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 22 THR OG1 : rot 180:sc= 0.25 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.267 K(o=0.52,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.405 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0325 (180deg=-0.539) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.11 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.26 (180deg=0.953) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.411 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 27 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0.676) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0557) USER MOD Single : A 31 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.53) 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=-0.0013) USER MOD Single : A 41 GLN : amide:sc= 0.875 K(o=0.88,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 55 THR OG1 : rot -78:sc= 1.42 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.808 USER MOD Single : A 60 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 96:sc= 0.769 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.321 -4.358 -3.438 1.00 0.78 N ATOM 2 CA MET A 1 13.170 -4.962 -2.096 1.00 0.70 C ATOM 3 C MET A 1 11.760 -5.427 -1.973 1.00 0.62 C ATOM 4 O MET A 1 10.889 -4.808 -2.583 1.00 0.68 O ATOM 5 CB MET A 1 13.474 -3.924 -1.002 1.00 0.75 C ATOM 6 CG MET A 1 12.619 -2.656 -0.954 1.00 0.79 C ATOM 7 SD MET A 1 13.052 -1.587 0.451 1.00 1.10 S ATOM 8 CE MET A 1 11.458 -0.715 0.465 1.00 0.84 C ATOM 0 H1 MET A 1 14.265 -3.931 -3.522 1.00 0.78 H new ATOM 0 H2 MET A 1 13.208 -5.094 -4.164 1.00 0.78 H new ATOM 0 H3 MET A 1 12.596 -3.624 -3.572 1.00 0.78 H new ATOM 0 HA MET A 1 13.866 -5.792 -1.974 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.386 -4.422 -0.036 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.515 -3.620 -1.111 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.744 -2.100 -1.883 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.567 -2.932 -0.887 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.593 0.283 0.882 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.078 -0.634 -0.554 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.745 -1.270 1.075 1.00 0.84 H new ATOM 20 N GLN A 2 11.485 -6.328 -1.013 1.00 0.59 N ATOM 21 CA GLN A 2 10.172 -6.836 -0.768 1.00 0.56 C ATOM 22 C GLN A 2 9.423 -6.103 0.291 1.00 0.50 C ATOM 23 O GLN A 2 9.900 -5.959 1.415 1.00 0.60 O ATOM 24 CB GLN A 2 10.285 -8.335 -0.440 1.00 0.71 C ATOM 25 CG GLN A 2 10.781 -9.154 -1.632 1.00 1.15 C ATOM 26 CD GLN A 2 10.642 -10.660 -1.460 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.503 -11.350 -2.469 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.499 -11.191 -0.216 1.00 1.72 N ATOM 0 H GLN A 2 12.195 -6.713 -0.391 1.00 0.59 H new ATOM 0 HA GLN A 2 9.583 -6.684 -1.673 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.966 -8.471 0.400 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.311 -8.710 -0.124 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.229 -8.849 -2.521 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.830 -8.916 -1.810 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.619 -10.601 0.607 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.272 -12.179 -0.106 1.00 1.72 H new ATOM 37 N ILE A 3 8.198 -5.642 -0.021 1.00 0.44 N ATOM 38 CA ILE A 3 7.239 -5.182 0.934 1.00 0.42 C ATOM 39 C ILE A 3 6.066 -6.100 0.874 1.00 0.40 C ATOM 40 O ILE A 3 5.901 -6.893 -0.052 1.00 0.50 O ATOM 41 CB ILE A 3 6.742 -3.788 0.692 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.056 -3.483 -0.650 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.878 -2.792 0.983 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.379 -2.115 -0.596 1.00 0.72 C ATOM 0 H ILE A 3 7.862 -5.588 -0.982 1.00 0.44 H new ATOM 0 HA ILE A 3 7.738 -5.173 1.903 1.00 0.42 H new ATOM 0 HB ILE A 3 5.911 -3.676 1.388 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.791 -3.502 -1.455 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.318 -4.254 -0.873 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.524 -1.776 0.809 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.194 -2.894 2.021 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.722 -3.000 0.325 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.897 -1.910 -1.552 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.631 -2.110 0.197 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.126 -1.347 -0.394 1.00 0.72 H new ATOM 56 N PHE A 4 5.214 -6.063 1.914 1.00 0.37 N ATOM 57 CA PHE A 4 4.067 -6.910 2.015 1.00 0.38 C ATOM 58 C PHE A 4 2.869 -6.046 2.211 1.00 0.39 C ATOM 59 O PHE A 4 2.957 -5.033 2.902 1.00 0.60 O ATOM 60 CB PHE A 4 4.141 -7.810 3.260 1.00 0.45 C ATOM 61 CG PHE A 4 5.439 -8.540 3.278 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.867 -9.344 2.248 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.139 -8.502 4.461 1.00 1.30 C ATOM 64 CE1 PHE A 4 7.094 -9.960 2.328 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.340 -9.165 4.544 1.00 1.40 C ATOM 66 CZ PHE A 4 7.861 -9.834 3.463 1.00 0.85 C ATOM 0 H PHE A 4 5.326 -5.428 2.705 1.00 0.37 H new ATOM 0 HA PHE A 4 4.019 -7.519 1.112 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.040 -7.207 4.162 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.314 -8.520 3.257 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.242 -9.491 1.380 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.751 -7.960 5.311 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.457 -10.545 1.496 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.885 -9.160 5.477 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.855 -10.254 3.504 1.00 0.85 H new ATOM 76 N VAL A 5 1.770 -6.266 1.468 1.00 0.35 N ATOM 77 CA VAL A 5 0.559 -5.539 1.694 1.00 0.35 C ATOM 78 C VAL A 5 -0.389 -6.529 2.280 1.00 0.35 C ATOM 79 O VAL A 5 -0.555 -7.608 1.714 1.00 0.46 O ATOM 80 CB VAL A 5 -0.088 -4.970 0.467 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.393 -4.253 0.850 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.947 -3.982 -0.100 1.00 0.56 C ATOM 0 H VAL A 5 1.720 -6.947 0.711 1.00 0.35 H new ATOM 0 HA VAL A 5 0.798 -4.682 2.324 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.355 -5.733 -0.265 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.859 -3.842 -0.046 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.074 -4.963 1.319 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.173 -3.445 1.548 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.551 -3.519 -1.004 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.157 -3.210 0.641 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.867 -4.516 -0.339 1.00 0.56 H new ATOM 92 N LYS A 6 -1.089 -6.269 3.398 1.00 0.36 N ATOM 93 CA LYS A 6 -2.096 -7.159 3.887 1.00 0.39 C ATOM 94 C LYS A 6 -3.399 -6.436 3.885 1.00 0.46 C ATOM 95 O LYS A 6 -3.561 -5.273 4.252 1.00 0.53 O ATOM 96 CB LYS A 6 -1.677 -7.765 5.238 1.00 0.54 C ATOM 97 CG LYS A 6 -2.643 -8.866 5.677 1.00 1.22 C ATOM 98 CD LYS A 6 -2.091 -9.428 6.989 1.00 1.37 C ATOM 99 CE LYS A 6 -2.851 -10.657 7.490 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.321 -10.862 8.856 1.00 2.09 N ATOM 0 H LYS A 6 -0.956 -5.434 3.968 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.220 -8.026 3.238 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.669 -8.173 5.159 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.646 -6.982 5.996 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.648 -8.468 5.818 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.713 -9.646 4.919 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.042 -9.690 6.851 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.128 -8.651 7.753 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -3.927 -10.486 7.499 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.671 -11.525 6.856 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.783 -11.688 9.287 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.295 -11.025 8.809 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.512 -10.018 9.433 1.00 2.09 H new ATOM 114 N THR A 7 -4.490 -7.076 3.427 1.00 0.58 N ATOM 115 CA THR A 7 -5.817 -6.546 3.415 1.00 0.78 C ATOM 116 C THR A 7 -6.486 -6.847 4.712 1.00 0.94 C ATOM 117 O THR A 7 -5.961 -7.656 5.474 1.00 0.99 O ATOM 118 CB THR A 7 -6.607 -7.019 2.230 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.792 -8.426 2.227 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.028 -6.635 0.857 1.00 0.92 C ATOM 0 H THR A 7 -4.441 -8.019 3.043 1.00 0.58 H new ATOM 0 HA THR A 7 -5.760 -5.463 3.306 1.00 0.78 H new ATOM 0 HB THR A 7 -7.554 -6.496 2.358 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.312 -8.686 1.438 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.673 -7.024 0.069 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.971 -5.549 0.777 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.030 -7.059 0.752 1.00 0.92 H new ATOM 128 N LEU A 8 -7.699 -6.286 4.864 1.00 1.17 N ATOM 129 CA LEU A 8 -8.598 -6.553 5.943 1.00 1.39 C