USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 2.35 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= 0.761 K(o=0.76,f=-0.028) USER MOD Single : A 6 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.09) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 1.19 (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 180:sc= 0.0562 USER MOD Single : A 25 ASN : amide:sc= 1.1 K(o=1.1,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.37 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 2.06 (180deg=-0.495) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.5!) USER MOD Single : A 41 GLN : amide:sc= 0.419 K(o=0.42,f=-3.3!) 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=-0.49) USER MOD Single : A 55 THR OG1 : rot -33:sc= 0.87 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.0172 USER MOD Single : A 60 ASN : amide:sc=-0.00102 K(o=-0.001,f=-0.64) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 0.985 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.366 -7.652 -4.951 1.00 9.67 N ATOM 2 CA MET A 1 11.252 -8.004 -3.489 1.00 10.38 C ATOM 3 C MET A 1 9.845 -8.077 -2.994 1.00 9.62 C ATOM 4 O MET A 1 8.867 -7.553 -3.519 1.00 9.62 O ATOM 5 CB MET A 1 12.093 -7.141 -2.535 1.00 13.77 C ATOM 6 CG MET A 1 11.578 -5.724 -2.296 1.00 16.29 C ATOM 7 SD MET A 1 12.782 -4.576 -1.445 1.00 17.17 S ATOM 8 CE MET A 1 11.887 -3.052 -1.282 1.00 16.11 C ATOM 0 H1 MET A 1 12.341 -7.817 -5.273 1.00 9.67 H new ATOM 0 H2 MET A 1 10.714 -8.246 -5.503 1.00 9.67 H new ATOM 0 H3 MET A 1 11.121 -6.650 -5.087 1.00 9.67 H new ATOM 0 HA MET A 1 11.681 -9.006 -3.466 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.157 -7.651 -1.574 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.107 -7.077 -2.930 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.301 -5.288 -3.256 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.669 -5.781 -1.697 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.517 -2.311 -0.790 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.604 -2.689 -2.270 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.990 -3.219 -0.686 1.00 16.11 H new ATOM 20 N GLN A 2 9.601 -8.873 -1.949 1.00 9.27 N ATOM 21 CA GLN A 2 8.241 -9.025 -1.462 1.00 9.07 C ATOM 22 C GLN A 2 8.049 -8.054 -0.344 1.00 8.72 C ATOM 23 O GLN A 2 8.930 -7.956 0.521 1.00 8.22 O ATOM 24 CB GLN A 2 7.998 -10.478 -0.922 1.00 14.46 C ATOM 25 CG GLN A 2 7.131 -11.344 -1.881 1.00 17.01 C ATOM 26 CD GLN A 2 7.799 -11.428 -3.260 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.931 -11.901 -3.416 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.075 -11.016 -4.327 1.00 19.49 N ATOM 0 H GLN A 2 10.308 -9.405 -1.442 1.00 9.27 H new ATOM 0 HA GLN A 2 7.540 -8.841 -2.276 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.959 -10.968 -0.767 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.509 -10.422 0.050 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.005 -12.344 -1.467 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.135 -10.911 -1.976 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.142 -10.627 -4.191 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.462 -11.095 -5.267 1.00 19.49 H new ATOM 37 N ILE A 3 6.930 -7.339 -0.272 1.00 5.87 N ATOM 38 CA ILE A 3 6.412 -6.598 0.870 1.00 5.07 C ATOM 39 C ILE A 3 5.049 -7.239 1.241 1.00 4.01 C ATOM 40 O ILE A 3 4.388 -7.971 0.507 1.00 4.61 O ATOM 41 CB ILE A 3 6.261 -5.101 0.727 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.382 -4.614 -0.396 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.676 -4.506 0.565 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.957 -3.131 -0.203 1.00 10.83 C ATOM 0 H ILE A 3 6.312 -7.257 -1.079 1.00 5.87 H new ATOM 0 HA ILE A 3 7.170 -6.681 1.648 1.00 5.07 H new ATOM 0 HB ILE A 3 5.745 -4.765 1.627 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.912 -4.719 -1.343 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.492 -5.241 -0.458 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.606 -3.423 0.459 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.275 -4.746 1.444 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.149 -4.928 -0.322 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.325 -2.822 -1.036 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.403 -3.030 0.730 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.845 -2.500 -0.168 1.00 10.83 H new ATOM 56 N PHE A 4 4.621 -6.939 2.524 1.00 4.55 N ATOM 57 CA PHE A 4 3.523 -7.573 3.052 1.00 4.68 C ATOM 58 C PHE A 4 2.486 -6.445 3.292 1.00 5.30 C ATOM 59 O PHE A 4 2.765 -5.384 3.809 1.00 5.58 O ATOM 60 CB PHE A 4 3.803 -8.306 4.405 1.00 4.83 C ATOM 61 CG PHE A 4 4.877 -9.347 4.277 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.858 -10.237 3.183 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.790 -9.556 5.269 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.967 -11.086 3.053 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.830 -10.505 5.190 1.00 10.61 C ATOM 66 CZ PHE A 4 6.918 -11.208 3.997 1.00 8.90 C ATOM 0 H PHE A 4 5.067 -6.260 3.141 1.00 4.55 H new ATOM 0 HA PHE A 4 3.188 -8.351 2.366 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.097 -7.575 5.158 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.885 -8.776 4.758 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.035 -10.263 2.484 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.712 -8.960 6.166 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.062 -11.671 2.150 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.515 -10.674 6.007 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.760 -11.861 3.824 1.00 8.90 H new ATOM 76 N VAL A 5 1.241 -6.641 2.939 1.00 4.44 N ATOM 77 CA VAL A 5 0.163 -5.716 3.259 1.00 3.87 C ATOM 78 C VAL A 5 -0.890 -6.382 4.085 1.00 4.93 C ATOM 79 O VAL A 5 -1.555 -7.315 3.768 1.00 6.84 O ATOM 80 CB VAL A 5 -0.444 -5.052 2.015 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.407 -3.988 2.517 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.656 -4.386 1.210 1.00 9.13 C ATOM 0 H VAL A 5 0.934 -7.459 2.412 1.00 4.44 H new ATOM 0 HA VAL A 5 0.607 -4.915 3.849 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.948 -5.783 1.383 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.867 -3.484 1.667 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.182 -4.456 3.125 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.863 -3.260 3.120 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.226 -3.914 0.327 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.148 -3.630 1.822 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.386 -5.135 0.902 1.00 9.13 H new ATOM 92 N LYS A 6 -1.191 -5.787 5.333 1.00 6.04 N ATOM 93 CA LYS A 6 -2.115 -6.331 6.286 1.00 6.12 C ATOM 94 C LYS A 6 -3.499 -5.728 6.090 1.00 6.57 C ATOM 95 O LYS A 6 -3.592 -4.502 6.038 1.00 5.76 O ATOM 96 CB LYS A 6 -1.578 -6.174 7.754 1.00 7.45 C ATOM 97 CG LYS A 6 -2.378 -6.873 8.885 1.00 11.12 C ATOM 98 CD LYS A 6 -2.487 -8.424 8.713 1.00 14.54 C ATOM 99 CE LYS A 6 -3.241 -8.934 9.947 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.307 -10.408 9.988 1.00 20.55 N ATOM 0 H LYS A 6 -0.762 -4.915 5.643 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.209 -7.403 6.113 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.556 -6.552 7.781 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.530 -5.109 7.983 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.903 -6.655 9.842 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.382 -6.449 8.923 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.020 -8.678 7.797 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.499 -8.879 8.644 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.749 -8.568 10.848 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -4.252 -8.526 9.948 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.423 -10.723 10.972 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -4.116 -10.735 9.422 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.429 -10.806 9.598 1.00 20.55 H new ATOM 114 N THR A 7 -4.538 -6.544 5.923 1.00 7.41 N ATOM 115 CA THR A 7 -5.855 -5.989 5.583 1.00 7.48 C ATOM 116 C THR A 7 -6.854 -6.409 6.658 1.00 8.75 C ATOM 117 O THR A 7 -6.647 -7.289 7.523 1.00 8.58 O ATOM 118 CB THR A 7 -6.307 -6.271 4.177 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.494 -5.502 3.958 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.680 -7.722 3.938 1.00 9.17 C ATOM 0 H THR A 7 -4.503 -7.559 6.013 1.00 7.41 H new ATOM 0 HA THR A 7 -5.779 -4.902 5.582 1.00 7.48 H new ATOM 0 HB THR A 7 -5.481 -6.024 3.511 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.821 -5.657 3.047 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.996 -7.851 2.903 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.816 -8.357 4.135 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.496 -8.002 4.604 1.00 9.17 H new ATOM 128 N LEU A 8 -7.909 -5.641 6.781 1.00 9.84 N ATOM 129 CA LEU A 8 -8.962 -5.649 7.821 1.00 14.15 C ATOM 130 C LEU A 8 -9.694 -6.957 8.088 1.00 17.37 C ATOM 131 O LEU A 8 -10.187 -7.174 9.211 1.00 17.01 O ATOM 132 CB LEU A 