USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.916 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.06 K(o=2,f=0.026) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.173 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.0868) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.26 (180deg=1.98) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 14 THR OG1 : rot -68:sc= 0.305 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.39 (180deg=1.38) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 1.25 (180deg=-0.449) USER MOD Single : A 31 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 0.799 K(o=0.8,f=-6.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.368 K(o=0.37,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot -50:sc= 1.08 USER MOD Single : A 57 SER OG : rot 76:sc= 0.868 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.558 USER MOD Single : A 60 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.02) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -0.0488 (180deg=-0.183) USER MOD Single : A 65 SER OG : rot -128:sc= 0.0358 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.094 -6.874 -5.314 1.00 9.67 N ATOM 2 CA MET A 1 11.213 -7.302 -3.898 1.00 10.38 C ATOM 3 C MET A 1 9.833 -7.723 -3.311 1.00 9.62 C ATOM 4 O MET A 1 8.880 -7.610 -4.025 1.00 9.62 O ATOM 5 CB MET A 1 11.998 -6.218 -3.115 1.00 13.77 C ATOM 6 CG MET A 1 11.227 -4.954 -2.694 1.00 16.29 C ATOM 7 SD MET A 1 12.219 -3.887 -1.610 1.00 17.17 S ATOM 8 CE MET A 1 10.895 -2.693 -1.250 1.00 16.11 C ATOM 0 H1 MET A 1 12.038 -6.845 -5.749 1.00 9.67 H new ATOM 0 H2 MET A 1 10.495 -7.549 -5.831 1.00 9.67 H new ATOM 0 H3 MET A 1 10.665 -5.928 -5.356 1.00 9.67 H new ATOM 0 HA MET A 1 11.799 -8.216 -3.806 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.405 -6.680 -2.216 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.846 -5.908 -3.726 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.932 -4.396 -3.582 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.310 -5.242 -2.180 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.334 -1.754 -0.914 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.308 -2.517 -2.152 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.248 -3.092 -0.468 1.00 16.11 H new ATOM 20 N GLN A 2 9.797 -8.344 -2.140 1.00 9.27 N ATOM 21 CA GLN A 2 8.651 -8.806 -1.408 1.00 9.07 C ATOM 22 C GLN A 2 8.236 -7.810 -0.280 1.00 8.72 C ATOM 23 O GLN A 2 9.112 -7.318 0.451 1.00 8.22 O ATOM 24 CB GLN A 2 8.930 -10.216 -0.716 1.00 14.46 C ATOM 25 CG GLN A 2 7.780 -10.920 -0.052 1.00 17.01 C ATOM 26 CD GLN A 2 8.326 -12.241 0.511 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.170 -12.226 1.420 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.882 -13.382 -0.057 1.00 19.49 N ATOM 0 H GLN A 2 10.661 -8.552 -1.639 1.00 9.27 H new ATOM 0 HA GLN A 2 7.849 -8.892 -2.141 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.337 -10.885 -1.475 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.709 -10.071 0.032 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.360 -10.306 0.745 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.978 -11.107 -0.766 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.186 -13.344 -0.802 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.242 -14.283 0.259 1.00 19.49 H new ATOM 37 N ILE A 3 6.907 -7.563 -0.174 1.00 5.87 N ATOM 38 CA ILE A 3 6.327 -6.884 1.017 1.00 5.07 C ATOM 39 C ILE A 3 5.023 -7.539 1.334 1.00 4.01 C ATOM 40 O ILE A 3 4.341 -8.208 0.564 1.00 4.61 O ATOM 41 CB ILE A 3 6.243 -5.336 0.967 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.216 -4.881 -0.125 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.584 -4.677 0.732 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.816 -3.412 -0.145 1.00 10.83 C ATOM 0 H ILE A 3 6.223 -7.819 -0.886 1.00 5.87 H new ATOM 0 HA ILE A 3 7.036 -7.020 1.834 1.00 5.07 H new ATOM 0 HB ILE A 3 5.901 -5.010 1.950 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.631 -5.130 -1.102 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.310 -5.475 -0.003 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.458 -3.595 0.707 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.267 -4.945 1.538 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.994 -5.016 -0.219 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.102 -3.240 -0.950 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.359 -3.146 0.808 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.701 -2.796 -0.308 1.00 10.83 H new ATOM 56 N PHE A 4 4.561 -7.290 2.570 1.00 4.55 N ATOM 57 CA PHE A 4 3.279 -7.905 2.998 1.00 4.68 C ATOM 58 C PHE A 4 2.356 -6.737 3.239 1.00 5.30 C ATOM 59 O PHE A 4 2.771 -5.641 3.658 1.00 5.58 O ATOM 60 CB PHE A 4 3.401 -8.651 4.323 1.00 4.83 C ATOM 61 CG PHE A 4 4.431 -9.673 4.181 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.118 -10.900 3.543 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.761 -9.376 4.511 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.168 -11.782 3.230 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.781 -10.246 4.157 1.00 10.61 C ATOM 66 CZ PHE A 4 6.497 -11.481 3.525 1.00 8.90 C ATOM 0 H PHE A 4 5.021 -6.701 3.264 1.00 4.55 H new ATOM 0 HA PHE A 4 2.942 -8.617 2.245 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.660 -7.960 5.125 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.448 -9.107 4.591 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.096 -11.152 3.303 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.992 -8.465 5.043 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.938 -12.720 2.747 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.806 -9.978 4.366 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.289 -12.172 3.278 1.00 8.90 H new ATOM 76 N VAL A 5 1.060 -6.923 3.030 1.00 4.44 N ATOM 77 CA VAL A 5 0.078 -5.852 3.321 1.00 3.87 C ATOM 78 C VAL A 5 -1.073 -6.415 4.132 1.00 4.93 C ATOM 79 O VAL A 5 -1.590 -7.463 3.796 1.00 6.84 O ATOM 80 CB VAL A 5 -0.429 -5.079 2.119 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.293 -3.989 2.512 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.701 -4.564 1.240 1.00 9.13 C ATOM 0 H VAL A 5 0.655 -7.786 2.666 1.00 4.44 H new ATOM 0 HA VAL A 5 0.626 -5.108 3.899 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.011 -5.786 1.528 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.636 -3.459 1.624 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.152 -4.383 3.054 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.743 -3.302 3.155 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.284 -4.018 0.394 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.340 -3.899 1.821 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.290 -5.405 0.874 1.00 9.13 H new ATOM 92 N LYS A 6 -1.446 -5.717 5.230 1.00 6.04 N ATOM 93 CA LYS A 6 -2.495 -6.239 6.065 1.00 6.12 C ATOM 94 C LYS A 6 -3.764 -5.504 5.728 1.00 6.57 C ATOM 95 O LYS A 6 -3.850 -4.325 6.031 1.00 5.76 O ATOM 96 CB LYS A 6 -2.208 -5.981 7.525 1.00 7.45 C ATOM 97 CG LYS A 6 -0.978 -6.665 7.990 1.00 11.12 C ATOM 98 CD LYS A 6 -0.881 -8.171 7.914 1.00 14.54 C ATOM 99 CE LYS A 6 -2.013 -8.981 8.502 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.233 -8.730 9.941 1.00 20.55 N ATOM 0 H LYS A 6 -1.042 -4.830 5.530 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.575 -7.313 5.894 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.107 -4.908 7.688 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.055 -6.316 8.123 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.144 -6.256 7.420 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.822 -6.381 9.031 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.781 -8.448 6.864 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.040 -8.473 8.412 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.930 -8.756 7.958 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.806 -10.041 8.354 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.022 -9.317 10.279 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.371 -8.970 10.471 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.461 -7.726 10.087 1.00 20.55 H new ATOM 114 N THR A 7 -4.774 -6.120 5.137 1.00 7.41 N ATOM 115 CA THR A 7 -6.077 -5.540 4.903 1.00 7.48 C ATOM 116 C THR A 7 -6.966 -5.090 6.116 1.00 8.75 C ATOM 117 O THR A 7 -6.530 -5.186 7.267 1.00 8.58 O ATOM 118 CB THR A 7 -6.934 -6.431 4.029 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.553 -7.561 4.614 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.218 -6.749 2.747 1.00 9.17 C ATOM 0 H THR A 7 -4.701 -7.078 4.794 1.00 7.41 H new ATOM 0 HA THR A 7 -5.771 -4.607 4.429 1.00 7.48 H new ATOM 0 HB THR A 7 -7.813 -5.818 3.829 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.073 -8.038 3.934 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.846 -7.390 2.129 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.004 -5.824 2.211 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.283 -7.263 2.970 1.00 9.17 H new ATOM 128 N LEU A 8 -8.132 -4.465 5.767 1.00 9.84 N ATOM 129 CA LEU A 8 -9.053 -4.053 6.818 1.00 14.15 C