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 Set 1.1: A 55 THR OG1 : rot 116:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.05 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 157:sc= 1.24 (180deg=-0.333) USER MOD Set 2.2: A 12 THR OG1 : rot 139:sc= 0.961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.5 (180deg=2.5) USER MOD Single : A 2 GLN : amide:sc=-0.000585 X(o=-0.00058,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 139:sc= 1.22 (180deg=-0.526!) 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= 0.00181 USER MOD Single : A 25 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= -0.0124 (180deg=-0.109) USER MOD Single : A 31 GLN : amide:sc= -1.99! C(o=-2!,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.56 K(o=-0.56,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.511 K(o=0.51,f=-2.8) 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=-0.024) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.286 USER MOD Single : A 60 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.86) USER MOD Single : A 62 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.725 K(o=0.73,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.435 -6.903 -4.846 1.00 9.67 N ATOM 2 CA MET A 1 11.310 -7.327 -3.413 1.00 10.38 C ATOM 3 C MET A 1 9.933 -7.660 -2.973 1.00 9.62 C ATOM 4 O MET A 1 8.950 -7.057 -3.454 1.00 9.62 O ATOM 5 CB MET A 1 11.957 -6.320 -2.410 1.00 13.77 C ATOM 6 CG MET A 1 11.337 -4.978 -2.219 1.00 16.29 C ATOM 7 SD MET A 1 12.501 -3.746 -1.862 1.00 17.17 S ATOM 8 CE MET A 1 11.280 -2.449 -1.716 1.00 16.11 C ATOM 0 H1 MET A 1 12.431 -6.692 -5.060 1.00 9.67 H new ATOM 0 H2 MET A 1 11.103 -7.670 -5.465 1.00 9.67 H new ATOM 0 H3 MET A 1 10.858 -6.053 -5.008 1.00 9.67 H new ATOM 0 HA MET A 1 11.879 -8.256 -3.391 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.992 -6.806 -1.435 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.989 -6.162 -2.725 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.790 -4.704 -3.121 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.610 -5.031 -1.408 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.776 -1.507 -1.480 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.741 -2.349 -2.658 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.578 -2.698 -0.921 1.00 16.11 H new ATOM 20 N GLN A 2 9.769 -8.667 -2.019 1.00 9.27 N ATOM 21 CA GLN A 2 8.477 -8.928 -1.487 1.00 9.07 C ATOM 22 C GLN A 2 8.195 -7.935 -0.389 1.00 8.72 C ATOM 23 O GLN A 2 9.059 -7.520 0.326 1.00 8.22 O ATOM 24 CB GLN A 2 8.400 -10.345 -0.819 1.00 14.46 C ATOM 25 CG GLN A 2 8.534 -11.517 -1.728 1.00 17.01 C ATOM 26 CD GLN A 2 8.588 -12.861 -0.990 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.634 -13.641 -1.051 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.647 -13.070 -0.219 1.00 19.49 N ATOM 0 H GLN A 2 10.519 -9.255 -1.655 1.00 9.27 H new ATOM 0 HA GLN A 2 7.766 -8.864 -2.311 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.183 -10.409 -0.063 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.446 -10.425 -0.298 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.694 -11.526 -2.422 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.439 -11.402 -2.325 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.410 -12.393 -0.205 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.699 -13.908 0.360 1.00 19.49 H new ATOM 37 N ILE A 3 6.946 -7.459 -0.288 1.00 5.87 N ATOM 38 CA ILE A 3 6.495 -6.857 0.899 1.00 5.07 C ATOM 39 C ILE A 3 5.227 -7.507 1.352 1.00 4.01 C ATOM 40 O ILE A 3 4.612 -8.337 0.635 1.00 4.61 O ATOM 41 CB ILE A 3 6.214 -5.370 0.777 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.167 -5.112 -0.297 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.553 -4.581 0.653 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.852 -3.610 -0.451 1.00 10.83 C ATOM 0 H ILE A 3 6.254 -7.496 -1.037 1.00 5.87 H new ATOM 0 HA ILE A 3 7.310 -6.990 1.611 1.00 5.07 H new ATOM 0 HB ILE A 3 5.755 -4.979 1.685 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.520 -5.507 -1.249 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.252 -5.650 -0.048 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.341 -3.515 0.566 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.163 -4.758 1.539 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.093 -4.917 -0.232 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.100 -3.474 -1.228 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.473 -3.219 0.493 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.760 -3.074 -0.727 1.00 10.83 H new ATOM 56 N PHE A 4 4.692 -7.185 2.551 1.00 4.55 N ATOM 57 CA PHE A 4 3.430 -7.820 3.094 1.00 4.68 C ATOM 58 C PHE A 4 2.504 -6.749 3.477 1.00 5.30 C ATOM 59 O PHE A 4 2.847 -5.691 4.020 1.00 5.58 O ATOM 60 CB PHE A 4 3.685 -8.704 4.403 1.00 4.83 C ATOM 61 CG PHE A 4 4.834 -9.667 4.303 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.989 -10.568 3.297 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.888 -9.635 5.274 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.097 -11.516 3.280 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.044 -10.488 5.232 1.00 10.61 C ATOM 66 CZ PHE A 4 7.145 -11.425 4.245 1.00 8.90 C ATOM 0 H PHE A 4 5.102 -6.490 3.175 1.00 4.55 H new ATOM 0 HA PHE A 4 3.037 -8.469 2.311 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.862 -8.036 5.246 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.778 -9.265 4.627 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.273 -10.582 2.489 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.809 -8.927 6.086 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.125 -12.294 2.531 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.824 -10.389 5.973 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.999 -12.084 4.195 1.00 8.90 H new ATOM 76 N VAL A 5 1.200 -6.994 3.226 1.00 4.44 N ATOM 77 CA VAL A 5 0.075 -6.117 3.572 1.00 3.87 C ATOM 78 C VAL A 5 -1.013 -6.657 4.385 1.00 4.93 C ATOM 79 O VAL A 5 -1.686 -7.620 4.026 1.00 6.84 O ATOM 80 CB VAL A 5 -0.688 -5.578 2.387 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.777 -4.474 2.677 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.300 -5.044 1.417 1.00 9.13 C ATOM 0 H VAL A 5 0.896 -7.847 2.756 1.00 4.44 H new ATOM 0 HA VAL A 5 0.656 -5.384 4.131 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.266 -6.421 2.008 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.249 -4.174 1.742 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.532 -4.876 3.352 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.303 -3.607 3.138 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.223 -4.646 0.547 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.879 -4.249 1.887 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.971 -5.844 1.103 1.00 9.13 H new ATOM 92 N LYS A 6 -1.310 -6.111 5.596 1.00 6.04 N ATOM 93 CA LYS A 6 -2.390 -6.583 6.362 1.00 6.12 C ATOM 94 C LYS A 6 -3.642 -5.851 6.024 1.00 6.57 C ATOM 95 O LYS A 6 -3.757 -4.600 6.101 1.00 5.76 O ATOM 96 CB LYS A 6 -2.054 -6.424 7.912 1.00 7.45 C ATOM 97 CG LYS A 6 -0.711 -6.983 8.394 1.00 11.12 C ATOM 98 CD LYS A 6 -0.646 -8.526 8.511 1.00 14.54 C ATOM 99 CE LYS A 6 0.715 -9.105 8.749 1.00 18.84 C ATOM 100 NZ LYS A 6 0.699 -10.556 8.826 1.00 20.55 N ATOM 0 H LYS A 6 -0.789 -5.345 6.023 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.547 -7.637 6.134 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.087 -5.363 8.159 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.847 -6.909 8.482 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.069 -6.653 7.708 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.483 -6.550 9.368 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.300 -8.838 9.325 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.049 -8.958 7.595 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.383 -8.795 7.946 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.121 -8.700 9.676 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.645 -10.926 8.602 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.431 -10.850 9.787 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.009 -10.932 8.144 1.00 20.55 H new ATOM 114 N THR A 7 -4.648 -6.646 5.592 1.00 7.41 N ATOM 115 CA THR A 7 -5.912 -6.186 5.084 1.00 7.48 C ATOM 116 C THR A 7 -7.058 -6.424 6.040 1.00 8.75 C ATOM 117 O THR A 7 -6.964 -7.093 7.109 1.00 8.58 O ATOM 118 CB THR A 7 -6.373 -6.860 3.801 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.870 -8.159 3.875 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.207 -6.942 2.738 1.00 9.17 C ATOM 0 H THR A 7 -4.574 -7.663 5.598 1.00 7.41 H new ATOM 0 HA THR A 7 -5.703 -5.129 4.921 1.00 7.48 H new ATOM 0 HB THR A 7 -7.201 -6.205 3.530 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.128 -8.462 2.979 1.00 11.78 H new ATOM 0 HG21 THR A 7 -5.572 -7.429 1.834 1.00 9.17 H new ATOM 0 HG22 THR A 7 -4.865 -5.936 2.495 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.378 -7.517 3.151 1.00 9.17 H new ATOM 128 N LEU A 8 -8.192 -5.801 5.826 1.00 9.84 N ATOM 129 CA LEU A 8 -9.083 -5.555 6.916 1.00 14.15 C ATOM 