USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -65:sc= 0.783 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.08 K(o=1.9,f=-5!) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0215) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.47 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -46:sc= 1.24 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0933 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00475 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.52 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0.444 (180deg=0.41) USER MOD Single : A 31 GLN : amide:sc=-0.00521 X(o=-0.0052,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00253 K(o=-0.0025,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= 0.339 K(o=0.34,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0836) USER MOD Single : A 49 GLN : amide:sc= -0.0395 K(o=-0.04,f=-0.97) USER MOD Single : A 59 TYR OH : rot 80:sc=-0.00155 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00264 K(o=-0.0026,f=-0.75) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00876) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.765 K(o=0.76,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.204 -7.334 -5.343 1.00 9.67 N ATOM 2 CA MET A 1 11.242 -7.769 -3.924 1.00 10.38 C ATOM 3 C MET A 1 9.935 -7.930 -3.258 1.00 9.62 C ATOM 4 O MET A 1 8.927 -7.497 -3.786 1.00 9.62 O ATOM 5 CB MET A 1 12.198 -6.905 -3.084 1.00 13.77 C ATOM 6 CG MET A 1 11.645 -5.511 -2.839 1.00 16.29 C ATOM 7 SD MET A 1 12.553 -4.661 -1.514 1.00 17.17 S ATOM 8 CE MET A 1 11.081 -3.624 -1.083 1.00 16.11 C ATOM 0 H1 MET A 1 12.172 -7.303 -5.723 1.00 9.67 H new ATOM 0 H2 MET A 1 10.636 -8.006 -5.897 1.00 9.67 H new ATOM 0 H3 MET A 1 10.778 -6.387 -5.405 1.00 9.67 H new ATOM 0 HA MET A 1 11.636 -8.784 -3.981 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.382 -7.394 -2.128 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.159 -6.829 -3.593 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.707 -4.927 -3.757 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.590 -5.578 -2.574 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.354 -2.910 -0.306 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.744 -3.085 -1.968 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.278 -4.265 -0.721 1.00 16.11 H new ATOM 20 N GLN A 2 9.961 -8.419 -2.020 1.00 9.27 N ATOM 21 CA GLN A 2 8.678 -8.815 -1.383 1.00 9.07 C ATOM 22 C GLN A 2 8.278 -7.807 -0.326 1.00 8.72 C ATOM 23 O GLN A 2 9.158 -7.280 0.322 1.00 8.22 O ATOM 24 CB GLN A 2 8.947 -10.183 -0.674 1.00 14.46 C ATOM 25 CG GLN A 2 7.630 -10.902 -0.157 1.00 17.01 C ATOM 26 CD GLN A 2 8.043 -12.220 0.569 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.687 -12.163 1.607 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.809 -13.416 -0.005 1.00 19.49 N ATOM 0 H GLN A 2 10.798 -8.551 -1.453 1.00 9.27 H new ATOM 0 HA GLN A 2 7.884 -8.874 -2.127 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.464 -10.846 -1.367 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.617 -10.019 0.170 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.083 -10.249 0.523 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.964 -11.121 -0.992 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.272 -13.470 -0.871 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.168 -14.268 0.426 1.00 19.49 H new ATOM 37 N ILE A 3 6.998 -7.549 -0.203 1.00 5.87 N ATOM 38 CA ILE A 3 6.392 -6.820 0.896 1.00 5.07 C ATOM 39 C ILE A 3 5.020 -7.438 1.289 1.00 4.01 C ATOM 40 O ILE A 3 4.415 -8.232 0.543 1.00 4.61 O ATOM 41 CB ILE A 3 6.169 -5.331 0.753 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.133 -4.984 -0.424 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.558 -4.664 0.438 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.884 -3.538 -0.797 1.00 10.83 C ATOM 0 H ILE A 3 6.315 -7.854 -0.897 1.00 5.87 H new ATOM 0 HA ILE A 3 7.167 -6.928 1.655 1.00 5.07 H new ATOM 0 HB ILE A 3 5.742 -4.950 1.681 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.475 -5.498 -1.322 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.172 -5.421 -0.153 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.428 -3.587 0.329 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.252 -4.865 1.254 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.958 -5.077 -0.488 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.158 -3.491 -1.609 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.496 -3.001 0.068 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.819 -3.079 -1.119 1.00 10.83 H new ATOM 56 N PHE A 4 4.564 -7.073 2.498 1.00 4.55 N ATOM 57 CA PHE A 4 3.357 -7.707 3.069 1.00 4.68 C ATOM 58 C PHE A 4 2.320 -6.638 3.413 1.00 5.30 C ATOM 59 O PHE A 4 2.693 -5.508 3.736 1.00 5.58 O ATOM 60 CB PHE A 4 3.698 -8.505 4.428 1.00 4.83 C ATOM 61 CG PHE A 4 4.442 -9.736 4.073 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.831 -10.935 3.795 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.872 -9.709 4.063 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.473 -12.113 3.558 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.598 -10.853 3.754 1.00 10.61 C ATOM 66 CZ PHE A 4 5.881 -12.036 3.530 1.00 8.90 C ATOM 0 H PHE A 4 4.996 -6.362 3.088 1.00 4.55 H new ATOM 0 HA PHE A 4 2.974 -8.402 2.322 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.293 -7.881 5.095 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.781 -8.756 4.961 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.752 -10.944 3.762 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.392 -8.792 4.298 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.941 -13.040 3.403 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.676 -10.831 3.689 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.437 -12.939 3.325 1.00 8.90 H new ATOM 76 N VAL A 5 1.020 -6.824 3.221 1.00 4.44 N ATOM 77 CA VAL A 5 -0.045 -5.831 3.379 1.00 3.87 C ATOM 78 C VAL A 5 -1.117 -6.450 4.226 1.00 4.93 C ATOM 79 O VAL A 5 -1.798 -7.348 3.867 1.00 6.84 O ATOM 80 CB VAL A 5 -0.762 -5.249 2.080 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.823 -4.231 2.483 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.274 -4.679 1.157 1.00 9.13 C ATOM 0 H VAL A 5 0.654 -7.731 2.932 1.00 4.44 H new ATOM 0 HA VAL A 5 0.473 -4.971 3.803 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.279 -6.043 1.540 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.308 -3.838 1.590 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.567 -4.713 3.118 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.354 -3.413 3.030 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.212 -4.280 0.267 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.814 -3.880 1.665 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.974 -5.463 0.867 1.00 9.13 H new ATOM 92 N LYS A 6 -1.232 -5.876 5.409 1.00 6.04 N ATOM 93 CA LYS A 6 -2.162 -6.270 6.435 1.00 6.12 C ATOM 94 C LYS A 6 -3.477 -5.552 6.175 1.00 6.57 C ATOM 95 O LYS A 6 -3.522 -4.394 5.845 1.00 5.76 O ATOM 96 CB LYS A 6 -1.623 -5.965 7.930 1.00 7.45 C ATOM 97 CG LYS A 6 -0.535 -6.969 8.321 1.00 11.12 C ATOM 98 CD LYS A 6 -0.128 -6.895 9.787 1.00 14.54 C ATOM 99 CE LYS A 6 0.737 -7.982 10.346 1.00 18.84 C ATOM 100 NZ LYS A 6 0.082 -9.264 10.509 1.00 20.55 N ATOM 0 H LYS A 6 -0.650 -5.086 5.687 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.294 -7.351 6.388 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.226 -4.951 7.980 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.449 -6.020 8.639 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.888 -7.977 8.102 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.344 -6.798 7.700 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.390 -5.948 9.939 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.040 -6.859 10.382 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.599 -8.112 9.692 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.118 -7.660 11.315 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.757 -9.951 10.900 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.724 -9.162 11.158 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.258 -9.600 9.585 1.00 20.55 H new ATOM 114 N THR A 7 -4.580 -6.273 6.286 1.00 7.41 N ATOM 115 CA THR A 7 -5.949 -5.789 6.030 1.00 7.48 C ATOM 116 C THR A 7 -6.803 -6.077 7.299 1.00 8.75 C ATOM 117 O THR A 7 -6.452 -6.870 8.151 1.00 8.58 O ATOM 118 CB THR A 7 -6.610 -6.447 4.774 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.020 -7.785 5.012 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.658 -6.445 3.629 1.00 9.17 C ATOM 0 H THR A 7 -4.558 -7.253 6.568 1.00 7.41 H new ATOM 0 HA THR A 7 -5.900 -4.721 5.817 1.00 7.48 H new ATOM 0 HB THR A 7 -7.494 -5.852 4.544 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.303 -8.270 5.472 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.131 -6.906 2.762 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.380 -5.419 3.388 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.765 -7.009 3.898 1.00 9.17 H new ATOM 128 N LEU A 8 -7.920 -5.302 7.449 1.00 9.84 N ATOM 129 CA LEU A 8 -8.803 -5.377 8.565 1.00 14.15 C ATOM 130 C LEU A 8 -10.069 -6.086 8.203 1.00 17.37 C ATOM 131 O LEU A 8 -10.947 -6.399 9.031 1.00 17.01 O ATOM 132 CB LEU A 8 -9.095 -3.914 9.101 1.00 16.63 C ATOM 133 CG LEU A 8 -7.869 -3.146 9.699 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.269 -1.682 9.849 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.348 -3.802 10.978 1.00 18.59 C ATOM 0 H LEU A 8 -8.202 -4.605 6.760 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.329 -5.956 9.358 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.504 -3.323 8.282 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.868 -3.976 9.867 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.012 -3.195 9.027 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.434 -1.117 10.265 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.532 -1.275 8.873 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.127 -1.606 10.517 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.498 -3.235 11.357 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.139 -3.815 11.728 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.036 -4.824 10.762 1.00 18.59 H new ATOM 147 N THR A 9 -10.174 -6.356 6.870 1.00 18.33 N ATOM 148 CA THR A 9 -11.250 -7.212 6.280 1.00 19.24 C ATOM 149 C THR A 9 -10.932 -8.667 6.158 1.00 19.48 C ATOM 150 O THR A 9 -11.764 -9.349 5.537 1.00 23.14 O ATOM 151 CB THR A 9 -11.653 -6.594 4.936 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.752 -6.764 3.796 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.907 -5.053 5.133 1.00 19.70 C ATOM 0 H THR A 9 -9.521 -5.990 6.177 1.00 18.33 H new ATOM 0 HA THR A 9 -12.083 -7.214 6.982 1.00 19.24 H new ATOM 0 HB THR A 9 -12.541 -7.163 4.661 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.134 -6.323 3.009 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.194 -4.607 4.181 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.707 -4.906 5.858 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.996 -4.578 5.496 1.00 19.70 H new ATOM 161 N GLY A 10 -9.815 -9.169 6.697 1.00 19.43 N ATOM 162 CA GLY A 10 -9.468 -10.629 6.840 1.00 18.74 C ATOM 163 C GLY A 10 -8.558 -11.174 5.757 1.00 17.62 C ATOM 164 O GLY A 10 -9.096 -11.656 4.755 1.00 19.74 O ATOM 0 H GLY A 10 -9.083 -8.562 7.068 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.990 -10.782 7.808 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -10.391 -11.209 6.845 1.00 18.74 H new ATOM 168 N LYS A 11 -7.167 -11.056 5.900 1.00 13.56 N ATOM 169 CA LYS A 11 -6.165 -11.300 4.836 1.00 11.91 C ATOM 170 C LYS A 11 -4.896 -10.514 5.183 1.00 10.18 C ATOM 171 O LYS A 11 -4.932 -9.366 5.627 1.00 9.10 O ATOM 172 CB LYS A 11 -6.665 -10.955 3.428 1.00 13.43 C ATOM 173 CG LYS A 11 -5.662 -11.403 2.320 1.00 16.69 C ATOM 174 CD LYS A 11 -6.361 -11.487 0.947 1.00 17.92 C ATOM 175 CE LYS A 11 -5.627 -11.951 -0.313 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.148 -13.326 -0.228 1.00 21.93 N ATOM 0 H LYS A 11 -6.738 -10.783 6.784 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.958 -12.370 4.805 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.629 -11.435 3.259 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.827 -9.880 3.355 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.832 -10.698 2.268 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.239 -12.374 2.577 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.219 -12.148 1.072 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.753 -10.493 0.733 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.295 -11.859 -1.169 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.780 -11.289 -0.496 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -4.661 -13.579 -1.111 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -4.487 -13.415 0.570 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -5.955 -13.966 -0.082 1.00 21.93 H new ATOM 190 N THR A 12 -3.689 -11.092 4.841 1.00 9.63 N ATOM 191 CA THR A 12 -2.452 -10.392 4.637 1.00 9.85 C ATOM 192 C THR A 12 -1.971 -10.642 3.211 1.00 11.66 C ATOM 193 O THR A 12 -1.700 -11.771 2.809 1.00 12.33 O ATOM 194 CB THR A 12 -1.335 -10.951 5.428 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.599 -10.753 6.816 1.00 10.91 O ATOM 196 CG2 THR A 12 0.074 -10.267 5.200 1.00 9.63 C ATOM 0 H THR A 12 -3.594 -12.098 4.705 1.00 9.63 H new ATOM 0 HA THR A 12 -2.663 -9.355 4.897 1.00 9.85 H new ATOM 0 HB THR A 12 -1.280 -11.991 5.106 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.862 -11.123 7.345 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.820 -10.753 5.828 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.361 -10.365 4.153 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.012 -9.211 5.462 1.00 9.63 H new ATOM 204 N ILE A 13 -1.867 -9.580 2.431 1.00 10.42 N ATOM 205 CA ILE A 13 -1.442 -9.764 1.010 1.00 11.84 C ATOM 206 C ILE A 13 0.043 -9.716 0.878 1.00 10.55 C ATOM 207 O ILE A 13 0.648 -8.788 1.363 1.00 11.92 O ATOM 208 CB ILE A 13 -1.973 -8.643 0.084 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.512 -8.323 0.448 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.003 -9.025 -1.371 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.048 -7.146 -0.393 1.00 16.46 C ATOM 0 H ILE A 13 -2.055 -8.619 2.715 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.848 -10.733 0.719 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.294 -7.804 0.238 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.123 -9.208 0.271 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.596 -8.085 1.508 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.386 -8.191 -1.958 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.994 -9.270 -1.704 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.650 -9.891 -1.506 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.087 -6.952 -0.127 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.451 -6.256 -0.195 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.985 -7.397 -1.452 1.00 16.46 H new ATOM 223 N THR A 14 0.604 -10.722 0.127 1.00 9.39 N ATOM 224 CA THR A 14 1.924 -10.653 -0.390 1.00 9.63 C ATOM 225 C THR A 14 1.961 -10.011 -1.770 1.00 11.20 C ATOM 226 O THR A 14 1.202 -10.332 -2.721 1.00 11.63 O ATOM 227 CB THR A 14 2.647 -11.947 -0.513 1.00 10.38 C ATOM 228 OG1 THR A 14 2.499 -12.662 0.685 1.00 16.30 O ATOM 229 CG2 THR A 14 4.132 -11.738 -0.720 1.00 11.66 C ATOM 0 H THR A 14 0.113 -11.584 -0.110 1.00 9.39 H new ATOM 0 HA THR A 14 2.431 -10.052 0.365 1.00 9.63 H new ATOM 0 HB THR A 14 2.231 -12.480 -1.368 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.153 -12.341 1.340 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.627 -12.705 -0.805 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.295 -11.165 -1.633 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.545 -11.193 0.129 1.00 11.66 H new ATOM 237 N LEU A 15 2.829 -9.008 -1.962 1.00 8.29 N ATOM 238 CA LEU A 15 3.026 -8.323 -3.195 1.00 9.03 C ATOM 239 C LEU A 15 4.494 -8.298 -3.540 1.00 8.59 C ATOM 240 O LEU A 15 5.421 -8.535 -2.730 1.00 7.79 O ATOM 241 CB LEU A 15 2.460 -6.885 -3.137 1.00 11.08 C ATOM 242 CG LEU A 15 0.980 -6.769 -2.767 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.782 -5.273 -2.403 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.012 -7.154 -3.931 1.00 15.27 C ATOM 0 H LEU A 15 3.427 -8.656 -1.214 1.00 8.29 H new ATOM 0 HA LEU A 15 2.485 -8.860 -3.974 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.042 -6.314 -2.414 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.610 -6.416 -4.109 1.00 11.08 H new ATOM 0 HG LEU A 15 0.743 -7.459 -1.957 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.258 -5.101 -2.124 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.430 -5.013 -1.566 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.034 -4.653 -3.263 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.020 -7.048 -3.596 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.187 -6.496 -4.782 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.193 -8.187 -4.228 1.00 15.27 H new ATOM 256 N GLU A 16 4.728 -7.982 -4.797 1.00 11.04 N ATOM 257 CA GLU A 16 5.961 -8.020 -5.539 1.00 11.50 C ATOM 258 C GLU A 16 6.180 -6.668 -6.070 1.00 10.13 C ATOM 259 O GLU A 16 5.310 -6.058 -6.679 1.00 9.83 O ATOM 260 CB GLU A 16 5.914 -9.046 -6.695 1.00 17.22 C ATOM 261 CG GLU A 16 7.225 -9.235 -7.517 1.00 23.33 C ATOM 262 CD GLU A 16 8.350 -9.764 -6.618 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.033 -10.717 -5.847 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.461 -9.193 -6.559 1.00 28.86 O ATOM 0 H GLU A 16 3.964 -7.654 -5.388 1.00 11.04 H new ATOM 0 HA GLU A 16 6.775 -8.332 -4.884 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.630 -10.013 -6.280 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.122 -8.749 -7.382 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.050 -9.930 -8.338 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.523 -8.285 -7.962 1.00 23.33 H new ATOM 271 N VAL A 17 7.355 -6.103 -5.728 1.00 8.99 N ATOM 272 CA VAL A 17 7.546 -4.693 -5.864 1.00 8.85 C ATOM 273 C VAL A 17 8.981 -4.376 -6.211 1.00 8.04 C ATOM 