ATOM 130 C LEU A 8 -9.567 -5.238 7.587 1.00 17.37 C ATOM 131 O LEU A 8 -9.598 -5.232 8.846 1.00 17.01 O ATOM 132 CB LEU A 8 -10.210 -3.272 6.200 1.00 16.63 C ATOM 133 CG LEU A 8 -11.067 -2.472 7.202 1.00 18.88 C ATOM 134 CD1 LEU A 8 -12.322 -3.189 7.694 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.257 -1.797 8.300 1.00 18.59 C ATOM 0 H LEU A 8 -8.426 -4.254 4.813 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.519 -3.414 7.521 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.807 -2.582 5.458 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.857 -3.970 5.669 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.468 -1.650 6.608 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.857 -2.547 8.393 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.967 -3.418 6.845 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.039 -4.115 8.195 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.928 -1.254 8.966 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.715 -2.552 8.869 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.547 -1.101 7.853 1.00 18.59 H new ATOM 147 N THR A 9 -9.906 -6.352 6.990 1.00 18.33 N ATOM 148 CA THR A 9 -10.411 -7.524 7.748 1.00 19.24 C ATOM 149 C THR A 9 -9.350 -8.413 8.344 1.00 19.48 C ATOM 150 O THR A 9 -9.494 -9.167 9.295 1.00 23.14 O ATOM 151 CB THR A 9 -11.439 -8.324 6.950 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.830 -8.862 5.771 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.535 -7.320 6.464 1.00 19.70 C ATOM 0 H THR A 9 -9.850 -6.496 5.982 1.00 18.33 H new ATOM 0 HA THR A 9 -10.913 -7.086 8.610 1.00 19.24 H new ATOM 0 HB THR A 9 -11.842 -9.125 7.570 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.494 -9.375 5.265 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.290 -7.856 5.888 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.004 -6.848 7.327 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.076 -6.555 5.837 1.00 19.70 H new ATOM 161 N GLY A 10 -8.117 -8.237 7.821 1.00 19.43 N ATOM 162 CA GLY A 10 -6.813 -8.726 8.391 1.00 18.74 C ATOM 163 C GLY A 10 -6.088 -9.683 7.510 1.00 17.62 C ATOM 164 O GLY A 10 -5.145 -10.379 7.954 1.00 19.74 O ATOM 0 H GLY A 10 -7.982 -7.727 6.948 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.169 -7.868 8.586 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.005 -9.205 9.351 1.00 18.74 H new ATOM 168 N LYS A 11 -6.524 -9.820 6.229 1.00 13.56 N ATOM 169 CA LYS A 11 -5.883 -10.678 5.290 1.00 11.91 C ATOM 170 C LYS A 11 -4.510 -10.097 4.874 1.00 10.18 C ATOM 171 O LYS A 11 -4.297 -8.949 4.649 1.00 9.10 O ATOM 172 CB LYS A 11 -6.702 -10.922 4.040 1.00 13.43 C ATOM 173 CG LYS A 11 -6.121 -11.872 2.967 1.00 16.69 C ATOM 174 CD LYS A 11 -7.133 -12.188 1.833 1.00 17.92 C ATOM 175 CE LYS A 11 -6.470 -13.003 0.713 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.493 -13.084 -0.406 1.00 21.93 N ATOM 0 H LYS A 11 -7.332 -9.324 5.853 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.761 -11.634 5.799 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.671 -11.317 4.347 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.886 -9.957 3.568 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.227 -11.422 2.535 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.812 -12.803 3.442 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.978 -12.743 2.240 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.529 -11.258 1.425 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.554 -12.522 0.370 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.196 -13.998 1.064 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.249 -13.869 -1.043 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.437 -13.247 -0.002 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.494 -12.192 -0.940 1.00 21.93 H new ATOM 190 N THR A 12 -3.472 -10.968 4.924 1.00 9.63 N ATOM 191 CA THR A 12 -2.123 -10.594 4.539 1.00 9.85 C ATOM 192 C THR A 12 -2.064 -10.905 3.064 1.00 11.66 C ATOM 193 O THR A 12 -2.318 -11.997 2.597 1.00 12.33 O ATOM 194 CB THR A 12 -1.020 -11.437 5.107 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.968 -11.351 6.519 1.00 10.91 O ATOM 196 CG2 THR A 12 0.405 -10.963 4.665 1.00 9.63 C ATOM 0 H THR A 12 -3.563 -11.936 5.232 1.00 9.63 H new ATOM 0 HA THR A 12 -1.968 -9.568 4.873 1.00 9.85 H new ATOM 0 HB THR A 12 -1.249 -12.439 4.743 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.239 -11.914 6.854 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.159 -11.613 5.109 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.482 -11.007 3.579 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.568 -9.938 4.999 1.00 9.63 H new ATOM 204 N ILE A 13 -1.635 -9.950 2.197 1.00 10.42 N ATOM 205 CA ILE A 13 -1.282 -10.227 0.800 1.00 11.84 C ATOM 206 C ILE A 13 0.184 -10.079 0.665 1.00 10.55 C ATOM 207 O ILE A 13 0.748 -9.227 1.282 1.00 11.92 O ATOM 208 CB ILE A 13 -2.006 -9.334 -0.200 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.972 -7.837 0.034 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.467 -9.863 -0.285 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.899 -6.989 -0.868 1.00 16.46 C ATOM 0 H ILE A 13 -1.528 -8.970 2.458 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.601 -11.242 0.563 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.458 -9.411 -1.139 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.236 -7.646 1.074 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.948 -7.491 -0.104 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.033 -9.256 -0.991 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.460 -10.900 -0.622 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.933 -9.805 0.699 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.791 -5.935 -0.612 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.626 -7.138 -1.913 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.934 -7.295 -0.716 1.00 16.46 H new ATOM 223 N THR A 14 0.805 -10.990 -0.139 1.00 9.39 N ATOM 224 CA THR A 14 2.239 -10.896 -0.321 1.00 9.63 C ATOM 225 C THR A 14 2.429 -10.231 -1.706 1.00 11.20 C ATOM 226 O THR A 14 1.856 -10.650 -2.751 1.00 11.63 O ATOM 227 CB THR A 14 3.012 -12.270 -0.292 1.00 10.38 C ATOM 228 OG1 THR A 14 2.873 -12.958 0.959 1.00 16.30 O ATOM 229 CG2 THR A 14 4.521 -12.098 -0.516 1.00 11.66 C ATOM 0 H THR A 14 0.343 -11.751 -0.637 1.00 9.39 H new ATOM 0 HA THR A 14 2.658 -10.333 0.513 1.00 9.63 H new ATOM 0 HB THR A 14 2.560 -12.845 -1.100 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.344 -12.461 1.660 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.007 -13.073 -0.487 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.694 -11.635 -1.488 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.935 -11.463 0.267 1.00 11.66 H new ATOM 237 N LEU A 15 3.142 -9.084 -1.866 1.00 8.29 N ATOM 238 CA LEU A 15 3.118 -8.309 -3.153 1.00 9.03 C ATOM 239 C LEU A 15 4.583 -8.497 -3.693 1.00 8.59 C ATOM 240 O LEU A 15 5.538 -8.780 -2.938 1.00 7.79 O ATOM 241 CB LEU A 15 2.837 -6.829 -2.942 1.00 11.08 C ATOM 242 CG LEU A 15 1.338 -6.504 -2.618 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.159 -5.028 -2.253 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.403 -6.965 -3.776 1.00 15.27 C ATOM 0 H LEU A 15 3.731 -8.676 -1.141 1.00 8.29 H new ATOM 0 HA LEU A 15 2.333 -8.657 -3.824 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.462 -6.464 -2.127 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.131 -6.283 -3.838 1.00 11.08 H new ATOM 0 HG LEU A 15 1.042 -7.074 -1.738 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.109 -4.832 -2.033 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.763 -4.794 -1.376 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.477 -4.405 -3.089 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.631 -6.728 -3.525 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.681 -6.450 -4.695 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.504 -8.041 -3.919 1.00 15.27 H new ATOM 256 N GLU A 16 4.767 -8.320 -4.996 1.00 11.04 N ATOM 257 CA GLU A 16 6.015 -8.068 -5.732 1.00 11.50 C ATOM 258 C GLU A 16 6.061 -6.594 -6.200 1.00 10.13 C ATOM 259 O GLU A 16 5.227 -6.160 -6.985 1.00 9.83 O ATOM 260 CB GLU A 16 6.157 -9.003 -6.912 1.00 17.22 C ATOM 261 CG GLU A 16 7.297 -8.766 -7.941 1.00 23.33 C ATOM 262 CD GLU A 16 8.670 -8.887 -7.360 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.048 -10.059 -6.983 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.463 -7.940 -7.305 1.00 28.90 O ATOM 0 H GLU A 16 3.971 -8.351 -5.633 1.00 11.04 H new ATOM 0 HA GLU A 16 6.852 -8.256 -5.060 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.277 -10.012 -6.517 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.214 -8.985 -7.459 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.193 -9.483 -8.756 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.182 -7.772 -8.374 1.00 23.33 H new ATOM 271 N VAL A 17 6.972 -5.804 -5.534 1.00 8.99 N ATOM 272 CA VAL A 17 7.008 -4.368 -5.771 1.00 8.85 C ATOM 273 C VAL A 17 8.476 -4.178 -6.077 1.00 8.04 C ATOM 274 O VAL A 17 9.285 -4.966 -5.625 1.00 8.99 O ATOM 275 