ATOM 130 C LEU A 8 -9.305 -7.864 5.950 1.00 1.44 C ATOM 131 O LEU A 8 -9.676 -8.513 6.927 1.00 1.60 O ATOM 132 CB LEU A 8 -9.601 -5.387 5.929 1.00 1.66 C ATOM 133 CG LEU A 8 -8.991 -3.991 6.136 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.775 -2.962 5.304 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.894 -3.694 7.642 1.00 2.43 C ATOM 0 H LEU A 8 -8.072 -5.610 4.198 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.002 -6.630 6.852 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.130 -5.396 4.976 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.344 -5.560 6.708 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.967 -3.935 5.767 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.344 -1.972 5.450 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.721 -3.230 4.249 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.817 -2.954 5.623 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.462 -2.705 7.791 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.890 -3.725 8.084 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.262 -4.442 8.120 1.00 2.43 H new ATOM 147 N THR A 9 -9.425 -8.439 4.740 1.00 1.41 N ATOM 148 CA THR A 9 -10.162 -9.647 4.535 1.00 1.51 C ATOM 149 C THR A 9 -9.228 -10.790 4.738 1.00 1.37 C ATOM 150 O THR A 9 -9.658 -11.937 4.848 1.00 1.62 O ATOM 151 CB THR A 9 -10.928 -9.702 3.248 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.179 -9.192 2.154 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.108 -8.719 3.307 1.00 2.08 C ATOM 0 H THR A 9 -9.004 -8.060 3.892 1.00 1.41 H new ATOM 0 HA THR A 9 -10.964 -9.699 5.271 1.00 1.51 H new ATOM 0 HB THR A 9 -11.202 -10.749 3.120 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.715 -9.248 1.336 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.663 -8.761 2.370 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.767 -8.990 4.132 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.732 -7.708 3.461 1.00 2.08 H new ATOM 161 N GLY A 10 -7.915 -10.496 4.787 1.00 1.18 N ATOM 162 CA GLY A 10 -6.921 -11.426 5.220 1.00 1.22 C ATOM 163 C GLY A 10 -6.082 -12.017 4.141 1.00 0.99 C ATOM 164 O GLY A 10 -5.607 -13.147 4.257 1.00 1.31 O ATOM 0 H GLY A 10 -7.537 -9.588 4.518 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.266 -10.925 5.932 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.415 -12.236 5.757 1.00 1.22 H new ATOM 168 N LYS A 11 -5.878 -11.167 3.120 1.00 0.73 N ATOM 169 CA LYS A 11 -5.109 -11.713 2.045 1.00 0.60 C ATOM 170 C LYS A 11 -3.846 -10.922 2.084 1.00 0.51 C ATOM 171 O LYS A 11 -3.879 -9.719 2.338 1.00 0.63 O ATOM 172 CB LYS A 11 -5.810 -11.465 0.699 1.00 0.75 C ATOM 173 CG LYS A 11 -4.999 -11.964 -0.498 1.00 0.87 C ATOM 174 CD LYS A 11 -5.706 -11.927 -1.854 1.00 1.04 C ATOM 175 CE LYS A 11 -4.757 -12.303 -2.994 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.387 -12.313 -4.333 1.00 1.40 N ATOM 0 H LYS A 11 -6.204 -10.204 3.034 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.962 -12.789 2.143 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.781 -11.960 0.705 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.997 -10.397 0.584 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.090 -11.367 -0.569 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.691 -12.991 -0.300 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.552 -12.614 -1.843 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.108 -10.929 -2.028 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.923 -11.601 -3.003 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.341 -13.290 -2.794 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.662 -12.493 -5.056 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.108 -13.061 -4.372 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.834 -11.391 -4.513 1.00 1.40 H new ATOM 190 N THR A 12 -2.671 -11.554 1.915 1.00 0.49 N ATOM 191 CA THR A 12 -1.376 -10.948 1.942 1.00 0.48 C ATOM 192 C THR A 12 -0.779 -10.916 0.578 1.00 0.52 C ATOM 193 O THR A 12 -0.684 -11.893 -0.164 1.00 0.72 O ATOM 194 CB THR A 12 -0.555 -11.522 3.060 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.290 -11.408 4.270 1.00 0.77 O ATOM 196 CG2 THR A 12 0.769 -10.750 3.189 1.00 0.78 C ATOM 0 H THR A 12 -2.624 -12.559 1.748 1.00 0.49 H new ATOM 0 HA THR A 12 -1.433 -9.890 2.198 1.00 0.48 H new ATOM 0 HB THR A 12 -0.334 -12.569 2.853 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.765 -11.781 5.008 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.359 -11.173 4.002 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.328 -10.828 2.257 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.560 -9.701 3.400 1.00 0.78 H new ATOM 204 N ILE A 13 -0.373 -9.725 0.103 1.00 0.48 N ATOM 205 CA ILE A 13 0.234 -9.482 -1.169 1.00 0.55 C ATOM 206 C ILE A 13 1.670 -9.135 -0.980 1.00 0.51 C ATOM 207 O ILE A 13 2.101 -8.196 -0.314 1.00 0.56 O ATOM 208 CB ILE A 13 -0.358 -8.344 -1.949 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.868 -8.589 -2.103 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.237 -8.081 -3.343 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.593 -7.728 -3.138 1.00 1.55 C ATOM 0 H ILE A 13 -0.477 -8.870 0.649 1.00 0.48 H new ATOM 0 HA ILE A 13 0.071 -10.404 -1.727 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.118 -7.453 -1.368 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.020 -9.637 -2.363 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.341 -8.430 -1.134 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.275 -7.236 -3.803 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.299 -7.855 -3.249 1.00 1.13 H new ATOM 0 HG23 ILE A 13 0.109 -8.966 -3.966 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.650 -7.992 -3.155 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.486 -6.676 -2.875 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.160 -7.901 -4.123 1.00 1.55 H new ATOM 223 N THR A 14 2.618 -9.880 -1.577 1.00 0.55 N ATOM 224 CA THR A 14 4.027 -9.637 -1.540 1.00 0.54 C ATOM 225 C THR A 14 4.464 -8.881 -2.748 1.00 0.55 C ATOM 226 O THR A 14 4.239 -9.251 -3.898 1.00 0.72 O ATOM 227 CB THR A 14 4.815 -10.906 -1.407 1.00 0.67 C ATOM 228 OG1 THR A 14 4.522 -11.609 -0.209 1.00 1.08 O ATOM 229 CG2 THR A 14 6.283 -10.480 -1.227 1.00 1.03 C ATOM 0 H THR A 14 2.383 -10.709 -2.123 1.00 0.55 H new ATOM 0 HA THR A 14 4.224 -9.034 -0.654 1.00 0.54 H new ATOM 0 HB THR A 14 4.595 -11.530 -2.273 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.059 -12.428 -0.171 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.909 -11.366 -1.124 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.605 -9.907 -2.097 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.376 -9.864 -0.332 1.00 1.03 H new ATOM 237 N LEU A 15 5.035 -7.672 -2.597 1.00 0.50 N ATOM 238 CA LEU A 15 5.439 -6.791 -3.649 1.00 0.55 C ATOM 239 C LEU A 15 6.843 -6.290 -3.626 1.00 0.52 C ATOM 240 O LEU A 15 7.394 -5.994 -2.568 1.00 0.58 O ATOM 241 CB LEU A 15 4.592 -5.510 -3.734 1.00 0.69 C ATOM 242 CG LEU A 15 3.087 -5.823 -3.788 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.372 -4.470 -3.640 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.768 -6.358 -5.195 1.00 1.55 C ATOM 0 H LEU A 15 5.227 -7.284 -1.674 1.00 0.50 H new ATOM 0 HA LEU A 15 5.307 -7.464 -4.496 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.801 -4.878 -2.871 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.878 -4.944 -4.620 1.00 0.69 H new ATOM 0 HG LEU A 15 2.788 -6.541 -3.024 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.293 -4.623 -3.671 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.647 -4.015 -2.688 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.668 -3.811 -4.456 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.705 -6.589 -5.264 1.00 1.55 H new ATOM 0 HD22 LEU A 15 3.024 -5.603 -5.938 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.349 -7.261 -5.381 1.00 1.55 H new ATOM 256 N GLU A 16 7.468 -6.243 -4.816 1.00 0.59 N ATOM 257 CA GLU A 16 8.798 -5.782 -5.065 1.00 0.63 C ATOM 258 C GLU A 16 8.759 -4.371 -5.542 1.00 0.65 C ATOM 259 O GLU A 16 8.217 -4.110 -6.614 1.00 0.81 O ATOM 260 CB GLU A 16 9.477 -6.718 -6.079 1.00 0.76 C ATOM 261 CG GLU A 16 9.758 -8.119 -5.535 1.00 1.41 C ATOM 262 CD GLU A 16 10.718 -8.854 -6.461 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.332 -9.350 -7.553 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.906 -9.061 -6.097 1.00 1.92 O ATOM 0 H GLU A 16 7.005 -6.552 -5.671 1.00 0.59 H new ATOM 0 HA GLU A 16 9.385 -5.800 -4.147 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.844 -6.802 -6.962 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.416 -6.269 -6.402 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.185 -8.051 -4.535 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.826 -8.677 -5.446 1.00 1.41 H new ATOM 271 N VAL A 17 9.202 -3.424 -4.695 1.00 0.61 N ATOM 272 CA VAL A 17 9.298 -2.015 -4.914 1.00 0.63 C ATOM 273 C VAL A 17 10.722 -1.599 -4.766 1.00 0.65 C ATOM 274 O VAL A 17 11.482 -2.270 -4.071 1.00 0.76 O ATOM 275 CB VAL A 