 H ILE A 44 -1.545 1.390 5.627 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.182 3.900 6.115 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.632 2.176 8.178 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.096 4.856 6.786 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.843 3.368 6.240 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.173 3.891 9.695 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.335 3.143 9.116 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.158 4.741 8.506 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.422 4.639 7.745 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.975 3.091 8.500 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.217 4.603 9.054 1.00 13.90 H new ATOM 718 N PHE A 45 2.062 2.776 6.743 1.00 6.75 N ATOM 719 CA PHE A 45 3.348 2.052 7.044 1.00 4.70 C ATOM 720 C PHE A 45 4.045 3.018 8.043 1.00 6.34 C ATOM 721 O PHE A 45 4.110 4.246 7.723 1.00 5.45 O ATOM 722 CB PHE A 45 4.199 1.876 5.757 1.00 5.51 C ATOM 723 CG PHE A 45 5.681 1.576 6.002 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.114 0.375 6.546 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.678 2.534 5.694 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.451 0.120 6.855 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.049 2.287 5.867 1.00 6.64 C ATOM 728 CZ PHE A 45 8.424 1.088 6.460 1.00 6.84 C ATOM 0 H PHE A 45 2.183 3.766 6.531 1.00 6.75 H new ATOM 0 HA PHE A 45 3.203 1.046 7.437 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.772 1.067 5.164 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.121 2.784 5.160 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.384 -0.397 6.739 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.370 3.495 5.310 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.741 -0.781 7.376 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.789 3.007 5.549 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.472 0.884 6.626 1.00 6.84 H new ATOM 738 N ALA A 46 4.403 2.563 9.261 1.00 6.53 N ATOM 739 CA ALA A 46 5.025 3.335 10.361 1.00 7.15 C ATOM 740 C ALA A 46 4.488 4.736 10.604 1.00 9.00 C ATOM 741 O ALA A 46 5.213 5.717 10.769 1.00 11.15 O ATOM 742 CB ALA A 46 6.545 3.457 9.957 1.00 8.99 C ATOM 0 H ALA A 46 4.258 1.587 9.521 1.00 6.53 H new ATOM 0 HA ALA A 46 4.814 2.806 11.290 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.081 4.018 10.722 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.979 2.461 9.867 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.627 3.976 9.002 1.00 8.99 H new ATOM 748 N GLY A 47 3.200 4.853 10.678 1.00 9.35 N ATOM 749 CA GLY A 47 2.477 6.083 11.030 1.00 11.68 C ATOM 750 C GLY A 47 2.274 6.968 9.804 1.00 11.14 C ATOM 751 O GLY A 47 1.598 7.983 9.903 1.00 13.93 O ATOM 0 H GLY A 47 2.574 4.070 10.490 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.510 5.829 11.464 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.033 6.631 11.790 1.00 11.68 H new ATOM 755 N LYS A 48 2.787 6.653 8.662 1.00 10.47 N ATOM 756 CA LYS A 48 2.612 7.367 7.403 1.00 8.82 C ATOM 757 C LYS A 48 1.637 6.701 6.509 1.00 7.68 C ATOM 758 O LYS A 48 1.631 5.494 6.346 1.00 6.47 O ATOM 759 CB LYS A 48 4.012 7.518 6.785 1.00 9.74 C ATOM 760 CG LYS A 48 5.200 7.871 7.627 1.00 14.14 C ATOM 761 CD LYS A 48 6.460 8.277 6.736 1.00 16.32 C ATOM 762 CE LYS A 48 7.821 8.321 7.393 1.00 20.04 C ATOM 763 NZ LYS A 48 7.867 9.432 8.324 1.00 23.92 N ATOM 0 H LYS A 48 3.386 5.834 8.557 1.00 10.47 H new ATOM 0 HA LYS A 48 2.176 8.352 7.569 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.243 6.576 6.288 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.936 8.278 6.008 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.943 8.697 8.290 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.461 7.023 8.260 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.516 7.577 5.902 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.264 9.262 6.313 