CB VAL A 17 6.615 -3.590 -4.529 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.170 -3.755 -4.158 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.506 -3.990 -3.329 1.00 10.54 C ATOM 0 H VAL A 17 7.655 -6.148 -4.859 1.00 8.99 H new ATOM 0 HA VAL A 17 6.324 -4.022 -6.546 1.00 8.85 H new ATOM 0 HB VAL A 17 6.768 -2.539 -4.773 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.956 -3.173 -3.262 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.542 -3.405 -4.977 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.962 -4.807 -3.965 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.208 -3.421 -2.449 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.390 -5.055 -3.129 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.549 -3.776 -3.563 1.00 10.54 H new ATOM 287 N GLU A 18 8.864 -3.107 -6.834 1.00 7.29 N ATOM 288 CA GLU A 18 10.261 -2.658 -6.828 1.00 7.08 C ATOM 289 C GLU A 18 10.423 -1.541 -5.734 1.00 6.45 C ATOM 290 O GLU A 18 9.490 -0.796 -5.535 1.00 5.28 O ATOM 291 CB GLU A 18 10.726 -2.081 -8.196 1.00 10.28 C ATOM 292 CG GLU A 18 10.739 -3.071 -9.338 1.00 12.65 C ATOM 293 CD GLU A 18 11.795 -4.136 -9.110 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.931 -3.772 -8.734 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.458 -5.353 -9.189 1.00 14.33 O ATOM 0 H GLU A 18 8.240 -2.565 -7.432 1.00 7.29 H new ATOM 0 HA GLU A 18 10.880 -3.530 -6.617 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.073 -1.250 -8.463 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.730 -1.672 -8.078 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.759 -3.538 -9.433 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.936 -2.551 -10.275 1.00 12.65 H new ATOM 302 N PRO A 19 11.546 -1.287 -5.128 1.00 7.24 N ATOM 303 CA PRO A 19 11.775 -0.191 -4.187 1.00 7.07 C ATOM 304 C PRO A 19 11.584 1.160 -4.884 1.00 6.65 C ATOM 305 O PRO A 19 11.270 2.163 -4.258 1.00 6.37 O ATOM 306 CB PRO A 19 13.225 -0.395 -3.780 1.00 7.61 C ATOM 307 CG PRO A 19 13.934 -1.345 -4.765 1.00 8.16 C ATOM 308 CD PRO A 19 12.818 -2.060 -5.448 1.00 7.49 C ATOM 0 HA PRO A 19 11.089 -0.189 -3.340 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.741 0.565 -3.757 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.271 -0.806 -2.772 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.549 -0.795 -5.477 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.593 -2.040 -4.244 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.986 -2.102 -6.524 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.745 -3.089 -5.097 1.00 7.49 H new ATOM 316 N SER A 20 11.696 1.199 -6.194 1.00 6.80 N ATOM 317 CA SER A 20 11.590 2.413 -7.034 1.00 6.28 C ATOM 318 C SER A 20 10.151 2.599 -7.517 1.00 8.45 C ATOM 319 O SER A 20 9.888 3.610 -8.164 1.00 7.26 O ATOM 320 CB SER A 20 12.535 2.421 -8.283 1.00 8.57 C ATOM 321 OG SER A 20 12.415 1.119 -8.970 1.00 11.13 O ATOM 0 H SER A 20 11.871 0.358 -6.744 1.00 6.80 H new ATOM 0 HA SER A 20 11.905 3.233 -6.389 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.263 3.232 -8.958 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.567 2.594 -7.976 1.00 8.57 H new ATOM 0 HG SER A 20 13.000 1.109 -9.756 1.00 11.13 H new ATOM 327 N ASP A 21 9.126 1.743 -7.239 1.00 7.50 N ATOM 328 CA ASP A 21 7.748 1.992 -7.570 1.00 7.70 C ATOM 329 C ASP A 21 7.121 3.022 -6.756 1.00 7.08 C ATOM 330 O ASP A 21 7.122 3.044 -5.510 1.00 8.11 O ATOM 331 CB ASP A 21 6.974 0.670 -7.414 1.00 11.00 C ATOM 332 CG ASP A 21 7.292 -0.395 -8.453 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.797 -0.144 -9.559 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.000 -1.612 -8.129 1.00 18.03 O ATOM 0 H ASP A 21 9.270 0.850 -6.768 1.00 7.50 H new ATOM 0 HA ASP A 21 7.720 2.364 -8.594 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.180 0.262 -6.424 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.906 0.886 -7.454 1.00 11.00 H new ATOM 339 N THR A 22 6.395 3.984 -7.406 1.00 5.37 N ATOM 340 CA THR A 22 5.470 4.794 -6.634 1.00 6.01 C ATOM 341 C THR A 22 4.349 3.989 -5.953 1.00 8.01 C ATOM 342 O THR A 22 3.905 2.900 -6.392 1.00 8.11 O ATOM 343 CB THR A 22 4.697 5.834 -7.438 1.00 8.92 C ATOM 344 OG1 THR A 22 4.022 5.293 -8.533 1.00 10.22 O ATOM 345 CG2 THR A 22 5.633 6.891 -8.002 1.00 9.65 C ATOM 0 H THR A 22 6.443 4.191 -8.404 1.00 5.37 H new ATOM 0 HA THR A 22 6.158 5.253 -5.925 1.00 6.01 H new ATOM 0 HB THR A 22 3.980 6.254 -6.733 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.545 6.005 -9.008 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.057 7.621 -8.571 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.149 7.394 -7.184 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.365 6.417 -8.656 1.00 9.65 H new ATOM 353 N ILE A 23 3.900 4.541 -4.800 1.00 8.32 N ATOM 354 CA ILE A 23 2.766 4.051 -3.991 1.00 9.92 C ATOM 355 C ILE A 23 1.565 3.705 -4.843 1.00 10.01 C ATOM 356 O ILE A 23 0.861 2.696 -4.785 1.00 8.71 O ATOM 357 CB ILE A 23 2.375 4.949 -2.809 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.531 5.092 -1.761 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.089 4.558 -2.032 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.870 3.761 -0.975 1.00 12.30 C ATOM 0 H ILE A 23 4.336 5.370 -4.396 1.00 8.32 H new ATOM 0 HA ILE A 23 3.140 3.134 -3.536 1.00 9.92 H new ATOM 0 HB ILE A 23 2.167 5.892 -3.314 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.429 5.435 -2.274 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.259 5.865 -1.042 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.922 5.269 -1.223 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.236 4.573 -2.710 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.205 3.557 -1.617 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.681 3.950 -0.271 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.988 3.425 -0.430 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.176 2.989 -1.681 1.00 12.30 H new ATOM 372 N GLU A 24 1.325 4.513 -5.875 1.00 9.54 N ATOM 373 CA GLU A 24 0.178 4.415 -6.828 1.00 11.81 C ATOM 374 C GLU A 24 0.246 3.122 -7.621 1.00 11.14 C ATOM 375 O GLU A 24 -0.775 2.514 -7.924 1.00 10.62 O ATOM 376 CB GLU A 24 0.171 5.587 -7.805 1.00 19.24 C ATOM 377 CG GLU A 24 -1.101 5.613 -8.663 1.00 27.76 C ATOM 378 CD GLU A 24 -1.175 6.917 -9.409 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.137 7.413 -9.964 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.243 7.578 -9.595 1.00 34.80 O ATOM 0 H GLU A 24 1.942 5.295 -6.095 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.736 4.435 -6.234 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.253 6.522 -7.250 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.045 5.523 -8.454 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.096 4.780 -9.365 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.981 5.492 -8.032 1.00 27.76 H new ATOM 387 N ASN A 25 1.435 2.739 -7.996 1.00 9.43 N ATOM 388 CA ASN A 25 1.744 1.481 -8.635 1.00 10.96 C ATOM 389 C ASN A 25 1.609 0.258 -7.729 1.00 9.68 C ATOM 390 O ASN A 25 1.179 -0.757 -8.172 1.00 9.33 O ATOM 391 CB ASN A 25 3.164 1.613 -9.282 1.00 16.78 C ATOM 392 CG ASN A 25 3.058 2.333 -10.603 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.594 1.713 -11.536 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.458 3.606 -10.709 1.00 24.70 N ATOM 0 H ASN A 25 2.260 3.323 -7.859 1.00 9.43 H new ATOM 0 HA ASN A 25 0.996 1.289 -9.405 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.830 2.158 -8.613 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.600 0.625 -9.430 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.378 4.093 -11.602 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.843 4.089 -9.897 1.00 24.70 H new ATOM 401 N VAL A 26 2.059 0.337 -6.436 1.00 6.52 N ATOM 402 CA VAL A 26 1.832 -0.750 -5.392 1.00 5.53 C ATOM 403 C VAL A 26 0.357 -0.941 -5.168 1.00 4.42 C ATOM 404 O VAL A 26 -0.179 -2.030 -5.118 1.00 3.40 O ATOM 405 CB VAL A 26 2.371 -0.223 -4.058 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.192 -1.341 -2.989 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.925 0.047 -4.376 1.00 8.12 C ATOM 0 H VAL A 26 2.582 1.137 -6.080 1.00 6.52 H new ATOM 0 HA VAL A 26 2.308 -1.673 -5.724 1.00 5.53 H new ATOM 0 HB VAL A 26 1.873 0.669 -3.677 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.569 -0.990 -2.028 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.135 -1.589 -2.895 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.747 -2.228 -3.294 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.418 0.431 -3.483 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.401 -0.885 -4.681 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.010 0.778 -5.180 1.00 8.12 H new ATOM 417 N LYS A 27 -0.405 0.179 -5.091 1.00 2.64 N ATOM 418 CA LYS A 27 -1.889 0.211 -5.007 1.00 4.14 C ATOM 419 C LYS A 27 -2.501 -0.471 -6.202 1.00 5.58 C ATOM 420 O LYS A 27 -3.479 -1.211 -5.996 1.00 4.11 O ATOM 421 CB LYS A 27 -2.431 1.614 -4.745 1.00 3.97 C ATOM 422 CG LYS A 27 -2.029 2.204 -3.414 1.00 7.45 C ATOM 423 CD LYS A 27 -2.570 3.636 -3.404 1.00 9.02 C ATOM 424 CE LYS A 27 -2.608 4.452 -2.096 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.683 5.451 -2.055 1.00 15.47 N ATOM 0 H LYS A 27 0.007 1.112 -5.085 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.194 -0.362 -4.132 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.088 2.276 -5.540 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.519 1.585 -4.801 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.444 1.625 -2.589 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -0.946 2.196 -3.295 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -1.981 4.207 -4.122 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.589 3.597 -3.788 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.727 3.769 -1.255 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.650 4.956 -1.964 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.638 5.973 -1.156 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.570 6.115 -2.847 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.604 4.974 -2.132 1.00 15.47 H new ATOM 439 N ALA A 28 -1.965 -0.344 -7.423 1.00 6.61 N ATOM 440 CA ALA A 28 -2.503 -1.093 -8.569 1.00 7.74 C ATOM 441 C ALA A 28 -2.476 -2.619 -8.464 1.00 9.17 C ATOM 442 O ALA A 28 -3.420 -3.371 -8.835 1.00 11.45 O ATOM 443 CB ALA A 28 -1.794 -0.681 -9.910 1.00 7.68 C ATOM 0 H ALA A 28 -1.172 0.259 -7.642 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.555 -0.808 -8.562 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.216 -1.254 -10.736 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.947 0.383 -10.091 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.726 -0.886 -9.835 1.00 7.68 H new ATOM 449 N LYS A 29 -1.391 -3.181 -7.832 1.00 8.96 N ATOM 450 CA LYS A 29 -1.245 -4.561 -7.591 1.00 7.90 C ATOM 451 C LYS A 29 -2.102 -5.057 -6.434 1.00 6.92 C ATOM 452 O LYS A 29 -2.386 -6.243 -6.367 1.00 6.87 O ATOM 453 CB LYS A 29 0.292 -4.773 -7.366 1.00 10.28 C ATOM 454 CG LYS A 29 1.185 -4.587 -8.614 1.00 14.94 C ATOM 455 CD LYS A 29 2.551 -5.117 -8.471 1.00 19.69 C ATOM 456 CE LYS A 29 3.379 -4.980 -9.771 1.00 22.63 C ATOM 457 NZ LYS A 29 4.757 -5.506 -9.569 1.00 24.98 N ATOM 0 H LYS A 29 -0.606 -2.627 -7.489 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.605 -5.156 -8.430 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.627 -4.078 -6.596 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.448 -5.779 -6.977 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.707 -5.075 -9.463 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.244 -3.524 -8.848 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.059 -4.590 -7.663 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.502 -6.168 -8.185 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.891 -5.524 -10.579 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.423 -3.933 -10.072 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.441 -4.877 -10.037 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.966 -5.549 -8.551 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.828 -6.460 -9.978 1.00 24.98 H new ATOM 471 N ILE A 30 -2.666 -4.205 -5.575 1.00 4.57 N ATOM 472 CA ILE A 30 -3.568 -4.470 -4.469 1.00 5.58 C ATOM 473 C ILE A 30 -4.977 -4.444 -4.986 1.00 7.26 C ATOM 474 O ILE A 30 -5.807 -5.176 -4.475 1.00 9.46 O ATOM 475 CB ILE A 30 -3.333 -3.461 -3.382 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.976 -3.736 -2.744 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.407 -3.553 -2.316 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.606 -2.661 -1.772 1.00 2.00 C ATOM 0 H ILE A 30 -2.476 -3.206 -5.652 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.387 -5.454 -4.037 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.361 -2.462 -3.817 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.000 -4.699 -2.233 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.214 -3.806 -3.520 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.214 -2.812 -1.540 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.382 -3.363 -2.765 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.398 -4.550 -1.876 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.634 -2.886 -1.334 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.558 -1.703 -2.290 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.356 -2.610 -0.983 1.00 2.00 H new ATOM 490 N GLN A 31 -5.279 -3.650 -6.040 1.00 7.06 N ATOM 491 CA GLN A 31 -6.600 -3.655 -6.684 1.00 8.67 C ATOM 492 C GLN A 31 -6.789 -4.988 -7.351 1.00 10.90 C ATOM 493 O GLN A 31 -7.867 -5.574 -7.342 1.00 9.63 O ATOM 494 CB GLN A 31 -6.655 -2.529 -7.744 1.00 9.12 C ATOM 495 CG GLN A 31 -7.969 -2.654 -8.553 1.00 10.76 C ATOM 496 CD GLN A 31 -8.143 -1.398 -9.384 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.199 -0.680 -9.673 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.469 -1.160 -9.660 1.00 14.76 N ATOM 0 H GLN A 31 -4.617 -2.997 -6.459 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.386 -3.489 -5.948 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.604 -1.554 -7.259 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.796 -2.599 -8.411 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.935 -3.533 -9.197 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.817 -2.784 -7.881 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.179 -1.833 -9.370 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.743 -0.311 -10.155 1.00 14.76 H new ATOM 507 N ASP A 32 -5.746 -5.518 -7.989 1.00 10.93 N ATOM 508 CA ASP A 32 -5.738 -6.785 -8.657 1.00 14.01 C ATOM 509 C ASP A 32 -5.784 -7.952 -7.629 1.00 14.04 C ATOM 510 O ASP A 32 -6.436 -8.977 -7.839 1.00 13.39 O ATOM 511 CB ASP A 32 -4.421 -6.871 -9.515 1.00 18.01 C ATOM 512 CG ASP A 32 -4.333 -8.144 -10.284 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.244 -8.435 -11.083 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.294 -8.893 -10.188 1.00 26.29 O ATOM 0 H ASP A 32 -4.848 -5.039 -8.047 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.617 -6.873 -9.295 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.383 -6.028 -10.205 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.555 -6.784 -8.858 1.00 18.01 H new ATOM 519 N LYS A 33 -5.139 -7.767 -6.432 1.00 14.22 N ATOM 520 CA LYS A 33 -5.245 -8.743 -5.312 1.00 14.00 C ATOM 521 C LYS A 33 -6.723 -8.818 -4.710 1.00 12.37 C ATOM 522 O LYS A 33 -7.280 -9.925 -4.477 1.00 12.17 O ATOM 523 CB LYS A 33 -4.184 -8.537 -4.226 1.00 18.62 C ATOM 524 CG LYS A 33 -2.754 -8.882 -4.686 1.00 24.00 C ATOM 525 CD LYS A 33 -2.515 -10.359 -4.395 1.00 27.61 C ATOM 526 CE LYS A 33 -1.214 -11.039 -4.900 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.046 -10.842 -6.368 1.00 30.06 N ATOM 0 H LYS A 33 -4.550 -6.960 -6.227 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.033 -9.718 -5.750 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.210 -7.498 -3.897 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.437 -9.151 -3.362 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.635 -8.678 -5.750 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.024 -8.266 -4.160 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.552 -10.488 -3.313 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.356 -10.914 -4.811 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.354 -10.625 -4.373 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.244 -12.105 -4.673 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.170 -11.305 -6.682 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.857 -11.258 -6.869 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.994 -9.825 -6.578 1.00 30.06 H new ATOM 541 N GLU A 34 -7.289 -7.649 -4.443 1.00 10.11 N ATOM 542 CA GLU A 34 -8.329 -7.522 -3.418 1.00 10.07 C ATOM 543 C GLU A 34 -9.518 -6.599 -3.826 1.00 9.32 C ATOM 544 O GLU A 34 -10.550 -6.447 -3.148 1.00 11.61 O ATOM 545 CB GLU A 34 -7.806 -7.074 -2.022 1.00 14.77 C ATOM 546 CG GLU A 34 -7.061 -8.139 -1.140 1.00 18.75 C ATOM 547 CD GLU A 34 -7.991 -9.378 -0.895 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.004 -9.133 -0.136 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.767 -10.528 -1.343 1.00 21.95 O ATOM 0 H GLU A 34 -7.051 -6.777 -4.916 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.694 -8.546 -3.335 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.130 -6.232 -2.172 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.656 -6.702 -1.450 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.143 -8.455 -1.635 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.773 -7.696 -0.187 1.00 18.75 H new ATOM 556 N GLY A 35 -9.499 -5.973 -5.022 1.00 7.22 N ATOM 557 CA GLY A 35 -10.609 -5.305 -5.589 1.00 6.29 C ATOM 558 C GLY A 35 -11.016 -4.005 -5.045 1.00 6.93 C ATOM 559 O GLY A 35 -12.089 -3.473 -5.346 1.00 7.41 O ATOM 0 H GLY A 35 -8.667 -5.938 -5.610 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.402 -5.166 -6.650 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.467 -5.974 -5.517 1.00 6.29 H new ATOM 563 N ILE A 36 -10.155 -3.297 -4.261 1.00 5.86 N ATOM 564 CA ILE A 36 -10.307 -1.975 -3.711 1.00 6.07 C ATOM 565 C ILE A 36 -9.706 -0.922 -4.701 1.00 6.36 C ATOM 566 O ILE