274 O VAL A 17 9.867 -5.170 -5.990 1.00 8.99 O ATOM 275 CB VAL A 17 7.239 -3.976 -4.550 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.757 -3.851 -4.272 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.965 -4.527 -3.292 1.00 10.54 C ATOM 0 H VAL A 17 8.159 -6.614 -5.364 1.00 8.99 H new ATOM 0 HA VAL A 17 6.875 -4.358 -6.655 1.00 8.85 H new ATOM 0 HB VAL A 17 7.655 -2.985 -4.729 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.607 -3.333 -3.325 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.283 -3.285 -5.074 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.312 -4.845 -4.216 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.673 -3.944 -2.419 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.689 -5.570 -3.140 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.043 -4.454 -3.433 1.00 10.54 H new ATOM 287 N GLU A 18 9.292 -3.118 -6.583 1.00 7.29 N ATOM 288 CA GLU A 18 10.628 -2.606 -6.702 1.00 7.08 C ATOM 289 C GLU A 18 10.883 -1.343 -5.914 1.00 6.45 C ATOM 290 O GLU A 18 9.884 -0.635 -5.677 1.00 5.28 O ATOM 291 CB GLU A 18 11.024 -2.224 -8.182 1.00 10.28 C ATOM 292 CG GLU A 18 11.023 -3.439 -9.113 1.00 12.65 C ATOM 293 CD GLU A 18 12.025 -4.484 -8.780 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.159 -4.212 -8.345 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.661 -5.674 -8.845 1.00 14.33 O ATOM 0 H GLU A 18 8.579 -2.425 -6.812 1.00 7.29 H new ATOM 0 HA GLU A 18 11.218 -3.439 -6.318 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.327 -1.477 -8.562 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.014 -1.767 -8.185 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.031 -3.890 -9.097 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.201 -3.097 -10.133 1.00 12.65 H new ATOM 302 N PRO A 19 12.089 -0.901 -5.470 1.00 7.24 N ATOM 303 CA PRO A 19 12.278 0.326 -4.795 1.00 7.07 C ATOM 304 C PRO A 19 11.902 1.592 -5.492 1.00 6.65 C ATOM 305 O PRO A 19 11.686 2.588 -4.836 1.00 6.37 O ATOM 306 CB PRO A 19 13.770 0.365 -4.497 1.00 7.61 C ATOM 307 CG PRO A 19 14.087 -1.115 -4.452 1.00 8.16 C ATOM 308 CD PRO A 19 13.301 -1.698 -5.562 1.00 7.49 C ATOM 0 HA PRO A 19 11.600 0.320 -3.942 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.333 0.885 -5.272 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.990 0.864 -3.553 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.154 -1.296 -4.583 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.805 -1.552 -3.494 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.798 -1.588 -6.526 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.110 -2.762 -5.422 1.00 7.49 H new ATOM 316 N SER A 20 11.778 1.509 -6.826 1.00 6.80 N ATOM 317 CA SER A 20 11.397 2.665 -7.614 1.00 6.28 C ATOM 318 C SER A 20 9.909 2.638 -7.977 1.00 8.45 C ATOM 319 O SER A 20 9.351 3.541 -8.645 1.00 7.26 O ATOM 320 CB SER A 20 12.265 2.761 -8.918 1.00 8.57 C ATOM 321 OG SER A 20 12.278 1.481 -9.512 1.00 11.13 O ATOM 0 H SER A 20 11.937 0.658 -7.366 1.00 6.80 H new ATOM 0 HA SER A 20 11.579 3.547 -7.000 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.847 3.498 -9.604 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.279 3.085 -8.681 1.00 8.57 H new ATOM 0 HG SER A 20 12.812 1.507 -10.333 1.00 11.13 H new ATOM 327 N ASP A 21 9.163 1.576 -7.617 1.00 7.50 N ATOM 328 CA ASP A 21 7.710 1.546 -7.791 1.00 7.70 C ATOM 329 C ASP A 21 7.117 2.581 -6.854 1.00 7.08 C ATOM 330 O ASP A 21 7.627 2.773 -5.748 1.00 8.11 O ATOM 331 CB ASP A 21 7.114 0.187 -7.398 1.00 11.00 C ATOM 332 CG ASP A 21 7.355 -0.942 -8.409 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.818 -0.608 -9.532 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.018 -2.109 -8.134 1.00 18.03 O ATOM 0 H ASP A 21 9.550 0.728 -7.203 1.00 7.50 H new ATOM 0 HA ASP A 21 7.484 1.739 -8.840 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.531 -0.111 -6.436 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.040 0.305 -7.257 1.00 11.00 H new ATOM 339 N THR A 22 5.997 3.186 -7.266 1.00 5.37 N ATOM 340 CA THR A 22 5.278 4.107 -6.445 1.00 6.01 C ATOM 341 C THR A 22 4.311 3.495 -5.564 1.00 8.01 C ATOM 342 O THR A 22 3.901 2.335 -5.720 1.00 8.11 O ATOM 343 CB THR A 22 4.557 5.194 -7.295 1.00 8.92 C ATOM 344 OG1 THR A 22 3.596 4.539 -8.096 1.00 10.22 O ATOM 345 CG2 THR A 22 5.507 5.935 -8.173 1.00 9.65 C ATOM 0 H THR A 22 5.580 3.035 -8.185 1.00 5.37 H new ATOM 0 HA THR A 22 6.048 4.560 -5.820 1.00 6.01 H new ATOM 0 HB THR A 22 4.097 5.922 -6.627 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.049 3.952 -8.737 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.962 6.684 -8.748 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.261 6.427 -7.559 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.993 5.237 -8.854 1.00 9.65 H new ATOM 353 N ILE A 23 3.779 4.290 -4.561 1.00 8.32 N ATOM 354 CA ILE A 23 2.714 3.872 -3.631 1.00 9.92 C ATOM 355 C ILE A 23 1.475 3.566 -4.417 1.00 10.01 C ATOM 356 O ILE A 23 0.911 2.517 -4.178 1.00 8.71 O ATOM 357 CB ILE A 23 2.503 4.986 -2.628 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.697 5.444 -1.863 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.281 4.702 -1.684 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.560 4.348 -1.245 1.00 12.30 C ATOM 0 H ILE A 23 4.098 5.244 -4.395 1.00 8.32 H new ATOM 0 HA ILE A 23 2.984 2.968 -3.085 1.00 9.92 H new ATOM 0 HB ILE A 23 2.275 5.842 -3.263 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.323 6.039 -2.528 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.360 6.106 -1.065 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.166 5.526 -0.980 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.374 4.605 -2.281 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.453 3.777 -1.134 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.398 4.800 -0.714 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.961 3.764 -0.547 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.939 3.696 -2.032 1.00 12.30 H new ATOM 372 N GLU A 24 1.195 4.325 -5.505 1.00 9.54 N ATOM 373 CA GLU A 24 0.204 3.979 -6.581 1.00 11.81 C ATOM 374 C GLU A 24 0.400 2.710 -7.351 1.00 11.14 C ATOM 375 O GLU A 24 -0.578 1.944 -7.593 1.00 10.62 O ATOM 376 CB GLU A 24 0.119 5.068 -7.612 1.00 19.24 C ATOM 377 CG GLU A 24 -1.257 5.241 -8.207 1.00 27.76 C ATOM 378 CD GLU A 24 -1.287 6.365 -9.248 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.077 5.997 -10.425 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.654 7.494 -8.939 1.00 36.51 O ATOM 0 H GLU A 24 1.658 5.218 -5.673 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.699 3.847 -5.984 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.429 6.009 -7.158 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.826 4.852 -8.413 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.573 4.307 -8.671 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.972 5.460 -7.414 1.00 27.76 H new ATOM 387 N ASN A 25 1.699 2.327 -7.698 1.00 9.43 N ATOM 388 CA ASN A 25 1.961 1.040 -8.175 1.00 10.96 C ATOM 389 C ASN A 25 1.561 -0.096 -7.167 1.00 9.68 C ATOM 390 O ASN A 25 0.904 -1.067 -7.548 1.00 9.33 O ATOM 391 CB ASN A 25 3.506 0.869 -8.523 1.00 16.78 C ATOM 392 CG ASN A 25 3.912 1.588 -9.815 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.844 2.392 -9.795 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.223 1.379 -10.907 1.00 24.70 N ATOM 0 H ASN A 25 2.516 2.934 -7.631 1.00 9.43 H new ATOM 0 HA ASN A 25 1.345 0.934 -9.068 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.104 1.253 -7.697 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.736 -0.192 -8.616 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.455 1.886 -11.761 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.454 0.709 -10.904 1.00 24.70 H new ATOM 401 N VAL A 26 1.797 0.054 -5.882 1.00 6.52 N ATOM 402 CA VAL A 26 1.405 -0.913 -4.880 1.00 5.53 C ATOM 403 C VAL A 26 -0.139 -1.010 -4.681 1.00 4.42 C ATOM 404 O VAL A 26 -0.675 -2.088 -4.668 1.00 3.40 O ATOM 405 CB VAL A 26 2.195 -0.745 -3.585 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.701 -1.725 -2.542 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.693 -0.925 -3.878 1.00 8.12 C ATOM 0 H VAL A 26 2.276 0.868 -5.497 1.00 6.52 H new ATOM 0 HA VAL A 26 1.681 -1.894 -5.268 1.00 5.53 H new ATOM 0 HB VAL A 26 2.045 0.257 -3.184 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.272 -1.596 -1.622 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.645 -1.542 -2.342 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.830 -2.743 -2.909 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.261 -0.806 -2.955 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.867 -1.921 -4.285 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.015 -0.176 -4.602 1.00 8.12 H new ATOM 417 N LYS A 27 -0.894 0.200 -4.719 1.00 2.64 N ATOM 418 CA LYS A 27 -2.329 0.218 -4.717 1.00 4.14 C ATOM 419 C LYS A 27 -3.030 -0.431 -5.928 1.00 5.58 C ATOM 420 O LYS A 27 -3.968 -1.200 -5.751 1.00 4.11 O ATOM 421 CB LYS A 27 -2.965 1.590 -4.517 1.00 3.97 C ATOM 422 CG LYS A 27 -2.409 2.236 -3.216 1.00 7.45 C ATOM 423 CD LYS A 27 -3.038 3.703 -3.050 1.00 9.02 C ATOM 424 CE LYS A 27 -2.791 4.253 -1.637 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.364 5.599 -1.578 1.00 15.47 N ATOM 0 H LYS A 27 -0.469 1.127 -4.750 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.501 -0.406 -3.840 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.751 2.230 -5.373 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.049 1.494 -4.453 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.659 1.619 -2.353 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.322 2.296 -3.260 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.600 4.376 -3.787 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.109 3.667 -3.248 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.252 3.608 -0.889 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.723 4.282 -1.419 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.878 6.151 -0.843 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.245 6.068 -2.499 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.377 5.535 -1.350 1.00 15.47 H new ATOM 439 N ALA A 28 -2.503 -0.280 -7.105 1.00 6.61 N ATOM 440 CA ALA A 28 -2.832 -1.048 -8.364 1.00 7.74 C ATOM 441 C ALA A 28 -2.667 -2.543 -8.300 1.00 9.17 C ATOM 442 O ALA A 28 -3.539 -3.271 -8.777 1.00 11.45 O ATOM 443 CB ALA A 28 -2.030 -0.535 -9.589 1.00 7.68 C ATOM 0 H ALA A 28 -1.778 0.419 -7.269 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.899 -0.853 -8.473 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.300 -1.117 -10.470 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.263 0.516 -9.763 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.963 -0.643 -9.396 1.00 7.68 H new ATOM 449 N LYS A 29 -1.572 -3.065 -7.702 1.00 8.96 N ATOM 450 CA LYS A 29 -1.388 -4.452 -7.427 1.00 7.90 C ATOM 451 C LYS A 29 -2.527 -4.997 -6.515 1.00 6.92 C ATOM 452 O LYS A 29 -3.015 -6.111 -6.687 1.00 6.87 O ATOM 453 CB LYS A 29 0.067 -4.723 -7.018 1.00 10.28 C ATOM 454 CG LYS A 29 1.209 -4.452 -8.012 1.00 14.94 C ATOM 455 CD LYS A 29 2.581 -4.271 -7.330 1.00 19.69 C ATOM 456 CE LYS A 29 3.804 -3.627 -8.072 1.00 22.63 C ATOM 457 NZ LYS A 29 4.458 -4.513 -9.030 1.00 24.98 N ATOM 0 H LYS A 29 -0.786 -2.490 -7.400 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.507 -5.060 -8.324 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.268 -4.132 -6.125 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.132 -5.772 -6.728 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.269 -5.279 -8.720 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.976 -3.556 -8.587 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.409 -3.675 -6.433 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.900 -5.260 -7.000 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.467 -2.731 -8.594 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.537 -3.307 -7.331 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.176 -3.980 -9.561 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.914 -5.298 -8.522 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.750 -4.893 -9.690 1.00 24.98 H new ATOM 471 N ILE A 30 -2.876 -4.215 -5.444 1.00 4.57 N ATOM 472 CA ILE A 30 -3.915 -4.638 -4.466 1.00 5.58 C ATOM 473 C ILE A 30 -5.247 -4.733 -5.216 1.00 7.26 C ATOM 474 O ILE A 30 -6.048 -5.604 -4.925 1.00 9.46 O ATOM 475 CB ILE A 30 -3.915 -3.724 -3.248 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.499 -3.875 -2.560 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.108 -4.121 -2.370 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.192 -2.738 -1.625 1.00 2.00 C ATOM 0 H ILE A 30 -2.458 -3.306 -5.245 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.709 -5.624 -4.050 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.045 -2.667 -3.478 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.464 -4.815 -2.009 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.728 -3.928 -3.329 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.137 -3.484 -1.486 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.032 -4.000 -2.935 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.004 -5.162 -2.064 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.209 -2.889 -1.179 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.198 -1.799 -2.179 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.946 -2.700 -0.839 1.00 2.00 H new ATOM 490 N GLN A 31 -5.515 -3.814 -6.222 1.00 7.06 N ATOM 491 CA GLN A 31 -6.626 -3.913 -7.150 1.00 8.67 C ATOM 492 C GLN A 31 -6.541 -5.165 -7.891 1.00 10.90 C ATOM 493 O GLN A 31 -7.521 -5.911 -7.974 1.00 9.63 O ATOM 494 CB GLN A 31 -6.759 -2.758 -8.141 1.00 9.12 C ATOM 495 CG GLN A 31 -8.068 -2.758 -8.980 1.00 10.76 C ATOM 496 CD GLN A 31 -8.235 -1.578 -9.842 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.390 -1.060 -10.539 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.475 -1.033 -9.779 1.00 14.76 N ATOM 0 H GLN A 31 -4.936 -2.989 -6.379 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.517 -3.871 -6.524 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.698 -1.819 -7.591 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.909 -2.784 -8.822 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.087 -3.653 -9.602 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.920 -2.822 -8.303 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.192 -1.463 -9.195 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.691 -0.193 -10.316 1.00 14.76 H new ATOM 507 N ASP A 32 -5.372 -5.492 -8.463 1.00 10.93 N ATOM 508 CA ASP A 32 -5.137 -6.649 -9.266 1.00 14.01 C ATOM 509 C ASP A 32 -5.388 -7.899 -8.484 1.00 14.04 C ATOM 510 O ASP A 32 -5.960 -8.877 -8.971 1.00 13.39 O ATOM 511 CB ASP A 32 -3.652 -6.739 -9.713 1.00 18.01 C ATOM 512 CG ASP A 32 -3.495 -7.627 -10.958 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.359 -7.599 -11.873 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.429 -8.283 -11.120 1.00 26.29 O ATOM 0 H ASP A 32 -4.539 -4.913 -8.358 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.806 -6.560 -10.122 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.273 -5.739 -9.927 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.049 -7.141 -8.899 1.00 18.01 H new ATOM 519 N LYS A 33 -5.068 -7.953 -7.166 1.00 14.22 N ATOM 520 CA LYS A 33 -5.391 -9.171 -6.420 1.00 14.00 C ATOM 521 C LYS A 33 -6.802 -9.351 -6.028 1.00 12.37 C ATOM 522 O LYS A 33 -7.458 -10.373 -6.266 1.00 12.17 O ATOM 523 CB LYS A 33 -4.518 -9.332 -5.155 1.00 18.62 C ATOM 524 CG LYS A 33 -3.054 -9.202 -5.424 1.00 24.00 C ATOM 525 CD LYS A 33 -2.513 -10.431 -6.101 1.00 27.61 C ATOM 526 CE LYS A 33 -1.022 -10.276 -6.357 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.586 -11.163 -7.371 1.00 30.06 N ATOM 0 H LYS A 33 -4.614 -7.210 -6.634 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.173 -9.946 -7.155 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.813 -8.582 -4.421 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.713 -10.308 -4.710 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.873 -8.329 -6.051 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.523 -9.037 -4.487 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.693 -11.307 -5.478 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.036 -10.596 -7.043 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.805 -9.249 -6.649 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.470 -10.469 -5.438 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.435 -11.038 -7.527 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.774 -12.143 -7.079 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.098 -10.960 -8.253 1.00 30.06 H new ATOM 541 N GLU A 34 -7.364 -8.315 -5.407 1.00 10.11 N ATOM 542 CA GLU A 34 -8.538 -8.417 -4.597 1.00 10.07 C ATOM 543 C GLU A 34 -9.674 -7.410 -5.031 1.00 9.32 C ATOM 544 O GLU A 34 -10.741 -7.303 -4.433 1.00 11.61 O ATOM 545 CB GLU A 34 -8.212 -8.257 -3.103 1.00 14.77 C ATOM 546 CG GLU A 34 -7.525 -9.495 -2.474 1.00 18.75 C ATOM 547 CD GLU A 34 -8.360 -10.745 -2.492 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.360 -10.717 -1.714 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.009 -11.725 -3.156 1.00 25.19 O ATOM 0 H GLU A 34 -6.993 -7.367 -5.466 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.926 -9.423 -4.758 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.565 -7.390 -2.973 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.134 -8.051 -2.560 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.593 -9.687 -3.006 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.261 -9.264 -1.442 1.00 18.75 H new ATOM 556 N GLY A 35 -9.459 -6.750 -6.191 1.00 7.22 N ATOM 557 CA GLY A 35 -10.564 -5.980 -6.853 1.00 6.29 C ATOM 558 C GLY A 35 -10.702 -4.587 -6.360 1.00 6.93 C ATOM 559 O GLY A 35 -11.688 -3.922 -6.753 1.00 7.41 O ATOM 0 H GLY A 35 -8.566 -6.727 -6.684 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.386 -5.959 -7.928 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.506 -6.506 -6.696 1.00 6.29 H new ATOM 563 N ILE A 36 -9.774 -4.120 -5.483 1.00 5.86 N ATOM 564 CA ILE A 36 -10.004 -2.905 -4.631 1.00 6.07 C ATOM 565 C ILE A 36 -9.582 -1.632 -5.313 1.00 6.36 C ATOM 566 O ILE A 36 -8.372 -1.474 -5.578 1.00 6.18 O ATOM 567 CB ILE A 36 -9.156 -3.002 -3.341 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.583 -4.276 -2.601 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.447 -1.763 -2.411 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.935 -4.569 -1.302 1.00 9.49 C ATOM 0 H ILE A 36 -8.863 -4.558 -5.342 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.074 -2.877 -4.427 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.095 -3.021 -3.591 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.659 -4.222 -2.434 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.405 -5.124 -3.263 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.846 -1.839 -1.505 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.193 -0.844 -2.939 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.504 -1.748 -2.145 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.336 -5.498 -0.897 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.859 -4.670 -1.447 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.132 -3.755 -0.605 1.00 9.49 H new ATOM 582 N PRO A 37 -10.452 -0.676 -5.636 1.00 8.65 N ATOM 583 CA PRO A 37 -10.124 0.578 -6.277 1.00 9.18 C ATOM 584 C PRO A 37 -8.940 1.334 -5.669 1.00 9.85 C ATOM 585 O PRO A 37 -8.960 1.484 -4.441 1.00 8.51 O ATOM 586 CB PRO A 37 -11.429 1.352 -6.193 1.00 11.42 C ATOM 587 CG PRO A 37 -12.540 0.281 -6.257 1.00 9.27 C ATOM 588 CD PRO A 37 -11.957 -0.833 -5.446 1.00 8.33 C ATOM 0 HA PRO A 37 -9.769 0.423 -7.296 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.488 1.926 -5.268 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.519 2.062 -7.015 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.478 0.643 -5.836 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.749 -0.028 -7.281 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.238 -0.752 -4.396 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.304 -1.805 -5.795 1.00 8.33 H new ATOM 596 N PRO A 38 -7.902 1.825 -6.284 1.00 8.71 N ATOM 597 CA PRO A 38 -6.924 2.562 -5.534 1.00 9.08 C ATOM 598 C PRO A 38 -7.332 3.821 -4.765 1.00 9.28 C ATOM 599 O PRO A 38 -6.720 4.108 -3.756 1.00 6.50 O ATOM 600 CB PRO A 38 -5.885 2.989 -6.538 1.00 10.31 C ATOM 601 CG PRO A 38 -5.852 1.805 -7.522 1.00 10.81 C ATOM 602 CD PRO A 38 -7.361 1.400 -7.540 1.00 12.00 C ATOM 0 HA PRO A 38 -6.626 1.877 -4.741 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.161 3.919 -7.034 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.914 3.153 -6.070 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.490 2.097 -8.508 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.211 0.995 -7.174 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.882 1.877 -8.370 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.474 0.324 -7.669 1.00 12.00 H new ATOM 610 N ASP A 39 -8.312 4.541 -5.148 1.00 11.20 N ATOM 611 CA ASP A 39 -8.651 5.740 -4.398 1.00 14.96 C ATOM 612 C ASP A 39 -9.444 5.476 -3.129 1.00 13.99 C ATOM 613 O ASP A 39 -9.763 6.405 -2.377 1.00 13.75 O ATOM 614 CB ASP A 39 -9.423 6.782 -5.267 1.00 24.16 C ATOM 615 CG ASP A 39 -8.662 7.114 -6.532 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.676 7.878 -6.528 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.075 6.640 -7.617 1.00 35.55 O ATOM 0 H ASP A 39 -8.901 4.349 -5.959 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.684 6.148 -4.105 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.406 6.387 -5.524 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.586 7.691 -4.689 1.00 24.16 H new ATOM 622 N GLN A 40 -9.804 4.263 -2.831 1.00 11.60 N ATOM 623 CA GLN A 40 -10.412 3.812 -1.594 1.00 10.76 C ATOM 624 C GLN A 40 -9.352 3.419 -0.653 1.00 8.01 C ATOM 625 O GLN A 40 -9.643 3.125 0.516 1.00 8.96 O ATOM 626 CB GLN A 40 -11.357 2.572 -1.904 1.00 11.14 C ATOM 627 CG GLN A 40 -12.280 2.108 -0.742 1.00 14.85 C ATOM 628 CD GLN A 40 -13.228 1.077 -1.230 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.297 0.703 -2.399 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.985 0.516 -0.322 1.00 18.16 N ATOM 0 H GLN A 40 -9.674 3.497 -3.491 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.005 4.612 -1.150 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.983 2.823 -2.760 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.732 1.730 -2.203 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.679 1.705 0.073 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.830 2.959 -0.341 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.930 0.824 0.649 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.630 -0.229 -0.585 1.00 18.16 H new ATOM 639 N GLN A 41 -8.064 3.296 -1.124 1.00 6.52 N ATOM 640 CA GLN A 41 -7.047 2.744 -0.296 1.00 3.87 C ATOM 641 C GLN A 41 -6.188 3.767 0.526 1.00 4.79 C ATOM 642 O GLN A 41 -5.699 4.799 -0.002 1.00 6.34 O ATOM 643 CB GLN A 41 -6.087 1.891 -1.092 1.00 4.20 C ATOM 644 CG GLN A 41 -6.780 0.813 -1.924 1.00 3.20 C ATOM 645 CD GLN A 41 -5.735 -0.002 -2.682 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.636 -0.297 -2.196 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.100 -0.505 -3.867 1.00 7.13 N ATOM 0 H GLN A 41 -7.758 3.577 -2.055 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.622 2.160 0.422 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.506 2.533 -1.754 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.383 1.416 -0.409 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.365 0.160 -1.276 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.476 1.273 -2.626 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.006 -0.261 -4.267 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.472 -1.132 -4.370 1.00 7.13 H new ATOM 656 N ARG A 42 -5.967 3.379 1.742 1.00 5.73 N ATOM 657 CA ARG A 42 -4.966 3.993 2.516 1.00 6.97 C ATOM 658 C ARG A 42 -3.952 2.928 2.915 1.00 7.15 C ATOM 659 O ARG A 42 -4.275 1.930 3.575 1.00 7.33 O ATOM 660 CB ARG A 42 -5.476 4.625 3.866 1.00 13.23 C ATOM 661 CG ARG A 42 -6.286 5.939 3.739 1.00 21.27 C ATOM 662 CD ARG A 42 -6.279 6.585 5.141 1.00 26.14 C ATOM 663 NE ARG A 42 -7.029 7.858 4.993 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.309 8.064 5.336 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.089 7.214 5.995 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.873 9.222 5.057 1.00 36.39 N ATOM 0 H ARG A 42 -6.478 2.632 2.213 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.563 4.794 1.896 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.095 3.888 4.378 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.613 4.814 4.504 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.836 6.604 3.002 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.305 5.738 3.408 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.752 5.934 5.876 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.261 6.767 5.485 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.524 8.649 4.593 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.723 6.308 6.288 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.054 7.467 6.208 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.337 9.950 4.585 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.846 9.390 5.313 1.00 36.39 H new ATOM 680 N LEU A 43 -2.659 3.111 2.581 1.00 4.65 N ATOM 681 CA LEU A 43 -1.621 2.186 3.041 1.00 3.51 C ATOM 682 C LEU A 43 -0.819 2.889 4.094 1.00 5.56 C ATOM 683 O LEU A 43 -0.186 3.934 3.853 1.00 4.19 O ATOM 684 CB LEU A 43 -0.721 1.693 1.803 1.00 3.74 C ATOM 685 CG LEU A 43 -1.362 0.755 0.723 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.506 0.593 -0.484 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.672 -0.605 1.344 1.00 6.41 C ATOM 0 H LEU A 43 -2.319 3.880 2.004 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.058 1.286 3.473 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.352 2.581 1.290 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.148 1.178 2.213 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.284 1.229 0.387 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.002 -0.067 -1.196 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.340 1.566 -0.946 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.452 0.161 -0.195 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.118 -1.256 0.591 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.750 -1.055 1.713 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.370 -0.477 2.172 1.00 6.41 H new ATOM 699 N ILE A 44 -0.847 2.461 5.369 1.00 4.58 N ATOM 700 CA ILE A 44 -0.285 3.171 6.518 1.00 5.55 C ATOM 701 C ILE A 44 1.019 2.463 6.980 1.00 5.46 C ATOM 702 O ILE A 44 1.064 1.292 7.301 1.00 6.04 O ATOM 703 CB ILE A 44 -1.303 3.202 7.590 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.540 3.991 7.114 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.729 3.878 8.889 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.645 4.201 8.155 1.00 13.90 C ATOM 0 H ILE A 44 -1.280 1.575 5.631 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.025 4.196 6.254 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.584 2.175 7.822 