130 C LEU A 8 -9.921 -6.769 7.378 1.00 17.37 C ATOM 131 O LEU A 8 -10.499 -6.687 8.448 1.00 17.01 O ATOM 132 CB LEU A 8 -10.084 -4.513 6.450 1.00 16.63 C ATOM 133 CG LEU A 8 -9.558 -3.069 6.131 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.641 -2.234 5.463 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.095 -2.318 7.334 1.00 18.59 C ATOM 0 H LEU A 8 -8.510 -5.462 4.918 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.453 -5.260 7.755 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.570 -4.896 5.553 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.854 -4.425 7.216 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.705 -3.222 5.470 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.253 -1.237 5.251 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.945 -2.711 4.531 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.501 -2.155 6.128 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.746 -1.330 7.034 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.921 -2.213 8.038 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.279 -2.861 7.810 1.00 18.59 H new ATOM 147 N THR A 9 -9.908 -7.870 6.642 1.00 18.33 N ATOM 148 CA THR A 9 -10.496 -9.150 7.077 1.00 19.24 C ATOM 149 C THR A 9 -9.568 -9.948 7.936 1.00 19.48 C ATOM 150 O THR A 9 -9.846 -11.115 8.167 1.00 23.14 O ATOM 151 CB THR A 9 -11.023 -9.966 5.917 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.947 -10.256 5.000 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.222 -9.365 5.181 1.00 19.70 C ATOM 0 H THR A 9 -9.487 -7.911 5.714 1.00 18.33 H new ATOM 0 HA THR A 9 -11.352 -8.889 7.699 1.00 19.24 H new ATOM 0 HB THR A 9 -11.413 -10.884 6.356 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.290 -10.786 4.250 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.520 -10.028 4.369 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.053 -9.246 5.876 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.948 -8.392 4.773 1.00 19.70 H new ATOM 161 N GLY A 10 -8.363 -9.502 8.336 1.00 19.43 N ATOM 162 CA GLY A 10 -7.416 -10.280 9.090 1.00 18.74 C ATOM 163 C GLY A 10 -6.542 -11.044 8.115 1.00 17.62 C ATOM 164 O GLY A 10 -5.732 -11.876 8.575 1.00 19.74 O ATOM 0 H GLY A 10 -8.031 -8.561 8.128 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.806 -9.631 9.718 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.936 -10.970 9.755 1.00 18.74 H new ATOM 168 N LYS A 11 -6.593 -10.768 6.809 1.00 13.56 N ATOM 169 CA LYS A 11 -5.818 -11.458 5.818 1.00 11.91 C ATOM 170 C LYS A 11 -4.468 -10.741 5.693 1.00 10.18 C ATOM 171 O LYS A 11 -4.320 -9.590 6.042 1.00 9.10 O ATOM 172 CB LYS A 11 -6.555 -11.417 4.506 1.00 13.43 C ATOM 173 CG LYS A 11 -6.026 -12.231 3.377 1.00 16.69 C ATOM 174 CD LYS A 11 -6.863 -12.085 2.061 1.00 17.92 C ATOM 175 CE LYS A 11 -6.308 -13.066 0.927 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.993 -12.823 -0.340 1.00 21.93 N ATOM 0 H LYS A 11 -7.192 -10.040 6.420 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.658 -12.499 6.098 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.582 -11.732 4.691 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.594 -10.378 4.178 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.995 -11.937 3.178 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.007 -13.280 3.672 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.910 -12.310 2.263 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.821 -11.054 1.710 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.236 -12.917 0.802 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.452 -14.102 1.232 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.305 -12.861 -1.119 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.722 -13.550 -0.486 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.440 -11.884 -0.318 1.00 21.93 H new ATOM 190 N THR A 12 -3.412 -11.454 5.230 1.00 9.63 N ATOM 191 CA THR A 12 -2.145 -10.827 4.876 1.00 9.85 C ATOM 192 C THR A 12 -1.887 -11.204 3.463 1.00 11.66 C ATOM 193 O THR A 12 -2.028 -12.353 3.168 1.00 12.33 O ATOM 194 CB THR A 12 -0.962 -11.468 5.627 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.240 -11.490 7.006 1.00 10.91 O ATOM 196 CG2 THR A 12 0.299 -10.597 5.441 1.00 9.63 C ATOM 0 H THR A 12 -3.428 -12.465 5.098 1.00 9.63 H new ATOM 0 HA THR A 12 -2.215 -9.761 5.090 1.00 9.85 H new ATOM 0 HB THR A 12 -0.807 -12.475 5.238 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.947 -12.345 7.385 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.136 -11.050 5.972 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.539 -10.525 4.380 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.114 -9.599 5.839 1.00 9.63 H new ATOM 204 N ILE A 13 -1.436 -10.285 2.586 1.00 10.42 N ATOM 205 CA ILE A 13 -1.145 -10.622 1.174 1.00 11.84 C ATOM 206 C ILE A 13 0.285 -10.214 0.909 1.00 10.55 C ATOM 207 O ILE A 13 0.768 -9.273 1.608 1.00 11.92 O ATOM 208 CB ILE A 13 -2.066 -9.959 0.142 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.290 -8.454 0.341 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.404 -10.734 0.183 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.039 -7.691 -0.737 1.00 16.46 C ATOM 0 H ILE A 13 -1.265 -9.309 2.827 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.317 -11.691 1.053 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.583 -10.015 -0.833 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.828 -8.319 1.279 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.313 -7.985 0.463 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.098 -10.300 -0.537 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.227 -11.780 -0.069 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.831 -10.669 1.184 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.117 -6.642 -0.453 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.500 -7.772 -1.681 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.038 -8.111 -0.852 1.00 16.46 H new ATOM 223 N THR A 14 0.975 -10.888 -0.009 1.00 9.39 N ATOM 224 CA THR A 14 2.342 -10.488 -0.346 1.00 9.63 C ATOM 225 C THR A 14 2.438 -9.916 -1.683 1.00 11.20 C ATOM 226 O THR A 14 1.933 -10.543 -2.601 1.00 11.63 O ATOM 227 CB THR A 14 3.232 -11.725 -0.421 1.00 10.38 C ATOM 228 OG1 THR A 14 3.029 -12.557 0.730 1.00 16.30 O ATOM 229 CG2 THR A 14 4.724 -11.344 -0.445 1.00 11.66 C ATOM 0 H THR A 14 0.622 -11.695 -0.523 1.00 9.39 H new ATOM 0 HA THR A 14 2.638 -9.770 0.419 1.00 9.63 H new ATOM 0 HB THR A 14 2.964 -12.250 -1.338 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.605 -13.348 0.668 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.330 -12.249 -0.499 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.926 -10.720 -1.315 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.974 -10.794 0.462 1.00 11.66 H new ATOM 237 N LEU A 15 3.077 -8.737 -1.842 1.00 8.29 N ATOM 238 CA LEU A 15 3.091 -8.113 -3.134 1.00 9.03 C ATOM 239 C LEU A 15 4.524 -7.977 -3.526 1.00 8.59 C ATOM 240 O LEU A 15 5.386 -7.749 -2.702 1.00 7.79 O ATOM 241 CB LEU A 15 2.593 -6.705 -3.067 1.00 11.08 C ATOM 242 CG LEU A 15 1.243 -6.465 -2.432 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.081 -4.902 -2.180 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.098 -7.027 -3.262 1.00 15.27 C ATOM 0 H LEU A 15 3.567 -8.231 -1.105 1.00 8.29 H new ATOM 0 HA LEU A 15 2.478 -8.707 -3.812 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.329 -6.115 -2.522 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.560 -6.313 -4.083 1.00 11.08 H new ATOM 0 HG LEU A 15 1.197 -6.999 -1.483 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.112 -4.706 -1.721 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.873 -4.556 -1.516 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.147 -4.372 -3.130 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.848 -6.827 -2.759 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.094 -6.554 -4.244 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.227 -8.103 -3.378 1.00 15.27 H new ATOM 256 N GLU A 16 4.876 -8.160 -4.796 1.00 11.04 N ATOM 257 CA GLU A 16 6.246 -8.119 -5.376 1.00 11.50 C ATOM 258 C GLU A 16 6.456 -6.712 -6.023 1.00 10.13 C ATOM 259 O GLU A 16 5.764 -6.272 -6.931 1.00 9.83 O ATOM 260 CB GLU A 16 6.466 -9.342 -6.290 1.00 17.22 C ATOM 261 CG GLU A 16 7.837 -9.332 -7.082 1.00 23.33 C ATOM 262 CD GLU A 16 9.006 -9.449 -6.071 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.069 -10.306 -5.206 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.903 -8.570 -6.170 1.00 28.90 O ATOM 0 H GLU A 16 4.174 -8.356 -5.509 1.00 11.04 H new ATOM 0 HA GLU A 16 7.030 -8.216 -4.625 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.418 -10.246 -5.683 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.647 -9.396 -7.007 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.868 -10.160 -7.791 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.931 -8.413 -7.661 1.00 23.33 H new ATOM 271 N VAL A 17 7.340 -5.876 -5.431 1.00 8.99 N ATOM 272 CA VAL A 17 7.473 -4.489 -5.743 1.00 8.85 C ATOM 273 C VAL A 17 8.959 -4.151 -5.739 1.00 8.04 C ATOM 274 O VAL A 17 9.796 -4.840 -5.174 1.00 