A 36 -8.537 -1.154 -5.018 1.00 6.18 O ATOM 567 CB ILE A 36 -9.744 -1.926 -2.371 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.332 -3.059 -1.417 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.029 -0.532 -1.778 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.575 -3.148 -0.111 1.00 9.49 C ATOM 0 H ILE A 36 -9.260 -3.703 -3.989 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.361 -1.720 -3.599 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.672 -2.108 -2.442 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.383 -2.853 -1.214 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.289 -4.021 -1.927 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.615 -0.473 -0.772 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.568 0.231 -2.405 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.106 -0.367 -1.737 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.009 -3.933 0.508 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.529 -3.381 -0.312 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.640 -2.194 0.413 1.00 9.49 H new ATOM 582 N PRO A 37 -10.324 0.145 -5.279 1.00 8.65 N ATOM 583 CA PRO A 37 -9.574 1.116 -6.167 1.00 9.18 C ATOM 584 C PRO A 37 -8.418 1.868 -5.421 1.00 9.85 C ATOM 585 O PRO A 37 -8.631 2.069 -4.191 1.00 8.51 O ATOM 586 CB PRO A 37 -10.668 2.079 -6.688 1.00 11.42 C ATOM 587 CG PRO A 37 -11.979 1.309 -6.557 1.00 9.27 C ATOM 588 CD PRO A 37 -11.807 0.338 -5.390 1.00 8.33 C ATOM 0 HA PRO A 37 -9.056 0.602 -6.976 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.692 2.999 -6.104 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.481 2.363 -7.723 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.810 1.990 -6.374 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.205 0.771 -7.478 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.224 0.746 -4.469 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.317 -0.606 -5.581 1.00 8.33 H new ATOM 596 N PRO A 38 -7.305 2.233 -6.099 1.00 8.71 N ATOM 597 CA PRO A 38 -6.247 2.988 -5.443 1.00 9.08 C ATOM 598 C PRO A 38 -6.718 4.158 -4.608 1.00 9.28 C ATOM 599 O PRO A 38 -6.213 4.439 -3.511 1.00 6.50 O ATOM 600 CB PRO A 38 -5.263 3.274 -6.609 1.00 10.31 C ATOM 601 CG PRO A 38 -5.508 2.119 -7.648 1.00 10.81 C ATOM 602 CD PRO A 38 -6.989 1.834 -7.485 1.00 12.00 C ATOM 0 HA PRO A 38 -5.748 2.445 -4.640 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.453 4.251 -7.054 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.230 3.278 -6.261 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.265 2.430 -8.664 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.900 1.241 -7.429 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.581 2.401 -8.204 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.209 0.779 -7.652 1.00 12.00 H new ATOM 610 N ASP A 39 -7.717 4.945 -5.099 1.00 11.20 N ATOM 611 CA ASP A 39 -8.208 6.022 -4.326 1.00 14.96 C ATOM 612 C ASP A 39 -8.986 5.655 -2.989 1.00 13.99 C ATOM 613 O ASP A 39 -9.156 6.497 -2.113 1.00 13.75 O ATOM 614 CB ASP A 39 -9.179 6.890 -5.244 1.00 24.16 C ATOM 615 CG ASP A 39 -9.379 8.300 -4.686 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.376 9.079 -4.624 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.558 8.678 -4.425 1.00 35.55 O ATOM 0 H ASP A 39 -8.161 4.824 -6.009 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.317 6.553 -3.992 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -8.767 6.953 -6.251 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.145 6.391 -5.325 1.00 24.16 H new ATOM 622 N GLN A 40 -9.446 4.408 -2.865 1.00 11.60 N ATOM 623 CA GLN A 40 -10.059 3.884 -1.699 1.00 10.76 C ATOM 624 C GLN A 40 -9.093 3.009 -0.862 1.00 8.01 C ATOM 625 O GLN A 40 -9.386 2.571 0.218 1.00 8.96 O ATOM 626 CB GLN A 40 -11.336 3.106 -2.030 1.00 11.14 C ATOM 627 CG GLN A 40 -12.476 3.943 -2.769 1.00 14.85 C ATOM 628 CD GLN A 40 -13.815 3.211 -2.836 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.193 2.760 -3.926 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.568 3.122 -1.718 1.00 18.16 N ATOM 0 H GLN A 40 -9.386 3.727 -3.622 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.331 4.745 -1.089 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.070 2.255 -2.657 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.747 2.704 -1.104 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.614 4.892 -2.251 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.147 4.177 -3.781 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.222 3.506 -0.838 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.482 2.671 -1.753 1.00 18.16 H new ATOM 639 N GLN A 41 -7.854 2.878 -1.329 1.00 6.52 N ATOM 640 CA GLN A 41 -6.769 2.156 -0.577 1.00 3.87 C ATOM 641 C GLN A 41 -6.090 3.185 0.211 1.00 4.79 C ATOM 642 O GLN A 41 -5.437 4.066 -0.352 1.00 6.34 O ATOM 643 CB GLN A 41 -5.711 1.398 -1.456 1.00 4.20 C ATOM 644 CG GLN A 41 -6.330 0.155 -2.221 1.00 3.20 C ATOM 645 CD GLN A 41 -5.310 -0.278 -3.234 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.126 -0.344 -2.937 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.740 -0.595 -4.465 1.00 7.13 N ATOM 0 H GLN A 41 -7.551 3.256 -2.227 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.239 1.367 0.010 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.284 2.090 -2.182 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -4.893 1.058 -0.821 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.554 -0.655 -1.527 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.267 0.427 -2.707 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.733 -0.532 -4.690 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.074 -0.899 -5.175 1.00 7.13 H new ATOM 656 N ARG A 42 -6.296 3.210 1.534 1.00 5.73 N ATOM 657 CA ARG A 42 -5.484 4.065 2.368 1.00 6.97 C ATOM 658 C ARG A 42 -4.445 3.164 3.009 1.00 7.15 C ATOM 659 O ARG A 42 -4.809 2.249 3.746 1.00 7.33 O ATOM 660 CB ARG A 42 -6.315 4.849 3.392 1.00 13.23 C ATOM 661 CG ARG A 42 -5.364 5.826 4.096 1.00 21.27 C ATOM 662 CD ARG A 42 -6.151 6.613 5.132 1.00 26.14 C ATOM 663 NE ARG A 42 -6.669 7.848 4.426 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.670 8.680 4.832 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.254 8.537 6.009 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.002 9.692 4.046 1.00 36.39 N ATOM 0 H ARG A 42 -7.000 2.660 2.027 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.001 4.843 1.777 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.124 5.388 2.899 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.775 4.173 4.113 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.549 5.282 4.574 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.913 6.503 3.370 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.974 6.018 5.529 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.518 6.885 5.977 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.216 8.085 3.543 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.958 7.790 6.638 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.001 9.173 6.289 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.513 9.833 3.162 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.747 10.331 4.324 1.00 36.39 H new ATOM 680 N LEU A 43 -3.166 3.418 2.735 1.00 4.65 N ATOM 681 CA LEU A 43 -2.012 2.648 3.208 1.00 3.51 C ATOM 682 C LEU A 43 -1.353 3.314 4.349 1.00 5.56 C ATOM 683 O LEU A 43 -1.016 4.494 4.293 1.00 4.19 O ATOM 684 CB LEU A 43 -0.935 2.446 2.082 1.00 3.74 C ATOM 685 CG LEU A 43 -1.461 1.527 0.954 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.361 1.479 -0.148 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.811 0.073 1.495 1.00 6.41 C ATOM 0 H LEU A 43 -2.891 4.205 2.148 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.406 1.678 3.513 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.657 3.414 1.665 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.032 2.014 2.514 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.391 1.922 0.546 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.693 0.839 -0.966 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.180 2.485 -0.526 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.561 1.079 0.275 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.177 -0.543 0.673 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.916 -0.383 1.919 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.580 0.146 2.264 1.00 6.41 H new ATOM 699 N ILE A 44 -1.283 2.653 5.519 1.00 4.58 N ATOM 700 CA ILE A 44 -0.683 3.145 6.778 1.00 5.55 C ATOM 701 C ILE A 44 0.604 2.369 7.102 1.00 5.46 C ATOM 702 O ILE A 44 0.671 1.143 7.213 1.00 6.04 O ATOM 703 CB ILE A 44 -1.723 3.012 7.920 1.00 6.80 C ATOM 704 CG1 ILE A 44 -3.135 3.615 7.542 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.127 3.502 9.246 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.025 5.151 7.450 1.00 13.90 C ATOM 0 H ILE A 44 -1.663 1.712 5.619 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.411 4.195 6.669 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.946 1.956 8.070 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.475 3.206 6.591 