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.016 7.385 7.916 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.599 8.432 6.638 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.802 9.466 8.778 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.699 10.321 7.812 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.133 9.307 9.051 1.00 23.92 H new ATOM 777 N GLN A 49 0.669 7.453 5.968 1.00 8.89 N ATOM 778 CA GLN A 49 -0.505 6.982 5.265 1.00 7.18 C ATOM 779 C GLN A 49 -0.301 7.004 3.752 1.00 8.23 C ATOM 780 O GLN A 49 -1.227 6.787 3.012 1.00 9.70 O ATOM 781 CB GLN A 49 -1.877 7.764 5.581 1.00 11.67 C ATOM 782 CG GLN A 49 -2.115 8.098 7.099 1.00 15.82 C ATOM 783 CD GLN A 49 -3.531 8.660 7.219 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.399 7.901 7.691 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.799 9.982 7.038 1.00 20.67 N ATOM 0 H GLN A 49 0.699 8.471 6.020 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.619 5.967 5.645 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.887 8.695 5.014 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.712 7.163 5.221 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.002 7.204 7.712 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.382 8.822 7.454 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.085 10.599 6.651 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.714 10.356 7.289 1.00 20.67 H new ATOM 794 N LEU A 50 0.929 7.335 3.332 1.00 6.51 N ATOM 795 CA LEU A 50 1.486 7.507 1.969 1.00 7.41 C ATOM 796 C LEU A 50 0.849 8.433 0.934 1.00 8.27 C ATOM 797 O LEU A 50 -0.380 8.596 0.873 1.00 8.34 O ATOM 798 CB LEU A 50 1.761 6.029 1.406 1.00 7.13 C ATOM 799 CG LEU A 50 2.483 5.092 2.420 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.668 3.678 1.834 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.849 5.663 2.809 1.00 9.11 C ATOM 0 H LEU A 50 1.655 7.513 4.026 1.00 6.51 H new ATOM 0 HA LEU A 50 2.373 8.122 2.124 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.811 5.577 1.121 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.364 6.102 0.501 1.00 7.13 H new ATOM 0 HG LEU A 50 1.855 5.026 3.309 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.174 3.045 2.563 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.693 3.251 1.599 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.268 3.736 0.926 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.335 4.993 3.518 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.469 5.761 1.918 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.716 6.642 3.269 1.00 9.11 H new ATOM 813 N GLU A 51 1.738 8.808 -0.006 1.00 9.43 N ATOM 814 CA GLU A 51 1.340 9.526 -1.153 1.00 11.90 C ATOM 815 C GLU A 51 1.841 8.755 -2.375 1.00 11.49 C ATOM 816 O GLU A 51 2.778 8.008 -2.310 1.00 9.88 O ATOM 817 CB GLU A 51 1.872 11.044 -1.208 1.00 16.56 C ATOM 818 CG GLU A 51 1.383 11.752 0.078 1.00 26.06 C ATOM 819 CD GLU A 51 1.612 13.215 0.056 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.519 13.713 -0.637 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.891 13.938 0.827 1.00 32.13 O ATOM 0 H GLU A 51 2.737 8.606 0.041 1.00 9.43 H new ATOM 0 HA GLU A 51 0.253 9.607 -1.130 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.960 11.067 -1.269 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.492 11.552 -2.094 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.319 11.558 0.210 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.895 11.323 0.939 1.00 26.06 H new ATOM 828 N ASP A 52 1.176 8.951 -3.553 1.00 12.71 N ATOM 829 CA ASP A 52 1.162 8.000 -4.632 1.00 16.56 C ATOM 830 C ASP A 52 2.435 7.934 -5.490 1.00 15.83 C ATOM 831 O ASP A 52 2.937 6.878 -5.865 1.00 17.21 O ATOM 832 CB ASP A 52 0.021 8.293 -5.586 1.00 21.05 C ATOM 833 CG ASP A 52 -1.265 8.084 -4.955 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.644 6.932 -4.523 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.035 9.061 -4.897 