8.99 O ATOM 275 CB VAL A 17 6.920 -3.597 -4.546 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.403 -3.886 -4.510 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.526 -4.053 -3.219 1.00 10.54 C ATOM 0 H VAL A 17 7.986 -6.186 -4.705 1.00 8.99 H new ATOM 0 HA VAL A 17 6.956 -4.306 -6.685 1.00 8.85 H new ATOM 0 HB VAL A 17 7.160 -2.543 -4.687 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.941 -3.308 -3.709 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.956 -3.605 -5.464 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.239 -4.949 -4.332 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.138 -3.434 -2.410 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.262 -5.095 -3.037 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.611 -3.956 -3.262 1.00 10.54 H new ATOM 287 N GLU A 18 9.345 -3.034 -6.419 1.00 7.29 N ATOM 288 CA GLU A 18 10.744 -2.562 -6.395 1.00 7.08 C ATOM 289 C GLU A 18 10.819 -1.243 -5.708 1.00 6.45 C ATOM 290 O GLU A 18 9.747 -0.605 -5.612 1.00 5.28 O ATOM 291 CB GLU A 18 11.303 -2.308 -7.815 1.00 10.28 C ATOM 292 CG GLU A 18 11.446 -3.668 -8.587 1.00 12.65 C ATOM 293 CD GLU A 18 12.486 -4.556 -7.941 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.692 -4.155 -7.817 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.113 -5.742 -7.695 1.00 18.17 O ATOM 0 H GLU A 18 8.714 -2.459 -6.978 1.00 7.29 H new ATOM 0 HA GLU A 18 11.316 -3.341 -5.891 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.639 -1.638 -8.362 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.272 -1.813 -7.750 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.485 -4.182 -8.605 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.723 -3.474 -9.623 1.00 12.65 H new ATOM 302 N PRO A 19 11.991 -0.762 -5.307 1.00 7.24 N ATOM 303 CA PRO A 19 12.141 0.533 -4.590 1.00 7.07 C ATOM 304 C PRO A 19 11.678 1.630 -5.475 1.00 6.65 C ATOM 305 O PRO A 19 11.472 2.729 -4.920 1.00 6.37 O ATOM 306 CB PRO A 19 13.635 0.644 -4.237 1.00 7.61 C ATOM 307 CG PRO A 19 14.001 -0.858 -4.058 1.00 8.16 C ATOM 308 CD PRO A 19 13.193 -1.587 -5.110 1.00 7.49 C ATOM 0 HA PRO A 19 11.544 0.596 -3.681 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.213 1.119 -5.029 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.804 1.222 -3.329 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.069 -1.023 -4.197 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.752 -1.208 -3.056 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.756 -1.692 -6.037 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.932 -2.593 -4.780 1.00 7.49 H new ATOM 316 N SER A 20 11.608 1.457 -6.853 1.00 6.80 N ATOM 317 CA SER A 20 11.314 2.592 -7.769 1.00 6.28 C ATOM 318 C SER A 20 9.893 2.734 -8.194 1.00 8.45 C ATOM 319 O SER A 20 9.512 3.622 -8.962 1.00 7.26 O ATOM 320 CB SER A 20 12.207 2.497 -8.980 1.00 8.57 C ATOM 321 OG SER A 20 11.976 1.252 -9.604 1.00 11.13 O ATOM 0 H SER A 20 11.750 0.563 -7.322 1.00 6.80 H new ATOM 0 HA SER A 20 11.516 3.491 -7.187 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.997 3.313 -9.671 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.253 2.587 -8.688 1.00 8.57 H new ATOM 0 HG SER A 20 12.547 1.172 -10.396 1.00 11.13 H new ATOM 327 N ASP A 21 9.012 1.843 -7.652 1.00 7.50 N ATOM 328 CA ASP A 21 7.629 1.855 -7.952 1.00 7.70 C ATOM 329 C ASP A 21 7.062 2.919 -7.094 1.00 7.08 C ATOM 330 O ASP A 21 7.674 3.285 -6.048 1.00 8.11 O ATOM 331 CB ASP A 21 7.058 0.446 -7.562 1.00 11.00 C ATOM 332 CG ASP A 21 7.515 -0.582 -8.548 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.411 -0.430 -9.815 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.709 -1.711 -8.056 1.00 18.03 O ATOM 0 H ASP A 21 9.286 1.111 -6.997 1.00 7.50 H new ATOM 0 HA ASP A 21 7.397 2.044 -9.000 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.391 0.174 -6.560 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.969 0.480 -7.538 1.00 11.00 H new ATOM 339 N THR A 22 5.951 3.463 -7.492 1.00 5.37 N ATOM 340 CA THR A 22 5.242 4.447 -6.680 1.00 6.01 C ATOM 341 C THR A 22 4.304 3.733 -5.688 1.00 8.01 C ATOM 342 O THR A 22 3.926 2.583 -5.762 1.00 8.11 O ATOM 343 CB THR A 22 4.410 5.503 -7.447 1.00 8.92 C ATOM 344 OG1 THR A 22 3.401 4.902 -8.285 1.00 10.22 O ATOM 345 CG2 THR A 22 5.261 6.332 -8.396 1.00 9.65 C ATOM 0 H THR A 22 5.500 3.249 -8.382 1.00 5.37 H new ATOM 0 HA THR A 22 6.042 4.998 -6.186 1.00 6.01 H new ATOM 0 HB THR A 22 3.969 6.116 -6.661 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.899 5.605 -8.748 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.631 7.058 -8.910 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.031 6.856 -7.830 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.732 5.677 -9.129 1.00 9.65 H new ATOM 353 N ILE A 23 3.759 4.500 -4.741 1.00 8.32 N ATOM 354 CA ILE A 23 2.791 4.045 -3.750 1.00 9.92 C ATOM 355 C ILE A 23 1.450 3.733 -4.383 1.00 10.01 C ATOM 356 O ILE A 23 0.815 2.697 -4.084 1.00 8.71 O ATOM 357 CB ILE A 23 2.494 5.108 -2.727 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.786 5.466 -1.925 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.300 4.787 -1.863 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.488 4.242 -1.382 1.00 12.30 C ATOM 0 H ILE A 23 3.990 5.489 -4.643 1.00 8.32 H new ATOM 0 HA ILE A 23 3.245 3.164 -3.297 1.00 9.92 H new ATOM 0 HB ILE A 23 2.190 6.010 -3.258 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.470 6.016 -2.571 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.525 6.128 -1.099 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.141 5.594 -1.147 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.415 4.679 -2.490 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.479 3.856 -1.326 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.379 4.547 -0.833 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.816 3.704 -0.713 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.775 3.591 -2.208 1.00 12.30 H new ATOM 372 N GLU A 24 1.090 4.490 -5.428 1.00 9.54 N ATOM 373 CA GLU A 24 -0.028 4.259 -6.311 1.00 11.81 C ATOM 374 C GLU A 24 0.045 2.963 -7.057 1.00 11.14 C ATOM 375 O GLU A 24 -0.975 2.286 -7.210 1.00 10.62 O ATOM 376 CB GLU A 24 -0.053 5.391 -7.379 1.00 19.24 C ATOM 377 CG GLU A 24 -1.459 5.547 -8.066 1.00 27.76 C ATOM 378 CD GLU A 24 -1.419 6.270 -9.391 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.926 7.414 -9.443 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.847 5.754 -10.456 1.00 36.51 O ATOM 0 H GLU A 24 1.613 5.328 -5.683 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.917 4.235 -5.681 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.224 6.335 -6.909 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.698 5.182 -8.141 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.890 4.557 -8.217 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.124 6.085 -7.390 1.00 27.76 H new ATOM 387 N ASN A 25 1.241 2.542 -7.525 1.00 9.43 N ATOM 388 CA ASN A 25 1.537 1.305 -8.190 1.00 10.96 C ATOM 389 C ASN A 25 1.268 0.076 -7.250 1.00 9.68 C ATOM 390 O ASN A 25 0.729 -0.949 -7.645 1.00 9.33 O ATOM 391 CB ASN A 25 3.035 1.286 -8.705 1.00 16.78 C ATOM 392 CG ASN A 25 3.331 0.303 -9.854 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.681 -0.832 -9.551 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.213 0.712 -11.134 1.00 24.70 N ATOM 0 H ASN A 25 2.074 3.123 -7.427 1.00 9.43 H new ATOM 0 HA ASN A 25 0.873 1.226 -9.051 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.300 2.291 -9.033 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.686 1.042 -7.865 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.418 0.067 -11.897 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.918 1.667 -11.339 1.00 24.70 H new ATOM 401 N VAL A 26 1.642 0.231 -5.935 1.00 6.52 N ATOM 402 CA VAL A 26 1.360 -0.814 -4.914 1.00 5.53 C ATOM 403 C VAL A 26 -0.122 -1.036 -4.804 1.00 4.42 C ATOM 404 O VAL A 26 -0.619 -2.179 -4.814 1.00 3.40 O ATOM 405 CB VAL A 26 1.961 -0.356 -3.544 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.863 -1.406 -2.482 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.426 -0.018 -3.820 1.00 8.12 C ATOM 0 H VAL A 26 2.127 1.052 -5.574 1.00 6.52 H new ATOM 0 HA VAL A 26 1.820 -1.758 -5.207 1.00 5.53 H new ATOM 0 HB VAL A 26 1.400 0.497 -3.162 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.297 -1.028 -1.556 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.816 -1.659 -2.316 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.405 -2.297 -2.800 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.904 0.310 -2.897 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.938 -0.902 -4.199 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.482 0.779 -4.561 1.00 8.12 H new ATOM 417 N LYS A 27 -0.918 0.115 -4.764 1.00 2.64 N ATOM 418 CA LYS A 27 -2.361 0.160 -4.736 1.00 4.14 C ATOM 419 C LYS A 27 -2.986 -0.551 -5.928 1.00 5.58 C ATOM 420 O LYS A 27 -3.949 -1.304 -5.878 1.00 4.11 O ATOM 421 CB LYS A 27 -3.018 1.526 -4.591 1.00 3.97 C ATOM 422 CG LYS A 27 -2.584 2.213 -3.272 1.00 7.45 C ATOM 423 CD LYS A 27 -2.988 3.716 -3.071 1.00 9.02 C ATOM 424 CE LYS A 27 -2.740 4.266 -1.702 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.096 5.696 -1.581 1.00 15.47 N ATOM 0 H LYS A 27 -0.505 1.047 -4.751 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.568 -0.366 -3.804 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.748 2.155 -5.439 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.102 1.416 -4.608 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.998 1.640 -2.442 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.499 2.144 -3.198 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.441 4.322 -3.793 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.048 3.824 -3.302 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.315 3.691 -0.976 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.688 4.137 -1.450 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.496 6.143 -0.859 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.948 6.169 -2.495 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.095 5.783 -1.304 1.00 15.47 H new ATOM 439 N ALA A 28 -2.436 -0.291 -7.119 1.00 6.61 N ATOM 440 CA ALA A 28 -2.922 -0.928 -8.340 1.00 7.74 C ATOM 441 C ALA A 28 -2.727 -2.422 -8.276 1.00 9.17 C ATOM 442 O ALA A 28 -3.580 -3.190 -8.711 1.00 11.45 O ATOM 443 CB ALA A 28 -2.015 -0.366 -9.490 1.00 7.68 C ATOM 0 H ALA A 28 -1.658 0.353 -7.260 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.983 -0.728 -8.488 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.322 -0.801 -10.441 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.117 0.718 -9.537 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.975 -0.624 -9.292 1.00 7.68 H new ATOM 449 N LYS A 29 -1.683 -2.943 -7.689 1.00 8.96 N ATOM 450 CA LYS A 29 -1.394 -4.359 -7.549 1.00 7.90 C ATOM 451 C LYS A 29 -2.396 -5.008 -6.576 1.00 6.92 C ATOM 452 O LYS A 29 -2.965 -6.074 -6.814 1.00 6.87 O ATOM 453 CB LYS A 29 0.093 -4.624 -7.077 1.00 10.28 C ATOM 454 CG LYS A 29 1.138 -4.371 -8.076 1.00 14.94 C ATOM 455 CD LYS A 29 2.535 -4.492 -7.519 1.00 19.69 C ATOM 456 CE LYS A 29 3.529 -4.191 -8.645 1.00 22.63 C ATOM 457 NZ LYS A 29 3.529 -5.169 -9.782 1.00 24.98 N ATOM 0 H LYS A 29 -0.961 -2.359 -7.267 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.500 -4.815 -8.533 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.293 -4.002 -6.205 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.171 -5.662 -6.753 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.021 -5.074 -8.901 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.003 -3.371 -8.488 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.676 -3.796 -6.692 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.701 -5.494 -7.124 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.313 -3.199 -9.042 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.532 -4.153 -8.221 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.341 -4.979 -10.403 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.599 -6.137 -9.408 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.647 -5.070 -10.325 1.00 24.98 H new ATOM 471 N ILE A 30 -2.690 -4.374 -5.428 1.00 4.57 N ATOM 472 CA ILE A 30 -3.773 -4.707 -4.539 1.00 5.58 C ATOM 473 C ILE A 30 -5.176 -4.749 -5.214 1.00 7.26 C ATOM 474 O ILE A 30 -6.028 -5.575 -4.824 1.00 9.46 O ATOM 475 CB ILE A 30 -3.743 -3.806 -3.333 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.425 -3.942 -2.568 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.974 -4.028 -2.394 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.195 -2.731 -1.670 1.00 2.00 C ATOM 0 H ILE A 30 -2.142 -3.581 -5.095 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.608 -5.736 -4.219 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.810 -2.783 -3.702 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.441 -4.850 -1.965 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.599 -4.041 -3.272 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.906 -3.355 -1.539 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.893 -3.824 -2.944 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.983 -5.060 -2.043 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.252 -2.848 -1.135 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.157 -1.828 -2.279 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.011 -2.650 -0.952 1.00 2.00 H new ATOM 490 N GLN A 31 -5.443 -3.844 -6.153 1.00 7.06 N ATOM 491 CA GLN A 31 -6.657 -3.779 -6.950 1.00 8.67 C ATOM 492 C GLN A 31 -6.673 -5.031 -7.853 1.00 10.90 C ATOM 493 O GLN A 31 -7.669 -5.696 -7.899 1.00 9.63 O ATOM 494 CB GLN A 31 -6.826 -2.476 -7.793 1.00 9.12 C ATOM 495 CG GLN A 31 -8.065 -2.472 -8.776 1.00 10.76 C ATOM 496 CD GLN A 31 -8.213 -1.144 -9.543 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.259 -0.481 -9.568 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.091 -0.643 -10.141 1.00 14.76 N ATOM 0 H GLN A 31 -4.784 -3.102 -6.387 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.506 -3.754 -6.267 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.919 -1.630 -7.112 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.918 -2.318 -8.376 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.960 -3.289 -9.490 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.975 -2.661 -8.207 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.223 -1.179 -10.127 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.121 0.267 -10.601 1.00 14.76 H new ATOM 507 N ASP A 32 -5.543 -5.400 -8.509 1.00 10.93 N ATOM 508 CA ASP A 32 -5.505 -6.655 -9.247 1.00 14.01 C ATOM 509 C ASP A 32 -5.707 -7.924 -8.462 1.00 14.04 C ATOM 510 O ASP A 32 -6.461 -8.783 -8.880 1.00 13.39 O ATOM 511 CB ASP A 32 -4.201 -6.806 -9.991 1.00 18.01 C ATOM 512 CG ASP A 32 -4.065 -5.771 -11.091 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.057 -5.388 -11.681 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.856 -5.385 -11.432 1.00 25.17 O ATOM 0 H ASP A 32 -4.681 -4.856 -8.534 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.369 -6.555 -9.904 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.369 -6.708 -9.293 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.140 -7.806 -10.421 1.00 18.01 H new ATOM 519 N LYS A 33 -5.089 -8.076 -7.265 1.00 14.22 N ATOM 520 CA LYS A 33 -5.294 -9.213 -6.401 1.00 14.00 C ATOM 521 C LYS A 33 -6.574 -9.241 -5.616 1.00 12.37 C ATOM 522 O LYS A 33 -7.245 -10.290 -5.623 1.00 12.17 O ATOM 523 CB LYS A 33 -4.147 -9.406 -5.252 1.00 18.62 C ATOM 524 CG LYS A 33 -2.780 -9.748 -5.882 1.00 24.00 C ATOM 525 CD LYS A 33 -1.657 -10.040 -4.865 1.00 27.61 C ATOM 526 CE LYS A 33 -0.298 -10.479 -5.433 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.347 -11.896 -5.817 1.00 30.06 N ATOM 0 H LYS A 33 -4.432 -7.393 -6.889 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.284 -9.999 -7.157 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.061 -8.493 -4.663 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.444 -10.200 -4.567 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.901 -10.617 -6.529 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.470 -8.918 -6.517 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.500 -9.143 -4.267 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.008 -10.818 -4.187 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.042 -9.868 -6.299 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.484 -10.322 -4.690 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.576 -12.184 -6.200 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.571 -12.474 -4.982 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.081 -12.034 -6.541 1.00 30.06 H new ATOM 541 N GLU A 34 -6.950 -8.202 -4.856 1.00 10.11 N ATOM 542 CA GLU A 34 -8.054 -8.189 -3.855 1.00 10.07 C ATOM 543 C GLU A 34 -9.262 -7.387 -4.363 1.00 9.32 C ATOM 544 O GLU A 34 -10.334 -7.349 -3.777 1.00 11.61 O ATOM 545 CB GLU A 34 -7.537 -7.633 -2.515 1.00 14.77 C ATOM 546 CG GLU A 34 -6.328 -8.451 -1.897 1.00 18.75 C ATOM 547 CD GLU A 34 -6.676 -9.889 -1.610 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.531 -10.191 -0.769 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.075 -10.794 -2.284 1.00 25.19 O ATOM 0 H GLU A 34 -6.477 -7.300 -4.917 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.394 -9.213 -3.700 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.225 -6.599 -2.659 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.358 -7.622 -1.798 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.484 -8.418 -2.586 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.005 -7.970 -0.974 1.00 18.75 H new ATOM 556 N GLY A 35 -9.217 -6.786 -5.601 1.00 7.22 N ATOM 557 CA GLY A 35 -10.397 -6.197 -6.224 1.00 6.29 C ATOM 558 C GLY A 35 -10.666 -4.795 -5.762 1.00 6.93 C ATOM 559 O GLY A 35 -11.668 -4.166 -6.022 1.00 7.41 O ATOM 0 H GLY A 35 -8.368 -6.711 -6.162 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.269 -6.199 -7.306 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.265 -6.819 -6.005 1.00 6.29 H new ATOM 563 N ILE A 36 -9.836 -4.255 -4.865 1.00 5.86 N ATOM 564 CA ILE A 36 -10.062 -3.035 -4.129 1.00 6.07 C ATOM 565 C ILE A 36 -9.681 -1.771 -4.959 1.00 6.36 C ATOM 566 O