17 8.547 -1.194 -3.908 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.069 -0.994 -4.281 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.741 -1.668 -2.458 1.00 0.92 C ATOM 0 H VAL A 17 9.526 -3.675 -3.761 1.00 0.61 H new ATOM 0 HA VAL A 17 8.882 -1.843 -5.907 1.00 0.63 H new ATOM 0 HB VAL A 17 9.003 -0.205 -3.948 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.579 -0.393 -3.515 1.00 0.96 H new ATOM 0 HG12 VAL A 17 7.002 -0.483 -5.242 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.577 -1.964 -4.351 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.169 -1.028 -1.786 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.394 -2.697 -2.362 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.798 -1.616 -2.196 1.00 0.92 H new ATOM 287 N GLU A 18 11.080 -0.457 -5.378 1.00 0.68 N ATOM 288 CA GLU A 18 12.196 0.349 -4.991 1.00 0.74 C ATOM 289 C GLU A 18 11.813 1.504 -4.132 1.00 0.71 C ATOM 290 O GLU A 18 10.637 1.854 -4.223 1.00 0.74 O ATOM 291 CB GLU A 18 12.970 0.775 -6.250 1.00 0.88 C ATOM 292 CG GLU A 18 13.598 -0.400 -7.003 1.00 1.16 C ATOM 293 CD GLU A 18 14.831 -1.035 -6.376 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.773 -0.283 -6.006 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.938 -2.290 -6.355 1.00 2.35 O ATOM 0 H GLU A 18 10.570 -0.079 -6.177 1.00 0.68 H new ATOM 0 HA GLU A 18 12.853 -0.252 -4.361 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.295 1.307 -6.920 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.755 1.476 -5.965 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.839 -1.174 -7.119 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.863 -0.060 -8.004 1.00 1.16 H new ATOM 302 N PRO A 19 12.518 2.067 -3.197 1.00 0.74 N ATOM 303 CA PRO A 19 12.044 3.078 -2.297 1.00 0.74 C ATOM 304 C PRO A 19 11.798 4.387 -2.965 1.00 0.70 C ATOM 305 O PRO A 19 11.141 5.194 -2.310 1.00 0.74 O ATOM 306 CB PRO A 19 13.154 3.104 -1.248 1.00 0.86 C ATOM 307 CG PRO A 19 14.408 2.727 -2.053 1.00 0.95 C ATOM 308 CD PRO A 19 13.834 1.549 -2.857 1.00 0.82 C ATOM 0 HA PRO A 19 11.064 2.869 -1.869 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.251 4.088 -0.789 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.964 2.394 -0.443 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.760 3.539 -2.689 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.244 2.435 -1.418 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.430 1.323 -3.741 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.778 0.634 -2.267 1.00 0.82 H new ATOM 316 N SER A 20 12.284 4.591 -4.203 1.00 0.70 N ATOM 317 CA SER A 20 12.008 5.761 -4.978 1.00 0.74 C ATOM 318 C SER A 20 10.600 5.624 -5.446 1.00 0.71 C ATOM 319 O SER A 20 9.978 6.617 -5.823 1.00 0.80 O ATOM 320 CB SER A 20 12.859 6.076 -6.220 1.00 0.89 C ATOM 321 OG SER A 20 14.246 6.028 -5.919 1.00 1.45 O ATOM 0 H SER A 20 12.888 3.921 -4.679 1.00 0.70 H new ATOM 0 HA SER A 20 12.240 6.584 -4.302 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.631 5.361 -7.011 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.601 7.065 -6.600 1.00 0.89 H new ATOM 0 HG SER A 20 14.763 6.230 -6.726 1.00 1.45 H new ATOM 327 N ASP A 21 10.027 4.417 -5.586 1.00 0.70 N ATOM 328 CA ASP A 21 8.676 4.287 -6.039 1.00 0.73 C ATOM 329 C ASP A 21 7.622 4.796 -5.117 1.00 0.64 C ATOM 330 O ASP A 21 7.570 4.574 -3.908 1.00 0.66 O ATOM 331 CB ASP A 21 8.418 2.788 -6.260 1.00 0.87 C ATOM 332 CG ASP A 21 9.132 2.160 -7.448 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.394 2.846 -8.472 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.581 1.003 -7.229 1.00 1.50 O ATOM 0 H ASP A 21 10.496 3.533 -5.387 1.00 0.70 H new ATOM 0 HA ASP A 21 8.598 4.902 -6.936 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.713 2.251 -5.358 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.346 2.638 -6.384 1.00 0.87 H new ATOM 339 N THR A 22 6.642 5.424 -5.791 1.00 0.63 N ATOM 340 CA THR A 22 5.617 6.127 -5.085 1.00 0.58 C ATOM 341 C THR A 22 4.514 5.240 -4.620 1.00 0.53 C ATOM 342 O THR A 22 4.364 4.134 -5.135 1.00 0.58 O ATOM 343 CB THR A 22 5.031 7.275 -5.853 1.00 0.63 C ATOM 344 OG1 THR A 22 4.542 6.820 -7.106 1.00 0.70 O ATOM 345 CG2 THR A 22 6.138 8.313 -6.094 1.00 0.75 C ATOM 0 H THR A 22 6.559 5.446 -6.807 1.00 0.63 H new ATOM 0 HA THR A 22 6.136 6.531 -4.215 1.00 0.58 H new ATOM 0 HB THR A 22 4.209 7.715 -5.288 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.160 7.574 -7.601 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.731 9.156 -6.652 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.523 8.663 -5.136 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.947 7.857 -6.665 1.00 0.75 H new ATOM 353 N ILE A 23 3.688 5.652 -3.641 1.00 0.51 N ATOM 354 CA ILE A 23 2.520 5.113 -3.016 1.00 0.48 C ATOM 355 C ILE A 23 1.461 4.898 -4.042 1.00 0.48 C ATOM 356 O ILE A 23 0.855 3.834 -4.161 1.00 0.51 O ATOM 357 CB ILE A 23 2.043 5.875 -1.815 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.912 5.850 -0.547 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.654 5.338 -1.430 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.065 4.450 0.047 1.00 0.73 C ATOM 0 H ILE A 23 3.894 6.552 -3.206 1.00 0.51 H new ATOM 0 HA ILE A 23 2.796 4.148 -2.592 1.00 0.48 H new ATOM 0 HB ILE A 23 2.067 6.915 -2.142 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.899 6.248 -0.782 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.472 6.510 0.201 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.285 5.877 -0.558 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.035 5.480 -2.263 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.726 4.276 -1.196 1.00 0.61 H new ATOM 0 HD11 ILE A 23 3.689 4.500 0.939 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.083 4.058 0.312 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.532 3.793 -0.686 1.00 0.73 H new ATOM 372 N GLU A 24 1.244 5.913 -4.896 1.00 0.50 N ATOM 373 CA GLU A 24 0.552 5.855 -6.147 1.00 0.53 C ATOM 374 C GLU A 24 0.972 4.729 -7.028 1.00 0.50 C ATOM 375 O GLU A 24 0.132 4.094 -7.664 1.00 0.55 O ATOM 376 CB GLU A 24 0.810 7.110 -6.998 1.00 0.64 C ATOM 377 CG GLU A 24 0.196 7.047 -8.397 1.00 0.95 C ATOM 378 CD GLU A 24 0.067 8.378 -9.125 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.058 9.045 -9.528 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.094 8.767 -9.423 1.00 1.62 O ATOM 0 H GLU A 24 1.582 6.854 -4.693 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.489 5.742 -5.846 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.411 7.980 -6.476 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.886 7.260 -7.090 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.800 6.377 -9.009 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.795 6.600 -8.318 1.00 0.95 H new ATOM 387 N ASN A 25 2.261 4.360 -7.149 1.00 0.51 N ATOM 388 CA ASN A 25 2.749 3.251 -7.908 1.00 0.52 C ATOM 389 C ASN A 25 2.567 1.898 -7.310 1.00 0.47 C ATOM 390 O ASN A 25 2.522 0.932 -8.069 1.00 0.53 O ATOM 391 CB ASN A 25 4.232 3.518 -8.216 1.00 0.64 C ATOM 392 CG ASN A 25 4.392 4.061 -9.629 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.452 3.277 -10.574 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.482 5.398 -9.858 1.00 1.57 N ATOM 0 H ASN A 25 3.011 4.872 -6.685 1.00 0.51 H new ATOM 0 HA ASN A 25 2.134 3.200 -8.807 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.636 4.231 -7.498 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.804 2.597 -8.107 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.599 5.746 -10.810 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.433 6.053 -9.078 1.00 1.57 H new ATOM 401 N VAL A 26 2.451 1.811 -5.973 1.00 0.45 N ATOM 402 CA VAL A 26 2.150 0.602 -5.270 1.00 0.44 C ATOM 403 C VAL A 26 0.716 0.223 -5.413 1.00 0.40 C ATOM 404 O VAL A 26 0.391 -0.939 -5.649 1.00 0.44 O ATOM 405 CB VAL A 26 2.496 0.662 -3.812 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.893 -0.490 -2.990 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.026 0.605 -3.662 1.00 0.62 C ATOM 0 H VAL A 26 2.572 2.615 -5.357 1.00 0.45 H new ATOM 0 HA VAL A 26 2.778 -0.158 -5.734 1.00 0.44 H new ATOM 0 HB VAL A 26 2.077 1.592 -3.429 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.184 -0.383 -1.945 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.806 -0.463 -3.068 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.261 -1.442 -3.373 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.290 0.648 -2.605 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.399 -0.325 -4.092 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.474 1.451 -4.183 1.00 0.62 H new ATOM 417 N LYS A 27 -0.224 1.184 -5.360 1.00 0.40 N ATOM 418 CA LYS A 27 -1.621 1.013 -5.610 1.00 0.41 C ATOM 419 C LYS A 27 -1.918 0.544 -6.993 1.00 0.38 C ATOM 420 O LYS A 27 -2.902 -0.152 -7.238 1.00 0.42 O ATOM 421 CB LYS A 27 -2.386 2.302 -5.262 1.00 0.51 C ATOM 422 CG LYS A 27 -2.143 2.796 -3.836 1.00 0.76 C ATOM 423 CD LYS A 27 -2.901 4.115 -3.672 1.00 0.82 C ATOM 424 CE LYS A 27 -2.911 4.701 -2.258 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.560 