8 -10.040 -4.593 7.340 1.00 16.63 C ATOM 133 CG LEU A 8 -9.527 -3.113 7.106 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.710 -2.300 6.523 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.906 -2.403 8.349 1.00 18.59 C ATOM 0 H LEU A 8 -8.089 -4.911 6.092 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.453 -5.437 8.761 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.478 -4.953 6.409 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.841 -4.563 8.079 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.687 -3.168 6.414 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.394 -1.272 6.348 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.029 -2.747 5.581 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.541 -2.309 7.229 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.590 -1.397 8.073 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.650 -2.344 9.144 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.044 -2.971 8.700 1.00 18.59 H new ATOM 147 N THR A 9 -9.751 -7.840 7.072 1.00 18.33 N ATOM 148 CA THR A 9 -10.420 -9.115 7.147 1.00 19.24 C ATOM 149 C THR A 9 -9.512 -10.211 7.633 1.00 19.48 C ATOM 150 O THR A 9 -9.872 -11.367 7.593 1.00 23.14 O ATOM 151 CB THR A 9 -10.853 -9.479 5.763 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.829 -9.573 4.771 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.903 -8.454 5.278 1.00 19.70 C ATOM 0 H THR A 9 -9.318 -7.665 6.165 1.00 18.33 H new ATOM 0 HA THR A 9 -11.251 -9.021 7.846 1.00 19.24 H new ATOM 0 HB THR A 9 -11.246 -10.491 5.862 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.229 -9.817 3.910 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.224 -8.712 4.269 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.763 -8.469 5.948 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.463 -7.457 5.275 1.00 19.70 H new ATOM 161 N GLY A 10 -8.346 -9.801 8.060 1.00 19.43 N ATOM 162 CA GLY A 10 -7.320 -10.578 8.666 1.00 18.74 C ATOM 163 C GLY A 10 -6.233 -10.936 7.646 1.00 17.62 C ATOM 164 O GLY A 10 -5.147 -11.175 8.146 1.00 19.74 O ATOM 0 H GLY A 10 -8.075 -8.821 7.980 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.879 -10.023 9.494 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.747 -11.490 9.084 1.00 18.74 H new ATOM 168 N LYS A 11 -6.505 -10.966 6.354 1.00 13.56 N ATOM 169 CA LYS A 11 -5.538 -11.420 5.376 1.00 11.91 C ATOM 170 C LYS A 11 -4.216 -10.658 5.406 1.00 10.18 C ATOM 171 O LYS A 11 -4.143 -9.458 5.671 1.00 9.10 O ATOM 172 CB LYS A 11 -6.119 -11.484 3.965 1.00 13.43 C ATOM 173 CG LYS A 11 -7.429 -12.311 3.852 1.00 16.69 C ATOM 174 CD LYS A 11 -7.730 -12.768 2.417 1.00 17.92 C ATOM 175 CE LYS A 11 -7.938 -11.725 1.299 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.144 -12.389 0.010 1.00 21.93 N ATOM 0 H LYS A 11 -7.399 -10.677 5.956 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.298 -12.439 5.679 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.312 -10.469 3.618 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.373 -11.913 3.296 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.356 -13.186 4.498 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.263 -11.712 4.219 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.911 -13.417 2.106 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.628 -13.384 2.456 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.799 -11.098 1.534 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.071 -11.067 1.241 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.130 -11.681 -0.751 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.385 -13.083 -0.148 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.063 -12.876 0.013 1.00 21.93 H new ATOM 190 N THR A 12 -3.116 -11.342 5.101 1.00 9.63 N ATOM 191 CA THR A 12 -1.833 -10.743 4.787 1.00 9.85 C ATOM 192 C THR A 12 -1.575 -10.942 3.322 1.00 11.66 C ATOM 193 O THR A 12 -1.489 -12.026 2.761 1.00 12.33 O ATOM 194 CB THR A 12 -0.673 -11.439 5.582 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.937 -11.229 6.956 1.00 10.91 O ATOM 196 CG2 THR A 12 0.685 -10.694 5.276 1.00 9.63 C ATOM 0 H THR A 12 -3.099 -12.361 5.066 1.00 9.63 H new ATOM 0 HA THR A 12 -1.861 -9.687 5.057 1.00 9.85 H new ATOM 0 HB THR A 12 -0.608 -12.493 5.314 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.234 -11.651 7.492 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.495 -11.173 5.826 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.894 -10.742 4.207 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.605 -9.651 5.583 1.00 9.63 H new ATOM 204 N ILE A 13 -1.469 -9.836 2.555 1.00 10.42 N ATOM 205 CA ILE A 13 -1.262 -9.814 1.130 1.00 11.84 C ATOM 206 C ILE A 13 0.191 -9.711 0.826 1.00 10.55 C ATOM 207 O ILE A 13 0.974 -8.915 1.342 1.00 11.92 O ATOM 208 CB ILE A 13 -1.945 -8.600 0.431 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.312 -8.379 1.085 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.158 -9.047 -1.059 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.348 -7.562 0.299 1.00 16.46 C ATOM 0 H ILE A 13 -1.531 -8.899 2.953 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.700 -10.739 0.756 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.358 -7.685 0.504 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.745 -9.356 1.298 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.151 -7.886 2.044 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.636 -8.241 -1.616 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.193 -9.278 -1.511 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.793 -9.933 -1.086 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.267 -7.485 0.880 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.955 -6.564 0.108 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.558 -8.057 -0.649 1.00 16.46 H new ATOM 223 N THR A 14 0.655 -10.612 0.020 1.00 9.39 N ATOM 224 CA THR A 14 2.092 -10.733 -0.332 1.00 9.63 C ATOM 225 C THR A 14 2.269 -10.067 -1.676 1.00 11.20 C ATOM 226 O THR A 14 1.729 -10.558 -2.684 1.00 11.63 O ATOM 227 CB THR A 14 2.571 -12.208 -0.413 1.00 10.38 C ATOM 228 OG1 THR A 14 2.554 -12.817 0.895 1.00 16.30 O ATOM 229 CG2 THR A 14 3.986 -12.259 -0.980 1.00 11.66 C ATOM 0 H THR A 14 0.064 -11.308 -0.434 1.00 9.39 H new ATOM 0 HA THR A 14 2.691 -10.261 0.447 1.00 9.63 H new ATOM 0 HB THR A 14 1.894 -12.759 -1.067 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.857 -13.747 0.827 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.319 -13.296 -1.035 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.994 -11.822 -1.978 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.658 -11.696 -0.332 1.00 11.66 H new ATOM 237 N LEU A 15 2.997 -8.830 -1.715 1.00 8.29 N ATOM 238 CA LEU A 15 3.070 -8.093 -2.960 1.00 9.03 C ATOM 239 C LEU A 15 4.491 -8.078 -3.517 1.00 8.59 C ATOM 240 O LEU A 15 5.441 -7.816 -2.769 1.00 7.79 O ATOM 241 CB LEU A 15 2.752 -6.591 -2.777 1.00 11.08 C ATOM 242 CG LEU A 15 1.319 -6.337 -2.218 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.133 -4.792 -2.262 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.192 -6.908 -3.122 1.00 15.27 C ATOM 0 H LEU A 15 3.483 -8.408 -0.924 1.00 8.29 H new ATOM 0 HA LEU A 15 2.354 -8.595 -3.611 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.484 -6.150 -2.100 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.858 -6.083 -3.736 1.00 11.08 H new ATOM 0 HG LEU A 15 1.244 -6.805 -1.236 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.144 -4.534 -1.883 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.894 -4.316 -1.644 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.230 -4.443 -3.290 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.778 -6.695 -2.672 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.245 -6.444 -4.107 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.317 -7.986 -3.222 1.00 15.27 H new ATOM 256 N GLU A 16 4.610 -8.321 -4.858 1.00 11.04 N ATOM 257 CA GLU A 16 5.881 -8.188 -5.610 1.00 11.50 C ATOM 258 C GLU A 16 6.210 -6.719 -5.929 1.00 10.13 C ATOM 259 O GLU A 16 5.505 -6.026 -6.706 1.00 9.83 O ATOM 260 CB GLU A 16 5.934 -9.075 -6.858 1.00 17.22 C ATOM 261 CG GLU A 16 7.247 -9.081 -7.638 1.00 23.33 C ATOM 262 CD GLU A 16 8.444 -9.588 -6.897 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.535 -10.794 -6.675 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.365 -8.800 -6.551 1.00 28.86 O ATOM 0 H GLU A 16 3.824 -8.613 -5.439 1.00 11.04 H new ATOM 0 HA GLU A 16 6.664 -8.556 -4.948 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.712 -10.099 -6.558 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.138 -8.761 -7.533 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.113 -9.689 -8.533 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.454 -8.064 -7.972 1.00 23.33 H new ATOM 271 N VAL A 17 7.328 -6.138 -5.366 1.00 8.99 N ATOM 272 CA VAL A 17 7.703 -4.768 -5.458 1.00 8.85 C ATOM 273 C VAL A 17 9.150 -4.575 -5.849 1.00 8.04 C ATOM 274 O VAL A 17 9.973 -5.501 -5.853 1.00 8.99 O ATOM 275 CB VAL A 17 7.461 -4.058 -4.169 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.983 -4.132 -3.854 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.238 -4.570 -2.929 1.00 10.54 C ATOM 0 H VAL A 17 7.993 -6.683 -4.818 1.00 8.99 H new ATOM 0 HA VAL A 17 7.078 -4.347 -6.245 1.00 8.85 H new ATOM 0 HB VAL A 17 7.831 -3.047 -4.339 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.785 -3.618 -2.914 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.416 -3.656 -4.654 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.681 -5.176 -3.767 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.972 -3.969 -2.059 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.980 -5.612 -2.743 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.309 -4.489 -3.112 1.00 10.54 H new ATOM 287 N GLU A 18 9.558 -3.338 -6.226 1.00 7.29 N ATOM 288 CA GLU A 18 10.946 -2.891 -6.294 1.00 7.08 C ATOM 289 C GLU A 18 11.035 -1.561 -5.504 1.00 6.45 C ATOM 290 O GLU A 18 10.019 -0.850 -5.434 1.00 5.28 O ATOM 291 CB GLU A 18 11.597 -2.864 -7.713 1.00 10.28 C ATOM 292 CG GLU A 18 10.670 -2.000 -8.606 1.00 12.65 C ATOM 293 CD GLU A 18 11.143 -1.976 -10.077 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.739 -2.979 -10.705 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.856 -1.027 -10.525 1.00 14.33 O ATOM 0 H GLU A 18 8.897 -2.610 -6.497 1.00 7.29 H new ATOM 0 HA GLU A 18 11.578 -3.646 -5.827 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.600 -2.440 -7.671 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.693 -3.873 -8.115 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.653 -2.390 -8.558 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.639 -0.982 -8.218 1.00 12.65 H new ATOM 302 N PRO A 19 12.172 -1.153 -4.963 1.00 7.24 N ATOM 303 CA PRO A 19 12.365 0.153 -4.336 1.00 7.07 C ATOM 304 C PRO A 19 11.948 1.401 -5.116 1.00 6.65 C ATOM 305 O PRO A 19 11.677 2.447 -4.504 1.00 6.37 O ATOM 306 CB PRO A 19 13.851 0.251 -3.983 1.00 7.61 C ATOM 307 CG PRO A 19 14.223 -1.221 -3.711 1.00 8.16 C ATOM 308 CD PRO A 19 13.335 -2.008 -4.709 1.00 7.49 C ATOM 0 HA PRO A 19 11.684 0.169 -3.485 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.436 0.674 -4.800 1.00 7.61 H new ATOM 0 HB3 PRO A 19 14.021 0.881 -3.110 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.283 -1.406 -3.885 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.015 -1.504 -2.679 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.875 -2.219 -5.632 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.032 -2.968 -4.291 1.00 7.49 H new ATOM 316 N SER A 20 11.829 1.368 -6.457 1.00 6.80 N ATOM 317 CA SER A 20 11.540 2.572 -7.179 1.00 6.28 C ATOM 318 C SER A 20 10.196 2.494 -7.878 1.00 8.45 C ATOM 319 O SER A 20 9.879 3.291 -8.789 1.00 7.26 O ATOM 320 CB SER A 20 12.529 2.645 -8.338 1.00 8.57 C ATOM 321 OG SER A 20 13.881 2.917 -7.924 1.00 11.13 O ATOM 0 H SER A 20 11.930 0.531 -7.031 1.00 6.80 H new ATOM 0 HA SER A 20 11.575 3.402 -6.474 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.507 1.702 -8.883 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.207 3.422 -9.032 1.00 8.57 H new ATOM 0 HG SER A 20 14.464 2.949 -8.711 1.00 11.13 H new ATOM 327 N ASP A 21 9.386 1.533 -7.378 1.00 7.50 N ATOM 328 CA ASP A 21 7.981 1.478 -7.705 1.00 7.70 C ATOM 329 C ASP A 21 7.290 2.593 -6.880 1.00 7.08 C ATOM 330 O ASP A 21 7.719 2.958 -5.797 1.00 8.11 O ATOM 331 CB ASP A 21 7.464 0.056 -7.401 1.00 11.00 C ATOM 332 CG ASP A 21 6.304 -0.184 -8.344 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.240 0.444 -9.462 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.536 -1.158 -8.099 1.00 14.36 O ATOM 0 H ASP A 21 9.701 0.795 -6.749 1.00 7.50 H new ATOM 0 HA ASP A 21 7.769 1.659 -8.759 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.249 -0.684 -7.554 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.145 -0.028 -6.362 1.00 11.00 H new ATOM 339 N THR A 22 6.213 3.072 -7.478 1.00 5.37 N ATOM 340 CA THR A 22 5.376 4.134 -6.883 1.00 6.01 C ATOM 341 C THR A 22 4.315 3.619 -5.953 1.00 8.01 C ATOM 342 O THR A 22 3.931 2.479 -6.028 1.00 8.11 O ATOM 343 CB THR A 22 4.711 5.088 -7.915 1.00 8.92 C ATOM 344 OG1 THR A 22 3.784 4.407 -8.762 1.00 10.22 O ATOM 345 CG2 THR A 22 5.815 5.583 -8.843 1.00 9.65 C ATOM 0 H THR A 22 5.883 2.746 -8.387 1.00 5.37 H new ATOM 0 HA THR A 22 6.104 4.708 -6.310 1.00 6.01 H new ATOM 0 HB THR A 22 4.195 5.874 -7.363 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.389 5.044 -9.393 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.390 6.258 -9.586 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.570 6.112 -8.261 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.275 4.733 -9.346 1.00 9.65 H new ATOM 353 N ILE A 23 3.834 4.420 -5.017 1.00 8.32 N ATOM 354 CA ILE A 23 2.750 4.104 -4.077 1.00 9.92 C ATOM 355 C ILE A 23 1.429 3.750 -4.822 1.00 10.01 C ATOM 356 O ILE A 23 0.785 2.778 -4.563 1.00 8.71 O ATOM 357 CB ILE A 23 2.589 5.211 -3.043 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.795 5.352 -2.051 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.316 4.934 -2.199 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.188 4.139 -1.212 1.00 12.30 C ATOM 0 H ILE A 23 4.203 5.361 -4.878 1.00 8.32 H new ATOM 0 HA ILE A 23 3.022 3.205 -3.524 1.00 9.92 H new ATOM 0 HB ILE A 23 2.527 6.140 -3.610 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.668 5.653 -2.630 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.569 6.170 -1.367 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.193 5.722 -1.456 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.444 4.912 -2.852 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.416 3.973 -1.695 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.037 4.395 -0.578 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.346 3.840 -0.588 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.462 3.315 -1.870 1.00 12.30 H new ATOM 372 N GLU A 24 1.207 4.508 -5.894 1.00 9.54 N ATOM 373 CA GLU A 24 0.134 4.209 -6.856 1.00 11.81 C ATOM 374 C GLU A 24 0.298 2.846 -7.508 1.00 11.14 C ATOM 375 O GLU A 24 -0.651 2.102 -7.660 1.00 10.62 O ATOM 376 CB GLU A 24 0.245 5.320 -7.909 1.00 19.24 C ATOM 377 CG GLU A 24 -0.786 5.237 -9.042 1.00 27.76 C ATOM 378 CD GLU A 24 -1.015 6.594 -9.680 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.056 7.137 -10.200 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.162 7.147 -9.574 1.00 36.51 O ATOM 0 H GLU A 24 1.755 5.337 -6.124 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.838 4.177 -6.363 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.141 6.284 -7.412 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.244 5.291 -8.343 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.443 4.531 -9.798 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.728 4.853 -8.652 1.00 27.76 H new ATOM 387 N ASN A 25 1.501 2.404 -7.866 1.00 9.43 N ATOM 388 CA ASN A 25 1.664 1.104 -8.429 1.00 10.96 C ATOM 389 C ASN A 25 1.548 -0.065 -7.406 1.00 9.68 C ATOM 390 O ASN A 25 1.373 -1.229 -7.846 1.00 9.33 O ATOM 391 CB ASN A 25 3.044 0.796 -9.083 1.00 16.78 C ATOM 392 CG ASN A 25 3.192 1.566 -10.392 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.254 2.123 -10.983 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.418 1.658 -10.928 1.00 24.70 N ATOM 0 H ASN A 25 2.364 2.940 -7.769 1.00 9.43 H new ATOM 0 HA ASN A 25 0.857 1.146 -9.160 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.848 1.070 -8.399 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.135 -0.274 -9.270 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.557 2.175 -11.796 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.211 1.211 -10.467 1.00 24.70 H new ATOM 401 N VAL A 26 1.621 0.201 -6.062 1.00 6.52 N ATOM 402 CA VAL A 26 1.406 -0.764 -5.006 1.00 5.53 C ATOM 403 C VAL A 26 -0.146 -0.918 -4.921 1.00 4.42 C ATOM 404 O VAL A 26 -0.695 -2.001 -4.788 1.00 3.40 O ATOM 405 CB VAL A 26 2.106 -0.382 -3.696 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.659 -1.355 -2.539 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.677 -0.421 -3.941 1.00 8.12 C ATOM 0 H VAL A 26 1.840 1.131 -5.706 1.00 6.52 H new ATOM 0 HA VAL A 26 1.865 -1.730 -5.217 1.00 5.53 H new ATOM 0 HB VAL A 26 1.826 0.625 -3.386 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.162 -1.075 -1.613 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.580 -1.285 -2.401 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.926 -2.379 -2.801 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.196 -0.152 -3.021 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.973 -1.425 -4.244 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.940 0.288 -4.726 1.00 8.12 H new ATOM 417 N LYS A 27 -0.894 0.197 -4.990 1.00 2.64 N ATOM 418 CA LYS A 27 -2.323 0.184 -5.031 1.00 4.14 C ATOM 419 C LYS A 27 -2.921 -0.381 -6.245 1.00 5.58 C ATOM 420 O LYS A 27 -3.936 -1.089 -6.143 1.00 4.11 O ATOM 421 CB LYS A 27 -2.852 1.625 -4.753 1.00 3.97 C ATOM 422 CG LYS A 27 -2.328 2.285 -3.483 1.00 7.45 C ATOM 423 CD LYS A 27 -3.062 3.582 -3.272 1.00 9.02 C ATOM 424 CE LYS A 27 -2.788 4.327 -1.921 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.476 5.637 -1.908 1.00 