ILE A 36 -8.538 -1.656 -5.366 1.00 6.18 O ATOM 567 CB ILE A 36 -9.154 -3.115 -2.917 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.727 -4.305 -2.077 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.304 -1.851 -2.024 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.922 -4.732 -0.810 1.00 9.49 C ATOM 0 H ILE A 36 -8.944 -4.690 -4.629 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.117 -2.942 -3.872 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.113 -3.218 -3.223 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.737 -4.042 -1.763 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.812 -5.172 -2.732 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.642 -1.934 -1.162 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.040 -0.965 -2.601 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.336 -1.767 -1.682 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.427 -5.565 -0.321 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.918 -5.038 -1.103 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.858 -3.891 -0.119 1.00 9.49 H new ATOM 582 N PRO A 37 -10.544 -0.819 -5.275 1.00 8.65 N ATOM 583 CA PRO A 37 -10.193 0.356 -6.056 1.00 9.18 C ATOM 584 C PRO A 37 -8.981 1.144 -5.479 1.00 9.85 C ATOM 585 O PRO A 37 -8.984 1.302 -4.258 1.00 8.51 O ATOM 586 CB PRO A 37 -11.496 1.182 -6.000 1.00 11.42 C ATOM 587 CG PRO A 37 -12.603 0.193 -5.756 1.00 9.27 C ATOM 588 CD PRO A 37 -11.945 -0.840 -4.822 1.00 8.33 C ATOM 0 HA PRO A 37 -9.865 0.107 -7.065 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.453 1.925 -5.203 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.655 1.724 -6.932 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.469 0.663 -5.291 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.948 -0.264 -6.684 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.038 -0.558 -3.773 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.393 -1.828 -4.928 1.00 8.33 H new ATOM 596 N PRO A 38 -7.892 1.636 -6.211 1.00 8.71 N ATOM 597 CA PRO A 38 -6.742 2.269 -5.557 1.00 9.08 C ATOM 598 C PRO A 38 -7.105 3.559 -4.940 1.00 9.28 C ATOM 599 O PRO A 38 -6.540 3.936 -3.912 1.00 6.50 O ATOM 600 CB PRO A 38 -5.739 2.406 -6.740 1.00 10.31 C ATOM 601 CG PRO A 38 -6.688 2.619 -7.943 1.00 10.81 C ATOM 602 CD PRO A 38 -7.940 1.820 -7.681 1.00 12.00 C ATOM 0 HA PRO A 38 -6.332 1.705 -4.720 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.059 3.247 -6.603 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.124 1.514 -6.859 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.926 3.676 -8.061 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.213 2.294 -8.868 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.837 2.354 -7.995 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.934 0.868 -8.211 1.00 12.00 H new ATOM 610 N ASP A 39 -8.079 4.244 -5.465 1.00 11.20 N ATOM 611 CA ASP A 39 -8.592 5.508 -4.923 1.00 14.96 C ATOM 612 C ASP A 39 -9.456 5.374 -3.618 1.00 13.99 C ATOM 613 O ASP A 39 -9.659 6.228 -2.814 1.00 13.75 O ATOM 614 CB ASP A 39 -9.542 6.027 -6.005 1.00 24.16 C ATOM 615 CG ASP A 39 -8.725 6.279 -7.334 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.690 6.982 -7.281 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.237 5.823 -8.384 1.00 34.22 O ATOM 0 H ASP A 39 -8.566 3.945 -6.310 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.740 6.138 -4.668 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.338 5.304 -6.184 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.018 6.951 -5.676 1.00 24.16 H new ATOM 622 N GLN A 40 -9.843 4.162 -3.331 1.00 11.60 N ATOM 623 CA GLN A 40 -10.448 3.830 -2.071 1.00 10.76 C ATOM 624 C GLN A 40 -9.421 3.367 -0.997 1.00 8.01 C ATOM 625 O GLN A 40 -9.810 3.385 0.145 1.00 8.96 O ATOM 626 CB GLN A 40 -11.444 2.653 -2.435 1.00 11.14 C ATOM 627 CG GLN A 40 -12.279 2.102 -1.282 1.00 14.85 C ATOM 628 CD GLN A 40 -12.922 0.761 -1.624 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.513 -0.239 -1.130 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.994 0.817 -2.440 1.00 18.16 N ATOM 0 H GLN A 40 -9.747 3.372 -3.969 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.933 4.698 -1.624 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.122 3.005 -3.213 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.866 1.834 -2.863 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.647 1.986 -0.401 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.057 2.820 -1.024 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.292 1.711 -2.830 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.507 -0.035 -2.667 1.00 18.16 H new ATOM 639 N GLN A 41 -8.180 2.979 -1.380 1.00 6.52 N ATOM 640 CA GLN A 41 -7.131 2.517 -0.541 1.00 3.87 C ATOM 641 C GLN A 41 -6.327 3.592 0.265 1.00 4.79 C ATOM 642 O GLN A 41 -5.676 4.444 -0.326 1.00 6.34 O ATOM 643 CB GLN A 41 -6.125 1.624 -1.254 1.00 4.20 C ATOM 644 CG GLN A 41 -6.656 0.267 -1.750 1.00 3.20 C ATOM 645 CD GLN A 41 -5.626 -0.451 -2.588 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.543 -0.769 -2.092 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.958 -0.856 -3.849 1.00 7.13 N ATOM 0 H GLN A 41 -7.902 2.995 -2.361 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.713 1.949 0.185 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.727 2.170 -2.109 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.290 1.439 -0.578 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.930 -0.353 -0.896 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.562 0.421 -2.336 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.856 -0.588 -4.251 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.308 -1.427 -4.389 1.00 7.13 H new ATOM 656 N ARG A 42 -6.391 3.518 1.618 1.00 5.73 N ATOM 657 CA ARG A 42 -5.424 4.230 2.420 1.00 6.97 C ATOM 658 C ARG A 42 -4.394 3.276 2.965 1.00 7.15 C ATOM 659 O ARG A 42 -4.649 2.204 3.557 1.00 7.33 O ATOM 660 CB ARG A 42 -6.175 4.911 3.625 1.00 13.23 C ATOM 661 CG ARG A 42 -7.175 5.922 3.048 1.00 21.27 C ATOM 662 CD ARG A 42 -7.744 6.792 4.081 1.00 26.14 C ATOM 663 NE ARG A 42 -8.663 7.817 3.468 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.574 8.544 4.177 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.866 8.193 5.470 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.190 9.616 3.630 1.00 36.39 N ATOM 0 H ARG A 42 -7.086 2.986 2.142 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.925 4.978 1.804 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.693 4.162 4.224 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.465 5.411 4.284 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.677 6.533 2.295 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.979 5.387 2.543 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.293 6.192 4.807 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.942 7.293 4.623 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.600 7.977 2.463 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.403 7.391 5.898 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.546 8.734 6.004 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.976 9.893 2.672 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.868 10.148 4.175 1.00 36.39 H new ATOM 680 N LEU A 43 -3.094 3.634 2.762 1.00 4.65 N ATOM 681 CA LEU A 43 -1.969 2.787 3.142 1.00 3.51 C ATOM 682 C LEU A 43 -1.107 3.459 4.148 1.00 5.56 C ATOM 683 O LEU A 43 -0.613 4.565 3.915 1.00 4.19 O ATOM 684 CB LEU A 43 -0.997 2.470 1.931 1.00 3.74 C ATOM 685 CG LEU A 43 -1.671 1.560 0.938 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.830 1.491 -0.382 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.847 0.126 1.607 1.00 6.41 C ATOM 0 H LEU A 43 -2.817 4.516 2.332 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.431 1.876 3.522 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.702 3.398 1.441 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.085 2.002 2.302 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.656 1.944 0.671 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.325 0.831 -1.094 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.744 2.489 -0.811 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.165 1.105 -0.160 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.334 -0.547 0.902 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.869 -0.274 1.874 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.459 0.216 2.504 1.00 6.41 H new ATOM 699 N ILE A 44 -0.861 2.880 5.296 1.00 4.58 N ATOM 700 CA ILE A 44 -0.157 3.475 6.408 1.00 5.55 C ATOM 701 C ILE A 44 1.107 2.612 6.744 1.00 5.46 C ATOM 702 O ILE A 44 0.981 1.417 7.104 1.00 6.04 O ATOM 703 CB ILE A 44 -0.936 3.593 7.665 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.107 4.632 7.587 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.038 3.988 8.885 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.186 4.447 6.511 1.00 13.90 C ATOM 0 H ILE A 44 -1.163 1.926 5.493 1.00 4.58 H new ATOM 0 HA ILE A 44 0.079 4.485 6.074 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.355 2.597 7.805 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.605 4.642 