6.024 -2.401 1.00 1.11 N ATOM 0 H LYS A 27 0.011 2.149 -5.126 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.970 0.215 -4.955 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.097 3.086 -5.962 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.453 2.129 -5.400 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.491 2.061 -3.111 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.078 2.941 -3.657 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.464 4.851 -4.348 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.932 3.963 -3.990 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.463 4.062 -1.569 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.900 4.797 -1.863 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.354 6.604 -1.563 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.194 6.500 -3.250 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.588 5.898 -2.491 1.00 1.11 H new ATOM 439 N ALA A 28 -1.079 0.879 -7.989 1.00 0.39 N ATOM 440 CA ALA A 28 -1.178 0.438 -9.346 1.00 0.39 C ATOM 441 C ALA A 28 -0.946 -1.029 -9.451 1.00 0.36 C ATOM 442 O ALA A 28 -1.607 -1.752 -10.195 1.00 0.42 O ATOM 443 CB ALA A 28 -0.201 1.251 -10.212 1.00 0.51 C ATOM 0 H ALA A 28 -0.282 1.497 -7.837 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.188 0.612 -9.716 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.271 0.920 -11.248 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.455 2.309 -10.151 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.817 1.101 -9.851 1.00 0.51 H new ATOM 449 N LYS A 29 -0.072 -1.606 -8.606 1.00 0.39 N ATOM 450 CA LYS A 29 0.222 -3.002 -8.509 1.00 0.43 C ATOM 451 C LYS A 29 -0.932 -3.863 -8.126 1.00 0.44 C ATOM 452 O LYS A 29 -1.146 -4.879 -8.786 1.00 0.54 O ATOM 453 CB LYS A 29 1.461 -3.392 -7.685 1.00 0.54 C ATOM 454 CG LYS A 29 2.784 -2.694 -8.008 1.00 0.65 C ATOM 455 CD LYS A 29 4.037 -3.289 -7.364 1.00 1.08 C ATOM 456 CE LYS A 29 5.325 -2.514 -7.651 1.00 1.24 C ATOM 457 NZ LYS A 29 5.619 -2.521 -9.102 1.00 1.44 N ATOM 0 H LYS A 29 0.469 -1.053 -7.941 1.00 0.39 H new ATOM 0 HA LYS A 29 0.473 -3.210 -9.549 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.235 -3.210 -6.634 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.613 -4.465 -7.797 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.919 -2.700 -9.090 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.704 -1.651 -7.702 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.889 -3.336 -6.285 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.159 -4.314 -7.714 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.225 -1.487 -7.299 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.155 -2.960 -7.103 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.553 -2.096 -9.269 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.617 -3.500 -9.452 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.894 -1.972 -9.606 1.00 1.44 H new ATOM 471 N ILE A 30 -1.730 -3.415 -7.140 1.00 0.41 N ATOM 472 CA ILE A 30 -2.939 -4.002 -6.655 1.00 0.44 C ATOM 473 C ILE A 30 -4.007 -3.854 -7.683 1.00 0.45 C ATOM 474 O ILE A 30 -4.920 -4.664 -7.824 1.00 0.56 O ATOM 475 CB ILE A 30 -3.264 -3.530 -5.269 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.963 -3.645 -4.457 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.520 -4.114 -4.598 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.935 -3.180 -3.001 1.00 1.32 C ATOM 0 H ILE A 30 -1.503 -2.558 -6.635 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.825 -5.077 -6.518 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.596 -2.493 -5.323 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.663 -4.693 -4.470 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.195 -3.087 -4.992 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.633 -3.686 -3.602 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.398 -3.874 -5.198 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.420 -5.196 -4.518 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.938 -3.336 -2.588 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.186 -2.120 -2.953 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.661 -3.751 -2.423 1.00 1.32 H new ATOM 490 N GLN A 31 -4.042 -2.765 -8.472 1.00 0.41 N ATOM 491 CA GLN A 31 -5.009 -2.510 -9.493 1.00 0.48 C ATOM 492 C GLN A 31 -4.947 -3.504 -10.603 1.00 0.52 C ATOM 493 O GLN A 31 -5.932 -4.120 -11.004 1.00 0.66 O ATOM 494 CB GLN A 31 -4.807 -1.062 -9.970 1.00 0.52 C ATOM 495 CG GLN A 31 -5.841 -0.683 -11.031 1.00 0.70 C ATOM 496 CD GLN A 31 -5.776 0.772 -11.476 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.801 1.446 -11.559 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.562 1.302 -11.784 1.00 1.43 N ATOM 0 H GLN A 31 -3.352 -2.018 -8.391 1.00 0.41 H new ATOM 0 HA GLN A 31 -6.015 -2.624 -9.090 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.886 -0.382 -9.122 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.803 -0.947 -10.379 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.703 -1.324 -11.902 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.838 -0.887 -10.640 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.722 0.729 -11.710 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.492 2.273 -12.089 1.00 1.43 H new ATOM 507 N ASP A 32 -3.751 -3.751 -11.165 1.00 0.50 N ATOM 508 CA ASP A 32 -3.411 -4.763 -12.117 1.00 0.60 C ATOM 509 C ASP A 32 -3.804 -6.117 -11.635 1.00 0.65 C ATOM 510 O ASP A 32 -4.466 -6.864 -12.354 1.00 0.81 O ATOM 511 CB ASP A 32 -1.931 -4.735 -12.530 1.00 0.67 C ATOM 512 CG ASP A 32 -1.498 -3.495 -13.299 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.292 -2.663 -13.814 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.263 -3.378 -13.520 1.00 1.51 O ATOM 0 H ASP A 32 -2.939 -3.181 -10.926 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.986 -4.535 -13.014 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.318 -4.819 -11.633 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.724 -5.613 -13.141 1.00 0.67 H new ATOM 519 N LYS A 33 -3.439 -6.485 -10.393 1.00 0.62 N ATOM 520 CA LYS A 33 -3.804 -7.803 -9.976 1.00 0.73 C ATOM 521 C LYS A 33 -5.206 -8.018 -9.520 1.00 0.69 C ATOM 522 O LYS A 33 -5.976 -8.793 -10.085 1.00 0.83 O ATOM 523 CB LYS A 33 -2.795 -8.265 -8.910 1.00 0.85 C ATOM 524 CG LYS A 33 -1.346 -8.240 -9.403 1.00 1.31 C ATOM 525 CD LYS A 33 -0.310 -8.624 -8.345 1.00 1.71 C ATOM 526 CE LYS A 33 1.153 -8.245 -8.582 1.00 2.26 C ATOM 527 NZ LYS A 33 1.588 -8.873 -9.849 1.00 2.62 N ATOM 0 H LYS A 33 -2.927 -5.916 -9.719 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.766 -8.412 -10.879 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.885 -7.625 -8.032 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.047 -9.277 -8.594 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.252 -8.920 -10.250 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.118 -7.240 -9.771 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.619 -8.176 -7.401 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.355 -9.705 -8.215 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.262 -7.162 -8.636 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.774 -8.587 -7.754 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.582 -8.630 -10.033 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.492 -9.906 -9.775 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.996 -8.525 -10.630 1.00 2.62 H new ATOM 541 N GLU A 34 -5.524 -7.278 -8.444 1.00 0.63 N ATOM 542 CA GLU A 34 -6.719 -7.542 -7.704 1.00 0.67 C ATOM 543 C GLU A 34 -7.967 -6.871 -8.169 1.00 0.69 C ATOM 544 O GLU A 34 -9.092 -7.337 -8.000 1.00 0.95 O ATOM 545 CB GLU A 34 -6.487 -7.077 -6.257 1.00 0.73 C ATOM 546 CG GLU A 34 -5.250 -7.649 -5.562 1.00 0.83 C ATOM 547 CD GLU A 34 -5.350 -9.166 -5.469 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.307 -9.757 -4.902 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.407 -9.839 -5.962 1.00 1.48 O ATOM 0 H GLU A 34 -4.961 -6.505 -8.089 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.890 -8.611 -7.832 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.412 -5.990 -6.253 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.365 -7.338 -5.667 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.353 -7.370 -6.114 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.155 -7.222 -4.564 1.00 0.83 H new ATOM 556 N GLY A 35 -7.782 -5.688 -8.780 1.00 0.63 N ATOM 557 CA GLY A 35 -8.887 -5.044 -9.419 1.00 0.68 C ATOM 558 C GLY A 35 -9.348 -3.812 -8.719 1.00 0.76 C ATOM 559 O GLY A 35 -10.423 -3.306 -9.039 1.00 1.12 O ATOM 0 H GLY A 35 -6.894 -5.188 -8.832 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.606 -4.787 -10.440 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.718 -5.747 -9.484 1.00 0.68 H new ATOM 563 N ILE A 36 -8.531 -3.302 -7.781 1.00 0.70 N ATOM 564 CA ILE A 36 -8.915 -2.241 -6.902 1.00 0.76 C ATOM 565 C ILE A 36 -8.413 -0.973 -7.504 1.00 0.71 C ATOM 566 O ILE A 36 -7.184 -0.952 -7.553 1.00 0.73 O ATOM 567 CB ILE A 36 -8.491 -2.255 -5.464 