1.00 25.82 O ATOM 0 H ASP A 52 0.638 9.795 -3.750 1.00 12.71 H new ATOM 0 HA ASP A 52 1.061 7.045 -4.117 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.093 9.323 -5.935 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.105 7.652 -6.464 1.00 21.05 H new ATOM 840 N GLY A 53 2.923 9.130 -5.922 1.00 15.00 N ATOM 841 CA GLY A 53 3.989 9.209 -6.920 1.00 11.77 C ATOM 842 C GLY A 53 5.338 8.907 -6.393 1.00 11.10 C ATOM 843 O GLY A 53 6.282 8.510 -7.102 1.00 11.25 O ATOM 0 H GLY A 53 2.589 10.035 -5.590 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.764 8.516 -7.730 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.995 10.211 -7.350 1.00 11.77 H new ATOM 847 N ARG A 54 5.441 9.079 -5.077 1.00 8.53 N ATOM 848 CA ARG A 54 6.636 8.759 -4.339 1.00 9.05 C ATOM 849 C ARG A 54 6.997 7.333 -4.298 1.00 8.96 C ATOM 850 O ARG A 54 6.216 6.397 -4.370 1.00 11.60 O ATOM 851 CB ARG A 54 6.555 9.189 -2.927 1.00 7.97 C ATOM 852 CG ARG A 54 5.960 10.567 -2.635 1.00 9.62 C ATOM 853 CD ARG A 54 6.593 11.117 -1.296 1.00 12.20 C ATOM 854 NE ARG A 54 5.654 12.122 -0.709 1.00 18.23 N ATOM 855 CZ ARG A 54 5.788 12.784 0.431 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.766 12.613 1.320 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.841 13.669 0.692 1.00 23.38 N ATOM 0 H ARG A 54 4.686 9.448 -4.499 1.00 8.53 H new ATOM 0 HA ARG A 54 7.397 9.302 -4.900 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.967 8.448 -2.384 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.562 9.164 -2.511 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.166 11.250 -3.459 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.876 10.499 -2.541 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.763 10.301 -0.594 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.562 11.574 -1.494 1.00 12.20 H new ATOM 0 HE ARG A 54 4.812 12.321 -1.249 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.497 11.922 1.148 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.784 13.173 2.172 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.074 13.804 0.034 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.878 14.217 1.552 1.00 23.38 H new ATOM 871 N THR A 55 8.275 7.002 -4.363 1.00 9.05 N ATOM 872 CA THR A 55 8.809 5.661 -4.501 1.00 9.03 C ATOM 873 C THR A 55 9.027 5.023 -3.190 1.00 8.15 C ATOM 874 O THR A 55 9.297 5.705 -2.219 1.00 5.91 O ATOM 875 CB THR A 55 10.100 5.500 -5.357 1.00 11.15 C ATOM 876 OG1 THR A 55 11.244 6.163 -4.823 1.00 11.95 O ATOM 877 CG2 THR A 55 9.920 6.137 -6.668 1.00 11.71 C ATOM 0 H THR A 55 9.011 7.707 -4.318 1.00 9.05 H new ATOM 0 HA THR A 55 8.022 5.158 -5.063 1.00 9.03 H new ATOM 0 HB THR A 55 10.261 4.422 -5.391 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.914 5.498 -4.559 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.829 6.018 -7.258 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.085 5.668 -7.189 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.712 7.198 -6.531 1.00 11.71 H new ATOM 885 N LEU A 56 9.045 3.630 -3.116 1.00 6.91 N ATOM 886 CA LEU A 56 9.264 2.904 -1.844 1.00 8.29 C ATOM 887 C LEU A 56 10.639 3.174 -1.192 1.00 8.05 C ATOM 888 O LEU A 56 10.755 3.120 0.005 1.00 10.17 O ATOM 889 CB LEU A 56 9.225 1.376 -2.072 1.00 6.60 C ATOM 890 CG LEU A 56 7.858 0.787 -2.288 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.679 0.673 -3.807 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.758 -0.613 -1.677 1.00 8.64 C ATOM 0 H LEU A 56 8.910 3.021 -3.923 1.00 6.91 H new ATOM 0 HA LEU A 56 8.467 3.264 -1.194 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.844 1.140 -2.938 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.680 0.886 -1.211 1.00 6.60 H new ATOM 0 HG LEU A 56 7.098 1.412 -1.820 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.699 0.249 -4.027 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.756 1.662 -4.258 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.455 0.026 -4.217 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.759 -1.014 -1.848 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.496 -1.266 -2.142 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.947 -0.557 -0.605 1.00 8.64 H new ATOM 904 N SER A 57 11.723 3.345 -1.983 1.00 8.92 N ATOM 905 CA SER A 57 13.101 3.825 -1.542 1.00 9.00 C ATOM 906 C SER A 57 13.011 5.262 -0.920 1.00 9.44 C ATOM 907 O SER A 57 13.631 5.448 0.137 1.00 10.91 O ATOM 908 CB SER A 57 14.093 3.840 -2.716 1.00 10.32 C ATOM 909 OG SER A 57 13.668 4.581 -3.836 1.00 13.59 O ATOM 0 H SER A 57 11.686 3.153 -2.984 1.00 8.92 H new ATOM 0 HA SER A 57 13.463 3.125 -0.789 1.00 9.00 H new ATOM 0 HB2 SER A 57 15.042 4.247 -2.367 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.282 2.813 -3.027 1.00 10.32 H new ATOM 0 HG SER A 57 14.354 4.541 -4.534 1.00 13.59 H new ATOM 915 N ASP A 58 12.213 6.220 -1.544 1.00 9.11 N ATOM 916 CA ASP A 58 12.003 7.559 -0.896 1.00 7.91 C ATOM 917 C ASP A 58 11.362 7.462 0.485 1.00 9.12 C ATOM 918 O ASP A 58 11.827 8.101 1.401 1.00 8.61 O ATOM 919 CB ASP A 58 11.135 8.346 -1.871 1.00 8.41 C ATOM 920 CG ASP A 58 11.043 9.859 -1.488 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.126 10.464 -1.444 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.000 10.417 -1.203 1.00 11.70 O ATOM 0 H ASP A 58 11.738 6.090 -2.438 1.00 9.11 H new ATOM 0 HA ASP A 58 12.957 8.052 -0.710 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.544 8.251 -2.877 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.133 7.916 -1.892 1.00 8.41 H new ATOM 927 N TYR A 59 10.303 6.625 0.607 1.00 7.97 N ATOM 928 CA TYR A 59 9.492 6.432 1.798 1.00 8.45 C ATOM 929 C TYR A 59 10.227 5.533 2.716 1.00 10.98 C ATOM 930 O TYR A 59 9.711 5.296 3.800 1.00 12.95 O ATOM 931 CB TYR A 59 8.054 6.017 1.418 1.00 7.94 C ATOM 932 CG TYR A 59 7.086 7.201 1.496 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.963 8.023 2.676 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.153 7.379 0.470 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.048 9.120 2.713 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.155 8.354 0.594 1.00 6.52 C ATOM 937 CZ TYR A 59 5.155 9.258 1.679 1.00 6.76 C ATOM 938 OH TYR A 59 4.136 10.160 1.689 1.00 7.63 O ATOM 0 H TYR A 59 9.989 6.045 -0.171 1.00 7.97 H new ATOM 0 HA TYR A 59 9.339 7.358 2.352 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.048 5.607 0.408 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.715 5.225 2.085 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.570 7.806 3.542 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.202 6.765 -0.417 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.059 9.823 3.533 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.375 8.415 -0.150 1.00 6.52 H new ATOM 0 HH TYR A 59 3.779 10.260 0.782 1.00 7.63 H new ATOM 948 N ASN A 60 11.452 5.014 2.392 1.00 12.38 N ATOM 949 CA ASN A 60 12.213 4.207 3.272 1.00 13.94 C ATOM 950 C ASN A 60 11.545 2.890 3.759 1.00 14.16 C ATOM 951 O ASN A 60 11.539 2.575 4.941 1.00 14.26 O ATOM 952 CB ASN A 60 12.829 4.949 4.489 1.00 19.23 C ATOM 953 CG ASN A 60 13.671 6.077 3.935 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.803 5.897 3.468 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.334 7.345 4.294 1.00 24.09 N ATOM 0 H ASN A 60 11.903 5.173 1.491 1.00 12.38 H new ATOM 0 HA ASN A 60 13.021 3.922 2.598 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.047 5.336 5.142 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.437 4.271 5.087 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.005 8.104 4.174 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.411 7.537 4.683 1.00 24.09 H new ATOM 962 N ILE A 61 11.002 2.174 2.823 1.00 11.08 N ATOM 963 CA ILE A 61 10.318 0.908 2.950 1.00 11.78 C ATOM 964 C ILE A 61 11.372 -0.168 2.677 1.00 13.74 C ATOM 965 O ILE A 61 12.035 -0.126 1.676 1.00 14.60 O ATOM 966 CB ILE A 61 9.090 0.763 2.044 