8.556 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.665 5.618 7.446 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.654 4.062 9.781 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.729 3.228 9.033 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.437 4.950 8.691 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.922 5.247 6.592 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.724 4.477 5.524 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.679 3.485 6.652 1.00 13.90 H new ATOM 718 N PHE A 45 2.270 3.267 6.765 1.00 6.75 N ATOM 719 CA PHE A 45 3.551 2.498 7.088 1.00 4.70 C ATOM 720 C PHE A 45 4.400 3.406 7.920 1.00 6.34 C ATOM 721 O PHE A 45 4.471 4.579 7.670 1.00 5.45 O ATOM 722 CB PHE A 45 4.303 2.250 5.707 1.00 5.51 C ATOM 723 CG PHE A 45 5.665 1.536 5.822 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.808 0.219 6.178 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.816 2.289 5.587 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.035 -0.302 6.594 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.097 1.805 5.980 1.00 6.64 C ATOM 728 CZ PHE A 45 8.213 0.505 6.531 1.00 6.84 C ATOM 0 H PHE A 45 2.388 4.263 6.580 1.00 6.75 H new ATOM 0 HA PHE A 45 3.352 1.558 7.603 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.655 1.660 5.059 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.455 3.211 5.216 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.948 -0.433 6.135 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.735 3.250 5.101 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.094 -1.315 6.963 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.973 2.425 5.859 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.161 0.135 6.892 1.00 6.84 H new ATOM 738 N ALA A 46 5.023 2.902 8.983 1.00 6.53 N ATOM 739 CA ALA A 46 5.729 3.710 9.978 1.00 7.15 C ATOM 740 C ALA A 46 4.870 4.701 10.805 1.00 9.00 C ATOM 741 O ALA A 46 5.327 5.692 11.371 1.00 11.15 O ATOM 742 CB ALA A 46 7.049 4.335 9.521 1.00 8.99 C ATOM 0 H ALA A 46 5.053 1.902 9.182 1.00 6.53 H new ATOM 0 HA ALA A 46 6.004 2.926 10.683 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.482 4.910 10.340 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.742 3.547 9.225 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.865 4.994 8.672 1.00 8.99 H new ATOM 748 N GLY A 47 3.515 4.440 10.906 1.00 9.35 N ATOM 749 CA GLY A 47 2.561 5.422 11.445 1.00 11.68 C ATOM 750 C GLY A 47 2.176 6.571 10.486 1.00 11.14 C ATOM 751 O GLY A 47 1.288 7.373 10.807 1.00 13.93 O ATOM 0 H GLY A 47 3.087 3.560 10.618 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.652 4.897 11.738 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.985 5.855 12.351 1.00 11.68 H new ATOM 755 N LYS A 48 2.675 6.571 9.241 1.00 10.47 N ATOM 756 CA LYS A 48 2.522 7.599 8.211 1.00 8.82 C ATOM 757 C LYS A 48 1.683 7.114 7.066 1.00 7.68 C ATOM 758 O LYS A 48 1.975 6.053 6.510 1.00 6.47 O ATOM 759 CB LYS A 48 3.847 8.013 7.655 1.00 9.74 C ATOM 760 CG LYS A 48 4.790 8.717 8.602 1.00 14.14 C ATOM 761 CD LYS A 48 4.582 10.261 8.619 1.00 16.32 C ATOM 762 CE LYS A 48 5.346 10.849 9.791 1.00 20.04 C ATOM 763 NZ LYS A 48 5.541 12.295 9.743 1.00 23.92 N ATOM 0 H LYS A 48 3.239 5.790 8.906 1.00 10.47 H new ATOM 0 HA LYS A 48 2.035 8.444 8.698 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.349 7.124 7.274 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.669 8.669 6.803 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.648 8.324 9.609 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.818 8.496 8.316 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.932 10.698 7.684 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.521 10.497 8.704 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.817 10.600 10.711 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.323 10.368 9.845 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.071 12.602 10.583 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.075 12.545 8.886 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.616 12.770 9.725 1.00 23.92 H new ATOM 777 N GLN A 49 0.626 7.839 6.729 1.00 8.89 N ATOM 778 CA GLN A 49 -0.177 7.578 5.563 1.00 7.18 C ATOM 779 C GLN A 49 0.575 7.944 4.245 1.00 8.23 C ATOM 780 O GLN A 49 1.170 9.021 4.100 1.00 9.70 O ATOM 781 CB GLN A 49 -1.544 8.386 5.604 1.00 11.67 C ATOM 782 CG GLN A 49 -2.431 8.143 4.351 1.00 15.82 C ATOM 783 CD GLN A 49 -3.809 8.668 4.663 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.539 8.140 5.473 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.215 9.822 4.113 1.00 20.67 N ATOM 0 H GLN A 49 0.304 8.638 7.275 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.384 6.508 5.573 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.101 8.102 6.497 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.328 9.451 5.688 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.014 8.652 3.482 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.471 7.081 4.110 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.626 10.295 3.427 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.112 10.227 4.381 1.00 20.67 H new ATOM 794 N LEU A 50 0.700 7.024 3.280 1.00 6.51 N ATOM 795 CA LEU A 50 1.614 7.065 2.156 1.00 7.41 C ATOM 796 C LEU A 50 0.938 7.824 0.968 1.00 8.27 C ATOM 797 O LEU A 50 -0.249 7.655 0.688 1.00 8.34 O ATOM 798 CB LEU A 50 2.195 5.674 1.637 1.00 7.13 C ATOM 799 CG LEU A 50 2.725 4.793 2.780 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.418 3.502 2.243 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.781 5.510 3.670 1.00 9.11 C ATOM 0 H LEU A 50 0.124 6.182 3.273 1.00 6.51 H new ATOM 0 HA LEU A 50 2.489 7.585 2.544 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.414 5.136 1.100 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.999 5.863 0.926 1.00 7.13 H new ATOM 0 HG LEU A 50 1.838 4.557 3.368 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.779 2.907 3.082 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.702 2.918 1.665 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.258 3.778 1.606 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.114 4.833 4.457 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.634 5.802 3.058 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.336 6.398 4.119 1.00 9.11 H new ATOM 813 N GLU A 51 1.732 8.619 0.262 1.00 9.43 N ATOM 814 CA GLU A 51 1.299 9.479 -0.814 1.00 11.90 C ATOM 815 C GLU A 51 1.761 8.945 -2.215 1.00 11.49 C ATOM 816 O GLU A 51 2.892 8.504 -2.396 1.00 9.88 O ATOM 817 CB GLU A 51 1.639 11.008 -0.689 1.00 16.56 C ATOM 818 CG GLU A 51 1.088 11.520 0.661 1.00 26.06 C ATOM 819 CD GLU A 51 1.055 13.071 0.738 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.255 13.666 -0.013 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.851 13.647 1.498 1.00 32.13 O ATOM 0 H GLU A 51 2.735 8.679 0.437 1.00 9.43 H new ATOM 0 HA GLU A 51 0.214 9.429 -0.723 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.717 11.163 -0.742 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.196 11.564 -1.515 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.081 11.130 0.811 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.704 11.132 1.472 1.00 26.06 H new ATOM 828 N ASP A 52 0.760 8.998 -3.141 1.00 12.71 N ATOM 829 CA ASP A 52 0.686 8.314 -4.419 1.00 16.56 C ATOM 830 C ASP A 52 1.795 8.713 -5.395 1.00 15.83 C ATOM 831 O ASP A 52 2.132 7.910 -6.229 1.00 17.21 O ATOM 832 CB ASP A 52 -0.658 8.406 -5.067 1.00 21.05 C ATOM 833 CG ASP A 52 -1.692 8.362 -3.975 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.928 9.430 -3.345 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.234 7.197 -3.768 1.00 25.82 O ATOM 0 H ASP A 52 -0.068 9.570 -2.978 1.00 12.71 H new ATOM 0 HA ASP A 52 0.849 7.266 -4.167 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.745 9.329 -5.640 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.804 7.582 -5.766 1.00 21.05 H new ATOM 840 N GLY A 53 2.330 9.949 -5.304 1.00 15.00 N ATOM 841 CA GLY A 53 3.429 10.474 -6.123 1.00 11.77 C ATOM 842 C GLY A 53 4.806 10.273 -5.597 1.00 11.10 C ATOM 843 O GLY A 53 5.765 10.767 -6.172 1.00 11.25 O ATOM 0 H GLY A 53 1.989 10.632 -4.628 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.370 10.012 -7.109 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.270 11.543 -6.262 1.00 11.77 H new ATOM 847 N ARG A 54 4.960 9.687 -4.455 1.00 8.53 N ATOM 848 CA ARG A 54 6.214 9.377 -3.862 1.00 9.05 C ATOM 849 C ARG A 54 6.322 7.845 -4.075 1.00 8.96 C ATOM 850 O ARG A 54 5.496 7.160 -4.578 1.00 11.60 O ATOM 851 CB ARG A 54 6.281 9.713 -2.404 1.00 7.97 C ATOM 852 CG ARG A 54 5.943 11.201 -2.125 1.00 9.62 C ATOM 853 CD ARG A 54 5.948 11.390 -0.606 1.00 12.20 C ATOM 854 NE ARG A 54 5.895 12.891 -0.347 1.00 18.23 N ATOM 855 CZ ARG A 54 6.973 13.666 -0.394 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.251 13.285 -0.594 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.819 15.003 -0.224 1.00 23.38 N ATOM 0 H ARG A 54 4.168 9.397 -3.881 1.00 8.53 H new ATOM 0 HA ARG A 54 7.026 9.954 -4.305 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.587 9.076 -1.855 