USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -66:sc= 2.31 USER MOD Set 1.2: A 57 SER OG : rot -50:sc= 1.2 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -121:sc= 1.4 (180deg=0.0649) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.41 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.05) USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.483 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 25 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.76 (180deg=0.907) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 0.632 (180deg=-0.241) USER MOD Single : A 31 GLN : amide:sc= -0.0312 K(o=-0.031,f=-1.8!) 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) USER MOD Single : A 41 GLN : amide:sc= 1.29 K(o=1.3,f=-7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0154 K(o=-0.015,f=-0.96) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.144 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00974 K(o=-0.0097,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 60:sc= 1.23 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=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.701 -7.073 -4.613 1.00 9.67 N ATOM 2 CA MET A 1 11.596 -7.376 -3.178 1.00 10.38 C ATOM 3 C MET A 1 10.229 -7.673 -2.705 1.00 9.62 C ATOM 4 O MET A 1 9.197 -7.117 -3.105 1.00 9.62 O ATOM 5 CB MET A 1 12.508 -6.435 -2.351 1.00 13.77 C ATOM 6 CG MET A 1 12.014 -4.980 -2.300 1.00 16.29 C ATOM 7 SD MET A 1 10.792 -4.675 -0.989 1.00 17.17 S ATOM 8 CE MET A 1 10.830 -2.881 -0.966 1.00 16.11 C ATOM 0 H1 MET A 1 12.700 -7.095 -4.900 1.00 9.67 H new ATOM 0 H2 MET A 1 11.169 -7.781 -5.157 1.00 9.67 H new ATOM 0 H3 MET A 1 11.308 -6.128 -4.798 1.00 9.67 H new ATOM 0 HA MET A 1 12.023 -8.360 -2.982 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.584 -6.819 -1.334 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.512 -6.453 -2.774 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.868 -4.320 -2.150 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.575 -4.720 -3.263 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.134 -2.512 -0.213 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.838 -2.541 -0.727 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.541 -2.498 -1.945 1.00 16.11 H new ATOM 20 N GLN A 2 10.071 -8.640 -1.775 1.00 9.27 N ATOM 21 CA GLN A 2 8.794 -8.946 -1.148 1.00 9.07 C ATOM 22 C GLN A 2 8.414 -7.973 -0.070 1.00 8.72 C ATOM 23 O GLN A 2 9.205 -7.548 0.759 1.00 8.22 O ATOM 24 CB GLN A 2 8.889 -10.440 -0.650 1.00 14.46 C ATOM 25 CG GLN A 2 7.610 -11.103 -0.242 1.00 17.01 C ATOM 26 CD GLN A 2 7.832 -12.567 0.124 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.445 -13.501 -0.594 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.606 -12.864 1.235 1.00 19.49 N ATOM 0 H GLN A 2 10.838 -9.226 -1.446 1.00 9.27 H new ATOM 0 HA GLN A 2 7.980 -8.841 -1.865 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.340 -11.034 -1.445 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.573 -10.471 0.198 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.181 -10.575 0.609 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.888 -11.036 -1.056 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.937 -12.114 1.841 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.845 -13.833 1.446 1.00 19.49 H new ATOM 37 N ILE A 3 7.111 -7.582 -0.022 1.00 5.87 N ATOM 38 CA ILE A 3 6.527 -6.852 1.051 1.00 5.07 C ATOM 39 C ILE A 3 5.246 -7.509 1.355 1.00 4.01 C ATOM 40 O ILE A 3 4.721 -8.250 0.556 1.00 4.61 O ATOM 41 CB ILE A 3 6.340 -5.284 0.849 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.507 -5.109 -0.446 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.652 -4.586 0.811 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.014 -3.696 -0.789 1.00 10.83 C ATOM 0 H ILE A 3 6.449 -7.791 -0.770 1.00 5.87 H new ATOM 0 HA ILE A 3 7.236 -6.883 1.878 1.00 5.07 H new ATOM 0 HB ILE A 3 5.813 -4.825 1.686 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.107 -5.468 -1.282 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.636 -5.761 -0.376 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.491 -3.517 0.672 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.181 -4.755 1.749 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.247 -4.974 -0.016 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.446 -3.724 -1.719 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.376 -3.328 0.014 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.869 -3.031 -0.906 1.00 10.83 H new ATOM 56 N PHE A 4 4.597 -7.236 2.531 1.00 4.55 N ATOM 57 CA PHE A 4 3.300 -7.741 2.937 1.00 4.68 C ATOM 58 C PHE A 4 2.367 -6.578 3.219 1.00 5.30 C ATOM 59 O PHE A 4 2.708 -5.662 3.934 1.00 5.58 O ATOM 60 CB PHE A 4 3.422 -8.560 4.263 1.00 4.83 C ATOM 61 CG PHE A 4 4.332 -9.630 4.053 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.077 -10.695 3.186 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.621 -9.698 4.790 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.987 -11.797 3.087 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.578 -10.699 4.551 1.00 10.61 C ATOM 66 CZ PHE A 4 6.238 -11.756 3.717 1.00 8.90 C ATOM 0 H PHE A 4 5.009 -6.625 3.236 1.00 4.55 H new ATOM 0 HA PHE A 4 2.919 -8.371 2.133 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.772 -7.919 5.072 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.447 -8.946 4.560 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.182 -10.688 2.582 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.830 -8.948 5.539 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.705 -12.671 2.519 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.556 -10.647 5.006 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.945 -12.555 3.552 1.00 8.90 H new ATOM 76 N VAL A 5 1.132 -6.609 2.750 1.00 4.44 N ATOM 77 CA VAL A 5 0.091 -5.692 3.162 1.00 3.87 C ATOM 78 C VAL A 5 -0.812 -6.439 4.171 1.00 4.93 C ATOM 79 O VAL A 5 -1.067 -7.618 3.988 1.00 6.84 O ATOM 80 CB VAL A 5 -0.658 -5.130 1.970 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.761 -4.162 2.409 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.396 -4.481 0.960 1.00 9.13 C ATOM 0 H VAL A 5 0.821 -7.289 2.056 1.00 4.44 H new ATOM 0 HA VAL A 5 0.513 -4.815 3.654 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.178 -5.930 1.442 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.278 -3.777 1.530 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.472 -4.686 3.048 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.319 -3.333 2.962 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.131 -4.073 0.097 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.939 -3.682 1.465 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.099 -5.245 0.628 1.00 9.13 H new ATOM 92 N LYS A 6 -1.281 -5.784 5.263 1.00 6.04 N ATOM 93 CA LYS A 6 -1.961 -6.371 6.389 1.00 6.12 C ATOM 94 C LYS A 6 -3.240 -5.580 6.772 1.00 6.57 C ATOM 95 O LYS A 6 -3.194 -4.424 7.209 1.00 5.76 O ATOM 96 CB LYS A 6 -1.023 -6.344 7.639 1.00 7.45 C ATOM 97 CG LYS A 6 -1.496 -7.248 8.766 1.00 11.12 C ATOM 98 CD LYS A 6 -1.374 -8.703 8.459 1.00 14.54 C ATOM 99 CE LYS A 6 -1.891 -9.572 9.652 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.853 -10.987 9.376 1.00 20.55 N ATOM 0 H LYS A 6 -1.176 -4.774 5.363 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.231 -7.387 6.101 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.020 -6.645 7.338 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.951 -5.321 8.009 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.920 -7.026 9.664 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.538 -7.019 8.991 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.943 -8.938 7.560 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.333 -8.948 8.250 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.287 -9.363 10.535 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.914 -9.281 9.890 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.811 -11.383 9.459 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.497 -11.143 8.412 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.224 -11.457 10.058 1.00 20.55 H new ATOM 114 N THR A 7 -4.400 -6.171 6.434 1.00 7.41 N ATOM 115 CA THR A 7 -5.694 -5.461 6.573 1.00 7.48 C ATOM 116 C THR A 7 -6.237 -5.454 7.950 1.00 8.75 C ATOM 117 O THR A 7 -5.632 -6.090 8.839 1.00 8.58 O ATOM 118 CB THR A 7 -6.678 -5.916 5.532 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.165 -7.213 5.892 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.973 -6.065 4.174 1.00 9.17 C ATOM 0 H THR A 7 -4.474 -7.121 6.069 1.00 7.41 H new ATOM 0 HA THR A 7 -5.492 -4.408 6.378 1.00 7.48 H new ATOM 0 HB THR A 7 -7.484 -5.185 5.469 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.809 -7.519 5.220 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.693 -6.395 3.425 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.552 -5.105 3.875 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.173 -6.801 4.258 1.00 9.17 H new ATOM 128 N LEU A 8 -7.379 -4.686 8.139 1.00 9.84 N ATOM 129 CA LEU A 8 -8.204 -4.573 9.305 1.00 14.15 C ATOM 130 C LEU A 8 -8.627 -5.882 9.815 1.00 17.37 C ATOM 131 O LEU A 8 -8.492 -6.246 11.004 1.00 17.01 O ATOM 132 CB LEU A 8 -9.459 -3.618 9.142 1.00 16.63 C ATOM 133 CG LEU A 8 -9.011 -2.206 8.765 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.030 -1.456 7.904 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.582 -1.383 9.967 1.00 18.59 C ATOM 0 H LEU A 8 -7.733 -4.099 7.384 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.554 -4.097 10.039 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.126 -4.011 8.375 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.026 -3.590 10.073 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.127 -2.348 8.143 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.649 -0.461 7.673 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.197 -2.005 6.977 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.970 -1.367 8.448 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.275 -0.391 9.637 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.416 -1.292 10.662 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.746 -1.875 10.465 1.00 18.59 H new ATOM 147 N THR A 9 -8.992 -6.810 8.872 1.00 18.33 N ATOM 148 CA THR A 9 -9.645 -8.107 9.158 1.00 19.24 C ATOM 149 C THR A 9 -8.552 -9.229 9.193 1.00 19.48 C ATOM 150 O THR A 9 -8.851 -10.396 9.153 1.00 23.14 O ATOM 151 CB THR A 9 -10.696 -8.551 8.110 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.073 -8.503 6.829 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.861 -7.526 8.125 1.00 19.70 C ATOM 0 H THR A 9 -8.832 -6.662 7.876 1.00 18.33 H new ATOM 0 HA THR A 9 -10.161 -7.965 10.108 1.00 19.24 H new ATOM 0 HB THR A 9 -11.068 -9.552 8.327 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.715 -8.781 6.143 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.614 -7.820 7.393 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.311 -7.501 9.118 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.478 -6.537 7.875 1.00 19.70 H new ATOM 161 N GLY A 10 -7.309 -8.852 9.278 1.00 19.43 N ATOM 162 CA GLY A 10 -6.121 -9.646 9.572 1.00 18.74 C ATOM 163 C GLY A 10 -5.657 -10.396 8.296 1.00 17.62 C ATOM 164 O GLY A 10 -4.700 -11.156 8.328 1.00 19.74 O ATOM 0 H GLY A 10 -7.062 -7.874 9.128 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.322 -9.000 9.935 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.338 -10.361 10.366 1.00 18.74 H new ATOM 168 N LYS A 11 -6.310 -10.123 7.162 1.00 13.56 N ATOM 169 CA LYS A 11 -5.760 -10.618 5.931 1.00 11.91 C ATOM 170 C LYS A 11 -4.356 -10.062 5.570 1.00 10.18 C ATOM 171 O LYS A 11 -4.022 -8.885 5.869 1.00 9.10 O ATOM 172 CB LYS A 11 -6.799 -10.603 4.765 1.00 13.43 C ATOM 173 CG LYS A 11 -6.380 -11.234 3.392 1.00 16.69 C ATOM 174 CD LYS A 11 -7.506 -11.295 2.403 1.00 17.92 C ATOM 175 CE LYS A 11 -7.109 -12.054 1.133 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.192 -12.044 0.113 1.00 21.93 N ATOM 0 H LYS A 11 -7.175 -9.588 7.085 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.547 -11.672 6.111 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.694 -11.120 5.110 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.080 -9.566 4.583 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.562 -10.653 2.967 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.000 -12.241 3.563 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.367 -11.781 2.862 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.814 -10.283 2.140 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.209 -11.607 0.710 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.862 -13.084 1.389 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.845 -12.479 -0.766 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.008 -12.582 0.468 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.481 -11.063 -0.077 1.00 21.93 H new ATOM 190 N THR A 12 -3.505 -10.956 4.996 1.00 9.63 N ATOM 191 CA THR A 12 -2.110 -10.669 4.671 1.00 9.85 C ATOM 192 C THR A 12 -2.064 -10.966 3.186 1.00 11.66 C ATOM 193 O THR A 12 -2.587 -11.988 2.746 1.00 12.33 O ATOM 194 CB THR A 12 -1.175 -11.627 5.393 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.488 -11.781 6.790 1.00 10.91 O ATOM 196 CG2 THR A 12 0.259 -11.005 5.307 1.00 9.63 C ATOM 0 H THR A 12 -3.788 -11.904 4.749 1.00 9.63 H new ATOM 0 HA THR A 12 -1.804 -9.661 4.950 1.00 9.85 H new ATOM 0 HB THR A 12 -1.264 -12.607 4.924 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.856 -12.408 7.200 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.970 -11.658 5.813 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.547 -10.897 4.261 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.260 -10.026 5.787 1.00 9.63 H new ATOM 204 N ILE A 13 -1.486 -10.036 2.413 1.00 10.42 N ATOM 205 CA ILE A 13 -1.382 -10.089 0.964 1.00 11.84 C ATOM 206 C ILE A 13 0.084 -9.792 0.641 1.00 10.55 C ATOM 207 O ILE A 13 0.714 -8.811 1.047 1.00 11.92 O ATOM 208 CB ILE A 13 -2.154 -8.963 0.233 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.633 -8.999 0.665 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.998 -8.988 -1.313 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.333 -7.772 0.267 1.00 16.46 C ATOM 0 H ILE A 13 -1.063 -9.195 2.805 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.774 -11.056 0.647 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.708 -8.015 0.533 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.124 -9.863 0.217 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.696 -9.122 1.746 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.569 -8.168 -1.750 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.946 -8.877 -1.574 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.370 -9.936 -1.701 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.374 -7.827 0.586 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.855 -6.912 0.736 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.291 -7.664 -0.817 1.00 16.46 H new ATOM 223 N THR