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.210 4.968 6.762 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.970 3.472 6.257 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.496 3.889 9.663 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.134 3.314 9.242 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.426 4.901 8.664 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.463 4.767 7.709 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.016 3.233 8.493 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.244 4.752 9.005 1.00 13.90 H new ATOM 718 N PHE A 45 2.062 3.260 7.136 1.00 6.75 N ATOM 719 CA PHE A 45 3.396 2.833 7.499 1.00 4.70 C ATOM 720 C PHE A 45 4.101 3.896 8.328 1.00 6.34 C ATOM 721 O PHE A 45 4.121 5.071 7.960 1.00 5.45 O ATOM 722 CB PHE A 45 4.221 2.424 6.269 1.00 5.51 C ATOM 723 CG PHE A 45 5.668 1.917 6.418 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.986 0.916 7.308 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.703 2.641 5.755 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.293 0.621 7.620 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.008 2.329 6.161 1.00 6.64 C ATOM 728 CZ PHE A 45 8.348 1.365 7.049 1.00 6.84 C ATOM 0 H PHE A 45 1.995 4.269 7.006 1.00 6.75 H new ATOM 0 HA PHE A 45 3.300 1.942 8.119 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.661 1.644 5.754 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.252 3.287 5.604 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.192 0.350 7.772 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.496 3.378 4.993 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.513 -0.184 8.305 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.811 2.907 5.728 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.379 1.174 7.308 1.00 6.84 H new ATOM 738 N ALA A 46 4.569 3.548 9.509 1.00 6.53 N ATOM 739 CA ALA A 46 5.575 4.285 10.313 1.00 7.15 C ATOM 740 C ALA A 46 5.408 5.765 10.506 1.00 9.00 C ATOM 741 O ALA A 46 6.302 6.538 10.153 1.00 11.15 O ATOM 742 CB ALA A 46 7.023 4.002 9.886 1.00 8.99 C ATOM 0 H ALA A 46 4.252 2.699 9.977 1.00 6.53 H new ATOM 0 HA ALA A 46 5.358 3.854 11.291 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.706 4.573 10.515 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.233 2.938 9.995 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.159 4.294 8.845 1.00 8.99 H new ATOM 748 N GLY A 47 4.267 6.200 11.049 1.00 9.35 N ATOM 749 CA GLY A 47 3.948 7.584 11.402 1.00 11.68 C ATOM 750 C GLY A 47 3.341 8.366 10.260 1.00 11.14 C ATOM 751 O GLY A 47 3.129 9.567 10.403 1.00 13.93 O ATOM 0 H GLY A 47 3.502 5.561 11.265 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.256 7.587 12.244 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.857 8.086 11.735 1.00 11.68 H new ATOM 755 N LYS A 48 3.071 7.710 9.107 1.00 10.47 N ATOM 756 CA LYS A 48 2.603 8.393 7.919 1.00 8.82 C ATOM 757 C LYS A 48 1.490 7.554 7.297 1.00 7.68 C ATOM 758 O LYS A 48 1.311 6.381 7.579 1.00 6.47 O ATOM 759 CB LYS A 48 3.653 8.548 6.808 1.00 9.74 C ATOM 760 CG LYS A 48 5.066 9.065 7.219 1.00 14.14 C ATOM 761 CD LYS A 48 5.100 10.587 7.501 1.00 16.32 C ATOM 762 CE LYS A 48 6.278 10.878 8.347 1.00 20.04 C ATOM 763 NZ LYS A 48 7.560 10.533 7.698 1.00 23.92 N ATOM 0 H LYS A 48 3.176 6.702 8.993 1.00 10.47 H new ATOM 0 HA LYS A 48 2.304 9.386 8.254 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.777 7.579 6.325 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.251 9.229 6.058 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.397 8.530 8.109 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.776 8.833 6.425 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.157 11.145 6.566 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.185 10.900 8.004 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.281 11.938 8.602 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.191 10.325 9.282 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.346 10.941 8.244 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.663 9.499 7.662 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.574 10.916 6.731 1.00 23.92 H new ATOM 777 N GLN A 49 0.669 8.090 6.334 1.00 8.89 N ATOM 778 CA GLN A 49 -0.378 7.263 5.700 1.00 7.18 C ATOM 779 C GLN A 49 -0.159 7.054 4.224 1.00 8.23 C ATOM 780 O GLN A 49 -1.061 6.769 3.509 1.00 9.70 O ATOM 781 CB GLN A 49 -1.813 7.900 5.754 1.00 11.67 C ATOM 782 CG GLN A 49 -2.243 8.001 7.332 1.00 15.82 C ATOM 783 CD GLN A 49 -3.741 8.398 7.435 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.360 8.890 6.476 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.334 8.067 8.578 1.00 20.67 N ATOM 0 H GLN A 49 0.719 9.053 6.001 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.312 6.340 6.276 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.813 8.887 5.292 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.526 7.289 5.200 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.074 7.045 7.828 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.624 8.739 7.842 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.786 7.666 9.339 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.337 8.214 8.694 1.00 20.67 H new ATOM 794 N LEU A 50 1.079 7.276 3.815 1.00 6.51 N ATOM 795 CA LEU A 50 1.634 7.311 2.498 1.00 7.41 C ATOM 796 C LEU A 50 0.976 8.203 1.452 1.00 8.27 C ATOM 797 O LEU A 50 -0.099 8.779 1.634 1.00 8.34 O ATOM 798 CB LEU A 50 1.754 5.827 1.963 1.00 7.13 C ATOM 799 CG LEU A 50 2.518 4.922 2.898 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.600 3.532 2.251 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.983 5.473 3.123 1.00 9.11 C ATOM 0 H LEU A 50 1.806 7.459 4.506 1.00 6.51 H new ATOM 0 HA LEU A 50 2.599 7.800 2.632 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.754 5.420 1.809 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.248 5.836 0.991 1.00 7.13 H new ATOM 0 HG LEU A 50 2.010 4.876 3.861 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.149 2.857 2.908 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.594 3.145 2.092 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.116 3.606 1.294 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.521 4.809 3.800 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.505 5.518 2.167 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.933 6.472 3.557 1.00 9.11 H new ATOM 813 N GLU A 51 1.715 8.504 0.298 1.00 9.43 N ATOM 814 CA GLU A 51 1.208 9.466 -0.778 1.00 11.90 C ATOM 815 C GLU A 51 1.463 8.916 -2.169 1.00 11.49 C ATOM 816 O GLU A 51 2.582 8.615 -2.430 1.00 9.88 O ATOM 817 CB GLU A 51 1.761 10.894 -0.665 1.00 16.56 C ATOM 818 CG GLU A 51 1.567 11.684 0.648 1.00 26.06 C ATOM 819 CD GLU A 51 2.045 13.083 0.435 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.239 13.297 0.154 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.229 14.035 0.505 1.00 33.44 O ATOM 0 H GLU A 51 2.633 8.106 0.098 1.00 9.43 H new ATOM 0 HA GLU A 51 0.135 9.543 -0.604 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.832 10.846 -0.862 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.315 11.481 -1.468 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.517 11.683 0.939 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.123 11.213 1.459 1.00 26.06 H new ATOM 828 N ASP A 52 0.408 8.758 -2.988 1.00 12.71 N ATOM 829 CA ASP A 52 0.342 8.022 -4.220 1.00 16.56 C ATOM 830 C ASP A 52 1.535 8.143 -5.143 1.00 15.83 C ATOM 831 O ASP A 52 2.156 7.176 -5.620 1.00 17.21 O ATOM 832 CB ASP A 52 -0.927 8.359 -4.974 1.00 21.05 C ATOM 833 CG ASP A 52 -2.081 8.323 -3.949 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.272 7.321 -3.227 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.789 9.401 -3.867 1.00 25.82 O ATOM 0 H ASP A 52 -0.490 9.189 -2.766 1.00 12.71 H new ATOM 0 HA ASP A 52 0.347 6.980 -3.900 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.852 9.343 -5.436 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.101 7.642 -5.777 1.00 21.05 H new ATOM 840 N GLY A 53 1.889 9.411 -5.430 1.00 15.00 N ATOM 841 CA GLY A 53 2.982 9.620 -6.380 1.00 11.77 C ATOM 842 C GLY A 53 4.377 9.425 -5.911 1.00 11.10 C ATOM 843 O GLY A 53 5.283 9.670 -6.656 1.00 11.25 O ATOM 0 H GLY A 53 1.462 10.253 -5.043 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.820 8.950 -7.224 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.900 10.638 -6.761 1.00 11.77 H new ATOM 847 N ARG A 54 4.668 9.039 -4.657 1.00 8.53 N ATOM 848 CA ARG A 54 6.017 8.908 -4.116 1.00 9.05 C ATOM 849 C ARG A 54 6.432 7.468 -4.229 1.00 8.96 C ATOM 850 O ARG A 54 5.636 6.611 -4.583 1.00 11.60 O ATOM 851 CB ARG A 54 5.924 9.187 -2.569 1.00 7.97 C ATOM 852 CG ARG A 54 5.155 10.409 -2.090 1.00 9.62 C ATOM 853 CD ARG A 54 5.788 11.761 -2.440 1.00 12.20 C ATOM 854 NE ARG A 54 4.751 12.850 -2.147 1.00 18.23 N ATOM 855 CZ ARG A 54 3.905 13.344 -3.095 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.120 13.243 -4.365 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.826 13.866 -2.647 1.00 23.38 N ATOM 0 H ARG A 54 3.944 8.804 -3.978 1.00 8.53 H new ATOM 0 HA ARG A 54 6.702 9.578 -4.636 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.475 