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.281 9.494 -2.029 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.675 11.857 -2.597 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.969 11.459 -2.541 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.093 10.889 -0.152 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.844 10.953 -0.165 1.00 12.20 H new ATOM 0 HE ARG A 54 4.995 13.318 -0.129 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.474 12.299 -0.731 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.995 13.983 -0.608 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.890 15.393 -0.064 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.632 15.618 -0.256 1.00 23.38 H new ATOM 871 N THR A 55 7.535 7.303 -3.691 1.00 9.05 N ATOM 872 CA THR A 55 8.039 5.986 -3.926 1.00 9.03 C ATOM 873 C THR A 55 8.375 5.353 -2.584 1.00 8.15 C ATOM 874 O THR A 55 8.495 5.995 -1.576 1.00 5.91 O ATOM 875 CB THR A 55 9.270 5.892 -4.786 1.00 11.15 C ATOM 876 OG1 THR A 55 10.283 6.832 -4.422 1.00 11.95 O ATOM 877 CG2 THR A 55 8.905 6.284 -6.265 1.00 11.71 C ATOM 0 H THR A 55 8.207 7.864 -3.167 1.00 9.05 H new ATOM 0 HA THR A 55 7.247 5.475 -4.474 1.00 9.03 H new ATOM 0 HB THR A 55 9.630 4.870 -4.666 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.078 6.352 -4.108 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.796 6.217 -6.890 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.143 5.603 -6.644 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.523 7.305 -6.287 1.00 11.71 H new ATOM 885 N LEU A 56 8.444 3.972 -2.604 1.00 6.91 N ATOM 886 CA LEU A 56 8.996 3.012 -1.684 1.00 8.29 C ATOM 887 C LEU A 56 10.353 3.408 -1.301 1.00 8.05 C ATOM 888 O LEU A 56 10.676 3.550 -0.093 1.00 10.17 O ATOM 889 CB LEU A 56 9.021 1.574 -2.244 1.00 6.60 C ATOM 890 CG LEU A 56 7.662 0.851 -2.340 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.066 1.073 -3.733 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.752 -0.670 -2.048 1.00 8.64 C ATOM 0 H LEU A 56 8.042 3.479 -3.402 1.00 6.91 H new ATOM 0 HA LEU A 56 8.339 3.006 -0.814 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.464 1.603 -3.240 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.683 0.975 -1.618 1.00 6.60 H new ATOM 0 HG LEU A 56 7.020 1.279 -1.570 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.105 0.563 -3.803 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.923 2.140 -3.902 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.745 0.674 -4.487 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.761 -1.116 -2.133 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.424 -1.139 -2.767 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.134 -0.825 -1.039 1.00 8.64 H new ATOM 904 N SER A 57 11.261 3.795 -2.213 1.00 8.92 N ATOM 905 CA SER A 57 12.519 4.474 -1.920 1.00 9.00 C ATOM 906 C SER A 57 12.378 5.779 -1.144 1.00 9.44 C ATOM 907 O SER A 57 13.145 6.004 -0.165 1.00 10.91 O ATOM 908 CB SER A 57 13.385 4.801 -3.184 1.00 10.32 C ATOM 909 OG SER A 57 12.636 5.554 -4.159 1.00 13.59 O ATOM 0 H SER A 57 11.126 3.634 -3.211 1.00 8.92 H new ATOM 0 HA SER A 57 13.018 3.729 -1.300 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.267 5.367 -2.885 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.739 3.873 -3.633 1.00 10.32 H new ATOM 0 HG SER A 57 13.205 5.743 -4.934 1.00 13.59 H new ATOM 915 N ASP A 58 11.414 6.706 -1.444 1.00 9.11 N ATOM 916 CA ASP A 58 11.374 7.980 -0.771 1.00 7.91 C ATOM 917 C ASP A 58 10.799 7.824 0.632 1.00 9.12 C ATOM 918 O ASP A 58 11.009 8.655 1.509 1.00 8.61 O ATOM 919 CB ASP A 58 10.581 8.947 -1.711 1.00 8.41 C ATOM 920 CG ASP A 58 10.529 10.318 -1.194 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.621 10.973 -1.283 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.504 10.850 -0.730 1.00 11.70 O ATOM 0 H ASP A 58 10.681 6.568 -2.140 1.00 9.11 H new ATOM 0 HA ASP A 58 12.363 8.405 -0.601 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.046 8.952 -2.697 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.566 8.572 -1.839 1.00 8.41 H new ATOM 927 N TYR A 59 10.158 6.636 0.929 1.00 7.97 N ATOM 928 CA TYR A 59 9.734 6.362 2.294 1.00 8.45 C ATOM 929 C TYR A 59 10.698 5.453 3.086 1.00 10.98 C ATOM 930 O TYR A 59 10.453 5.062 4.211 1.00 12.95 O ATOM 931 CB TYR A 59 8.365 5.678 2.303 1.00 7.94 C ATOM 932 CG TYR A 59 7.254 6.689 2.101 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.989 7.674 3.081 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.495 6.816 0.888 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.998 8.688 2.857 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.475 7.766 0.682 1.00 6.52 C ATOM 937 CZ TYR A 59 5.295 8.710 1.670 1.00 6.76 C ATOM 938 OH TYR A 59 4.187 9.627 1.537 1.00 7.63 O ATOM 0 H TYR A 59 9.946 5.903 0.252 1.00 7.97 H new ATOM 0 HA TYR A 59 9.709 7.339 2.777 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.325 4.925 1.516 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.220 5.157 3.249 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.540 7.663 4.010 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.722 6.137 0.079 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.803 9.432 3.616 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.863 7.755 -0.208 1.00 6.52 H new ATOM 0 HH TYR A 59 4.351 10.421 2.088 1.00 7.63 H new ATOM 948 N ASN A 60 11.817 5.021 2.458 1.00 12.38 N ATOM 949 CA ASN A 60 12.674 4.065 3.116 1.00 13.94 C ATOM 950 C ASN A 60 12.066 2.708 3.275 1.00 14.16 C ATOM 951 O ASN A 60 12.199 2.041 4.303 1.00 14.26 O ATOM 952 CB ASN A 60 13.309 4.515 4.472 1.00 19.23 C ATOM 953 CG ASN A 60 13.989 5.855 4.254 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.757 5.941 3.311 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.840 6.883 5.061 1.00 24.09 N ATOM 0 H ASN A 60 12.122 5.318 1.531 1.00 12.38 H new ATOM 0 HA ASN A 60 13.495 4.006 2.401 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.542 4.598 5.242 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.030 3.775 4.819 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.364 7.742 4.895 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.200 6.821 5.853 1.00 24.09 H new ATOM 962 N ILE A 61 11.324 2.178 2.300 1.00 11.08 N ATOM 963 CA ILE A 61 10.732 0.903 2.413 1.00 11.78 C ATOM 964 C ILE A 61 11.625 -0.187 1.828 1.00 13.74 C ATOM 965 O ILE A 61 12.072 -0.106 0.701 1.00 14.60 O ATOM 966 CB ILE A 61 9.348 0.822 1.751 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.369 1.875 2.363 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.713 -0.562 1.876 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.046 2.157 1.617 1.00 11.42 C ATOM 0 H ILE A 61 11.134 2.649 1.415 1.00 11.08 H new ATOM 0 HA ILE A 61 10.607 0.739 3.483 1.00 11.78 H new ATOM 0 HB ILE A 61 9.513 1.031 0.694 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.120 1.551 3.373 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.908 2.818 2.454 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.737 -0.560 1.390 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.355 -1.301 1.397 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.593 -0.814 2.930 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.474 2.908 2.162 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.265 2.524 0.614 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.464 1.238 1.548 1.00 11.42 H new ATOM 981 N GLN A 62 11.860 -1.256 2.614 1.00 13.97 N ATOM 982 CA GLN A 62 12.758 -2.304 2.367 1.00 15.52 C ATOM 983 C GLN A 62 12.091 -3.573 1.984 1.00 13.94 C ATOM 984 O GLN A 62 10.840 -3.718 1.964 1.00 12.15 O ATOM 985 CB GLN A 62 13.522 -2.544 3.740 1.00 19.53 C ATOM 986 CG GLN A 62 14.374 -1.285 4.174 1.00 26.38 C ATOM 987 CD GLN A 62 15.460 -1.050 3.151 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.390 -0.015 2.465 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.413 -1.931 3.005 1.00 32.71 N ATOM 0 H GLN A 62 11.367 -1.380 3.498 1.00 13.97 H new ATOM 0 HA GLN A 62 13.406 -2.029 1.535 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.799 -2.778 4.521 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.178 -3.409 3.643 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.734 -0.406 4.252 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.813 -1.448 5.158 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.430 -2.766 3.591 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.140 -1.784 2.305 1.00 32.71 H new ATOM 998 N LYS A 63 12.939 -4.568 1.613 1.00 11.73 N ATOM 999 CA LYS A 63 12.528 -5.969 1.485 1.00 11.97 C ATOM 1000 C LYS A 63 11.920 -6.617 2.768 1.00 10.41 C ATOM 1001 O LYS A 63 12.423 -6.645 3.906 1.00 9.59 O ATOM 1002 CB LYS A 63 13.608 -6.915 0.862 1.00 13.73 C ATOM 1003 CG LYS A 63 14.894 -7.008 1.672 1.00 16.98 C ATOM 1004 CD LYS A 63 15.942 -7.924 0.969 1.00 20.19 C ATOM 1005 CE LYS A 63 15.723 -9.474 0.944 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.859 -10.119 2.251 1.00 25.97 N ATOM 0 H LYS A 63 13.923 -4.409 1.397 1.00 11.73 H new ATOM 0 HA LYS A 63 11.713 -5.880 0.767 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.184 -7.914 