A 14 0.782 -10.693 -0.070 1.00 9.39 N ATOM 224 CA THR A 14 2.185 -10.558 -0.451 1.00 9.63 C ATOM 225 C THR A 14 2.334 -10.009 -1.789 1.00 11.20 C ATOM 226 O THR A 14 1.841 -10.532 -2.793 1.00 11.63 O ATOM 227 CB THR A 14 2.875 -11.930 -0.577 1.00 10.38 C ATOM 228 OG1 THR A 14 2.781 -12.618 0.652 1.00 16.30 O ATOM 229 CG2 THR A 14 4.355 -11.751 -0.730 1.00 11.66 C ATOM 0 H THR A 14 0.365 -11.562 -0.403 1.00 9.39 H new ATOM 0 HA THR A 14 2.615 -9.924 0.325 1.00 9.63 H new ATOM 0 HB THR A 14 2.408 -12.446 -1.416 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.280 -12.129 1.340 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.832 -12.727 -0.818 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.560 -11.165 -1.626 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.751 -11.231 0.142 1.00 11.66 H new ATOM 237 N LEU A 15 3.109 -8.959 -1.899 1.00 8.29 N ATOM 238 CA LEU A 15 3.307 -8.332 -3.184 1.00 9.03 C ATOM 239 C LEU A 15 4.693 -8.365 -3.655 1.00 8.59 C ATOM 240 O LEU A 15 5.620 -8.630 -2.901 1.00 7.79 O ATOM 241 CB LEU A 15 2.931 -6.816 -3.119 1.00 11.08 C ATOM 242 CG LEU A 15 1.447 -6.490 -2.925 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.173 -5.003 -2.811 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.577 -7.059 -4.115 1.00 15.27 C ATOM 0 H LEU A 15 3.609 -8.523 -1.124 1.00 8.29 H new ATOM 0 HA LEU A 15 2.674 -8.903 -3.863 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.491 -6.360 -2.302 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.268 -6.341 -4.040 1.00 11.08 H new ATOM 0 HG LEU A 15 1.169 -6.966 -1.985 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.104 -4.839 -2.675 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.714 -4.598 -1.956 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.504 -4.501 -3.720 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.472 -6.812 -3.949 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.910 -6.616 -5.054 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.691 -8.142 -4.164 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.057 -4.916 1.00 11.04 N ATOM 257 CA GLU A 16 6.313 -7.950 -5.446 1.00 11.50 C ATOM 258 C GLU A 16 6.593 -6.532 -5.941 1.00 10.13 C ATOM 259 O GLU A 16 5.908 -6.021 -6.759 1.00 9.83 O ATOM 260 CB GLU A 16 6.588 -9.038 -6.483 1.00 17.22 C ATOM 261 CG GLU A 16 7.997 -9.030 -7.148 1.00 23.33 C ATOM 262 CD GLU A 16 9.075 -9.142 -6.158 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.059 -10.064 -5.324 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.013 -8.302 -6.227 1.00 28.90 O ATOM 0 H GLU A 16 4.200 -7.874 -5.604 1.00 11.04 H new ATOM 0 HA GLU A 16 7.023 -8.130 -4.639 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.442 -10.007 -6.006 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.839 -8.954 -7.271 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.068 -9.856 -7.856 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.123 -8.110 -7.718 1.00 23.33 H new ATOM 271 N VAL A 17 7.589 -5.821 -5.376 1.00 8.99 N ATOM 272 CA VAL A 17 7.814 -4.415 -5.697 1.00 8.85 C ATOM 273 C VAL A 17 9.301 -4.197 -5.926 1.00 8.04 C ATOM 274 O VAL A 17 10.173 -5.008 -5.481 1.00 8.99 O ATOM 275 CB VAL A 17 7.369 -3.563 -4.503 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.809 -3.481 -4.363 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.040 -3.982 -3.181 1.00 10.54 C ATOM 0 H VAL A 17 8.245 -6.206 -4.696 1.00 8.99 H new ATOM 0 HA VAL A 17 7.253 -4.137 -6.589 1.00 8.85 H new ATOM 0 HB VAL A 17 7.719 -2.554 -4.722 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.553 -2.865 -3.501 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.386 -3.038 -5.264 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.403 -4.483 -4.226 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.684 -3.342 -2.374 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.790 -5.019 -2.959 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.121 -3.882 -3.274 1.00 10.54 H new ATOM 287 N GLU A 18 9.721 -3.007 -6.522 1.00 7.29 N ATOM 288 CA GLU A 18 10.963 -2.304 -6.270 1.00 7.08 C ATOM 289 C GLU A 18 10.905 -1.047 -5.429 1.00 6.45 C ATOM 290 O GLU A 18 9.848 -0.454 -5.258 1.00 5.28 O ATOM 291 CB GLU A 18 11.757 -2.149 -7.570 1.00 10.28 C ATOM 292 CG GLU A 18 12.003 -3.451 -8.412 1.00 12.65 C ATOM 293 CD GLU A 18 12.955 -4.377 -7.735 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.097 -3.957 -7.323 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.590 -5.574 -7.589 1.00 18.17 O ATOM 0 H GLU A 18 9.145 -2.528 -7.214 1.00 7.29 H new ATOM 0 HA GLU A 18 11.512 -2.955 -5.589 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.236 -1.430 -8.202 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.727 -1.715 -7.326 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.054 -3.962 -8.577 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.394 -3.181 -9.393 1.00 12.65 H new ATOM 302 N PRO A 19 11.995 -0.603 -4.868 1.00 7.24 N ATOM 303 CA PRO A 19 12.075 0.677 -4.205 1.00 7.07 C ATOM 304 C PRO A 19 11.687 1.912 -5.035 1.00 6.65 C ATOM 305 O PRO A 19 11.231 2.887 -4.513 1.00 6.37 O ATOM 306 CB PRO A 19 13.540 0.784 -3.739 1.00 7.61 C ATOM 307 CG PRO A 19 13.917 -0.655 -3.429 1.00 8.16 C ATOM 308 CD PRO A 19 13.184 -1.452 -4.582 1.00 7.49 C ATOM 0 HA PRO A 19 11.336 0.693 -3.404 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.178 1.209 -4.514 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.637 1.423 -2.861 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.996 -0.807 -3.453 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.573 -0.961 -2.441 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.819 -1.567 -5.460 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.898 -2.454 -4.262 1.00 7.49 H new ATOM 316 N SER A 20 11.854 1.933 -6.387 1.00 6.80 N ATOM 317 CA SER A 20 11.424 3.048 -7.193 1.00 6.28 C ATOM 318 C SER A 20 9.963 3.038 -7.471 1.00 8.45 C ATOM 319 O SER A 20 9.423 4.086 -7.853 1.00 7.26 O ATOM 320 CB SER A 20 12.197 3.110 -8.473 1.00 8.57 C ATOM 321 OG SER A 20 11.904 1.905 -9.263 1.00 11.13 O ATOM 0 H SER A 20 12.287 1.176 -6.916 1.00 6.80 H new ATOM 0 HA SER A 20 11.627 3.944 -6.607 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.926 4.004 -9.034 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.265 3.175 -8.266 1.00 8.57 H new ATOM 0 HG SER A 20 12.404 1.936 -10.105 1.00 11.13 H new ATOM 327 N ASP A 21 9.303 1.850 -7.256 1.00 7.50 N ATOM 328 CA ASP A 21 7.868 1.795 -7.396 1.00 7.70 C ATOM 329 C ASP A 21 7.065 2.723 -6.434 1.00 7.08 C ATOM 330 O ASP A 21 7.267 2.840 -5.252 1.00 8.11 O ATOM 331 CB ASP A 21 7.280 0.382 -7.454 1.00 11.00 C ATOM 332 CG ASP A 21 7.899 -0.383 -8.607 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.905 0.119 -9.763 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.241 -1.585 -8.480 1.00 14.36 O ATOM 0 H ASP A 21 9.751 0.971 -6.997 1.00 7.50 H new ATOM 0 HA ASP A 21 7.727 2.220 -8.390 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.469 -0.140 -6.516 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.198 0.433 -7.578 1.00 11.00 H new ATOM 339 N THR A 22 6.100 3.457 -6.992 1.00 5.37 N ATOM 340 CA THR A 22 5.160 4.355 -6.413 1.00 6.01 C ATOM 341 C THR A 22 4.161 3.665 -5.530 1.00 8.01 C ATOM 342 O THR A 22 3.753 2.533 -5.827 1.00 8.11 O ATOM 343 CB THR A 22 4.427 5.268 -7.375 1.00 8.92 C ATOM 344 OG1 THR A 22 3.560 4.585 -8.296 1.00 10.22 O ATOM 345 CG2 THR A 22 5.503 5.937 -8.223 1.00 9.65 C ATOM 0 H THR A 22 5.962 3.411 -8.002 1.00 5.37 H new ATOM 0 HA THR A 22 5.805 