15.47 N ATOM 0 H LYS A 27 -0.494 1.135 -5.018 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.641 -0.506 -4.249 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.595 2.257 -5.603 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.940 1.589 -4.700 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.473 1.626 -2.627 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.257 2.467 -3.567 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.808 4.255 -4.091 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.132 3.384 -3.342 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.134 3.718 -1.086 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.716 4.470 -1.788 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.025 6.259 -1.207 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.411 6.072 -2.850 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.476 5.501 -1.657 1.00 15.47 H new ATOM 439 N ALA A 28 -2.228 -0.304 -7.387 1.00 6.61 N ATOM 440 CA ALA A 28 -2.563 -1.069 -8.599 1.00 7.74 C ATOM 441 C ALA A 28 -2.414 -2.554 -8.396 1.00 9.17 C ATOM 442 O ALA A 28 -3.318 -3.316 -8.799 1.00 11.45 O ATOM 443 CB ALA A 28 -1.620 -0.604 -9.751 1.00 7.68 C ATOM 0 H ALA A 28 -1.411 0.296 -7.499 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.608 -0.880 -8.845 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.853 -1.160 -10.659 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.764 0.461 -9.931 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.583 -0.788 -9.469 1.00 7.68 H new ATOM 449 N LYS A 29 -1.364 -3.075 -7.769 1.00 8.96 N ATOM 450 CA LYS A 29 -1.166 -4.435 -7.437 1.00 7.90 C ATOM 451 C LYS A 29 -2.227 -5.029 -6.545 1.00 6.92 C ATOM 452 O LYS A 29 -2.579 -6.186 -6.677 1.00 6.87 O ATOM 453 CB LYS A 29 0.199 -4.645 -6.759 1.00 10.28 C ATOM 454 CG LYS A 29 1.415 -4.394 -7.695 1.00 14.94 C ATOM 455 CD LYS A 29 2.596 -4.165 -6.855 1.00 19.69 C ATOM 456 CE LYS A 29 3.839 -3.723 -7.603 1.00 22.63 C ATOM 457 NZ LYS A 29 3.535 -2.765 -8.595 1.00 24.98 N ATOM 0 H LYS A 29 -0.584 -2.491 -7.468 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.218 -4.953 -8.395 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.272 -3.980 -5.899 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.251 -5.665 -6.378 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.574 -5.250 -8.350 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.231 -3.532 -8.336 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.351 -3.409 -6.109 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.823 -5.084 -6.315 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.558 -3.304 -6.899 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.313 -4.589 -8.065 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.367 -2.164 -8.763 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.274 -3.250 -9.477 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.740 -2.175 -8.276 1.00 24.98 H new ATOM 471 N ILE A 30 -2.631 -4.257 -5.490 1.00 4.57 N ATOM 472 CA ILE A 30 -3.696 -4.665 -4.579 1.00 5.58 C ATOM 473 C ILE A 30 -5.041 -4.861 -5.188 1.00 7.26 C ATOM 474 O ILE A 30 -5.786 -5.827 -4.966 1.00 9.46 O ATOM 475 CB ILE A 30 -3.813 -3.873 -3.249 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.541 -4.044 -2.384 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.985 -4.239 -2.423 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.457 -3.239 -1.098 1.00 2.00 C ATOM 0 H ILE A 30 -2.221 -3.350 -5.267 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.322 -5.654 -4.314 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.939 -2.836 -3.560 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.447 -5.099 -2.128 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.678 -3.788 -2.999 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.990 -3.639 -1.513 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.899 -4.053 -2.986 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.930 -5.295 -2.161 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.515 -3.456 -0.594 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.507 -2.175 -1.331 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.288 -3.507 -0.446 1.00 2.00 H new ATOM 490 N GLN A 31 -5.306 -3.936 -6.153 1.00 7.06 N ATOM 491 CA GLN A 31 -6.487 -3.908 -7.026 1.00 8.67 C ATOM 492 C GLN A 31 -6.540 -5.124 -7.896 1.00 10.90 C ATOM 493 O GLN A 31 -7.598 -5.686 -7.975 1.00 9.63 O ATOM 494 CB GLN A 31 -6.464 -2.626 -7.920 1.00 9.12 C ATOM 495 CG GLN A 31 -7.684 -2.628 -8.811 1.00 10.76 C ATOM 496 CD GLN A 31 -7.776 -1.297 -9.608 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.724 -0.682 -9.795 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.980 -0.899 -10.095 1.00 14.76 N ATOM 0 H GLN A 31 -4.668 -3.163 -6.342 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.374 -3.895 -6.393 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.454 -1.732 -7.297 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.557 -2.604 -8.524 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.636 -3.470 -9.502 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.582 -2.761 -8.208 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.815 -1.453 -9.905 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.049 -0.046 -10.651 1.00 14.76 H new ATOM 507 N ASP A 32 -5.411 -5.545 -8.443 1.00 10.93 N ATOM 508 CA ASP A 32 -5.283 -6.843 -9.038 1.00 14.01 C ATOM 509 C ASP A 32 -5.531 -8.076 -8.170 1.00 14.04 C ATOM 510 O ASP A 32 -6.149 -8.974 -8.656 1.00 13.39 O ATOM 511 CB ASP A 32 -3.829 -6.984 -9.658 1.00 18.01 C ATOM 512 CG ASP A 32 -3.693 -8.058 -10.710 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.949 -7.764 -11.912 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.395 -9.241 -10.390 1.00 25.17 O ATOM 0 H ASP A 32 -4.560 -4.984 -8.481 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.097 -6.855 -9.763 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.541 -6.028 -10.095 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.124 -7.192 -8.853 1.00 18.01 H new ATOM 519 N LYS A 33 -5.078 -8.099 -6.902 1.00 14.22 N ATOM 520 CA LYS A 33 -5.434 -9.236 -5.955 1.00 14.00 C ATOM 521 C LYS A 33 -6.933 -9.256 -5.573 1.00 12.37 C ATOM 522 O LYS A 33 -7.617 -10.314 -5.634 1.00 12.17 O ATOM 523 CB LYS A 33 -4.634 -9.061 -4.648 1.00 18.62 C ATOM 524 CG LYS A 33 -3.075 -9.109 -4.889 1.00 24.00 C ATOM 525 CD LYS A 33 -2.535 -10.546 -4.940 1.00 27.61 C ATOM 526 CE LYS A 33 -1.021 -10.571 -5.028 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.493 -11.900 -4.829 1.00 30.06 N ATOM 0 H LYS A 33 -4.481 -7.379 -6.495 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.197 -10.165 -6.473 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.899 -8.109 -4.187 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.915 -9.845 -3.945 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.839 -8.601 -5.824 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.570 -8.562 -4.093 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.857 -11.088 -4.051 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.959 -11.064 -5.800 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.708 -10.198 -6.003 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.602 -9.898 -4.280 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.545 -11.875 -4.897 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.770 -12.247 -3.889 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.872 -12.537 -5.558 1.00 30.06 H new ATOM 541 N GLU A 34 -7.477 -8.124 -5.193 1.00 10.11 N ATOM 542 CA GLU A 34 -8.706 -8.014 -4.490 1.00 10.07 C ATOM 543 C GLU A 34 -9.800 -7.251 -5.150 1.00 9.32 C ATOM 544 O GLU A 34 -10.944 -7.256 -4.682 1.00 11.61 O ATOM 545 CB GLU A 34 -8.415 -7.381 -3.074 1.00 14.77 C ATOM 546 CG GLU A 34 -7.546 -8.250 -2.148 1.00 18.75 C ATOM 547 CD GLU A 34 -8.393 -9.468 -1.757 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.527 -9.217 -1.269 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.945 -10.616 -1.909 1.00 25.19 O ATOM 0 H GLU A 34 -7.044 -7.220 -5.381 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.089 -9.033 -4.440 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.922 -6.419 -3.215 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.365 -7.182 -2.578 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.633 -8.561 -2.655 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.244 -7.689 -1.263 1.00 18.75 H new ATOM 556 N GLY A 35 -9.572 -6.470 -6.213 1.00 7.22 N ATOM 557 CA GLY A 35 -10.668 -5.750 -6.840 1.00 6.29 C ATOM 558 C GLY A 35 -11.060 -4.416 -6.302 1.00 6.93 C ATOM 559 O GLY A 35 -11.796 -3.662 -6.908 1.00 7.41 O ATOM 0 H GLY A 35 -8.658 -6.327 -6.643 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.416 -5.619 -7.892 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.548 -6.392 -6.801 1.00 6.29 H new ATOM 563 N ILE A 36 -10.439 -4.100 -5.181 1.00 5.86 N ATOM 564 CA ILE A 36 -10.547 -2.846 -4.432 1.00 6.07 C ATOM 565 C ILE A 36 -9.955 -1.681 -5.150 1.00 6.36 C ATOM 566 O ILE A 36 -8.720 -1.650 -5.333 1.00 6.18 O ATOM 567 CB ILE A 36 -9.746 -2.903 -3.083 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.403 -3.997 -2.155 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.758 -1.579 -2.302 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.504 -4.317 -0.920 1.00 9.49 C ATOM 0 H ILE A 36 -9.798 -4.754 -4.732 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.620 -2.724 -4.286 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.712 -3.129 -3.345 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.378 -3.649 -1.815 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.572 -4.908 -2.729 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.185 -1.694 -1.382 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.312 -0.793 -2.911 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.786 -1.310 -2.058 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.989 -5.074 -0.304 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.538 -4.690 -1.260 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.357 -3.411 -0.332 1.00 9.49 H new ATOM 582 N PRO A 37 -10.725 -0.692 -5.699 1.00 8.65 N ATOM 583 CA PRO A 37 -10.127 0.436 -6.427 1.00 9.18 C ATOM 584 C PRO A 37 -9.239 1.277 -5.617 1.00 9.85 C ATOM 585 O PRO A 37 -9.340 1.256 -4.386 1.00 8.51 O ATOM 586 CB PRO A 37 -11.375 1.111 -7.100 1.00 11.42 C ATOM 587 CG PRO A 37 -12.509 0.831 -6.141 1.00 9.27 C ATOM 588 CD PRO A 37 -12.157 -0.562 -5.610 1.00 8.33 C ATOM 0 HA PRO A 37 -9.398 0.148 -7.184 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.224 2.182 -7.236 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.573 0.689 -8.085 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.556 1.570 -5.341 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.477 0.842 -6.643 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.492 -0.679 -4.580 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.653 -1.336 -6.196 1.00 8.33 H new ATOM 596 N PRO A 38 -8.239 1.989 -6.104 1.00 8.71 N ATOM 597 CA PRO A 38 -7.132 2.541 -5.239 1.00 9.08 C ATOM 598 C PRO A 38 -7.708 3.709 -4.408 1.00 9.28 C ATOM 599 O PRO A 38 -7.208 4.051 -3.317 1.00 6.50 O ATOM 600 CB PRO A 38 -6.082 2.922 -6.207 1.00 10.31 C ATOM 601 CG PRO A 38 -6.838 3.288 -7.512 1.00 10.81 C ATOM 602 CD PRO A 38 -7.896 2.164 -7.508 1.00 12.00 C ATOM 0 HA PRO A 38 -6.712 1.853 -4.506 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.498 3.767 -5.841 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.385 2.101 -6.374 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.282 4.283 -7.476 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.196 3.257 -8.392 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.770 2.440 -8.098 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.499 1.244 -7.937 1.00 12.00 H new ATOM 610 N ASP A 39 -8.845 4.179 -4.897 1.00 11.20 N ATOM 611 CA ASP A 39 -9.731 5.168 -4.380 1.00 14.96 C ATOM 612 C ASP A 39 -10.127 4.803 -2.947 1.00 13.99 C ATOM 613 O ASP A 39 -10.240 5.703 -2.128 1.00 13.75 O ATOM 614 CB ASP A 39 -10.989 5.245 -5.334 1.00 24.16 C ATOM 615 CG ASP A 39 -10.586 5.625 -6.790 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.940 6.688 -6.997 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.727 4.744 -7.663 1.00 34.22 O ATOM 0 H ASP A 39 -9.198 3.816 -5.782 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.252 6.146 -4.346 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.502 4.283 -5.338 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.694 5.981 -4.948 1.00 24.16 H new ATOM 622 N GLN A 40 -10.325 3.457 -2.587 1.00 11.60 N ATOM 623 CA GLN A 40 -10.717 3.106 -1.245 1.00 10.76 C ATOM 624 C GLN A 40 -9.448 2.813 -0.350 1.00 8.01 C ATOM 625 O GLN A 40 -9.578 2.733 0.880 1.00 8.96 O ATOM 626 CB GLN A 40 -11.543 1.834 -1.029 1.00 11.14 C ATOM 627 CG GLN A 40 -12.831 1.773 -1.962 1.00 14.85 C ATOM 628 CD GLN A 40 -13.722 0.532 -1.651 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.709 -0.397 -2.483 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.490 0.561 -0.600 1.00 18.16 N ATOM 0 H GLN A 40 -10.211 2.667 -3.222 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.321 3.977 -0.993 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.918 0.962 -1.222 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.852 1.779 0.015 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.417 2.682 -1.830 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.521 1.743 -3.006 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.449 1.354 0.040 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.133 -0.209 -0.417 1.00 18.16 H new ATOM 639 N GLN A 41 -8.267 2.681 -0.980 1.00 6.52 N ATOM 640 CA GLN A 41 -7.057 2.173 -0.306 1.00 3.87 C ATOM 641 C GLN A 41 -6.212 3.204 0.312 1.00 4.79 C ATOM 642 O GLN A 41 -5.570 4.000 -0.408 1.00 6.34 O ATOM 643 CB GLN A 41 -6.086 1.386 -1.227 1.00 4.20 C ATOM 644 CG GLN A 41 -6.677 0.115 -1.958 1.00 3.20 C ATOM 645 CD GLN A 41 -5.681 -0.534 -2.847 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.488 -0.544 -2.614 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.205 -1.056 -3.974 1.00 7.13 N ATOM 0 H GLN A 41 -8.124 2.921 -1.961 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.512 1.529 0.446 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.707 2.070 -1.986 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.232 1.069 -0.629 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.020 -0.604 -1.214 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.548 0.407 -2.544 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.213 -1.026 -4.129 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.594 -1.481 -4.671 1.00 7.13 H new ATOM 656 N ARG A 42 -6.198 3.239 1.688 1.00 5.73 N ATOM 657 CA ARG A 42 -5.277 4.082 2.427 1.00 6.97 C ATOM 658 C ARG A 42 -4.238 3.254 3.098 1.00 7.15 C ATOM 659 O ARG A 42 -4.492 2.309 3.881 1.00 7.33 O ATOM 660 CB ARG A 42 -5.891 4.789 3.631 1.00 13.23 C ATOM 661 CG ARG A 42 -7.122 5.670 3.404 1.00 21.27 C ATOM 662 CD ARG A 42 -7.666 6.234 4.743 1.00 26.14 C ATOM 663 NE ARG A 42 -9.015 6.951 4.529 1.00 32.26 N ATOM 664 CZ ARG A 42 -10.134 6.650 5.163 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.138 5.767 6.173 1.00 35.30 N ATOM 666 NH2 ARG A 42 -11.283 7.216 4.811 1.00 36.39 N ATOM 0 H ARG A 42 -6.822 2.686 2.275 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.925 4.781 1.669 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.158 4.027 4.364 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.117 5.409 4.083 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.865 6.493 2.738 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.900 5.090 2.908 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.790 5.423 5.460 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.943 6.929 5.170 1.00 26.14 H new ATOM 0 HE ARG A 42 -9.045 7.711 3.850 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.269 5.318 6.461 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.010 5.545 6.653 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -11.306 7.889 4.045 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -12.142 6.977 5.306 1.00 36.39 H new ATOM 680 N LEU A 43 -3.001 3.587 2.767 1.00 4.65 N ATOM 681 CA LEU A 43 -1.955 2.685 3.288 1.00 3.51 C ATOM 682 C LEU A 43 -1.051 3.386 4.315 1.00 5.56 C ATOM 683 O LEU A 43 -0.577 4.467 4.016 1.00 4.19 O ATOM 684 CB LEU A 43 -0.982 2.280 2.169 1.00 3.74 C ATOM 685 CG LEU A 43 -1.586 1.445 0.962 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.670 1.347 -0.264 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.069 0.036 1.379 1.00 6.41 C ATOM 0 H LEU A 43 -2.702 4.383 2.203 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.493 1.842 3.721 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.534 3.187 1.764 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.175 1.698 2.615 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.455 2.031 0.661 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.162 0.760 -1.040 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.462 2.347 -0.644 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.266 0.864 0.018 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.471 -0.483 0.509 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.231 -0.531 1.785 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.846 0.128 2.138 1.00 6.41 H new ATOM 699 N ILE A 44 -0.772 2.638 5.418 1.00 4.58 N ATOM 700 CA ILE A 44 -0.096 3.274 6.567 1.00 5.55 C ATOM 701 C ILE A 44 1.140 2.431 6.749 1.00 5.46 C ATOM 702 O ILE A 44 1.122 1.181 6.648 1.00 6.04 O ATOM 703 CB ILE A 44 -0.912 3.122 7.838 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.335 3.643 7.727 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.231 3.965 8.932 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.445 5.158 7.455 1.00 13.90 C ATOM 0 H ILE A 44 -0.993 1.648 5.529 1.00 4.58 H new ATOM 0 HA ILE A 44 0.075 4.336 6.391 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.959 2.055 8.053 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.843 3.106 6.926 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.865 3.414 8.651 