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.167 2.037 2.146 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.363 -0.605 2.306 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.696 1.817 1.783 1.00 11.42 C ATOM 0 H ILE A 61 11.025 2.486 1.852 1.00 11.08 H new ATOM 0 HA ILE A 61 9.897 0.816 3.951 1.00 11.78 H new ATOM 0 HB ILE A 61 9.403 0.722 1.001 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.218 2.420 3.165 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.572 2.811 1.494 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.495 -0.687 1.652 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.049 -1.427 2.102 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.040 -0.652 3.346 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.151 2.755 1.887 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.624 1.468 0.753 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.264 1.071 2.450 1.00 11.42 H new ATOM 981 N GLN A 62 11.568 -1.128 3.607 1.00 13.97 N ATOM 982 CA GLN A 62 12.633 -2.142 3.583 1.00 15.52 C ATOM 983 C GLN A 62 12.057 -3.422 3.083 1.00 13.94 C ATOM 984 O GLN A 62 10.825 -3.491 2.939 1.00 12.15 O ATOM 985 CB GLN A 62 13.112 -2.382 4.957 1.00 19.53 C ATOM 986 CG GLN A 62 13.883 -1.117 5.543 1.00 26.38 C ATOM 987 CD GLN A 62 14.505 -1.438 6.860 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.717 -1.515 7.119 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.642 -1.634 7.882 1.00 32.71 N ATOM 0 H GLN A 62 10.964 -1.217 4.424 1.00 13.97 H new ATOM 0 HA GLN A 62 13.449 -1.797 2.947 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.266 -2.622 5.600 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.774 -3.248 4.965 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.653 -0.797 4.841 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.190 -0.284 5.657 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.637 -1.581 7.718 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.996 -1.835 8.817 1.00 32.71 H new ATOM 998 N LYS A 63 12.889 -4.492 2.832 1.00 11.73 N ATOM 999 CA LYS A 63 12.409 -5.802 2.645 1.00 11.97 C ATOM 1000 C LYS A 63 11.710 -6.383 3.835 1.00 10.41 C ATOM 1001 O LYS A 63 12.093 -6.078 4.971 1.00 9.59 O ATOM 1002 CB LYS A 63 13.603 -6.809 2.248 1.00 13.73 C ATOM 1003 CG LYS A 63 14.557 -7.316 3.384 1.00 16.98 C ATOM 1004 CD LYS A 63 15.525 -8.385 2.984 1.00 20.19 C ATOM 1005 CE LYS A 63 16.654 -7.849 2.132 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.478 -8.926 1.674 1.00 25.97 N ATOM 0 H LYS A 63 13.903 -4.410 2.765 1.00 11.73 H new ATOM 0 HA LYS A 63 11.681 -5.705 1.839 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.157 -7.683 1.774 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.217 -6.316 1.494 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.120 -6.465 3.768 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.947 -7.691 4.206 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.938 -8.851 3.879 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.996 -9.163 2.434 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.249 -7.303 1.280 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.252 -7.143 2.709 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.251 -8.548 1.090 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.877 -9.430 2.492 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.906 -9.584 1.107 1.00 25.97 H new ATOM 1020 N GLU A 64 10.665 -7.219 3.563 1.00 10.04 N ATOM 1021 CA GLU A 64 9.859 -7.858 4.576 1.00 10.94 C ATOM 1022 C GLU A 64 9.132 -6.837 5.589 1.00 9.74 C ATOM 1023 O GLU A 64 8.905 -7.158 6.786 1.00 9.42 O ATOM 1024 CB GLU A 64 10.720 -8.904 5.350 1.00 18.31 C ATOM 1025 CG GLU A 64 11.529 -9.949 4.435 1.00 24.16 C ATOM 1026 CD GLU A 64 12.280 -10.955 5.326 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.080 -11.035 6.574 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.026 -11.822 4.815 1.00 31.72 O ATOM 