4.999 -5.815 1.00 6.01 H new ATOM 0 HB THR A 22 3.809 5.942 -6.782 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.123 5.239 -8.880 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.034 6.611 -8.940 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.175 6.503 -7.578 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.070 5.175 -8.758 1.00 9.65 H new ATOM 353 N ILE A 23 3.715 4.251 -4.451 1.00 8.32 N ATOM 354 CA ILE A 23 2.515 3.791 -3.704 1.00 9.92 C ATOM 355 C ILE A 23 1.251 3.679 -4.545 1.00 10.01 C ATOM 356 O ILE A 23 0.532 2.715 -4.446 1.00 8.71 O ATOM 357 CB ILE A 23 2.246 4.723 -2.590 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.394 5.010 -1.647 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.028 4.282 -1.655 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.929 3.767 -0.823 1.00 12.30 C ATOM 0 H ILE A 23 4.160 5.072 -4.040 1.00 8.32 H new ATOM 0 HA ILE A 23 2.753 2.786 -3.355 1.00 9.92 H new ATOM 0 HB ILE A 23 2.022 5.624 -3.161 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.221 5.423 -2.225 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.079 5.781 -0.944 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.894 5.017 -0.861 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.117 4.220 -2.250 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.241 3.308 -1.215 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.750 4.083 -0.180 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.123 3.362 -0.211 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.282 2.999 -1.511 1.00 12.30 H new ATOM 372 N GLU A 24 1.031 4.514 -5.571 1.00 9.54 N ATOM 373 CA GLU A 24 -0.002 4.363 -6.585 1.00 11.81 C ATOM 374 C GLU A 24 0.076 2.980 -7.289 1.00 11.14 C ATOM 375 O GLU A 24 -0.899 2.238 -7.500 1.00 10.62 O ATOM 376 CB GLU A 24 0.071 5.555 -7.529 1.00 19.24 C ATOM 377 CG GLU A 24 -0.828 5.402 -8.764 1.00 27.76 C ATOM 378 CD GLU A 24 -0.993 6.666 -9.537 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.026 7.289 -10.007 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.159 7.154 -9.696 1.00 36.51 O ATOM 0 H GLU A 24 1.599 5.349 -5.716 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.990 4.367 -6.125 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.215 6.457 -6.988 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.103 5.692 -7.853 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.408 4.638 -9.418 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.809 5.047 -8.448 1.00 27.76 H new ATOM 387 N ASN A 25 1.325 2.552 -7.622 1.00 9.43 N ATOM 388 CA ASN A 25 1.593 1.268 -8.245 1.00 10.96 C ATOM 389 C ASN A 25 1.361 0.096 -7.277 1.00 9.68 C ATOM 390 O ASN A 25 0.846 -0.955 -7.621 1.00 9.33 O ATOM 391 CB ASN A 25 3.080 1.282 -8.916 1.00 16.78 C ATOM 392 CG ASN A 25 3.531 -0.091 -9.501 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.745 -0.990 -9.761 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.816 -0.090 -9.972 1.00 24.70 N ATOM 0 H ASN A 25 2.165 3.107 -7.456 1.00 9.43 H new ATOM 0 HA ASN A 25 0.876 1.106 -9.050 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.100 2.027 -9.711 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.803 1.599 -8.164 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.144 -0.856 -10.560 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.445 0.677 -9.735 1.00 24.70 H new ATOM 401 N VAL A 26 1.733 0.252 -5.984 1.00 6.52 N ATOM 402 CA VAL A 26 1.452 -0.744 -4.938 1.00 5.53 C ATOM 403 C VAL A 26 -0.038 -1.075 -4.809 1.00 4.42 C ATOM 404 O VAL A 26 -0.550 -2.168 -4.671 1.00 3.40 O ATOM 405 CB VAL A 26 2.117 -0.319 -3.648 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.856 -1.405 -2.596 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.570 -0.146 -3.840 1.00 8.12 C ATOM 0 H VAL A 26 2.235 1.072 -5.644 1.00 6.52 H new ATOM 0 HA VAL A 26 1.892 -1.698 -5.229 1.00 5.53 H new ATOM 0 HB VAL A 26 1.706 0.637 -3.322 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.327 -1.121 -1.655 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.782 -1.515 -2.446 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.274 -2.352 -2.939 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.027 0.160 -2.899 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.009 -1.089 -4.167 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.749 0.619 -4.596 1.00 8.12 H new ATOM 417 N LYS A 27 -0.841 0.042 -4.820 1.00 2.64 N ATOM 418 CA LYS A 27 -2.299 0.014 -4.843 1.00 4.14 C ATOM 419 C LYS A 27 -2.931 -0.630 -6.103 1.00 5.58 C ATOM 420 O LYS A 27 -4.017 -1.237 -5.968 1.00 4.11 O ATOM 421 CB LYS A 27 -2.853 1.516 -4.755 1.00 3.97 C ATOM 422 CG LYS A 27 -2.562 2.158 -3.362 1.00 7.45 C ATOM 423 CD LYS A 27 -2.988 3.585 -3.250 1.00 9.02 C ATOM 424 CE LYS A 27 -2.884 4.187 -1.789 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.571 5.463 -1.700 1.00 15.47 N ATOM 0 H LYS A 27 -0.461 0.989 -4.813 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.581 -0.606 -3.992 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.393 2.120 -5.537 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.927 1.519 -4.940 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.069 1.577 -2.592 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.493 2.092 -3.159 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.377 4.187 -3.922 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.019 3.671 -3.593 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.315 3.488 -1.073 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.836 4.315 -1.519 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.087 6.071 -1.009 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.566 5.926 -2.631 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.553 5.308 -1.396 1.00 15.47 H new ATOM 439 N ALA A 28 -2.304 -0.513 -7.318 1.00 6.61 N ATOM 440 CA ALA A 28 -2.685 -1.150 -8.584 1.00 7.74 C ATOM 441 C ALA A 28 -2.613 -2.638 -8.424 1.00 9.17 C ATOM 442 O ALA A 28 -3.503 -3.374 -8.776 1.00 11.45 O ATOM 443 CB ALA A 28 -1.811 -0.692 -9.803 1.00 7.68 C ATOM 0 H ALA A 28 -1.472 0.067 -7.425 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.704 -0.835 -8.810 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.148 -1.203 -10.705 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.910 0.385 -9.937 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.766 -0.940 -9.615 1.00 7.68 H new ATOM 449 N LYS A 29 -1.572 -3.128 -7.762 1.00 8.96 N ATOM 450 CA LYS A 29 -1.395 -4.525 -7.464 1.00 7.90 C ATOM 451 C LYS A 29 -2.449 -5.099 -6.540 1.00 6.92 C ATOM 452 O LYS A 29 -2.943 -6.216 -6.738 1.00 6.87 O ATOM 453 CB LYS A 29 -0.017 -4.646 -6.786 1.00 10.28 C ATOM 454 CG LYS A 29 1.115 -4.311 -7.702 1.00 14.94 C ATOM 455 CD LYS A 29 2.465 -4.272 -6.974 1.00 19.69 C ATOM 456 CE LYS A 29 3.708 -4.106 -7.837 1.00 22.63 C ATOM 457 NZ LYS A 29 3.857 -5.414 -8.610 1.00 24.98 N ATOM 0 H LYS A 29 -0.814 -2.542 -7.413 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.478 -5.090 -8.392 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.015 -3.985 -5.920 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.111 -5.663 -6.415 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.159 -5.047 -8.505 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.928 -3.343 -8.167 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.439 -3.453 -6.255 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.569 -5.194 -6.403 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.602 -3.260 -8.517 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.587 -3.913 -7.223 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.684 -5.935 -8.255 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.002 -5.992 -8.482 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.986 -5.207 -9.621 1.00 24.98 H new ATOM 471 N ILE A 30 -2.926 -4.445 -5.500 1.00 4.57 N ATOM 472 CA ILE A 30 -4.011 -4.796 -4.556 1.00 5.58 C ATOM 473 C ILE A 30 -5.340 -4.686 -5.308 1.00 7.26 C ATOM 474 O ILE A 30 -6.329 -5.379 -5.050 1.00 9.46 O ATOM 475 CB ILE A 30 -4.059 -3.939 -3.296 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.785 -3.934 -2.422 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.255 -4.318 -2.406 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.357 -5.271 -1.844 1.00 2.00 C ATOM 0 H ILE A 30 -2.524 -3.541 -5.252 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.817 -5.809 -4.204 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.158 -2.929 -3.695 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.962 -3.541 -3.020 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.940 -3.239 -1.597 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.260 -3.689 -1.516 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.182 -4.171 -2.960 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.171 -5.364 -2.110 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.452 -5.138 -1.251 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.152 -5.665 -1.210 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.159 -5.972 -2.655 1.00 2.00 H new ATOM 490 N GLN A 31 -5.450 -3.805 -6.328 1.00 7.06 N ATOM 491 CA GLN A 31 -6.641 -3.714 -7.199 1.00 8.67 C ATOM 492 C GLN A 31 -6.742 -4.966 -8.020 1.00 10.90 C ATOM 493 O GLN A 31 -7.804 -5.541 -8.100 1.00 9.63 O ATOM 494 CB GLN A 31 -6.637 -2.436 -8.133 1.00 9.12 C ATOM 495 CG GLN A 31 -7.820 -2.337 -9.053 1.00 10.76 C ATOM 496 CD GLN A 31 -7.485 -1.305 -10.162 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.437 -0.652 -10.114 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.315 -1.172 -11.123 1.00 14.76 N ATOM 0 H GLN A 31 -4.716 -3.139 -6.569 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.513 -3.610 -6.554 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.603 -1.544 -7.508 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.726 -2.441 -8.731 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.042 -3.309 -9.493 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.707 -2.027 -8.500 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.172 -1.724 -11.137 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.121 -0.513 -11.877 1.00 14.76 H new ATOM 507 N ASP A 32 -5.624 -5.426 -8.553 1.00 10.93 N ATOM 508 CA ASP A 32 -5.506 -6.598 -9.425 1.00 14.01 C ATOM 509 C ASP A 32 -5.789 -7.911 -8.562 1.00 14.04 C ATOM 510 O ASP A 32 -6.559 -8.746 -9.009 1.00 13.39 O ATOM 511 CB ASP A 32 -4.078 -6.630 -10.066 1.00 18.01 C ATOM 512 CG ASP A 32 -3.852 -7.582 -11.203 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.481 -7.456 -12.295 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.135 -8.591 -11.034 1.00 25.17 O ATOM 0 H ASP A 32 -4.725 -4.975 -8.386 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.235 -6.550 -10.234 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.844 -5.625 -10.417 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.361 -6.868 -9.280 1.00 18.01 H new ATOM 519 N LYS A 33 -5.143 -7.990 -7.395 1.00 14.22 N ATOM 520 CA LYS A 33 -5.419 -9.152 -6.597 1.00 14.00 C ATOM 521 C LYS A 33 -6.802 -9.195 -5.861 1.00 12.37 C ATOM 522 O LYS A 33 -7.456 -10.232 -5.785 1.00 12.17 O ATOM 523 CB LYS A 33 -4.356 -9.442 -5.495 1.00 18.62 C ATOM 524 CG LYS A 33 -2.985 -9.710 -6.034 1.00 24.00 C ATOM 525 CD LYS A 33 -2.062 -10.154 -4.804 1.00 27.61 C ATOM 526 CE LYS A 33 -0.579 -10.564 -5.132 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.431 -11.706 -6.046 1.00 30.06 N ATOM 0 H LYS A 33 -4.479 -7.314 -7.017 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.409 -9.906 -7.384 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.309 -8.591 -4.815 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.680 -10.301 -4.908 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.017 -10.493 -6.791 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.581 -8.819 -6.514 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.035 -9.333 -4.088 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.543 -10.996 -4.306 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.069 -9.704 -5.566 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.069 -10.799 -4.198 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.579 -11.899 -6.200 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.884 -12.545 -5.630 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.884 -11.484 -6.956 1.00 30.06 H new ATOM 541 N GLU A 34 -7.286 -8.089 -5.297 1.00 10.11 N ATOM 542 CA GLU A 34 -8.329 -8.218 -4.316 1.00 10.07 C ATOM 543 C GLU A 34 -9.611 -7.669 -4.859 1.00 9.32 C ATOM 544 O GLU A 34 -10.633 -7.743 -4.215 1.00 11.61 O ATOM 545 CB GLU A 34 -7.954 -7.439 -3.030 1.00 14.77 C ATOM 546 CG GLU A 34 -6.859 -8.150 -2.181 1.00 18.75 C ATOM 547 CD GLU A 34 -7.215 -9.480 -1.626 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.308 -9.635 -0.983 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.487 -10.483 -1.893 1.00 25.19 O ATOM 0 H GLU A 34 -6.980 -7.137 -5.499 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.451 -9.275 -4.079 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.603 -6.444 -3.305 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.848 -7.305 -2.420 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.968 -8.265 -2.799 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.590 -7.495 -1.352 1.00 18.75 H new ATOM 556 N GLY A 35 -9.641 -7.077 -6.053 1.00 7.22 N ATOM 557 CA GLY A 35 -10.765 -6.291 -6.533 1.00 6.29 C ATOM 558 C GLY A 35 -11.204 -5.141 -5.733 1.00 6.93 C ATOM 559 O GLY A 35 -12.402 -4.913 -5.639 1.00 7.41 O ATOM 0 H GLY A 35 -8.871 -7.134 -6.720 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.514 -5.926 -7.529 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.616 -6.962 -6.645 1.00 6.29 H new ATOM 563 N ILE A 36 -10.241 -4.428 -5.121 1.00 5.86 N ATOM 564 CA ILE A 36 -10.418 -3.244 -4.277 1.00 6.07 C ATOM 565 C ILE A 36 -10.008 -1.964 -4.993 1.00 6.36 C ATOM 566 O ILE A 36 -8.805 -1.824 -5.318 1.00 6.18 O ATOM 567 CB ILE A 36 -9.713 -3.345 -2.914 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.377 -4.451 -2.123 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.833 -2.029 -2.219 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.617 -4.813 -0.818 1.00 9.49 C ATOM 0 H ILE A 36 -9.258 -4.684 -5.212 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.488 -3.202 -4.075 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.654 -3.579 -3.024 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.394 -4.149 -1.871 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.454 -5.340 -2.749 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.338 -2.083 -1.249 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.363 -1.254 -2.824 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.886 -1.788 -2.075 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.146 -5.612 -0.299 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.609 -5.145 -1.064 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.562 -3.936 -0.173 1.00 9.49 H new ATOM 582 N PRO A 37 -10.866 -1.046 -5.337 1.00 8.65 N ATOM 583 CA PRO A 37 -10.568 0.236 -5.962 1.00 9.18 C ATOM 584 C PRO A 37 -9.404 1.006 -5.283 1.00 9.85 C ATOM 585 O PRO A 37 -9.448 1.266 -4.083 1.00 8.51 O ATOM 586 CB PRO A 37 -11.918 0.981 -5.862 1.00 11.42 C ATOM 587 CG PRO A 37 -12.930 -0.153 -6.100 1.00 9.27 C ATOM 588 CD PRO A 37 -12.319 -1.315 -5.295 1.00 8.33 C ATOM 0 HA PRO A 37 -10.207 0.128 -6.985 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.053 1.450 -4.888 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.005 1.769 -6.610 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.926 0.109 -5.743 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.025 -0.397 -7.158 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.693 -1.333 -4.271 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.560 -2.280 -5.740 1.00 8.33 H new ATOM 596 N PRO A 38 -8.331 1.424 -6.034 1.00 8.71 N ATOM 597 CA PRO A 38 -7.168 2.137 -5.547 1.00 9.08 C ATOM 598 C PRO A 38 -7.511 3.537 -4.965 1.00 9.28 C ATOM 599 O PRO A 38 -6.709 4.054 -4.166 1.00 6.50 O ATOM 600 CB PRO A 38 -6.201 2.084 -6.702 1.00 10.31 C ATOM 601 CG PRO A 38 -7.077 2.134 -7.929 1.00 10.81 C ATOM 602 CD PRO A 38 -8.259 1.315 -7.521 1.00 12.00 C ATOM 0 HA PRO A 38 -6.707 1.686 -4.668 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.505 2.923 -6.676 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.603 1.173 -6.678 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.360 3.155 -8.183 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.576 1.715 -8.802 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.172 1.687 -7.986 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.143 0.277 -7.832 1.00 12.00 H new ATOM 610 N ASP A 39 -8.733 4.022 -5.290 1.00 11.20 N ATOM 611 CA ASP A 39 -9.528 5.163 -4.819 1.00 14.96 C ATOM 612 C ASP A 39 -9.929 5.033 -3.382 1.00 13.99 C ATOM 613 O ASP A 39 -9.926 5.997 -2.612 1.00 13.75 O ATOM 614 CB ASP A 39 -10.781 5.307 -5.656 1.00 24.16 C ATOM 615 CG ASP A 39 -10.409 5.371 -7.151 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.807 6.376 -7.596 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.756 4.420 -7.938 1.00 34.22 O ATOM 0 H ASP A 39 -9.262 3.531 -6.010 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.893 6.044 -4.917 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.449 4.465 -5.474 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.320 6.209 -5.367 1.00 24.16 H new ATOM 622 N GLN A 40 -10.264 3.832 -2.947 1.00 11.60 N ATOM 623 CA GLN A 40 -10.644 3.596 -1.573 1.00 10.76 C ATOM 624 C GLN A 40 -9.480 3.074 -0.716 1.00 8.01 C ATOM 625 O GLN A 40 -9.515 3.093 0.512 1.00 8.96 O ATOM 626 CB GLN A 40 -11.761 2.539 -1.541 1.00 11.14 C ATOM 627 CG GLN A 40 -12.989 3.210 -2.096 1.00 14.85 C ATOM 628 CD GLN A 40 -14.220 2.361 -1.923 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.733 1.829 -2.882 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.797 2.299 -0.681 1.00 18.16 N ATOM 0 H GLN A 40 -10.279 2.999 -3.535 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.969 4.551 -1.161 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.490 1.668 -2.138 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.935 2.187 -0.524 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.136 4.168 -1.597 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.840 3.421 -3.155 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.348 2.754 0.113 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.676 1.797 -0.551 1.00 18.16 H new ATOM 639 N GLN A 41 -8.345 2.780 -1.391 1.00 6.52 N ATOM 640 CA GLN A 41 -7.157 2.198 -0.673 1.00 3.87 C ATOM 641 C GLN A 41 -6.444 3.335 0.031 1.00 4.79 C ATOM 642 O GLN A 41 -5.863 4.235 -0.550 1.00 6.34 O ATOM 643 CB GLN A 41 -6.216 1.542 -1.675 1.00 4.20 C ATOM 644 CG GLN A 41 -6.853 0.192 -2.162 1.00 3.20 C ATOM 645 CD GLN A 41 -5.876 -0.430 -3.108 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.708 -0.232 -2.851 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.291 -0.973 -4.268 1.00 7.13 N ATOM 0 H GLN A 41 -8.214 2.924 -2.392 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.477 1.442 0.044 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.046 2.206 -2.523 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.245 1.357 -1.215 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.049 -0.470 -1.318 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.808 0.371 -2.655 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.287 -1.119 -4.435 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.610 -1.238 -4.979 1.00 7.13 H new ATOM 656 N ARG A 42 -6.400 3.283 1.358 1.00 5.73 N ATOM 657 CA ARG A 42 -5.493 4.082 2.137 1.00 6.97 C ATOM 658 C ARG A 42 -4.417 3.273 2.697 1.00 7.15 C ATOM 659 O ARG A 42 -4.710 2.289 3.411 1.00 7.33 O ATOM 660 CB ARG A 42 -6.241 4.732 3.286 1.00 13.23 C ATOM 661 CG ARG A 42 -5.447 5.730 4.188 1.00 21.27 C ATOM 662 CD ARG A 42 -6.211 6.252 5.437 1.00 26.14 C ATOM 663 NE ARG A 42 -7.199 7.221 4.785 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.444 7.517 5.319 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.675 7.319 6.587 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.306 8.098 4.454 1.00 36.39 N ATOM 0 H ARG A 42 -7.002 2.677 1.916 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.067 4.835 1.475 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.099 5.262 2.872 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.633 3.940 3.924 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.531 5.242 4.521 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.150 6.585 3.581 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.714 5.451 5.978 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.551 6.750 6.147 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.928 7.673 3.912 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.939 6.946 7.187 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.591 7.537 6.979 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.017 8.284 3.494 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.245 8.350 4.762 1.00 36.39 H new ATOM 680 N LEU A 43 -3.133 3.552 2.448 1.00 4.65 N ATOM 681 CA LEU A 43 -1.916 2.789 2.940 1.00 3.51 C ATOM 682 C LEU A 43 -1.127 3.402 4.025 1.00 5.56 C ATOM 683 O LEU A 43 -0.923 4.623 4.067 1.00 4.19 O ATOM 684 CB LEU A 43 -0.935 2.431 1.720 1.00 3.74 C ATOM 685 CG LEU A 43 -0.328 1.048 1.871 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.355 -0.103 1.972 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.512 0.795 0.596 1.00 6.41 C ATOM 0 H LEU A 43 -2.870 4.351 1.871 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.357 1.898 3.386 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.487 2.485 0.782 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.139 3.173 1.664 1.00 3.74 H new ATOM 0 HG LEU A 43 0.238 1.045 2.802 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.829 -1.052 2.077 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.995 0.055 2.840 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.966 -0.125 1.070 1.00 9.55 H new ATOM 0 HD21 LEU A 43 0.973 -0.191 0.654 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.134 0.843 -0.281 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.290 1.555 0.516 1.00 6.41 H new ATOM 699 N ILE A 44 -0.666 2.664 5.028 1.00 4.58 N ATOM 700 CA ILE A 44 0.009 3.117 6.222 1.00 5.55 C ATOM 701 C ILE A 44 1.348 2.362 6.462 1.00 5.46 C ATOM 702 O ILE A 44 1.384 1.162 6.179 1.00 6.04 O ATOM 703 CB ILE A 44 -0.765 2.912 7.563 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.185 3.430 