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.875 3.336 8.292 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.870 3.402 10.038 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.250 2.904 9.494 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.837 4.548 9.150 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.997 5.570 7.189 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.703 5.551 8.412 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.297 5.418 6.684 1.00 13.90 H new ATOM 718 N PHE A 45 1.810 3.052 7.257 1.00 6.75 N ATOM 719 CA PHE A 45 3.066 2.503 7.599 1.00 4.70 C ATOM 720 C PHE A 45 3.887 3.502 8.405 1.00 6.34 C ATOM 721 O PHE A 45 4.047 4.642 7.932 1.00 5.45 O ATOM 722 CB PHE A 45 3.908 2.016 6.329 1.00 5.51 C ATOM 723 CG PHE A 45 5.263 1.572 6.639 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.558 0.337 7.207 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.273 2.438 6.344 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.880 -0.022 7.460 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.618 2.085 6.534 1.00 6.64 C ATOM 728 CZ PHE A 45 7.905 0.928 7.177 1.00 6.84 C ATOM 0 H PHE A 45 1.863 4.062 7.123 1.00 6.75 H new ATOM 0 HA PHE A 45 2.856 1.621 8.204 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.373 1.199 5.845 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.962 2.833 5.609 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.759 -0.346 7.453 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.033 3.417 5.956 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.122 -0.995 7.860 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.410 2.725 6.174 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.921 0.723 7.479 1.00 6.84 H new ATOM 738 N ALA A 46 4.352 3.115 9.640 1.00 6.53 N ATOM 739 CA ALA A 46 5.236 3.810 10.521 1.00 7.15 C ATOM 740 C ALA A 46 4.641 5.098 10.977 1.00 9.00 C ATOM 741 O ALA A 46 5.379 6.107 11.056 1.00 11.15 O ATOM 742 CB ALA A 46 6.553 4.093 9.709 1.00 8.99 C ATOM 0 H ALA A 46 4.066 2.221 10.040 1.00 6.53 H new ATOM 0 HA ALA A 46 5.430 3.210 11.410 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.263 4.625 10.342 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.991 3.149 9.386 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.318 4.702 8.836 1.00 8.99 H new ATOM 748 N GLY A 47 3.339 5.026 11.311 1.00 9.35 N ATOM 749 CA GLY A 47 2.550 6.171 11.789 1.00 11.68 C ATOM 750 C GLY A 47 2.157 7.090 10.706 1.00 11.14 C ATOM 751 O GLY A 47 1.795 8.278 11.002 1.00 13.93 O ATOM 0 H GLY A 47 2.802 4.161 11.255 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.654 5.804 12.290 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.129 6.720 12.532 1.00 11.68 H new ATOM 755 N LYS A 48 2.313 6.772 9.381 1.00 10.47 N ATOM 756 CA LYS A 48 2.039 7.718 8.315 1.00 8.82 C ATOM 757 C LYS A 48 1.189 7.042 7.220 1.00 7.68 C ATOM 758 O LYS A 48 1.408 5.882 6.782 1.00 6.47 O ATOM 759 CB LYS A 48 3.432 7.964 7.650 1.00 9.74 C ATOM 760 CG LYS A 48 4.617 8.514 8.395 1.00 14.14 C ATOM 761 CD LYS A 48 5.938 8.198 7.723 1.00 16.32 C ATOM 762 CE LYS A 48 7.056 8.599 8.663 1.00 20.04 C ATOM 763 NZ LYS A 48 8.371 8.762 7.965 1.00 23.92 N ATOM 0 H LYS A 48 2.629 5.859 9.054 1.00 10.47 H new ATOM 0 HA LYS A 48 1.535 8.606 8.697 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.747 7.008 7.233 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.258 8.636 6.810 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.512 9.595 8.487 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.624 8.108 9.406 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.001 7.135 7.489 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.023 8.737 6.780 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.793 9.535 9.155 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.155 7.845 9.444 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.099 9.036 8.655 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.640 7.863 7.517 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.288 9.500 7.237 1.00 23.92 H new ATOM 777 N GLN A 49 0.223 7.845 6.652 1.00 8.89 N ATOM 778 CA GLN A 49 -0.470 7.517 5.459 1.00 7.18 C ATOM 779 C GLN A 49 0.386 7.841 4.218 1.00 8.23 C ATOM 780 O GLN A 49 1.221 8.750 4.236 1.00 9.70 O ATOM 781 CB GLN A 49 -1.909 8.124 5.368 1.00 11.67 C ATOM 782 CG GLN A 49 -2.094 9.663 5.197 1.00 15.82 C ATOM 783 CD GLN A 49 -1.895 10.546 6.409 1.00 20.21 C ATOM 784 OE1 GLN A 49 -0.835 10.640 7.017 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.965 11.248 6.785 1.00 20.67 N ATOM 0 H GLN A 49 -0.062 8.738 7.054 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.631 6.439 5.487 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.413 7.641 4.530 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.443 7.831 6.272 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.402 9.998 4.424 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.102 9.837 4.820 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.840 11.159 6.269 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.908 11.874 7.589 1.00 20.67 H new ATOM 794 N LEU A 50 0.258 7.047 3.124 1.00 6.51 N ATOM 795 CA LEU A 50 1.241 7.079 2.062 1.00 7.41 C ATOM 796 C LEU A 50 0.687 7.717 0.778 1.00 8.27 C ATOM 797 O LEU A 50 -0.370 7.296 0.299 1.00 8.34 O ATOM 798 CB LEU A 50 1.847 5.676 1.827 1.00 7.13 C ATOM 799 CG LEU A 50 2.182 4.856 3.114 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.795 3.466 2.832 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.161 5.597 3.993 1.00 9.11 C ATOM 0 H LEU A 50 -0.511 6.394 2.975 1.00 6.51 H new ATOM 0 HA LEU A 50 2.057 7.727 2.382 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.150 5.097 1.221 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.760 5.789 1.243 1.00 7.13 H new ATOM 0 HG LEU A 50 1.219 4.722 3.606 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.999 2.960 3.776 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.094 2.872 2.246 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.725 3.584 2.275 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.375 5.002 4.881 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.085 5.772 3.442 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.730 6.553 4.292 1.00 9.11 H new ATOM 813 N GLU A 51 1.381 8.710 0.282 1.00 9.43 N ATOM 814 CA GLU A 51 0.840 9.602 -0.647 1.00 11.90 C ATOM 815 C GLU A 51 1.263 9.011 -2.051 1.00 11.49 C ATOM 816 O GLU A 51 2.440 8.727 -2.350 1.00 9.88 O ATOM 817 CB GLU A 51 1.372 11.083 -0.470 1.00 16.56 C ATOM 818 CG GLU A 51 1.006 12.078 -1.572 1.00 26.06 C ATOM 819 CD GLU A 51 -0.451 12.109 -1.796 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.107 12.759 -0.958 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.964 11.525 -2.790 1.00 32.13 O ATOM 0 H GLU A 51 2.351 8.904 0.532 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.240 9.686 -0.526 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.995 11.470 0.477 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.458 11.048 -0.390 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.356 13.073 -1.299 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.514 11.804 -2.497 1.00 26.06 H new ATOM 828 N ASP A 52 0.294 8.916 -3.004 1.00 12.71 N ATOM 829 CA ASP A 52 0.357 8.107 -4.204 1.00 16.56 C ATOM 830 C ASP A 52 1.512 8.264 -5.154 1.00 15.83 C ATOM 831 O ASP A 52 2.062 7.332 -5.687 1.00 17.21 O ATOM 832 CB ASP A 52 -0.950 8.435 -5.021 1.00 21.05 C ATOM 833 CG ASP A 52 -2.221 8.004 -4.307 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.414 6.783 -4.050 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.104 8.852 -3.907 1.00 25.82 O ATOM 0 H ASP A 52 -0.582 9.434 -2.931 1.00 12.71 H new ATOM 0 HA ASP A 52 0.479 7.091 -3.829 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.993 9.507 -5.212 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.899 7.940 -5.991 1.00 21.05 H new ATOM 840 N GLY A 53 1.955 9.492 -5.332 1.00 15.00 N ATOM 841 CA GLY A 53 3.051 9.869 -6.239 1.00 11.77 C ATOM 842 C GLY A 53 4.450 9.565 -5.717 1.00 11.10 C ATOM 843 O GLY A 53 5.443 9.619 -6.476 1.00 11.25 O ATOM 0 H GLY A 53 1.557 10.291 -4.838 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.912 9.350 -7.188 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.981 10.937 -6.446 1.00 11.77 H new ATOM 847 N ARG A 54 4.547 9.182 -4.422 1.00 8.53 N ATOM 848 CA ARG A 54 5.841 8.977 -3.727 1.00 9.05 C ATOM 849 C ARG A 54 6.229 7.500 -3.741 1.00 8.96 C ATOM 850 O ARG A 54 5.370 6.632 -4.009 1.00 11.60 O ATOM 851 CB ARG A 54 5.777 9.540 -2.304 1.00 7.97 C ATOM 852 CG ARG A 54 5.202 10.982 -2.191 1.00 9.62 C ATOM 853 CD ARG A 54 5.513 11.577 -0.811 1.00 12.20 C ATOM 854 NE ARG A 54 4.754 12.831 -0.712 1.00 18.23 N ATOM 855 CZ ARG A 54 4.303 13.314 0.446 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.722 12.827 1.628 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.328 14.191 0.461 1.00 23.38 N ATOM 0 H ARG A 54 3.734 9.007 -3.831 1.00 8.53 H new ATOM 0 HA ARG A 54 6.620 9.522 -4.260 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.168 8.874 -1.693 