8.310 -2.102 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.941 9.266 -2.186 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.152 10.376 -2.514 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.045 10.347 -1.007 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.691 11.924 -1.852 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.082 11.785 -3.489 1.00 12.20 H new ATOM 0 HE ARG A 54 4.691 13.222 -1.199 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.960 12.774 -4.704 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.450 13.633 -5.028 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.650 13.890 -1.643 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.142 14.258 -3.294 1.00 23.38 H new ATOM 871 N THR A 55 7.683 7.102 -3.942 1.00 9.05 N ATOM 872 CA THR A 55 8.116 5.693 -3.983 1.00 9.03 C ATOM 873 C THR A 55 8.296 4.968 -2.701 1.00 8.15 C ATOM 874 O THR A 55 8.222 5.559 -1.638 1.00 5.91 O ATOM 875 CB THR A 55 9.387 5.553 -4.846 1.00 11.15 C ATOM 876 OG1 THR A 55 10.591 6.106 -4.238 1.00 11.95 O ATOM 877 CG2 THR A 55 9.271 6.323 -6.178 1.00 11.71 C ATOM 0 H THR A 55 8.418 7.758 -3.678 1.00 9.05 H new ATOM 0 HA THR A 55 7.253 5.195 -4.424 1.00 9.03 H new ATOM 0 HB THR A 55 9.469 4.473 -4.972 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.351 5.978 -4.843 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.188 6.196 -6.753 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.428 5.936 -6.750 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.115 7.382 -5.974 1.00 11.71 H new ATOM 885 N LEU A 56 8.481 3.652 -2.762 1.00 6.91 N ATOM 886 CA LEU A 56 8.909 2.763 -1.692 1.00 8.29 C ATOM 887 C LEU A 56 10.203 3.266 -0.940 1.00 8.05 C ATOM 888 O LEU A 56 10.186 3.408 0.297 1.00 10.17 O ATOM 889 CB LEU A 56 9.272 1.343 -2.107 1.00 6.60 C ATOM 890 CG LEU A 56 8.175 0.481 -2.729 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.505 -1.007 -2.553 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.809 0.697 -2.100 1.00 8.64 C ATOM 0 H LEU A 56 8.322 3.142 -3.631 1.00 6.91 H new ATOM 0 HA LEU A 56 8.014 2.766 -1.070 1.00 8.29 H new ATOM 0 HB2 LEU A 56 10.096 1.402 -2.819 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.648 0.822 -1.226 1.00 6.60 H new ATOM 0 HG LEU A 56 8.137 0.776 -3.778 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.715 -1.610 -3.001 1.00 9.85 H new ATOM 0 HD12 LEU A 56 9.453 -1.230 -3.042 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.581 -1.240 -1.491 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.077 0.054 -2.589 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.854 0.453 -1.039 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.514 1.739 -2.220 1.00 8.64 H new ATOM 904 N SER A 57 11.349 3.583 -1.583 1.00 8.92 N ATOM 905 CA SER A 57 12.639 4.142 -0.969 1.00 9.00 C ATOM 906 C SER A 57 12.460 5.466 -0.303 1.00 9.44 C ATOM 907 O SER A 57 12.968 5.778 0.755 1.00 10.91 O ATOM 908 CB SER A 57 13.906 3.946 -1.877 1.00 10.32 C ATOM 909 OG SER A 57 13.842 4.571 -3.126 1.00 13.59 O ATOM 0 H SER A 57 11.435 3.462 -2.592 1.00 8.92 H new ATOM 0 HA SER A 57 12.886 3.506 -0.119 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.778 4.323 -1.343 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.063 2.878 -2.030 1.00 10.32 H new ATOM 0 HG SER A 57 14.670 4.398 -3.621 1.00 13.59 H new ATOM 915 N ASP A 58 11.643 6.379 -0.870 1.00 9.11 N ATOM 916 CA ASP A 58 11.313 7.676 -0.279 1.00 7.91 C ATOM 917 C ASP A 58 10.765 7.689 1.141 1.00 9.12 C ATOM 918 O ASP A 58 10.887 8.653 1.908 1.00 8.61 O ATOM 919 CB ASP A 58 10.244 8.337 -1.230 1.00 8.41 C ATOM 920 CG ASP A 58 10.849 8.725 -2.529 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.098 8.959 -2.626 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.117 8.853 -3.554 1.00 11.70 O ATOM 0 H ASP A 58 11.189 6.223 -1.770 1.00 9.11 H new ATOM 0 HA ASP A 58 12.259 8.210 -0.192 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.425 7.639 -1.401 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.818 9.216 -0.747 1.00 8.41 H new ATOM 927 N TYR A 59 10.138 6.572 1.448 1.00 7.97 N ATOM 928 CA TYR A 59 9.488 6.275 2.660 1.00 8.45 C ATOM 929 C TYR A 59 10.222 5.151 3.436 1.00 10.98 C ATOM 930 O TYR A 59 9.832 4.810 4.543 1.00 12.95 O ATOM 931 CB TYR A 59 8.123 5.765 2.239 1.00 7.94 C ATOM 932 CG TYR A 59 7.162 6.877 2.050 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.908 7.824 3.105 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.466 6.953 0.874 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.003 8.834 2.876 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.521 7.955 0.662 1.00 6.52 C ATOM 937 CZ TYR A 59 5.305 8.913 1.645 1.00 6.76 C ATOM 938 OH TYR A 59 4.339 9.943 1.446 1.00 7.63 O ATOM 0 H TYR A 59 10.079 5.799 0.785 1.00 7.97 H new ATOM 0 HA TYR A 59 9.452 7.146 3.314 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.215 5.200 1.311 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.742 5.078 2.994 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.417 7.743 4.054 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.652 6.225 0.098 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.822 9.574 3.642 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.960 7.987 -0.260 1.00 6.52 H new ATOM 0 HH TYR A 59 4.795 10.779 1.216 1.00 7.63 H new ATOM 948 N ASN A 60 11.404 4.653 2.925 1.00 12.38 N ATOM 949 CA ASN A 60 12.324 3.670 3.605 1.00 13.94 C ATOM 950 C ASN A 60 11.628 2.359 3.846 1.00 14.16 C ATOM 951 O ASN A 60 11.767 1.651 4.835 1.00 14.26 O ATOM 952 CB ASN A 60 13.107 4.137 4.832 1.00 19.23 C ATOM 953 CG ASN A 60 13.520 5.596 4.678 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.397 5.908 3.832 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.925 6.466 5.479 1.00 24.09 N ATOM 0 H ASN A 60 11.749 4.933 2.007 1.00 12.38 H new ATOM 0 HA ASN A 60 13.124 3.548 2.874 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.497 4.018 5.727 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.992 3.514 4.965 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.171 7.455 5.431 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.220 6.148 6.144 1.00 24.09 H new ATOM 962 N ILE A 61 10.865 1.916 2.815 1.00 11.08 N ATOM 963 CA ILE A 61 10.247 0.601 2.784 1.00 11.78 C ATOM 964 C ILE A 61 11.296 -0.421 2.245 1.00 13.74 C ATOM 965 O ILE A 61 11.595 -0.636 1.080 1.00 14.60 O ATOM 966 CB ILE A 61 8.915 0.618 2.046 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.933 1.646 2.573 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.302 -0.851 2.114 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.739 1.919 1.720 1.00 11.42 C ATOM 0 H ILE A 61 10.671 2.477 1.986 1.00 11.08 H new ATOM 0 HA ILE A 61 9.971 0.277 3.787 1.00 11.78 H new ATOM 0 HB ILE A 61 9.101 0.919 1.015 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.586 1.317 3.552 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.468 2.584 2.723 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.345 -0.870 1.593 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.988 -1.554 1.640 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.153 -1.135 3.156 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.112 2.670 2.201 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.064 2.287 0.747 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.168 1.000 1.588 1.00 11.42 H new ATOM 981 N GLN A 62 11.813 -1.081 3.198 1.00 13.97 N ATOM 982 CA GLN A 62 12.850 -2.100 2.966 1.00 15.52 C ATOM 983 C GLN A 62 12.151 -3.438 2.593 1.00 13.94 C ATOM 984 O GLN A 62 10.944 -3.561 2.752 1.00 12.15 O ATOM 985 CB GLN A 62 13.642 -2.321 4.306 1.00 19.53 C ATOM 986 CG GLN A 62 14.257 -1.020 4.926 1.00 26.38 C ATOM 987 CD GLN A 62 14.774 -1.267 6.381 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.178 -2.051 7.143 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.916 -0.609 6.722 1.00 32.71 N ATOM 0 H GLN A 62 11.556 -0.960 4.178 1.00 13.97 H new ATOM 0 HA GLN A 62 13.522 -1.781 2.170 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.973 -2.774 5.037 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.445 -3.035 4.124 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.079 -0.671 4.301 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.506 -0.230 4.935 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.360 0.022 6.054 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.328 -0.747 7.645 1.00 32.71 H new ATOM 998 N LYS A 63 12.952 -4.470 2.201 1.00 11.73 N ATOM 999 CA LYS A 63 12.418 -5.778 2.019 1.00 11.97 C ATOM 1000 C LYS A 63 11.708 -6.500 3.162 1.00 10.41 C ATOM 1001 O LYS A 63 12.177 -6.370 4.295 1.00 9.59 O ATOM 1002 CB LYS A 63 13.474 -6.700 1.451 1.00 13.73 C ATOM 1003 CG LYS A 63 14.763 -7.021 2.316 1.00 16.98 C ATOM 1004 CD LYS A 63 15.704 -7.890 1.534 1.00 20.19 C ATOM 1005 CE LYS A 63 16.688 -8.706 2.371 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.583 -7.850 3.051 1.00 25.97 N ATOM 0 H LYS A 63 13.952 -4.386 2.017 1.00 11.73 H new ATOM 0 HA LYS A 63 11.594 -5.556 1.341 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.991 -7.649 