7.529 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.074 3.302 8.799 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.343 4.804 7.969 1.00 13.90 C ATOM 0 H ILE A 44 -0.767 1.649 5.019 1.00 4.58 H new ATOM 0 HA ILE A 44 0.126 4.180 6.009 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.912 1.839 7.682 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.564 3.344 6.511 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.806 2.789 8.155 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.513 3.140 9.703 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.974 2.689 8.836 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.354 4.353 8.732 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.394 5.086 7.910 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.000 4.898 8.999 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.754 5.461 7.329 1.00 13.90 H new ATOM 718 N PHE A 45 2.450 3.051 6.852 1.00 6.75 N ATOM 719 CA PHE A 45 3.623 2.418 7.351 1.00 4.70 C ATOM 720 C PHE A 45 4.226 3.195 8.532 1.00 6.34 C ATOM 721 O PHE A 45 4.238 4.426 8.513 1.00 5.45 O ATOM 722 CB PHE A 45 4.712 2.249 6.161 1.00 5.51 C ATOM 723 CG PHE A 45 6.085 1.727 6.540 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.179 0.395 6.836 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.253 2.543 6.633 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.478 -0.196 7.190 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.446 2.025 7.018 1.00 6.64 C ATOM 728 CZ PHE A 45 8.644 0.638 7.349 1.00 6.84 C ATOM 0 H PHE A 45 2.516 4.068 6.815 1.00 6.75 H new ATOM 0 HA PHE A 45 3.343 1.431 7.719 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.291 1.578 5.412 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.841 3.220 5.682 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.295 -0.225 6.810 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.185 3.594 6.392 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.560 -1.263 7.332 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.295 2.690 7.080 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.593 0.252 7.690 1.00 6.84 H new ATOM 738 N ALA A 46 4.585 2.392 9.600 1.00 6.53 N ATOM 739 CA ALA A 46 5.311 2.760 10.779 1.00 7.15 C ATOM 740 C ALA A 46 4.681 3.955 11.514 1.00 9.00 C ATOM 741 O ALA A 46 5.398 4.795 12.017 1.00 11.15 O ATOM 742 CB ALA A 46 6.781 2.885 10.397 1.00 8.99 C ATOM 0 H ALA A 46 4.333 1.404 9.614 1.00 6.53 H new ATOM 0 HA ALA A 46 5.249 1.986 11.544 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.363 3.165 11.275 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.140 1.930 10.014 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.893 3.650 9.628 1.00 8.99 H new ATOM 748 N GLY A 47 3.398 4.089 11.607 1.00 9.35 N ATOM 749 CA GLY A 47 2.637 5.191 12.201 1.00 11.68 C ATOM 750 C GLY A 47 2.140 6.292 11.300 1.00 11.14 C ATOM 751 O GLY A 47 1.526 7.204 11.853 1.00 13.93 O ATOM 0 H GLY A 47 2.776 3.369 11.239 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.772 4.761 12.707 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.261 5.648 12.969 1.00 11.68 H new ATOM 755 N LYS A 48 2.304 6.267 9.941 1.00 10.47 N ATOM 756 CA LYS A 48 1.740 7.375 9.215 1.00 8.82 C ATOM 757 C LYS A 48 1.289 6.990 7.832 1.00 7.68 C ATOM 758 O LYS A 48 1.822 6.030 7.266 1.00 6.47 O ATOM 759 CB LYS A 48 2.701 8.559 9.008 1.00 9.74 C ATOM 760 CG LYS A 48 3.816 8.280 8.019 1.00 14.14 C ATOM 761 CD LYS A 48 4.866 9.381 7.994 1.00 16.32 C ATOM 762 CE LYS A 48 6.042 9.143 7.056 1.00 20.04 C ATOM 763 NZ LYS A 48 6.959 10.304 7.081 1.00 23.92 N ATOM 0 H LYS A 48 2.781 5.549 9.396 1.00 10.47 H new ATOM 0 HA LYS A 48 0.908 7.672 9.853 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.130 9.421 8.663 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.140 8.830 9.968 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.293 7.334 8.273 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.392 8.165 7.022 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.381 10.315 7.711 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.251 9.515 9.005 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.577 8.241 7.354 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.680 8.978 6.041 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.757 10.130 6.437 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.448 11.157 6.776 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.318 10.442 8.047 1.00 23.92 H new ATOM 777 N GLN A 49 0.349 7.679 7.185 1.00 8.89 N ATOM 778 CA GLN A 49 -0.053 7.554 5.820 1.00 7.18 C ATOM 779 C GLN A 49 1.007 7.661 4.744 1.00 8.23 C ATOM 780 O GLN A 49 2.072 8.300 4.848 1.00 9.70 O ATOM 781 CB GLN A 49 -1.222 8.573 5.447 1.00 11.67 C ATOM 782 CG GLN A 49 -2.389 8.494 6.436 1.00 15.82 C ATOM 783 CD GLN A 49 -3.654 9.074 5.911 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.879 9.308 4.706 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.631 9.235 6.835 1.00 20.67 N ATOM 0 H GLN A 49 -0.189 8.401 7.665 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.377 6.514 5.805 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.827 9.589 5.433 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.584 8.358 4.442 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.560 7.451 6.701 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.113 9.015 7.353 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.440 9.042 7.818 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.558 9.549 6.548 1.00 20.67 H new ATOM 794 N LEU A 50 0.827 7.022 3.547 1.00 6.51 N ATOM 795 CA LEU A 50 1.749 7.008 2.430 1.00 7.41 C ATOM 796 C LEU A 50 1.077 7.543 1.179 1.00 8.27 C ATOM 797 O LEU A 50 0.076 7.005 0.705 1.00 8.34 O ATOM 798 CB LEU A 50 2.430 5.642 2.211 1.00 7.13 C ATOM 799 CG LEU A 50 2.804 4.770 3.499 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.183 3.379 3.004 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.973 5.342 4.236 1.00 9.11 C ATOM 0 H LEU A 50 -0.017 6.483 3.354 1.00 6.51 H new ATOM 0 HA LEU A 50 2.569 7.681 2.681 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.775 5.041 1.580 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.347 5.813 1.647 1.00 7.13 H new ATOM 0 HG LEU A 50 1.953 4.754 4.180 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.446 2.750 3.854 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.338 2.939 2.474 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.036 3.453 2.329 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.195 4.721 5.104 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.841 5.369 3.577 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.736 6.354 4.565 1.00 9.11 H new ATOM 813 N GLU A 51 1.652 8.645 0.634 1.00 9.43 N ATOM 814 CA GLU A 51 1.043 9.409 -0.457 1.00 11.90 C ATOM 815 C GLU A 51 1.370 8.806 -1.749 1.00 11.49 C ATOM 816 O GLU A 51 2.485 8.372 -2.094 1.00 9.88 O ATOM 817 CB GLU A 51 1.516 10.914 -0.430 1.00 16.56 C ATOM 818 CG GLU A 51 0.904 11.725 0.736 1.00 26.06 C ATOM 819 CD GLU A 51 1.139 13.201 0.809 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.485 13.910 0.040 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.023 13.649 1.549 1.00 32.13 O ATOM 0 H GLU A 51 2.548 9.019 0.946 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.038 9.386 -0.318 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.603 10.945 -0.354 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.249 11.389 -1.374 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.174 11.566 0.714 