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.841 -3.617 -4.843 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.205 -1.142 -4.678 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.125 -3.815 -3.508 1.00 1.16 C ATOM 0 H ILE A 36 -7.579 -3.635 -7.629 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.996 -2.362 -6.830 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.415 -2.086 -5.415 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.919 -3.686 -4.695 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.562 -4.416 -5.530 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.884 -1.169 -3.637 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.955 -0.173 -5.110 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.283 -1.294 -4.729 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.392 -4.787 -3.093 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.047 -3.770 -3.663 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.425 -3.029 -2.814 1.00 1.16 H new ATOM 582 N PRO A 37 -9.078 0.074 -7.892 1.00 0.75 N ATOM 583 CA PRO A 37 -8.443 1.285 -8.322 1.00 0.79 C ATOM 584 C PRO A 37 -7.786 2.044 -7.221 1.00 0.75 C ATOM 585 O PRO A 37 -8.190 1.875 -6.071 1.00 0.75 O ATOM 586 CB PRO A 37 -9.607 2.126 -8.840 1.00 0.95 C ATOM 587 CG PRO A 37 -10.849 1.672 -8.058 1.00 1.02 C ATOM 588 CD PRO A 37 -10.526 0.191 -7.810 1.00 0.85 C ATOM 0 HA PRO A 37 -7.656 1.063 -9.042 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.418 3.188 -8.686 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.747 1.979 -9.911 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.974 2.226 -7.128 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.766 1.802 -8.632 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.888 -0.128 -6.833 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.011 -0.443 -8.552 1.00 0.85 H new ATOM 596 N PRO A 38 -6.848 2.923 -7.414 1.00 0.81 N ATOM 597 CA PRO A 38 -6.128 3.539 -6.338 1.00 0.85 C ATOM 598 C PRO A 38 -6.957 4.461 -5.511 1.00 0.89 C ATOM 599 O PRO A 38 -6.647 4.563 -4.324 1.00 0.99 O ATOM 600 CB PRO A 38 -4.948 4.236 -7.011 1.00 1.01 C ATOM 601 CG PRO A 38 -4.623 3.310 -8.194 1.00 1.25 C ATOM 602 CD PRO A 38 -6.046 2.925 -8.628 1.00 0.98 C ATOM 0 HA PRO A 38 -5.800 2.799 -5.608 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.210 5.240 -7.345 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.100 4.337 -6.334 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.070 3.820 -8.983 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.030 2.446 -7.896 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.439 3.637 -9.354 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.057 1.945 -9.105 1.00 0.98 H new ATOM 610 N ASP A 39 -8.016 5.030 -6.113 1.00 0.96 N ATOM 611 CA ASP A 39 -9.028 5.851 -5.523 1.00 1.11 C ATOM 612 C ASP A 39 -9.684 5.128 -4.398 1.00 1.00 C ATOM 613 O ASP A 39 -9.936 5.694 -3.335 1.00 1.14 O ATOM 614 CB ASP A 39 -10.156 6.178 -6.515 1.00 1.39 C ATOM 615 CG ASP A 39 -9.458 6.918 -7.647 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.686 7.873 -7.364 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.599 6.559 -8.847 1.00 2.25 O ATOM 0 H ASP A 39 -8.178 4.901 -7.112 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.526 6.762 -5.198 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.645 5.272 -6.874 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.927 6.795 -6.052 1.00 1.39 H new ATOM 622 N GLN A 40 -9.815 3.793 -4.497 1.00 0.87 N ATOM 623 CA GLN A 40 -10.348 2.966 -3.459 1.00 0.84 C ATOM 624 C GLN A 40 -9.354 2.267 -2.598 1.00 0.67 C ATOM 625 O GLN A 40 -9.715 1.332 -1.885 1.00 0.80 O ATOM 626 CB GLN A 40 -11.379 1.957 -3.995 1.00 0.95 C ATOM 627 CG GLN A 40 -12.629 2.657 -4.529 1.00 1.32 C ATOM 628 CD GLN A 40 -13.419 1.745 -5.457 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.708 2.114 -6.594 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.833 0.547 -4.965 1.00 2.02 N ATOM 0 H GLN A 40 -9.540 3.271 -5.329 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.837 3.688 -2.804 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.928 1.362 -4.789 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.660 1.266 -3.200 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.260 2.966 -3.695 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.341 3.562 -5.063 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.577 0.269 -4.018 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.400 -0.074 -5.543 1.00 2.02 H new ATOM 639 N GLN A 41 -8.097 2.745 -2.566 1.00 0.56 N ATOM 640 CA GLN A 41 -7.050 2.090 -1.846 1.00 0.51 C ATOM 641 C GLN A 41 -6.412 3.093 -0.948 1.00 0.49 C ATOM 642 O GLN A 41 -5.818 4.070 -1.402 1.00 0.65 O ATOM 643 CB GLN A 41 -5.929 1.579 -2.767 1.00 0.67 C ATOM 644 CG GLN A 41 -6.231 0.275 -3.508 1.00 0.69 C ATOM 645 CD GLN A 41 -5.032 -0.126 -4.354 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.926 -0.282 -3.838 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.249 -0.228 -5.692 1.00 0.61 N ATOM 0 H GLN A 41 -7.804 3.596 -3.046 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.498 1.247 -1.319 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.706 2.352 -3.503 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.028 1.438 -2.170 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.464 -0.515 -2.794 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.109 0.401 -4.142 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.187 -0.089 -6.069 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.474 -0.443 -6.319 1.00 0.61 H new ATOM 656 N ARG A 42 -6.575 2.899 0.372 1.00 0.47 N ATOM 657 CA ARG A 42 -5.901 3.721 1.330 1.00 0.55 C ATOM 658 C ARG A 42 -4.862 2.904 2.017 1.00 0.46 C ATOM 659 O ARG A 42 -5.192 1.826 2.512 1.00 0.52 O ATOM 660 CB ARG A 42 -6.983 4.167 2.329 1.00 0.73 C ATOM 661 CG ARG A 42 -6.494 4.926 3.564 1.00 1.04 C ATOM 662 CD ARG A 42 -6.249 6.426 3.387 1.00 1.28 C ATOM 663 NE ARG A 42 -7.545 7.138 3.564 1.00 1.69 N ATOM 664 CZ ARG A 42 -7.601 8.493 3.405 1.00 2.19 C ATOM 665 NH1 ARG A 42 -6.539 9.262 3.023 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.791 9.116 3.643 1.00 2.78 N ATOM 0 H ARG A 42 -7.171 2.176 0.776 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.409 4.581 0.875 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.697 4.798 1.800 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.525 3.283 2.663 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.226 4.791 4.360 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.566 4.466 3.903 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -5.519 6.780 4.116 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -5.837 6.629 2.399 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.388 6.615 3.803 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -5.635 8.827 2.838 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -6.650 10.271 2.923 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.604 8.571 3.930 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.868 10.127 3.534 1.00 2.78 H new ATOM 680 N LEU A 43 -3.616 3.406 2.039 1.00 0.46 N ATOM 681 CA LEU A 43 -2.632 2.617 2.713 1.00 0.42 C ATOM 682 C LEU A 43 -2.141 3.200 3.992 1.00 0.43 C ATOM 683 O LEU A 43 -1.984 4.419 3.931 1.00 0.55 O ATOM 684 CB LEU A 43 -1.362 2.481 1.856 1.00 0.55 C ATOM 685 CG LEU A 43 -1.658 1.798 0.510 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.284 1.348 -0.014 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.479 0.498 0.456 1.00 1.12 C ATOM 0 H LEU A 43 -3.304 4.285 1.627 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.147 1.675 2.900 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.935 3.468 1.678 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.615 1.904 2.401 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.250 2.541 -0.025 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.407 0.849 -0.975 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.361 2.218 -0.136 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.169 0.658 0.698 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.579 0.174 -0.580 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.972 -0.277 1.032 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.468 0.675 0.878 1.00 1.12 H new ATOM 699 N ILE A 44 -1.875 2.362 5.009 1.00 0.42 N ATOM 700 CA ILE A 44 -1.517 2.856 6.302 1.00 0.46 C ATOM 701 C ILE A 44 -0.264 2.134 6.662 1.00 0.42 C ATOM 702 O ILE A 44 -0.079 0.929 6.495 1.00 0.53 O ATOM 703 CB ILE A 44 -2.640 2.600 7.262 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.970 3.109 6.681 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.365 3.086 8.696 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.145 3.287 7.641 1.00 1.27 C ATOM 0 H ILE A 44 -1.908 1.345 4.937 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.346 3.932 6.326 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.723 1.519 7.376 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.780 4.070 6.202 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.280 