1.217 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.810 -6.272 0.507 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.261 -6.094 2.598 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.475 -7.522 3.240 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.117 -8.576 0.923 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.271 -7.259 0.849 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.144 -9.319 3.090 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.244 -9.388 1.728 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.288 -8.419 3.562 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.066 -7.236 2.364 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.055 -7.263 3.729 1.00 25.97 H new ATOM 1020 N GLU A 64 10.573 -7.197 2.834 1.00 10.04 N ATOM 1021 CA GLU A 64 9.904 -8.084 3.798 1.00 10.94 C ATOM 1022 C GLU A 64 9.228 -7.205 4.892 1.00 9.74 C ATOM 1023 O GLU A 64 8.758 -7.721 5.933 1.00 9.42 O ATOM 1024 CB GLU A 64 10.677 -9.271 4.526 1.00 18.31 C ATOM 1025 CG GLU A 64 11.572 -9.983 3.523 1.00 24.16 C ATOM 1026 CD GLU A 64 12.370 -11.101 4.187 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.848 -12.093 4.759 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.637 -11.090 4.037 1.00 31.72 O ATOM 0 H GLU A 64 10.122 -7.152 1.920 1.00 10.04 H new ATOM 0 HA GLU A 64 9.239 -8.638 3.136 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.275 -8.879 5.349 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.964 -9.974 4.956 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.963 -10.396 2.719 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.256 -9.266 3.069 1.00 24.16 H new ATOM 1035 N SER A 65 9.057 -5.928 4.575 1.00 6.85 N ATOM 1036 CA SER A 65 8.459 -5.046 5.542 1.00 6.90 C ATOM 1037 C SER A 65 6.952 -5.121 5.320 1.00 4.72 C ATOM 1038 O SER A 65 6.438 -5.653 4.315 1.00 3.91 O ATOM 1039 CB SER A 65 8.952 -3.582 5.387 1.00 7.28 C ATOM 1040 OG SER A 65 8.456 -2.663 6.403 1.00 10.56 O ATOM 0 H SER A 65 9.316 -5.500 3.686 1.00 6.85 H new ATOM 0 HA SER A 65 8.739 -5.354 6.549 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.042 -3.575 5.411 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.652 -3.214 4.406 1.00 7.28 H new ATOM 0 HG SER A 65 8.813 -1.766 6.235 1.00 10.56 H new ATOM 1046 N THR A 66 6.186 -4.548 6.276 1.00 4.48 N ATOM 1047 CA THR A 66 4.772 -4.560 6.299 1.00 3.80 C ATOM 1048 C THR A 66 4.275 -3.138 6.154 1.00 4.60 C ATOM 1049 O THR A 66 4.799 -2.185 6.734 1.00 5.33 O ATOM 1050 CB THR A 66 4.239 -5.035 7.651 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.653 -6.369 7.961 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.711 -5.036 7.811 1.00 3.40 C ATOM 0 H THR A 66 6.590 -4.052 7.071 1.00 4.48 H new ATOM 0 HA THR A 66 4.438 -5.220 5.499 1.00 3.80 H new ATOM 0 HB THR A 66 4.665 -4.291 8.324 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.291 -6.629 8.834 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.450 -5.391 8.808 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.330 -4.024 7.675 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.267 -5.694 7.064 1.00 3.40 H new ATOM 1060 N LEU A 67 3.104 -3.058 5.438 1.00 4.17 N ATOM 1061 CA LEU A 67 2.228 -1.882 5.300 1.00 3.85 C ATOM 1062 C LEU A 67 0.785 -2.182 5.739 1.00 3.80 C ATOM 1063 O LEU A 67 0.313 -3.347 5.655 1.00 5.54 O ATOM 1064 CB LEU A 67 2.229 -1.493 3.841 1.00 7.18 C ATOM 1065 CG LEU A 67 3.577 -1.192 3.193 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.447 -0.780 1.730 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.367 -0.058 3.911 1.00 11.66 C ATOM 0 H LEU A 67 2.744 -3.862 4.923 1.00 4.17 H new ATOM 0 HA LEU A 67 2.601 -1.081 5.939 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.758 -2.298 3.278 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.597 -0.612 3.727 1.00 7.18 H new ATOM 0 HG LEU A 67 4.120 -2.133 3.279 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.436 -0.578 1.320 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.978 -1.586 1.165 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.834 0.118 1.658 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.315 0.105 3.399 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.782 0.861 3.892 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.557 -0.346 4.945 1.00 11.66 H new ATOM 1079 N HIS A 68 0.053 -1.207 6.244 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.253 -1.487 6.761 1.00 4.17 C ATOM 1081 C HIS A 68 -2.326 -0.942 5.760 1.00 5.32 C ATOM 1082 O HIS A 68 -2.306 0.249 5.514 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.464 -1.065 8.256 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.324 -1.502 9.047 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.875 -0.877 9.180 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.223 -2.614 9.847 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.598 -1.520 10.062 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.989 -2.580 10.507 1.00 16.30 N ATOM 0 H HIS A 68 0.344 -0.231 6.303 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.375 -2.568 6.823 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.577 0.017 8.328 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.381 -1.508 8.644 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.165 -0.041 8.674 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.970 -3.388 9.944 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.581 -1.208 10.382 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.159 -1.801 5.246 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.238 -1.377 4.375 1.00 3.97 C ATOM 1098 C LEU A 69 -5.409 -0.990 5.257 1.00 5.07 C ATOM 1099 O LEU A 69 -5.919 -1.859 5.961 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.703 -2.564 3.371 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.763 -2.186 2.255 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.168 -1.153 1.234 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.206 -3.515 1.613 1.00 9.96 C ATOM 0 H LEU A 69 -3.118 -2.807 5.411 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.896 -0.542 3.763 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.815 -2.957 2.876 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.117 -3.374 3.972 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.634 -1.679 2.671 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.918 -0.913 0.480 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.880 -0.244 1.762 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.292 -1.584 0.749 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.940 -3.315 0.833 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.341 -4.015 1.178 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.651 -4.156 2.374 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.774 0.266 5.187 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.087 0.576 5.761 1.00 6.26 C ATOM 1117 C VAL A 70 -7.997 1.008 4.619 1.00 9.22 C ATOM 1118 O VAL A 70 -7.567 1.941 3.871 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.024 1.665 6.891 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.386 1.802 7.585 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.977 1.265 7.963 1.00 8.54 C ATOM 0 H VAL A 70 -5.246 1.038 4.780 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.480 -0.314 6.252 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.747 2.611 6.426 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.322 2.561 8.365 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.139 2.095 6.854 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.665 0.847 8.030 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.943 2.028 8.741 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.256 0.308 8.405 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.995 1.177 7.498 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.170 0.460 4.354 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.134 1.076 3.352 1.00 16.06 C ATOM 1133 C LEU A 71 -10.885 2.348 3.882 1.00 18.09 C ATOM 1134 O LEU A 71 -11.348 2.386 5.075 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.005 0.009 2.747 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.335 -1.166 2.069 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.469 -1.863 1.323 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.170 -0.713 1.149 1.00 19.57 C ATOM 0 H LEU A 71 -9.509 -0.397 4.791 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.550 1.495 2.532 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.646 -0.384 3.536 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.657 0.487 2.016 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.852 -1.845 2.772 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.077 -2.734 0.797 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.231 -2.181 2.034 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.910 -1.173 0.604 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.715 -1.586 0.681 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.554 -0.046 0.377 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.421 -0.188 1.742 1.00 19.57 H new