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.781 9.532 -1.881 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.630 11.613 -2.970 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.124 10.964 -2.351 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.225 10.887 -0.018 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.582 11.762 -0.701 1.00 12.20 H new ATOM 0 HE ARG A 54 4.564 13.355 -1.566 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.403 12.068 1.654 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.359 13.217 2.498 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.912 14.506 -0.415 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.986 14.558 1.349 1.00 23.38 H new ATOM 871 N THR A 55 7.537 7.211 -3.539 1.00 9.05 N ATOM 872 CA THR A 55 8.046 5.882 -3.804 1.00 9.03 C ATOM 873 C THR A 55 8.210 5.104 -2.528 1.00 8.15 C ATOM 874 O THR A 55 8.233 5.669 -1.437 1.00 5.91 O ATOM 875 CB THR A 55 9.366 5.796 -4.620 1.00 11.15 C ATOM 876 OG1 THR A 55 10.484 6.361 -3.870 1.00 11.95 O ATOM 877 CG2 THR A 55 9.110 6.586 -5.927 1.00 11.71 C ATOM 0 H THR A 55 8.231 7.878 -3.200 1.00 9.05 H new ATOM 0 HA THR A 55 7.279 5.446 -4.444 1.00 9.03 H new ATOM 0 HB THR A 55 9.636 4.761 -4.831 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.238 7.249 -3.535 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.006 6.563 -6.548 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.281 6.132 -6.470 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.863 7.620 -5.685 1.00 11.71 H new ATOM 885 N LEU A 56 8.327 3.722 -2.631 1.00 6.91 N ATOM 886 CA LEU A 56 8.636 2.799 -1.531 1.00 8.29 C ATOM 887 C LEU A 56 9.999 3.225 -0.826 1.00 8.05 C ATOM 888 O LEU A 56 10.042 3.224 0.360 1.00 10.17 O ATOM 889 CB LEU A 56 8.746 1.362 -2.018 1.00 6.60 C ATOM 890 CG LEU A 56 7.443 0.734 -2.547 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.647 -0.759 -2.677 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.324 0.971 -1.571 1.00 8.64 C ATOM 0 H LEU A 56 8.200 3.238 -3.520 1.00 6.91 H new ATOM 0 HA LEU A 56 7.816 2.855 -0.815 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.494 1.322 -2.810 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.117 0.747 -1.198 1.00 6.60 H new ATOM 0 HG LEU A 56 7.192 1.181 -3.509 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.733 -1.220 -3.051 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.463 -0.956 -3.372 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.892 -1.179 -1.702 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.407 0.523 -1.954 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.576 0.519 -0.612 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.177 2.043 -1.439 1.00 8.64 H new ATOM 904 N SER A 57 10.989 3.646 -1.586 1.00 8.92 N ATOM 905 CA SER A 57 12.261 4.129 -0.985 1.00 9.00 C ATOM 906 C SER A 57 12.090 5.410 -0.164 1.00 9.44 C ATOM 907 O SER A 57 12.712 5.536 0.875 1.00 10.91 O ATOM 908 CB SER A 57 13.287 4.444 -2.097 1.00 10.32 C ATOM 909 OG SER A 57 13.461 3.186 -2.773 1.00 13.59 O ATOM 0 H SER A 57 10.961 3.672 -2.605 1.00 8.92 H new ATOM 0 HA SER A 57 12.600 3.328 -0.328 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.918 5.214 -2.775 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.227 4.808 -1.682 1.00 10.32 H new ATOM 0 HG SER A 57 12.684 3.011 -3.344 1.00 13.59 H new ATOM 915 N ASP A 58 11.269 6.433 -0.666 1.00 9.11 N ATOM 916 CA ASP A 58 11.087 7.698 0.049 1.00 7.91 C ATOM 917 C ASP A 58 10.615 7.520 1.519 1.00 9.12 C ATOM 918 O ASP A 58 11.079 8.215 2.418 1.00 8.61 O ATOM 919 CB ASP A 58 9.994 8.512 -0.619 1.00 8.41 C ATOM 920 CG ASP A 58 10.435 9.060 -1.969 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.494 9.793 -1.967 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.801 8.834 -2.984 1.00 11.70 O ATOM 0 H ASP A 58 10.753 6.369 -1.544 1.00 9.11 H new ATOM 0 HA ASP A 58 12.065 8.179 0.030 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.109 7.890 -0.752 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.708 9.338 0.032 1.00 8.41 H new ATOM 927 N TYR A 59 9.700 6.589 1.681 1.00 7.97 N ATOM 928 CA TYR A 59 9.067 6.312 2.942 1.00 8.45 C ATOM 929 C TYR A 59 9.773 5.193 3.749 1.00 10.98 C ATOM 930 O TYR A 59 9.250 4.749 4.731 1.00 12.95 O ATOM 931 CB TYR A 59 7.617 5.948 2.615 1.00 7.94 C ATOM 932 CG TYR A 59 6.634 7.092 2.354 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.346 8.112 3.281 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.858 7.024 1.178 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.306 8.964 3.063 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.906 8.024 0.895 1.00 6.52 C ATOM 937 CZ TYR A 59 4.591 8.919 1.905 1.00 6.76 C ATOM 938 OH TYR A 59 3.587 9.834 1.749 1.00 7.63 O ATOM 0 H TYR A 59 9.372 5.994 0.921 1.00 7.97 H new ATOM 0 HA TYR A 59 9.126 7.186 3.591 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.624 5.305 1.735 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.227 5.353 3.441 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.952 8.219 4.168 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.994 6.202 0.491 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.044 9.687 3.821 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.438 8.091 -0.076 1.00 6.52 H new ATOM 0 HH TYR A 59 3.688 10.547 2.413 1.00 7.63 H new ATOM 948 N ASN A 60 10.924 4.709 3.270 1.00 12.38 N ATOM 949 CA ASN A 60 11.768 3.695 3.928 1.00 13.94 C ATOM 950 C ASN A 60 10.957 2.439 4.062 1.00 14.16 C ATOM 951 O ASN A 60 10.973 1.745 5.060 1.00 14.26 O ATOM 952 CB ASN A 60 12.609 4.018 5.223 1.00 19.23 C ATOM 953 CG ASN A 60 13.693 5.043 4.867 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.579 6.256 5.121 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.739 4.522 4.141 1.00 24.09 N ATOM 0 H ASN A 60 11.312 5.022 2.380 1.00 12.38 H new ATOM 0 HA ASN A 60 12.617 3.613 3.249 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.960 4.411 6.006 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.064 3.108 5.614 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.468 5.139 3.783 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.785 3.519 3.961 1.00 24.09 H new ATOM 962 N ILE A 61 10.270 2.036 2.969 1.00 11.08 N ATOM 963 CA ILE A 61 9.680 0.722 2.771 1.00 11.78 C ATOM 964 C ILE A 61 10.714 -0.188 2.070 1.00 13.74 C ATOM 965 O ILE A 61 11.074 0.059 0.888 1.00 14.60 O ATOM 966 CB ILE A 61 8.284 0.917 2.114 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.381 1.812 2.955 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.762 -0.470 1.732 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.259 2.375 2.123 1.00 11.42 C ATOM 0 H ILE A 61 10.113 2.656 2.175 1.00 11.08 H new ATOM 0 HA ILE A 61 9.460 0.176 3.688 1.00 11.78 H new ATOM 0 HB ILE A 61 8.330 1.487 1.186 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.971 1.242 3.788 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.966 2.626 3.383 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.781 -0.374 1.267 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.452 -0.938 1.030 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.680 -1.087 2.627 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.628 3.010 2.745 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.673 2.964 1.305 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.663 1.558 1.716 1.00 11.42 H new ATOM 981 N GLN A 62 11.282 -1.141 2.839 1.00 13.97 N ATOM 982 CA GLN A 62 12.399 -2.037 2.539 1.00 15.52 C ATOM 983 C GLN A 62 11.868 -3.457 2.281 1.00 13.94 C ATOM 984 O GLN A 62 10.675 -3.750 2.419 1.00 12.15 O ATOM 985 CB GLN A 62 13.457 -2.042 3.700 1.00 19.53 C ATOM 986 CG GLN A 62 13.090 -2.957 4.890 1.00 26.38 C ATOM 987 CD GLN A 62 14.312 -3.137 5.802 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.375 -2.552 5.638 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.096 -3.884 6.893 1.00 32.71 N ATOM 0 H GLN A 62 10.927 -1.312 3.780 1.00 13.97 H new ATOM 0 HA GLN A 62 12.902 -1.674 1.642 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.420 -2.357 3.297 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.583 -1.023 4.066 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.264 -2.523 5.454 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.751 -3.926 4.525 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.204 -4.365 7.014 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.823 -3.972 7.603 1.00 32.71 H new ATOM 998 N LYS A 63 12.761 -4.412 1.902 1.00 11.73 N ATOM 999 CA LYS A 63 12.253 -5.736 1.599 1.00 11.97 C ATOM 1000 C LYS A 63 11.889 -6.605 2.843 1.00 10.41 C ATOM 1001 O LYS A 63 12.469 -6.519 3.928 1.00 9.59 O ATOM 1002 CB LYS A 63 13.295 -6.551 0.723 1.00 13.73 C ATOM 1003 CG LYS A 63 14.566 -6.904 1.575 1.00 16.98 C ATOM 1004 CD LYS A 63 15.753 -7.309 0.762 1.00 20.19 C ATOM 1005 CE LYS A 63 17.026 -7.705 1.544 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.671 -8.722 2.598 1.00 25.97 N ATOM 0 H LYS A 63 13.769 -4.285 1.809 1.00 11.73 H new ATOM 0 HA LYS A 63 11.327 -5.548 1.056 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.832 -7.465 0.352 