2.418 5.897 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.225 2.863 9.327 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.485 2.578 9.090 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.190 4.162 8.688 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.013 3.651 7.091 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.384 2.330 8.105 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.877 4.008 8.414 1.00 1.27 H new ATOM 718 N PHE A 45 0.650 2.849 7.339 1.00 0.42 N ATOM 719 CA PHE A 45 1.785 2.225 7.947 1.00 0.46 C ATOM 720 C PHE A 45 2.197 3.128 9.058 1.00 0.68 C ATOM 721 O PHE A 45 2.192 4.355 8.972 1.00 1.50 O ATOM 722 CB PHE A 45 2.926 1.981 6.946 1.00 0.56 C ATOM 723 CG PHE A 45 4.131 1.393 7.596 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.976 0.178 8.220 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.359 2.006 7.684 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.939 -0.454 8.972 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.356 1.401 8.411 1.00 1.20 C ATOM 728 CZ PHE A 45 6.132 0.220 9.080 1.00 1.02 C ATOM 0 H PHE A 45 0.604 3.860 7.466 1.00 0.42 H new ATOM 0 HA PHE A 45 1.532 1.232 8.318 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.578 1.313 6.158 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.196 2.923 6.469 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.024 -0.319 8.111 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.537 2.949 7.189 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.770 -1.411 9.444 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.332 1.861 8.458 1.00 1.20 H new ATOM 0 HZ PHE A 45 6.913 -0.188 9.705 1.00 1.02 H new ATOM 738 N ALA A 46 2.494 2.474 10.195 1.00 0.81 N ATOM 739 CA ALA A 46 2.994 3.161 11.346 1.00 0.96 C ATOM 740 C ALA A 46 2.136 4.198 11.985 1.00 0.97 C ATOM 741 O ALA A 46 2.651 5.118 12.619 1.00 1.21 O ATOM 742 CB ALA A 46 4.441 3.620 11.102 1.00 1.20 C ATOM 0 H ALA A 46 2.388 1.467 10.318 1.00 0.81 H new ATOM 0 HA ALA A 46 2.971 2.405 12.131 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.811 4.142 11.985 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.070 2.752 10.903 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.470 4.292 10.245 1.00 1.20 H new ATOM 748 N GLY A 47 0.802 4.100 11.843 1.00 0.99 N ATOM 749 CA GLY A 47 -0.115 5.097 12.299 1.00 1.10 C ATOM 750 C GLY A 47 -0.371 6.103 11.229 1.00 1.03 C ATOM 751 O GLY A 47 -1.299 6.892 11.400 1.00 1.30 O ATOM 0 H GLY A 47 0.348 3.303 11.397 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.053 4.628 12.596 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.288 5.592 13.183 1.00 1.10 H new ATOM 755 N LYS A 48 0.472 6.101 10.181 1.00 0.98 N ATOM 756 CA LYS A 48 0.426 7.132 9.192 1.00 1.05 C ATOM 757 C LYS A 48 -0.351 6.738 7.983 1.00 0.84 C ATOM 758 O LYS A 48 -0.253 5.628 7.464 1.00 0.81 O ATOM 759 CB LYS A 48 1.891 7.404 8.808 1.00 1.42 C ATOM 760 CG LYS A 48 2.730 7.795 10.025 1.00 1.61 C ATOM 761 CD LYS A 48 4.209 8.010 9.693 1.00 1.87 C ATOM 762 CE LYS A 48 5.131 8.448 10.832 1.00 2.22 C ATOM 763 NZ LYS A 48 6.558 8.579 10.463 1.00 2.55 N ATOM 0 H LYS A 48 1.183 5.388 10.019 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.077 8.012 9.593 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.317 6.515 8.343 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.931 8.202 8.067 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.325 8.709 10.459 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.644 7.017 10.783 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.600 7.079 9.282 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.271 8.758 8.903 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.781 9.406 11.216 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.046 7.728 11.646 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 7.106 8.879 11.295 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.915 7.662 10.126 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.658 9.288 9.709 1.00 2.55 H new ATOM 777 N GLN A 49 -1.333 7.576 7.601 1.00 0.84 N ATOM 778 CA GLN A 49 -2.025 7.432 6.359 1.00 0.80 C ATOM 779 C GLN A 49 -1.148 8.034 5.315 1.00 0.72 C ATOM 780 O GLN A 49 -0.959 9.240 5.167 1.00 0.83 O ATOM 781 CB GLN A 49 -3.413 8.088 6.464 1.00 1.03 C ATOM 782 CG GLN A 49 -4.419 7.316 7.319 1.00 1.67 C ATOM 783 CD GLN A 49 -5.852 7.824 7.235 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.765 7.016 7.400 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.039 9.162 7.093 1.00 2.48 N ATOM 0 H GLN A 49 -1.651 8.365 8.164 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.216 6.392 6.094 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.297 9.089 6.879 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.822 8.204 5.460 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.402 6.268 7.018 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.095 7.354 8.359 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.237 9.778 6.959 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.982 9.551 7.120 1.00 2.48 H new ATOM 794 N LEU A 50 -0.642 7.143 4.443 1.00 0.69 N ATOM 795 CA LEU A 50 0.283 7.358 3.374 1.00 0.66 C ATOM 796 C LEU A 50 -0.272 8.030 2.166 1.00 0.72 C ATOM 797 O LEU A 50 -1.278 7.580 1.620 1.00 0.90 O ATOM 798 CB LEU A 50 0.855 6.001 2.932 1.00 0.65 C ATOM 799 CG LEU A 50 1.378 5.039 4.012 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.834 3.724 3.357 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.553 5.658 4.789 1.00 0.74 C ATOM 0 H LEU A 50 -0.915 6.162 4.497 1.00 0.69 H new ATOM 0 HA LEU A 50 1.035 8.034 3.781 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.078 5.480 2.372 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.672 6.196 2.238 1.00 0.65 H new ATOM 0 HG LEU A 50 0.567 4.844 4.714 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.204 3.044 4.125 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.992 3.264 2.840 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.630 3.931 2.641 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.900 4.954 5.545 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.367 5.882 4.100 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.225 6.578 5.273 1.00 0.74 H new ATOM 813 N GLU A 51 0.301 9.152 1.695 1.00 0.70 N ATOM 814 CA GLU A 51 -0.119 9.875 0.535 1.00 0.76 C ATOM 815 C GLU A 51 0.433 9.483 -0.792 1.00 0.77 C ATOM 816 O GLU A 51 1.601 9.128 -0.945 1.00 1.23 O ATOM 817 CB GLU A 51 0.203 11.336 0.893 1.00 0.88 C ATOM 818 CG GLU A 51 -0.505 11.683 2.205 1.00 1.35 C ATOM 819 CD GLU A 51 -0.748 13.167 2.438 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.741 13.688 1.862 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.039 13.766 3.218 1.00 1.94 O ATOM 0 H GLU A 51 1.106 9.580 2.152 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.171 9.657 0.351 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.280 11.472 0.996 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.128 12.003 0.097 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.464 11.166 2.229 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.088 11.294 3.033 1.00 1.35 H new ATOM 828 N ASP A 52 -0.432 9.543 -1.821 1.00 0.66 N ATOM 829 CA ASP A 52 -0.230 9.103 -3.166 1.00 0.65 C ATOM 830 C ASP A 52 1.041 9.492 -3.838 1.00 0.60 C ATOM 831 O ASP A 52 1.912 8.643 -4.024 1.00 0.62 O ATOM 832 CB ASP A 52 -1.368 9.669 -4.032 1.00 0.81 C ATOM 833 CG ASP A 52 -2.588 8.768 -3.902 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.420 7.561 -4.219 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.646 9.257 -3.424 1.00 1.44 O ATOM 0 H ASP A 52 -1.363 9.939 -1.695 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.198 8.017 -3.081 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.614 10.683 -3.715 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.054 9.728 -5.074 1.00 0.81 H new ATOM 840 N GLY A 53 1.238 10.796 -4.104 1.00 0.68 N ATOM 841 CA GLY A 53 2.482 11.324 -4.572 1.00 0.73 C ATOM 842 C GLY A 53 3.590 11.417 -3.580 1.00 0.72 C ATOM 843 O GLY A 53 4.367 12.365 -3.476 1.00 0.97 O ATOM 0 H GLY A 53 0.512 11.503 -3.990 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.822 10.706 -5.403 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.299 12.322 -4.971 1.00 0.73 H new ATOM 847 N ARG A 54 3.747 10.480 -2.628 1.00 0.64 N ATOM 848 CA ARG A 54 4.953 10.399 -1.866 1.00 0.63 C ATOM 849 C ARG A 54 5.605 9.095 -2.175 1.00 0.59 C ATOM 850 O ARG A 54 4.991 8.246 -2.818 1.00 0.62 O ATOM 851 CB ARG A 54 4.630 10.528 -0.367 1.00 0.69 C ATOM 852 CG ARG A 54 4.355 11.974 0.051 1.00 0.82 C ATOM 853 CD ARG A 54 5.703 12.696 0.079 1.00 1.18 C ATOM 854 NE ARG A 54 5.390 14.105 0.446 1.00 1.50 N ATOM 855 CZ ARG A 54 6.286 15.134 0.399 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.483 15.085 -0.256 1.00 2.49 N ATOM 857 NH2 ARG A 54 5.972 16.323 0.990 1.00 2.48 N ATOM 0 H ARG A 54 3.043 9.782 -2.387 1.00 0.64 H new ATOM 0 HA ARG A 54 5.634 11.210 -2.124 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.761 9.914 -0.132 