0 H GLU A 64 10.378 -7.453 2.612 1.00 10.04 H new ATOM 0 HA GLU A 64 9.045 -8.360 4.053 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.433 -8.369 5.977 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.066 -9.464 6.018 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.840 -10.477 3.776 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.235 -9.417 3.798 1.00 24.16 H new ATOM 1035 N SER A 65 8.771 -5.628 5.102 1.00 6.85 N ATOM 1036 CA SER A 65 7.914 -4.672 5.742 1.00 6.90 C ATOM 1037 C SER A 65 6.427 -4.859 5.638 1.00 4.72 C ATOM 1038 O SER A 65 5.953 -5.487 4.666 1.00 3.91 O ATOM 1039 CB SER A 65 8.199 -3.243 5.150 1.00 7.28 C ATOM 1040 OG SER A 65 9.585 -2.887 5.317 1.00 10.56 O ATOM 0 H SER A 65 9.104 -5.299 4.196 1.00 6.85 H new ATOM 0 HA SER A 65 8.163 -4.811 6.794 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.939 -3.224 4.092 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.567 -2.506 5.646 1.00 7.28 H new ATOM 0 HG SER A 65 10.069 -3.056 4.482 1.00 10.56 H new ATOM 1046 N THR A 66 5.697 -4.272 6.612 1.00 4.48 N ATOM 1047 CA THR A 66 4.244 -4.553 6.627 1.00 3.80 C ATOM 1048 C THR A 66 3.482 -3.291 6.376 1.00 4.60 C ATOM 1049 O THR A 66 3.822 -2.281 6.986 1.00 5.33 O ATOM 1050 CB THR A 66 3.720 -5.116 7.958 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.245 -6.435 8.065 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.195 -5.242 7.997 1.00 3.40 C ATOM 0 H THR A 66 6.050 -3.652 7.341 1.00 4.48 H new ATOM 0 HA THR A 66 4.096 -5.305 5.852 1.00 3.80 H new ATOM 0 HB THR A 66 4.021 -4.442 8.760 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.940 -6.841 8.903 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.888 -5.645 8.962 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.745 -4.260 7.854 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.865 -5.911 7.203 1.00 3.40 H new ATOM 1060 N LEU A 67 2.494 -3.258 5.477 1.00 4.17 N ATOM 1061 CA LEU A 67 1.615 -2.211 4.995 1.00 3.85 C ATOM 1062 C LEU A 67 0.203 -2.521 5.373 1.00 3.80 C ATOM 1063 O LEU A 67 -0.234 -3.633 5.141 1.00 5.54 O ATOM 1064 CB LEU A 67 1.776 -2.061 3.464 1.00 7.18 C ATOM 1065 CG LEU A 67 3.243 -2.069 2.878 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.167 -1.885 1.346 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.253 -1.036 3.405 1.00 11.66 C ATOM 0 H LEU A 67 2.263 -4.126 4.994 1.00 4.17 H new ATOM 0 HA LEU A 67 1.883 -1.260 5.457 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.219 -2.868 2.987 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.301 -1.126 3.166 1.00 7.18 H new ATOM 0 HG LEU A 67 3.631 -3.031 3.214 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.174 -1.889 0.929 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.590 -2.701 0.910 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.683 -0.936 1.117 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.211 -1.175 2.903 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.882 -0.030 3.207 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.384 -1.170 4.479 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.470 -1.610 6.078 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.739 -1.924 6.700 1.00 4.17 C ATOM 1081 C HIS A 68 -2.822 -1.279 5.914 1.00 5.32 C ATOM 1082 O HIS A 68 -2.878 -0.068 5.707 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.774 -1.366 8.132 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.693 -1.799 9.030 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.439 -1.066 9.163 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.618 -2.826 9.904 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.202 -1.722 10.061 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.602 -2.741 10.611 1.00 16.30 N ATOM 0 H HIS A 68 -0.151 -0.653 6.227 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.872 -3.005 6.729 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.755 -0.278 8.075 