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.794 3.878 9.861 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.786 3.605 9.088 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.203 5.009 8.622 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.496 5.441 7.391 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.970 5.709 8.267 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.948 5.396 6.515 1.00 13.90 H new ATOM 718 N PHE A 45 2.270 3.110 6.913 1.00 6.75 N ATOM 719 CA PHE A 45 3.549 2.495 7.253 1.00 4.70 C ATOM 720 C PHE A 45 4.171 3.123 8.573 1.00 6.34 C ATOM 721 O PHE A 45 4.644 4.254 8.570 1.00 5.45 O ATOM 722 CB PHE A 45 4.669 2.546 6.149 1.00 5.51 C ATOM 723 CG PHE A 45 5.992 1.949 6.409 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.056 0.625 6.829 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.200 2.589 6.060 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.242 -0.064 6.901 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.422 1.959 6.211 1.00 6.64 C ATOM 728 CZ PHE A 45 8.429 0.654 6.697 1.00 6.84 C ATOM 0 H PHE A 45 2.324 4.123 6.811 1.00 6.75 H new ATOM 0 HA PHE A 45 3.270 1.449 7.381 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.267 2.065 5.257 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.831 3.595 5.900 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.142 0.121 7.108 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.170 3.594 5.666 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.260 -1.124 7.108 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.343 2.464 5.960 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.374 0.182 6.923 1.00 6.84 H new ATOM 738 N ALA A 46 4.237 2.355 9.683 1.00 6.53 N ATOM 739 CA ALA A 46 4.832 2.723 10.955 1.00 7.15 C ATOM 740 C ALA A 46 4.260 4.063 11.445 1.00 9.00 C ATOM 741 O ALA A 46 4.934 4.986 11.870 1.00 11.15 O ATOM 742 CB ALA A 46 6.354 2.732 11.009 1.00 8.99 C ATOM 0 H ALA A 46 3.850 1.411 9.700 1.00 6.53 H new ATOM 0 HA ALA A 46 4.551 1.915 11.631 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.681 3.022 12.008 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.732 1.736 10.778 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.740 3.445 10.280 1.00 8.99 H new ATOM 748 N GLY A 47 2.910 4.218 11.298 1.00 9.35 N ATOM 749 CA GLY A 47 2.210 5.415 11.708 1.00 11.68 C ATOM 750 C GLY A 47 2.161 6.576 10.741 1.00 11.14 C ATOM 751 O GLY A 47 1.443 7.574 10.878 1.00 13.93 O ATOM 0 H GLY A 47 2.305 3.505 10.891 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.184 5.136 11.947 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.667 5.769 12.632 1.00 11.68 H new ATOM 755 N LYS A 48 2.826 6.429 9.562 1.00 10.47 N ATOM 756 CA LYS A 48 2.836 7.365 8.452 1.00 8.82 C ATOM 757 C LYS A 48 1.953 6.953 7.307 1.00 7.68 C ATOM 758 O LYS A 48 2.185 5.939 6.732 1.00 6.47 O ATOM 759 CB LYS A 48 4.293 7.520 7.985 1.00 9.74 C ATOM 760 CG LYS A 48 4.575 8.460 6.840 1.00 14.14 C ATOM 761 CD LYS A 48 4.124 9.971 6.997 1.00 16.32 C ATOM 762 CE LYS A 48 4.510 10.906 5.873 1.00 20.04 C ATOM 763 NZ LYS A 48 4.005 12.301 6.101 1.00 23.92 N ATOM 0 H LYS A 48 3.393 5.603 9.372 1.00 10.47 H new ATOM 0 HA LYS A 48 2.427 8.313 8.801 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.884 7.849 8.840 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.660 6.533 7.704 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.649 8.449 6.654 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.093 8.057 5.949 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.040 9.995 7.105 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.545 10.359 7.925 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.595 10.925 5.775 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.111 10.526 4.932 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.292 12.908 5.307 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.967 12.288 6.169 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.405 12.675 6.985 1.00 23.92 H new ATOM 777 N GLN A 49 0.918 7.765 6.955 1.00 8.89 N ATOM 778 CA GLN A 49 0.019 7.542 5.812 1.00 7.18 C ATOM 779 C GLN A 49 0.844 7.775 4.512 1.00 8.23 C ATOM 780 O GLN A 49 1.582 8.745 4.435 1.00 9.70 O ATOM 781 CB GLN A 49 -1.113 8.564 5.915 1.00 11.67 C ATOM 782 CG GLN A 49 -2.353 8.186 4.978 1.00 15.82 C ATOM 783 CD GLN A 49 -3.651 8.617 5.672 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.440 7.841 6.241 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.932 9.959 5.567 1.00 20.67 N ATOM 0 H GLN A 49 0.689 8.610 7.478 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.397 6.534 5.802 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.448 8.630 6.950 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.737 9.549 5.638 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.260 8.682 4.012 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.367 7.113 4.786 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.275 10.582 5.098 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.797 10.331 5.959 1.00 20.67 H new ATOM 794 N LEU A 50 0.800 6.927 3.478 1.00 6.51 N ATOM 795 CA LEU A 50 1.657 7.042 2.269 1.00 7.41 C ATOM 796 C LEU A 50 0.877 7.802 1.113 1.00 8.27 C ATOM 797 O LEU A 50 -0.341 7.906 1.158 1.00 8.34 O ATOM 798 CB LEU A 50 2.116 5.676 1.817 1.00 7.13 C ATOM 799 CG LEU A 50 2.636 4.735 2.920 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.146 3.367 2.455 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.719 5.406 3.812 1.00 9.11 C ATOM 0 H LEU A 50 0.165 6.129 3.447 1.00 6.51 H new ATOM 0 HA LEU A 50 2.543 7.626 2.517 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.285 5.185 1.311 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.906 5.807 1.078 1.00 7.13 H new ATOM 0 HG LEU A 50 1.735 4.540 3.501 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.486 2.793 3.317 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.340 2.829 1.955 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.975 3.504 1.761 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.052 4.700 4.573 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.568 5.701 3.195 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.298 6.288 4.294 1.00 9.11 H new ATOM 813 N GLU A 51 1.546 8.415 0.150 1.00 9.43 N ATOM 814 CA GLU A 51 0.908 9.198 -0.885 1.00 11.90 C ATOM 815 C GLU A 51 1.308 8.774 -2.285 1.00 11.49 C ATOM 816 O GLU A 51 2.472 8.585 -2.666 1.00 9.88 O ATOM 817 CB GLU A 51 1.151 10.686 -0.716 1.00 16.56 C ATOM 818 CG GLU A 51 0.475 11.529 -1.794 1.00 26.06 C ATOM 819 CD GLU A 51 0.922 12.949 -1.565 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.175 13.182 -1.706 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.088 13.835 -1.259 1.00 32.13 O ATOM 0 H GLU A 51 2.562 8.379 0.068 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.158 9.001 -0.767 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.787 10.999 0.263 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.224 10.877 -0.733 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.760 11.188 -2.789 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.610 11.448 -1.727 1.00 26.06 H new ATOM 828 N ASP A 52 0.264 8.511 -3.104 1.00 12.71 N ATOM 829 CA ASP A 52 0.281 7.920 -4.473 1.00 16.56 C ATOM 830 C ASP A 52 1.458 8.133 -5.344 1.00 15.83 C ATOM 831 O ASP A 52 2.085 7.225 -5.895 1.00 17.21 O ATOM 832 CB ASP A 52 -0.998 8.405 -5.166 1.00 21.05 C ATOM 833 CG ASP A 52 -2.262 8.091 -4.341 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.558 6.913 -4.119 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.939 9.062 -3.862 1.00 25.82 O ATOM 0 H ASP A 52 -0.689 8.721 -2.807 1.00 12.71 H new ATOM 0 HA ASP A 52 0.344 6.843 -4.319 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.933 9.480 -5.333 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.079 7.934 -6.146 1.00 21.05 H new ATOM 840 N GLY A 53 1.835 9.389 -5.515 1.00 15.00 N ATOM 841 CA GLY A 53 2.784 9.904 -6.552 1.00 11.77 C ATOM 842 C GLY A 53 4.198 9.838 -6.117 1.00 11.10 C ATOM 843 O GLY A 53 5.089 10.215 -6.860 1.00 11.25 O ATOM 0 H GLY A 53 1.483 10.135 -4.915 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.663 9.326 -7.468 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.529 10.937 -6.790 1.00 11.77 H new ATOM 847 N ARG A 54 4.454 9.283 -4.907 1.00 8.53 N ATOM 848 CA ARG A 54 5.720 9.093 -4.247 1.00 9.05 C ATOM 849 C ARG A 54 6.202 7.633 -4.500 1.00 8.96 C ATOM 850 O ARG A 54 5.499 6.829 -5.116 1.00 11.60 O ATOM 851 CB ARG A 54 5.649 9.383 -2.697 1.00 7.97 C ATOM 852 CG ARG A 54 4.977 10.728 -2.389 1.00 9.62 C ATOM 853 CD ARG A 54 5.911 11.938 -2.534 1.00 12.20 C ATOM 854 NE ARG A 54 4.919 13.052 -2.283 1.00 18.23 N ATOM 855 CZ ARG A 54 5.156 14.386 -2.306 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.337 14.878 -2.677 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.160 15.226 -2.006 1.00 23.38 N ATOM 0 H ARG A 54 3.688 8.931 -4.333 1.00 8.53 H new ATOM 0 HA ARG A 54 6.428 9.809 -4.663 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.098 8.582 -2.204 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.657 