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.464 10.137 0.216 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.674 12.455 -0.651 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.879 12.008 1.031 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.377 12.241 0.805 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.197 12.643 -0.891 1.00 1.18 H new ATOM 0 HE ARG A 54 4.441 14.316 0.754 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.758 14.238 -0.754 1.00 2.49 H new ATOM 0 HH12 ARG A 54 8.103 15.895 -0.247 1.00 2.49 H new ATOM 0 HH21 ARG A 54 5.075 16.437 1.461 1.00 2.48 H new ATOM 0 HH22 ARG A 54 6.635 17.098 0.960 1.00 2.48 H new ATOM 871 N THR A 55 6.810 8.792 -1.658 1.00 0.63 N ATOM 872 CA THR A 55 7.511 7.553 -1.797 1.00 0.61 C ATOM 873 C THR A 55 7.486 6.786 -0.520 1.00 0.59 C ATOM 874 O THR A 55 6.798 7.086 0.454 1.00 0.64 O ATOM 875 CB THR A 55 8.942 7.697 -2.224 1.00 0.68 C ATOM 876 OG1 THR A 55 9.690 8.412 -1.252 1.00 0.75 O ATOM 877 CG2 THR A 55 9.039 8.525 -3.517 1.00 0.76 C ATOM 0 H THR A 55 7.333 9.467 -1.100 1.00 0.63 H new ATOM 0 HA THR A 55 6.982 7.024 -2.590 1.00 0.61 H new ATOM 0 HB THR A 55 9.330 6.688 -2.361 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.503 9.370 -1.336 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.084 8.619 -3.811 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.482 8.027 -4.311 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.620 9.517 -3.346 1.00 0.76 H new ATOM 885 N LEU A 56 8.227 5.664 -0.560 1.00 0.58 N ATOM 886 CA LEU A 56 8.465 4.754 0.517 1.00 0.59 C ATOM 887 C LEU A 56 9.545 5.301 1.384 1.00 0.64 C ATOM 888 O LEU A 56 9.418 5.151 2.598 1.00 0.70 O ATOM 889 CB LEU A 56 8.781 3.351 -0.029 1.00 0.60 C ATOM 890 CG LEU A 56 7.707 2.825 -0.995 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.339 1.940 -2.082 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.656 2.019 -0.213 1.00 1.03 C ATOM 0 H LEU A 56 8.697 5.371 -1.416 1.00 0.58 H new ATOM 0 HA LEU A 56 7.571 4.647 1.132 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.742 3.375 -0.542 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.882 2.657 0.805 1.00 0.60 H new ATOM 0 HG LEU A 56 7.228 3.676 -1.478 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.561 1.579 -2.755 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.066 2.522 -2.648 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.838 1.091 -1.615 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.896 1.648 -0.901 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.139 1.177 0.283 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.187 2.660 0.533 1.00 1.03 H new ATOM 904 N SER A 57 10.528 5.938 0.722 1.00 0.68 N ATOM 905 CA SER A 57 11.612 6.641 1.334 1.00 0.75 C ATOM 906 C SER A 57 11.107 7.708 2.244 1.00 0.76 C ATOM 907 O SER A 57 11.461 7.740 3.420 1.00 0.84 O ATOM 908 CB SER A 57 12.675 7.070 0.307 1.00 0.84 C ATOM 909 OG SER A 57 13.719 7.706 1.029 1.00 1.19 O ATOM 0 H SER A 57 10.568 5.963 -0.297 1.00 0.68 H new ATOM 0 HA SER A 57 12.160 5.963 1.988 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.055 6.206 -0.239 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.247 7.749 -0.430 1.00 0.84 H new ATOM 0 HG SER A 57 14.419 7.994 0.407 1.00 1.19 H new ATOM 915 N ASP A 58 10.157 8.538 1.777 1.00 0.75 N ATOM 916 CA ASP A 58 9.499 9.556 2.536 1.00 0.78 C ATOM 917 C ASP A 58 8.920 9.212 3.866 1.00 0.77 C ATOM 918 O ASP A 58 9.040 9.948 4.844 1.00 0.86 O ATOM 919 CB ASP A 58 8.353 10.066 1.646 1.00 0.83 C ATOM 920 CG ASP A 58 8.971 10.860 0.504 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.868 11.718 0.716 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.610 10.681 -0.690 1.00 1.90 O ATOM 0 H ASP A 58 9.829 8.495 0.812 1.00 0.75 H new ATOM 0 HA ASP A 58 10.284 10.268 2.789 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.769 9.231 1.259 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.671 10.692 2.222 1.00 0.83 H new ATOM 927 N TYR A 59 8.498 7.944 4.011 1.00 0.72 N ATOM 928 CA TYR A 59 7.909 7.441 5.213 1.00 0.73 C ATOM 929 C TYR A 59 8.839 6.463 5.846 1.00 0.76 C ATOM 930 O TYR A 59 8.534 6.019 6.952 1.00 0.89 O ATOM 931 CB TYR A 59 6.523 6.823 4.967 1.00 0.73 C ATOM 932 CG TYR A 59 5.412 7.635 4.396 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.884 8.515 5.312 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.091 7.645 3.060 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.906 9.394 4.909 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.057 8.470 2.686 1.00 0.70 C ATOM 937 CZ TYR A 59 3.471 9.305 3.609 1.00 0.74 C ATOM 938 OH TYR A 59 2.572 10.261 3.090 1.00 0.86 O ATOM 0 H TYR A 59 8.569 7.247 3.270 1.00 0.72 H new ATOM 0 HA TYR A 59 7.750 8.277 5.894 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.667 5.969 4.305 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.174 6.431 5.922 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.233 8.516 6.334 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.622 7.037 2.342 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.496 10.126 5.589 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.704 8.463 1.665 1.00 0.70 H new ATOM 0 HH TYR A 59 3.064 11.072 2.842 1.00 0.86 H new ATOM 948 N ASN A 60 10.048 6.164 5.339 1.00 0.74 N ATOM 949 CA ASN A 60 11.017 5.229 5.818 1.00 0.79 C ATOM 950 C ASN A 60 10.435 3.857 5.789 1.00 0.75 C ATOM 951 O ASN A 60 10.664 3.073 6.709 1.00 0.86 O ATOM 952 CB ASN A 60 11.538 5.619 7.211 1.00 0.95 C ATOM 953 CG ASN A 60 12.396 6.876 7.218 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.119 7.097 6.247 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.292 7.688 8.304 1.00 1.83 N ATOM 0 H ASN A 60 10.381 6.634 4.497 1.00 0.74 H new ATOM 0 HA ASN A 60 11.887 5.244 5.161 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.688 5.767 7.878 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.120 4.791 7.615 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.837 8.549 8.351 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.669 7.436 9.071 1.00 1.83 H new ATOM 962 N ILE A 61 9.666 3.483 4.751 1.00 0.67 N ATOM 963 CA ILE A 61 9.182 2.152 4.552 1.00 0.65 C ATOM 964 C ILE A 61 10.302 1.348 3.989 1.00 0.66 C ATOM 965 O ILE A 61 10.843 1.576 2.908 1.00 0.75 O ATOM 966 CB ILE A 61 7.935 2.159 3.718 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.736 2.895 4.341 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.486 0.734 3.348 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.692 3.549 3.438 1.00 0.82 C ATOM 0 H ILE A 61 9.370 4.132 4.022 1.00 0.67 H new ATOM 0 HA ILE A 61 8.876 1.686 5.489 1.00 0.65 H new ATOM 0 HB ILE A 61 8.231 2.717 2.829 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.213 2.182 4.979 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.135 3.673 4.992 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.580 0.783 2.744 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.274 0.240 2.780 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.285 0.168 4.258 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.923 4.019 4.052 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.171 4.304 2.815 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.235 2.791 2.802 1.00 0.82 H new ATOM 981 N GLN A 62 10.789 0.344 4.741 1.00 0.67 N ATOM 982 CA GLN A 62 11.873 -0.471 4.287 1.00 0.70 C ATOM 983 C GLN A 62 11.515 -1.867 3.910 1.00 0.62 C ATOM 984 O GLN A 62 10.379 -2.184 3.559 1.00 0.64 O ATOM 985 CB GLN A 62 12.962 -0.580 5.369 1.00 0.85 C ATOM 986 CG GLN A 62 13.713 0.732 5.610 1.00 1.27 C ATOM 987 CD GLN A 62 14.843 0.649 6.625 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.893 1.369 7.622 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.819 -0.283 6.457 1.00 2.16 N ATOM 0 H GLN A 62 10.432 0.097 5.664 1.00 0.67 H new ATOM 0 HA GLN A 62 12.214 0.042 3.388 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.504 -0.905 6.303 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.676 -1.351 5.079 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.122 1.079 4.661 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.000 1.485 5.944 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.805 -0.895 5.641 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.565 -0.370 7.147 1.00 2.16 H new ATOM 998 N LYS A 63 12.480 -2.803 3.897 1.00 0.64 N ATOM 999 CA LYS A 63 12.226 -4.162 3.532 1.00 0.62 C ATOM 1000 C LYS A 63 11.509 -4.943 4.580 1.00 0.59 C ATOM 1001 O LYS A 63 11.730 -4.798 5.781 1.00 0.66 O ATOM 1002 CB LYS A 63 13.453 -4.870 2.932 1.00 0.74 C ATOM 1003 CG LYS A 63 14.420 -5.477 3.950 1.00 0.89 C ATOM 1004 CD LYS A 63 15.801 -5.791 3.372 1.00 1.11 C ATOM 1005 CE LYS A 63 16.740 -6.369 4.433 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.868 -7.058 3.767 1.00 2.12 N ATOM 0 H LYS A 63 13.452 -2.614 4.144 1.00 0.64 H new ATOM 0 HA LYS A 63 11.511 -4.113 2.710 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.106 -5.662 2.268 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.000 -4.155 2.317 