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.726 -1.645 8.584 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.667 -0.196 8.682 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.370 -3.589 10.040 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.214 -1.431 10.302 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.752 -2.060 5.381 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.762 -1.627 4.456 1.00 3.97 C ATOM 1098 C LEU A 69 -6.006 -1.069 5.214 1.00 5.07 C ATOM 1099 O LEU A 69 -6.590 -1.702 6.085 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.078 -2.872 3.560 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.226 -2.815 2.603 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.246 -1.509 1.758 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.206 -3.960 1.499 1.00 9.96 C ATOM 0 H LEU A 69 -3.816 -3.054 5.598 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.430 -0.798 3.830 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.181 -3.095 2.982 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.248 -3.719 4.225 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.083 -2.906 3.270 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.101 -1.526 1.083 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.324 -0.648 2.421 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.326 -1.437 1.177 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.071 -3.849 0.844 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.292 -3.881 0.910 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.241 -4.935 1.985 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.313 0.173 4.870 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.412 0.883 5.481 1.00 6.26 C ATOM 1117 C VAL A 70 -8.228 1.333 4.312 1.00 9.22 C ATOM 1118 O VAL A 70 -7.680 1.741 3.262 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.905 2.047 6.341 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.841 3.243 6.581 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.429 1.520 7.715 1.00 8.54 C ATOM 0 H VAL A 70 -5.808 0.708 4.164 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.997 0.274 6.171 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.103 2.456 5.727 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.337 3.980 7.206 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.104 3.697 5.625 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.747 2.901 7.082 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.070 2.353 8.320 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.260 1.032 8.225 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.621 0.803 7.570 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.595 1.428 4.451 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.485 2.098 3.508 1.00 16.06 C ATOM 1133 C LEU A 71 -10.461 3.628 3.569 1.00 18.09 C ATOM 1134 O LEU A 71 -10.484 4.266 4.594 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.003 1.680 3.585 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.390 0.197 3.393 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.884 0.005 3.655 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.841 -0.369 2.055 1.00 19.57 C ATOM 0 H LEU A 71 -10.091 1.024 5.246 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.054 1.747 2.570 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.380 1.993 4.559 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.541 2.259 2.834 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.897 -0.424 4.141 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.146 -1.044 3.517 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -14.116 0.305 4.677 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.457 0.617 2.958 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -12.133 -1.414 1.955 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.250 0.203 1.223 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.754 -0.294 2.047 1.00 19.57 H new