0.757 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.848 -6.564 -0.142 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.313 -6.011 1.809 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.673 -7.400 2.665 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.025 -7.590 -0.065 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.906 -7.739 1.442 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.729 -9.683 0.550 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.440 -9.920 0.255 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.700 -11.142 2.152 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.816 -9.952 2.623 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.158 -9.722 2.909 1.00 25.97 H new ATOM 1020 N GLU A 64 10.660 -7.135 2.613 1.00 10.04 N ATOM 1021 CA GLU A 64 9.833 -7.913 3.537 1.00 10.94 C ATOM 1022 C GLU A 64 9.042 -7.099 4.586 1.00 9.74 C ATOM 1023 O GLU A 64 8.506 -7.664 5.547 1.00 9.42 O ATOM 1024 CB GLU A 64 10.607 -9.118 4.103 1.00 18.31 C ATOM 1025 CG GLU A 64 10.989 -10.207 3.049 1.00 24.16 C ATOM 1026 CD GLU A 64 11.907 -11.250 3.628 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.262 -11.121 4.843 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.292 -12.245 2.919 1.00 31.72 O ATOM 0 H GLU A 64 10.164 -6.990 1.734 1.00 10.04 H new ATOM 0 HA GLU A 64 9.021 -8.316 2.931 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.519 -8.756 4.577 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.006 -9.584 4.884 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.083 -10.686 2.677 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.472 -9.732 2.195 1.00 24.16 H new ATOM 1035 N SER A 65 8.942 -5.784 4.429 1.00 6.85 N ATOM 1036 CA SER A 65 8.265 -4.823 5.258 1.00 6.90 C ATOM 1037 C SER A 65 6.747 -4.938 5.264 1.00 4.72 C ATOM 1038 O SER A 65 6.100 -5.405 4.344 1.00 3.91 O ATOM 1039 CB SER A 65 8.574 -3.422 4.770 1.00 7.28 C ATOM 1040 OG SER A 65 9.892 -3.130 5.265 1.00 10.56 O ATOM 0 H SER A 65 9.384 -5.328 3.630 1.00 6.85 H new ATOM 0 HA SER A 65 8.628 -5.027 6.265 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.542 -3.368 3.682 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.845 -2.705 5.146 1.00 7.28 H new ATOM 0 HG SER A 65 10.156 -2.230 4.981 1.00 10.56 H new ATOM 1046 N THR A 66 6.146 -4.453 6.349 1.00 4.48 N ATOM 1047 CA THR A 66 4.683 -4.580 6.561 1.00 3.80 C ATOM 1048 C THR A 66 3.963 -3.258 6.429 1.00 4.60 C ATOM 1049 O THR A 66 4.305 -2.415 7.240 1.00 5.33 O ATOM 1050 CB THR A 66 4.365 -5.157 7.938 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.862 -6.465 8.025 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.903 -5.378 8.079 1.00 3.40 C ATOM 0 H THR A 66 6.637 -3.968 7.100 1.00 4.48 H new ATOM 0 HA THR A 66 4.333 -5.256 5.781 1.00 3.80 H new ATOM 0 HB THR A 66 4.780 -4.465 8.671 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.659 -6.834 8.910 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.691 -5.790 9.066 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.379 -4.430 7.961 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.565 -6.077 7.314 1.00 3.40 H new ATOM 1060 N LEU A 67 2.993 -3.213 5.529 1.00 4.17 N ATOM 1061 CA LEU A 67 2.083 -2.141 5.262 1.00 3.85 C ATOM 1062 C LEU A 67 0.714 -2.491 5.787 1.00 3.80 C ATOM 1063 O LEU A 67 0.304 -3.656 5.840 1.00 5.54 O ATOM 1064 CB LEU A 67 1.808 -1.869 3.715 1.00 7.18 C ATOM 1065 CG LEU A 67 2.933 -1.668 2.731 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.365 -1.477 1.352 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.683 -0.383 3.145 1.00 11.66 C ATOM 0 H LEU A 67 2.818 -4.009 4.916 1.00 4.17 H new ATOM 0 HA LEU A 67 2.557 -1.276 5.726 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.214 -2.706 3.348 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.177 -0.982 3.658 1.00 7.18 H new ATOM 0 HG LEU A 67 3.599 -2.530 2.727 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.178 -1.332 0.641 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.789 -2.359 1.070 1.00 8.12 H new ATOM 0 HD13 LEU A 67 1.715 -0.602 1.344 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.507 -0.204 2.454 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.997 0.463 3.119 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.076 -0.500 4.155 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.091 -1.449 6.138 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.351 -1.620 6.810 1.00 4.17 C ATOM 1081 C HIS A 68 -2.340 -0.867 5.916 1.00 5.32 C ATOM 1082 O HIS A 68 -2.122 0.224 5.447 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.228 -0.951 8.201 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.083 -1.371 8.957 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.042 -0.591 9.052 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.154 -2.511 9.615 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.950 -1.365 9.730 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.474 -2.519 10.039 1.00 16.30 N ATOM 0 H HIS A 68 0.143 -0.475 5.949 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.658 -2.655 6.962 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.186 0.130 8.069 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.128 -1.167 8.776 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.174 0.356 8.697 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.566 -3.297 9.788 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.951 -1.042 9.976 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.437 -1.568 5.535 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.408 -1.172 4.607 1.00 3.97 C ATOM 1098 C LEU A 69 -5.634 -0.793 5.357 1.00 5.07 C ATOM 1099 O LEU A 69 -6.147 -1.505 6.215 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.718 -2.335 3.667 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.862 -2.050 2.651 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.425 -0.903 1.712 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.049 -3.300 1.780 1.00 9.96 C ATOM 0 H LEU A 69 -3.638 -2.489 5.926 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.050 -0.328 4.017 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.814 -2.592 3.115 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.986 -3.207 4.263 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.776 -1.789 3.184 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.220 -0.696 0.996 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.224 -0.008 2.300 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.522 -1.195 1.176 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.847 -3.125 1.059 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.121 -3.516 1.250 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.311 -4.148 2.412 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.094 0.434 5.029 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.272 1.063 5.563 1.00 6.26 C ATOM 1117 C VAL A 70 -8.094 1.331 4.292 1.00 9.22 C ATOM 1118 O VAL A 70 -7.554 1.595 3.237 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.034 2.361 6.417 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.424 3.046 6.637 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.395 2.047 7.721 1.00 8.54 C ATOM 0 H VAL A 70 -5.614 1.023 4.349 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.763 0.429 6.301 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.355 3.029 5.888 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.293 3.952 7.228 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.860 3.302 5.672 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.088 2.361 7.165 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.246 2.968 8.284 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.038 1.375 8.289 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.432 1.567 7.548 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.428 1.201 4.279 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.214 1.633 3.090 1.00 16.06 C ATOM 1133 C LEU A 71 -11.152 2.754 3.379 1.00 18.09 C ATOM 1134 O LEU A 71 -11.728 2.867 4.444 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.109 0.512 2.645 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.442 -0.838 2.160 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.563 -1.871 1.758 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.368 -0.615 1.096 1.00 19.57 C ATOM 0 H LEU A 71 -9.980 0.815 5.045 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.473 1.935 2.350 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.778 0.273 3.472 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.730 0.886 1.831 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.889 -1.280 2.989 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.100 -2.799 1.425 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.199 -2.072 2.620 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.167 -1.457 0.951 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.944 -1.575 0.800 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.812 -0.131 0.226 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.580 0.020 1.502 1.00 19.57 H new