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.534 -4.787 4.786 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.986 -6.393 4.349 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.699 -6.500 2.551 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.237 -4.882 2.956 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.114 -5.573 5.076 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.199 -7.067 5.072 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.508 -7.452 4.486 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.502 -7.828 3.171 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.388 -6.380 3.175 1.00 2.12 H new ATOM 1020 N GLU A 64 10.552 -5.757 4.101 1.00 0.57 N ATOM 1021 CA GLU A 64 9.720 -6.639 4.861 1.00 0.58 C ATOM 1022 C GLU A 64 8.680 -5.962 5.686 1.00 0.56 C ATOM 1023 O GLU A 64 8.243 -6.391 6.752 1.00 0.70 O ATOM 1024 CB GLU A 64 10.600 -7.656 5.606 1.00 0.72 C ATOM 1025 CG GLU A 64 11.604 -8.447 4.762 1.00 0.96 C ATOM 1026 CD GLU A 64 12.018 -9.709 5.504 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.203 -10.655 5.673 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.221 -9.752 5.876 1.00 1.69 O ATOM 0 H GLU A 64 10.344 -5.801 3.103 1.00 0.57 H new ATOM 0 HA GLU A 64 9.095 -7.200 4.166 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.152 -7.125 6.381 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.946 -8.367 6.111 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.160 -8.708 3.801 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.480 -7.833 4.552 1.00 0.96 H new ATOM 1035 N SER A 65 8.236 -4.816 5.141 1.00 0.51 N ATOM 1036 CA SER A 65 7.258 -3.963 5.742 1.00 0.51 C ATOM 1037 C SER A 65 5.841 -4.314 5.441 1.00 0.43 C ATOM 1038 O SER A 65 5.480 -4.351 4.265 1.00 0.50 O ATOM 1039 CB SER A 65 7.492 -2.482 5.397 1.00 0.65 C ATOM 1040 OG SER A 65 8.766 -2.062 5.865 1.00 1.04 O ATOM 0 H SER A 65 8.573 -4.469 4.243 1.00 0.51 H new ATOM 0 HA SER A 65 7.403 -4.128 6.810 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.428 -2.338 4.318 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.711 -1.869 5.847 1.00 0.65 H new ATOM 0 HG SER A 65 9.418 -2.119 5.135 1.00 1.04 H new ATOM 1046 N THR A 66 4.934 -4.606 6.389 1.00 0.45 N ATOM 1047 CA THR A 66 3.562 -4.857 6.069 1.00 0.45 C ATOM 1048 C THR A 66 2.833 -3.563 6.189 1.00 0.43 C ATOM 1049 O THR A 66 2.873 -2.890 7.219 1.00 0.58 O ATOM 1050 CB THR A 66 2.978 -5.821 7.058 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.612 -7.068 6.814 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.529 -6.099 6.621 1.00 0.78 C ATOM 0 H THR A 66 5.152 -4.669 7.384 1.00 0.45 H new ATOM 0 HA THR A 66 3.479 -5.274 5.066 1.00 0.45 H new ATOM 0 HB THR A 66 3.074 -5.442 8.075 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.266 -7.739 7.439 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.067 -6.799 7.317 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.965 -5.166 6.616 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.527 -6.529 5.620 1.00 0.78 H new ATOM 1060 N LEU A 67 2.241 -3.181 5.043 1.00 0.38 N ATOM 1061 CA LEU A 67 1.343 -2.077 4.907 1.00 0.38 C ATOM 1062 C LEU A 67 -0.044 -2.606 5.039 1.00 0.37 C ATOM 1063 O LEU A 67 -0.237 -3.773 4.703 1.00 0.50 O ATOM 1064 CB LEU A 67 1.531 -1.409 3.534 1.00 0.46 C ATOM 1065 CG LEU A 67 2.967 -1.109 3.071 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.863 -0.371 1.726 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.830 -0.341 4.086 1.00 1.31 C ATOM 0 H LEU A 67 2.399 -3.671 4.162 1.00 0.38 H new ATOM 0 HA LEU A 67 1.538 -1.327 5.674 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.064 -2.048 2.784 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.978 -0.469 3.541 1.00 0.46 H new ATOM 0 HG LEU A 67 3.498 -2.055 2.967 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.863 -0.138 1.360 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.350 -1.004 1.002 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.302 0.554 1.861 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.824 -0.177 3.669 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.366 0.621 4.305 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.913 -0.921 5.005 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.009 -1.845 5.585 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.396 -2.161 5.736 1.00 0.37 C ATOM 1081 C HIS A 68 -3.127 -1.644 4.545 1.00 0.35 C ATOM 1082 O HIS A 68 -2.952 -0.461 4.258 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.999 -1.600 7.035 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.084 -1.978 8.163 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.629 -1.101 9.125 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.572 -3.185 8.521 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.838 -1.778 10.000 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.751 -3.040 9.622 1.00 1.51 N ATOM 0 H HIS A 68 -0.795 -0.919 5.956 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.497 -3.244 5.806 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -3.102 -0.517 6.972 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.997 -2.006 7.200 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.777 -4.119 8.019 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.357 -1.351 10.867 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.186 -3.768 10.059 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.880 -2.439 3.764 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.657 -1.916 2.683 1.00 0.38 C ATOM 1098 C LEU A 69 -6.053 -1.743 3.174 1.00 0.41 C ATOM 1099 O LEU A 69 -6.701 -2.674 3.650 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.715 -2.743 1.388 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.692 -2.344 0.269 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.816 -0.831 0.024 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.268 -3.071 -1.019 1.00 1.14 C ATOM 0 H LEU A 69 -3.951 -3.450 3.882 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.151 -0.993 2.398 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.713 -2.746 0.959 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.944 -3.771 1.669 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.688 -2.646 0.592 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.527 -0.650 -0.782 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.167 -0.343 0.933 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.843 -0.426 -0.253 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.947 -2.803 -1.828 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.253 -2.777 -1.285 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.303 -4.148 -0.857 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.597 -0.514 3.212 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.867 -0.069 3.698 1.00 0.56 C ATOM 1117 C VAL A 70 -8.616 0.216 2.442 1.00 0.55 C ATOM 1118 O VAL A 70 -8.218 0.927 1.520 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.746 1.160 4.549 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.081 1.805 4.957 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.952 0.913 5.843 1.00 0.97 C ATOM 0 H VAL A 70 -6.065 0.277 2.848 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.354 -0.801 4.342 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.216 1.847 3.889 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.887 2.685 5.570 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.631 2.099 4.063 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.672 1.089 5.528 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.897 1.837 6.418 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.451 0.146 6.435 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.944 0.580 5.594 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.842 -0.330 2.347 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.697 0.046 1.264 1.00 0.84 C ATOM 1133 C LEU A 71 -11.517 1.262 1.529 1.00 0.85 C ATOM 1134 O LEU A 71 -12.127 1.499 2.570 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.663 -1.091 0.893 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.220 -2.119 -0.163 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.610 -1.528 -1.446 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.302 -3.214 0.406 1.00 2.78 C ATOM 0 H LEU A 71 -10.233 -1.011 2.998 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.012 0.266 0.445 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.899 -1.636 1.807 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.590 -0.637 0.544 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.164 -2.574 -0.461 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.332 -2.336 -2.122 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.341 -0.883 -1.933 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -9.724 -0.946 -1.193 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.026 -3.907 -0.389 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.402 -2.757 0.818 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -10.827 -3.756 1.193 1.00 2.78 H new