9.379 -2.282 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.124 10.858 -3.055 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.586 10.703 -1.372 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.723 11.929 -1.807 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.368 11.999 -3.522 1.00 12.20 H new ATOM 0 HE ARG A 54 3.963 12.767 -2.072 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.089 14.246 -2.953 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.489 15.887 -2.686 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.239 14.860 -1.765 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.321 16.233 -2.018 1.00 23.38 H new ATOM 871 N THR A 55 7.416 7.233 -4.071 1.00 9.05 N ATOM 872 CA THR A 55 8.009 5.849 -4.290 1.00 9.03 C ATOM 873 C THR A 55 8.146 5.129 -2.999 1.00 8.15 C ATOM 874 O THR A 55 7.928 5.637 -1.892 1.00 5.91 O ATOM 875 CB THR A 55 9.361 5.771 -5.089 1.00 11.15 C ATOM 876 OG1 THR A 55 10.420 6.520 -4.483 1.00 11.95 O ATOM 877 CG2 THR A 55 9.125 6.232 -6.501 1.00 11.71 C ATOM 0 H THR A 55 8.040 7.852 -3.553 1.00 9.05 H new ATOM 0 HA THR A 55 7.283 5.365 -4.943 1.00 9.03 H new ATOM 0 HB THR A 55 9.689 4.731 -5.080 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.049 7.312 -4.040 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.059 6.181 -7.061 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.382 5.590 -6.974 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.763 7.260 -6.492 1.00 11.71 H new ATOM 885 N LEU A 56 8.603 3.851 -3.018 1.00 6.91 N ATOM 886 CA LEU A 56 8.909 3.026 -1.793 1.00 8.29 C ATOM 887 C LEU A 56 10.117 3.673 -1.150 1.00 8.05 C ATOM 888 O LEU A 56 10.091 3.965 0.060 1.00 10.17 O ATOM 889 CB LEU A 56 9.222 1.523 -2.145 1.00 6.60 C ATOM 890 CG LEU A 56 8.125 0.530 -2.034 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.221 0.663 -3.231 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.748 -0.881 -1.830 1.00 8.64 C ATOM 0 H LEU A 56 8.775 3.347 -3.888 1.00 6.91 H new ATOM 0 HA LEU A 56 8.045 3.004 -1.128 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.595 1.492 -3.169 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.035 1.193 -1.499 1.00 6.60 H new ATOM 0 HG LEU A 56 7.491 0.706 -1.165 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.411 -0.063 -3.158 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.804 1.670 -3.262 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.792 0.479 -4.141 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.952 -1.621 -1.747 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.383 -1.125 -2.682 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.346 -0.887 -0.918 1.00 8.64 H new ATOM 904 N SER A 57 11.133 4.133 -1.953 1.00 8.92 N ATOM 905 CA SER A 57 12.389 4.788 -1.590 1.00 9.00 C ATOM 906 C SER A 57 12.292 5.966 -0.696 1.00 9.44 C ATOM 907 O SER A 57 13.005 6.098 0.312 1.00 10.91 O ATOM 908 CB SER A 57 13.091 5.221 -2.899 1.00 10.32 C ATOM 909 OG SER A 57 14.438 5.644 -2.773 1.00 13.59 O ATOM 0 H SER A 57 11.062 4.033 -2.966 1.00 8.92 H new ATOM 0 HA SER A 57 12.944 4.049 -1.011 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.058 4.386 -3.599 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.516 6.033 -3.344 1.00 10.32 H new ATOM 0 HG SER A 57 14.787 5.893 -3.654 1.00 13.59 H new ATOM 915 N ASP A 58 11.259 6.833 -0.972 1.00 9.11 N ATOM 916 CA ASP A 58 10.898 8.025 -0.157 1.00 7.91 C ATOM 917 C ASP A 58 10.515 7.705 1.306 1.00 9.12 C ATOM 918 O ASP A 58 10.664 8.496 2.242 1.00 8.61 O ATOM 919 CB ASP A 58 9.664 8.653 -0.848 1.00 8.41 C ATOM 920 CG ASP A 58 10.074 9.317 -2.169 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.975 10.196 -2.197 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.502 8.852 -3.204 1.00 11.70 O ATOM 0 H ASP A 58 10.651 6.711 -1.782 1.00 9.11 H new ATOM 0 HA ASP A 58 11.769 8.678 -0.105 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.914 7.885 -1.037 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.206 9.391 -0.189 1.00 8.41 H new ATOM 927 N TYR A 59 10.011 6.479 1.485 1.00 7.97 N ATOM 928 CA TYR A 59 9.316 6.141 2.712 1.00 8.45 C ATOM 929 C TYR A 59 10.120 5.168 3.515 1.00 10.98 C ATOM 930 O TYR A 59 9.688 4.849 4.611 1.00 12.95 O ATOM 931 CB TYR A 59 7.938 5.375 2.447 1.00 7.94 C ATOM 932 CG TYR A 59 6.825 6.378 2.156 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.455 7.335 3.159 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.342 6.556 0.843 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.570 8.410 2.868 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.416 7.519 0.558 1.00 6.52 C ATOM 937 CZ TYR A 59 5.034 8.420 1.583 1.00 6.76 C ATOM 938 OH TYR A 59 4.241 9.517 1.214 1.00 7.63 O ATOM 0 H TYR A 59 10.074 5.723 0.804 1.00 7.97 H new ATOM 0 HA TYR A 59 9.152 7.093 3.217 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.050 4.691 1.606 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.676 4.772 3.316 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.857 7.237 4.157 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.710 5.921 0.051 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.329 9.170 3.597 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.984 7.592 -0.429 1.00 6.52 H new ATOM 0 HH TYR A 59 4.808 10.212 0.819 1.00 7.63 H new ATOM 948 N ASN A 60 11.251 4.650 2.999 1.00 12.38 N ATOM 949 CA ASN A 60 12.106 3.689 3.683 1.00 13.94 C ATOM 950 C ASN A 60 11.474 2.305 3.853 1.00 14.16 C ATOM 951 O ASN A 60 11.360 1.771 4.977 1.00 14.26 O ATOM 952 CB ASN A 60 12.639 4.214 5.063 1.00 19.23 C ATOM 953 CG ASN A 60 13.315 5.555 4.803 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.120 5.644 3.881 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.003 6.561 5.648 1.00 24.09 N ATOM 0 H ASN A 60 11.595 4.901 2.072 1.00 12.38 H new ATOM 0 HA ASN A 60 12.957 3.573 3.012 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.821 4.327 5.774 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.344 3.506 5.498 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.448 7.473 5.542 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.322 6.409 6.392 1.00 24.09 H new ATOM 962 N ILE A 61 11.073 1.741 2.698 1.00 11.08 N ATOM 963 CA ILE A 61 10.353 0.512 2.578 1.00 11.78 C ATOM 964 C ILE A 61 11.268 -0.501 1.969 1.00 13.74 C ATOM 965 O ILE A 61 11.854 -0.265 0.940 1.00 14.60 O ATOM 966 CB ILE A 61 8.992 0.467 1.845 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.059 1.626 2.395 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.344 -0.892 2.036 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.730 1.773 1.713 1.00 11.42 C ATOM 0 H ILE A 61 11.264 2.171 1.793 1.00 11.08 H new ATOM 0 HA ILE A 61 10.049 0.315 3.606 1.00 11.78 H new ATOM 0 HB ILE A 61 9.144 0.620 0.777 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.884 1.453 3.457 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.596 2.571 2.310 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.386 -0.915 1.516 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.995 -1.666 1.630 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.185 -1.073 3.099 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.176 2.594 2.169 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.885 1.983 0.655 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.162 0.849 1.819 1.00 11.42 H new ATOM 981 N GLN A 62 11.427 -1.670 2.638 1.00 13.97 N ATOM 982 CA GLN A 62 12.520 -2.576 2.408 1.00 15.52 C ATOM 983 C GLN A 62 11.880 -3.902 2.194 1.00 13.94 C ATOM 984 O GLN A 62 10.615 -4.060 2.093 1.00 12.15 O ATOM 985 CB GLN A 62 13.552 -2.613 3.600 1.00 19.53 C ATOM 986 CG GLN A 62 14.062 -1.188 4.018 1.00 26.38 C ATOM 987 CD GLN A 62 14.855 -0.444 2.929 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.568 0.724 2.781 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.917 -1.076 2.359 1.00 32.71 N ATOM 0 H GLN A 62 10.778 -1.991 3.356 1.00 13.97 H new ATOM 0 HA GLN A 62 13.115 -2.260 1.551 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.086 -3.093 4.461 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.405 -3.229 3.315 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.204 -0.579 4.303 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.691 -1.287 4.903 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.080 -2.066 2.542 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.550 -0.560 1.749 1.00 32.71 H new ATOM 998 N LYS A 63 12.649 -4.982 2.114 1.00 11.73 N ATOM 999 CA LYS A 63 12.141 -6.310 2.040 1.00 11.97 C ATOM 1000 C LYS A 63 11.286 -6.671 3.208 1.00 10.41 C ATOM 1001 O LYS A 63 11.583 -6.412 4.358 1.00 9.59 O ATOM 1002 CB LYS A 63 13.315 -7.297 1.700 1.00 13.73 C ATOM 1003 CG LYS A 63 14.474 -7.277 2.708 1.00 16.98 C ATOM 1004 CD LYS A 63 15.512 -8.347 2.255 1.00 20.19 C ATOM 1005 CE LYS A 63 16.614 -8.615 3.318 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.619 -9.592 2.777 1.00 25.97 N ATOM 0 H LYS A 63 13.668 -4.936 2.100 1.00 11.73 H new ATOM 0 HA LYS A 63 11.433 -6.393 1.215 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.917 -8.310 1.643 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.705 -7.052 0.712 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.933 -6.289 2.744 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.112 -7.496 3.712 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.992 -9.280 2.036 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.982 -8.019 1.328 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.109 -7.681 3.585 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.164 -9.009 4.229 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.353 -9.767 3.493 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.143 -10.487 2.544 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.058 -9.200 1.920 1.00 25.97 H new ATOM 1020 N GLU A 64 10.119 -7.303 2.934 1.00 10.04 N ATOM 1021 CA GLU A 64 9.292 -8.041 3.879 1.00 10.94 C ATOM 1022 C GLU A 64 8.635 -7.057 4.887 1.00 9.74 C ATOM 1023 O GLU A 64 8.362 -7.364 6.044 1.00 9.42 O ATOM 1024 CB GLU A 64 10.029 -9.283 4.482 1.00 18.31 C ATOM 1025 CG GLU A 64 10.550 -10.267 3.352 1.00 24.16 C ATOM 1026 CD GLU A 64 11.293 -11.400 3.960 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.741 -11.381 5.143 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.482 -12.470 3.230 1.00 32.61 O ATOM 0 H GLU A 64 9.721 -7.303 1.995 1.00 10.04 H new ATOM 0 HA GLU A 64 8.458 -8.510 3.357 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.871 -8.947 5.087 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.352 -9.819 5.147 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.708 -10.645 2.772 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.197 -9.728 2.660 1.00 24.16 H new ATOM 1035 N SER A 65 8.625 -5.791 4.563 1.00 6.85 N ATOM 1036 CA SER A 65 7.994 -4.729 5.455 1.00 6.90 C ATOM 1037 C SER A 65 6.503 -4.717 5.437 1.00 4.72 C ATOM 1038 O SER A 65 5.918 -5.131 4.414 1.00 3.91 O ATOM 1039 CB SER A 65 8.345 -3.277 5.023 1.00 7.28 C ATOM 1040 OG SER A 65 9.685 -3.068 4.676 1.00 10.56 O ATOM 0 H SER A 65 9.032 -5.425 3.703 1.00 6.85 H new ATOM 0 HA SER A 65 8.395 -5.002 6.431 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.719 -3.006 4.173 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.087 -2.600 5.837 1.00 7.28 H new ATOM 0 HG SER A 65 9.890 -3.559 3.853 1.00 10.56 H new ATOM 1046 N THR A 66 5.833 -4.311 6.501 1.00 4.48 N ATOM 1047 CA THR A 66 4.384 -4.489 6.579 1.00 3.80 C ATOM 1048 C THR A 66 3.744 -3.103 6.445 1.00 4.60 C ATOM 1049 O THR A 66 4.064 -2.154 7.133 1.00 5.33 O ATOM 1050 CB THR A 66 3.912 -5.220 7.877 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.310 -6.547 8.058 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.364 -5.251 8.000 1.00 3.40 C ATOM 0 H THR A 66 6.256 -3.862 7.314 1.00 4.48 H new ATOM 0 HA THR A 66 4.065 -5.145 5.769 1.00 3.80 H new ATOM 0 HB THR A 66 4.409 -4.611 8.632 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.951 -6.884 8.905 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.082 -5.769 8.917 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.981 -4.231 8.027 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.941 -5.775 7.143 1.00 3.40 H new ATOM 1060 N LEU A 67 2.701 -3.083 5.643 1.00 4.17 N ATOM 1061 CA LEU A 67 1.864 -1.938 5.345 1.00 3.85 C ATOM 1062 C LEU A 67 0.457 -2.221 5.792 1.00 3.80 C ATOM 1063 O LEU A 67 -0.092 -3.307 5.603 1.00 5.54 O ATOM 1064 CB LEU A 67 1.870 -1.662 3.814 1.00 7.18 C ATOM 1065 CG LEU A 67 2.787 -0.461 3.395 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.319 -0.601 3.818 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.760 -0.310 1.866 1.00 11.66 C ATOM 0 H LEU A 67 2.394 -3.921 5.149 1.00 4.17 H new ATOM 0 HA LEU A 67 2.251 -1.064 5.870 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.202 -2.560 3.293 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.850 -1.461 3.486 1.00 7.18 H new ATOM 0 HG LEU A 67 2.379 0.401 3.923 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.870 0.278 3.484 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.391 -0.684 4.902 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.744 -1.493 3.357 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.397 0.524 1.571 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.126 -1.227 1.403 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.738 -0.120 1.537 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.231 -1.235 6.421 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.593 -1.470 6.912 1.00 4.17 C ATOM 1081 C HIS A 68 -2.574 -0.795 6.049 1.00 5.32 C ATOM 1082 O HIS A 68 -2.531 0.416 5.858 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.816 -0.932 8.387 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.744 -1.344 9.318 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.550 -0.938 9.296 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.745 -2.382 10.258 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.275 -1.651 10.187 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.527 -2.552 10.845 1.00 16.30 N ATOM 0 H HIS A 68 0.131 -0.297 6.592 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.729 -2.551 6.902 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.874 0.156 8.366 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.774 -1.295 8.760 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.611 -2.978 10.503 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.333 -1.512 10.351 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.808 -3.197 11.584 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.560 -1.604 5.536 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.535 -1.080 4.598 1.00 3.97 C ATOM 1098 C LEU A 69 -5.847 -0.788 5.236 1.00 5.07 C ATOM 1099 O LEU A 69 -6.534 -1.688 5.790 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.596 -2.084 3.466 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.795 -2.011 2.540 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.863 -0.629 1.886 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.808 -3.042 1.452 1.00 9.96 C ATOM 0 H LEU A 69 -3.675 -2.591 5.767 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.240 -0.104 4.212 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.696 -1.968 2.863 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.564 -3.084 3.899 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.659 -2.207 3.176 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.726 -0.583 1.222 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.958 0.135 2.658 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.954 -0.453 1.311 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.701 -2.914 0.840 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.921 -2.925 0.829 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.812 -4.038 1.895 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.258 0.488 5.203 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.467 0.951 5.845 1.00 6.26 C ATOM 1117 C VAL A 70 -8.298 1.475 4.722 1.00 9.22 C ATOM 1118 O VAL A 70 -7.909 2.285 3.872 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.251 2.069 6.837 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.546 2.397 7.579 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.181 1.613 7.905 1.00 8.54 C ATOM 0 H VAL A 70 -5.744 1.225 4.720 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.914 0.137 6.415 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.913 2.950 6.291 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.365 3.205 8.288 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.307 2.706 6.863 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.891 1.514 8.116 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.020 2.416 8.625 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.542 0.726 8.426 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.241 1.382 7.403 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.545 0.994 4.688 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.472 1.126 3.587 1.00 16.06 C ATOM 1133 C LEU A 71 -11.480 2.155 3.778 1.00 18.09 C ATOM 1134 O LEU A 71 -12.351 1.981 4.582 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.123 -0.211 3.258 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.101 -1.275 2.816 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.871 -2.591 2.668 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.389 -0.923 1.429 1.00 19.57 C ATOM 0 H LEU A 71 -9.944 0.478 5.473 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.871 1.453 2.739 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.663 -0.573 4.133 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.858 -0.068 2.466 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.308 -1.332 3.561 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.187 -3.380 2.355 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.320 -2.859 3.624 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.654 -2.472 1.920 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.681 -1.711 1.173 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.141 -0.842 0.644 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.859 0.025 1.522 1.00 19.57 H new