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.585 -5.964 -0.149 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.834 -6.040 2.183 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.317 -7.713 2.262 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.464 -8.151 0.133 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.006 -6.485 0.095 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.771 -8.116 0.863 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.470 -6.824 2.008 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.542 -9.114 3.009 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.110 -8.266 3.346 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.116 -9.489 2.168 1.00 25.97 H new ATOM 1020 N GLU A 64 10.742 -7.292 2.671 1.00 10.04 N ATOM 1021 CA GLU A 64 10.081 -8.015 3.777 1.00 10.94 C ATOM 1022 C GLU A 64 9.286 -7.140 4.752 1.00 9.74 C ATOM 1023 O GLU A 64 8.685 -7.714 5.647 1.00 9.42 O ATOM 1024 CB GLU A 64 10.859 -9.199 4.362 1.00 18.31 C ATOM 1025 CG GLU A 64 11.511 -10.109 3.281 1.00 24.16 C ATOM 1026 CD GLU A 64 12.096 -11.328 3.878 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.824 -11.691 5.053 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.746 -12.099 3.090 1.00 32.61 O ATOM 0 H GLU A 64 10.254 -7.362 1.778 1.00 10.04 H new ATOM 0 HA GLU A 64 9.272 -8.549 3.278 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.638 -8.820 5.024 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.185 -9.800 4.973 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.762 -10.389 2.540 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.287 -9.552 2.755 1.00 24.16 H new ATOM 1035 N SER A 65 9.154 -5.842 4.448 1.00 6.85 N ATOM 1036 CA SER A 65 8.305 -4.910 5.167 1.00 6.90 C ATOM 1037 C SER A 65 6.867 -5.238 5.133 1.00 4.72 C ATOM 1038 O SER A 65 6.326 -5.715 4.128 1.00 3.91 O ATOM 1039 CB SER A 65 8.490 -3.424 4.802 1.00 7.28 C ATOM 1040 OG SER A 65 8.266 -2.572 5.948 1.00 10.56 O ATOM 0 H SER A 65 9.653 -5.409 3.671 1.00 6.85 H new ATOM 0 HA SER A 65 8.669 -5.044 6.186 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.497 -3.264 4.418 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.798 -3.154 4.004 1.00 7.28 H new ATOM 0 HG SER A 65 7.623 -1.871 5.714 1.00 10.56 H new ATOM 1046 N THR A 66 6.173 -4.878 6.262 1.00 4.48 N ATOM 1047 CA THR A 66 4.729 -5.054 6.382 1.00 3.80 C ATOM 1048 C THR A 66 4.086 -3.741 6.583 1.00 4.60 C ATOM 1049 O THR A 66 4.308 -3.041 7.583 1.00 5.33 O ATOM 1050 CB THR A 66 4.308 -6.000 7.537 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.814 -7.364 7.476 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.763 -6.022 7.576 1.00 3.40 C ATOM 0 H THR A 66 6.612 -4.467 7.086 1.00 4.48 H new ATOM 0 HA THR A 66 4.401 -5.520 5.453 1.00 3.80 H new ATOM 0 HB THR A 66 4.761 -5.594 8.442 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.489 -7.868 8.251 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.429 -6.679 8.379 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.389 -5.014 7.753 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.380 -6.389 6.624 1.00 3.40 H new ATOM 1060 N LEU A 67 3.199 -3.333 5.605 1.00 4.17 N ATOM 1061 CA LEU A 67 2.377 -2.148 5.448 1.00 3.85 C ATOM 1062 C LEU A 67 1.016 -2.521 6.018 1.00 3.80 C ATOM 1063 O LEU A 67 0.632 -3.661 6.157 1.00 5.54 O ATOM 1064 CB LEU A 67 2.129 -1.721 3.988 1.00 7.18 C ATOM 1065 CG LEU A 67 3.388 -1.630 3.126 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.921 -1.137 1.758 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.449 -0.755 3.794 1.00 11.66 C ATOM 0 H LEU A 67 3.050 -3.948 4.805 1.00 4.17 H new ATOM 0 HA LEU A 67 2.892 -1.321 5.937 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.441 -2.430 3.528 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.634 -0.750 3.987 1.00 7.18 H new ATOM 0 HG LEU A 67 3.889 -2.591 3.005 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.778 -1.050 1.091 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.206 -1.846 1.340 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.445 -0.163 1.866 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.334 -0.708 3.159 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.053 0.250 3.940 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.718 -1.183 4.760 1.00 11.66 H new ATOM 1079 N HIS A 68 0.158 -1.548 6.367 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.182 -1.820 6.759 1.00 4.17 C ATOM 1081 C HIS A 68 -2.036 -1.132 5.733 1.00 5.32 C ATOM 1082 O HIS A 68 -1.621 -0.136 5.137 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.483 -1.240 8.173 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.548 -1.746 9.291 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.767 -1.311 9.473 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.621 -2.839 10.074 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.397 -2.169 10.318 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.562 -3.113 10.731 1.00 16.30 N ATOM 0 H HIS A 68 0.401 -0.558 6.376 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.371 -2.892 6.813 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.416 -0.153 8.126 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.511 -1.485 8.440 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.513 -3.439 10.177 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.433 -2.093 10.612 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.751 -3.871 11.387 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.233 -1.639 5.436 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.167 -1.152 4.420 1.00 3.97 C ATOM 1098 C LEU A 69 -5.454 -1.044 5.144 1.00 5.07 C ATOM 1099 O LEU A 69 -5.851 -2.027 5.744 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.220 -2.085 3.239 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.400 -1.958 2.155 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.597 -0.604 1.559 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.265 -3.092 1.078 1.00 9.96 C ATOM 0 H LEU A 69 -3.599 -2.453 5.930 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.877 -0.195 3.986 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.277 -1.980 2.703 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.252 -3.101 3.632 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.328 -2.101 2.709 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.418 -0.638 0.843 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.833 0.110 2.348 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.684 -0.294 1.050 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.069 -2.998 0.348 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.303 -3.001 0.573 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.329 -4.065 1.564 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.081 0.165 5.049 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.448 0.375 5.531 1.00 6.26 C ATOM 1117 C VAL A 70 -8.328 0.755 4.322 1.00 9.22 C ATOM 1118 O VAL A 70 -7.971 1.474 3.403 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.504 1.329 6.697 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.570 0.821 7.823 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.008 2.728 6.321 1.00 8.54 C ATOM 0 H VAL A 70 -5.650 0.995 4.642 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.855 -0.543 5.954 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.546 1.380 7.012 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.609 1.510 8.667 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.895 -0.168 8.146 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.548 0.763 7.449 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.067 3.381 7.192 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.974 2.668 5.981 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.630 3.132 5.522 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.572 0.244 4.352 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.596 0.597 3.387 1.00 16.06 C ATOM 1133 C LEU A 71 -11.162 1.954 3.667 1.00 18.09 C ATOM 1134 O LEU A 71 -11.659 2.189 4.737 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.803 -0.441 3.439 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.966 -0.285 2.462 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.583 -0.391 0.964 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.068 -1.269 2.811 1.00 19.57 C ATOM 0 H LEU A 71 -9.884 -0.427 5.054 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.120 0.584 2.407 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.385 -1.437 3.294 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.216 -0.413 4.447 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.320 0.739 2.583 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.475 -0.267 0.351 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.862 0.388 0.717 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.142 -1.369 0.770 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.895 -1.153 2.110 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.681 -2.286 2.750 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.421 -1.076 3.824 1.00 19.57 H new