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.271 11.289 1.665 1.00 26.06 H new ATOM 828 N ASP A 52 0.266 8.677 -2.580 1.00 12.71 N ATOM 829 CA ASP A 52 0.132 7.887 -3.784 1.00 16.56 C ATOM 830 C ASP A 52 1.286 8.154 -4.796 1.00 15.83 C ATOM 831 O ASP A 52 1.878 7.299 -5.412 1.00 17.21 O ATOM 832 CB ASP A 52 -1.215 8.253 -4.446 1.00 21.05 C ATOM 833 CG ASP A 52 -2.406 8.208 -3.534 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.654 9.241 -2.887 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.149 7.147 -3.527 1.00 28.37 O ATOM 0 H ASP A 52 -0.597 9.178 -2.372 1.00 12.71 H new ATOM 0 HA ASP A 52 0.175 6.832 -3.513 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.135 9.256 -4.865 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.389 7.572 -5.279 1.00 21.05 H new ATOM 840 N GLY A 53 1.614 9.431 -4.879 1.00 15.00 N ATOM 841 CA GLY A 53 2.601 9.944 -5.821 1.00 11.77 C ATOM 842 C GLY A 53 4.096 9.901 -5.386 1.00 11.10 C ATOM 843 O GLY A 53 5.001 10.327 -6.082 1.00 11.25 O ATOM 0 H GLY A 53 1.199 10.152 -4.289 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.504 9.382 -6.750 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.345 10.979 -6.047 1.00 11.77 H new ATOM 847 N ARG A 54 4.401 9.353 -4.239 1.00 8.53 N ATOM 848 CA ARG A 54 5.693 9.107 -3.696 1.00 9.05 C ATOM 849 C ARG A 54 6.035 7.589 -3.880 1.00 8.96 C ATOM 850 O ARG A 54 5.147 6.826 -4.290 1.00 11.60 O ATOM 851 CB ARG A 54 5.882 9.487 -2.225 1.00 7.97 C ATOM 852 CG ARG A 54 5.335 10.839 -1.764 1.00 9.62 C ATOM 853 CD ARG A 54 6.097 11.986 -2.368 1.00 12.20 C ATOM 854 NE ARG A 54 5.419 13.221 -2.073 1.00 18.23 N ATOM 855 CZ ARG A 54 5.818 14.401 -2.453 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.004 14.607 -3.039 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.976 15.441 -2.262 1.00 23.38 N ATOM 0 H ARG A 54 3.667 9.039 -3.604 1.00 8.53 H new ATOM 0 HA ARG A 54 6.369 9.761 -4.247 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.417 8.712 -1.616 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.950 9.465 -2.008 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.283 10.918 -2.038 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.387 10.900 -0.677 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.112 12.012 -1.971 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.180 11.853 -3.447 1.00 12.20 H new ATOM 0 HE ARG A 54 4.561 13.168 -1.525 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.635 13.822 -3.203 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.277 15.549 -3.321 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.064 15.286 -1.833 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.253 16.380 -2.547 1.00 23.38 H new ATOM 871 N THR A 55 7.255 7.167 -3.629 1.00 9.05 N ATOM 872 CA THR A 55 7.723 5.800 -3.742 1.00 9.03 C ATOM 873 C THR A 55 7.846 5.043 -2.457 1.00 8.15 C ATOM 874 O THR A 55 7.853 5.607 -1.339 1.00 5.91 O ATOM 875 CB THR A 55 9.071 5.647 -4.540 1.00 11.15 C ATOM 876 OG1 THR A 55 10.242 6.215 -3.866 1.00 11.95 O ATOM 877 CG2 THR A 55 8.942 6.450 -5.855 1.00 11.71 C ATOM 0 H THR A 55 7.990 7.804 -3.323 1.00 9.05 H new ATOM 0 HA THR A 55 6.909 5.350 -4.310 1.00 9.03 H new ATOM 0 HB THR A 55 9.221 4.575 -4.664 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.143 7.188 -3.802 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.865 6.360 -6.428 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.111 6.057 -6.441 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.759 7.499 -5.624 1.00 11.71 H new ATOM 885 N LEU A 56 7.966 3.714 -2.509 1.00 6.91 N ATOM 886 CA LEU A 56 8.430 2.918 -1.337 1.00 8.29 C ATOM 887 C LEU A 56 9.766 3.423 -0.745 1.00 8.05 C ATOM 888 O LEU A 56 9.884 3.485 0.457 1.00 10.17 O ATOM 889 CB LEU A 56 8.621 1.432 -1.752 1.00 6.60 C ATOM 890 CG LEU A 56 7.281 0.796 -2.147 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.360 -0.531 -2.789 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.308 0.807 -0.945 1.00 8.64 C ATOM 0 H LEU A 56 7.754 3.157 -3.337 1.00 6.91 H new ATOM 0 HA LEU A 56 7.660 3.027 -0.573 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.318 1.371 -2.588 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.064 0.874 -0.927 1.00 6.60 H new ATOM 0 HG LEU A 56 6.887 1.429 -2.942 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.355 -0.882 -3.024 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.942 -0.457 -3.707 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.841 -1.235 -2.110 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.362 0.353 -1.239 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.742 0.241 -0.121 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.134 1.835 -0.627 1.00 8.64 H new ATOM 904 N SER A 57 10.825 3.802 -1.515 1.00 8.92 N ATOM 905 CA SER A 57 12.082 4.358 -0.966 1.00 9.00 C ATOM 906 C SER A 57 11.988 5.585 -0.153 1.00 9.44 C ATOM 907 O SER A 57 12.737 5.701 0.769 1.00 10.91 O ATOM 908 CB SER A 57 13.034 4.566 -2.156 1.00 10.32 C ATOM 909 OG SER A 57 12.781 5.705 -2.954 1.00 13.59 O ATOM 0 H SER A 57 10.825 3.728 -2.532 1.00 8.92 H new ATOM 0 HA SER A 57 12.443 3.632 -0.238 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.053 4.632 -1.775 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.988 3.682 -2.792 1.00 10.32 H new ATOM 0 HG SER A 57 11.834 5.725 -3.205 1.00 13.59 H new ATOM 915 N ASP A 58 11.102 6.558 -0.563 1.00 9.11 N ATOM 916 CA ASP A 58 10.946 7.853 0.129 1.00 7.91 C ATOM 917 C ASP A 58 10.576 7.658 1.602 1.00 9.12 C ATOM 918 O ASP A 58 10.895 8.452 2.498 1.00 8.61 O ATOM 919 CB ASP A 58 9.910 8.740 -0.535 1.00 8.41 C ATOM 920 CG ASP A 58 10.281 8.887 -1.966 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.450 9.275 -2.189 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.487 8.487 -2.884 1.00 11.70 O ATOM 0 H ASP A 58 10.492 6.451 -1.374 1.00 9.11 H new ATOM 0 HA ASP A 58 11.914 8.349 0.063 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.917 8.301 -0.442 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.875 9.715 -0.048 1.00 8.41 H new ATOM 927 N TYR A 59 9.758 6.616 1.908 1.00 7.97 N ATOM 928 CA TYR A 59 9.230 6.221 3.218 1.00 8.45 C ATOM 929 C TYR A 59 9.990 5.136 3.931 1.00 10.98 C ATOM 930 O TYR A 59 9.690 4.741 5.057 1.00 12.95 O ATOM 931 CB TYR A 59 7.821 5.691 3.062 1.00 7.94 C ATOM 932 CG TYR A 59 6.831 6.785 2.697 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.711 7.913 3.580 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.173 6.812 1.489 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.887 8.969 3.213 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.316 7.861 1.127 1.00 6.52 C ATOM 937 CZ TYR A 59 5.260 8.933 1.961 1.00 6.76 C ATOM 938 OH TYR A 59 4.398 9.970 1.620 1.00 7.63 O ATOM 0 H TYR A 59 9.431 5.986 1.176 1.00 7.97 H new ATOM 0 HA TYR A 59 9.305 7.132 3.811 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.808 4.920 2.291 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.508 5.217 3.992 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.253 7.939 4.514 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.322 5.997 0.796 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.732 9.803 3.881 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.725 7.819 0.224 1.00 6.52 H new ATOM 0 HH TYR A 59 4.914 10.790 1.475 1.00 7.63 H new ATOM 948 N ASN A 60 11.045 4.760 3.200 1.00 12.38 N ATOM 949 CA ASN A 60 12.076 3.793 3.621 1.00 13.94 C ATOM 950 C ASN A 60 11.573 2.409 3.918 1.00 14.16 C ATOM 951 O ASN A 60 11.892 1.742 4.883 1.00 14.26 O ATOM 952 CB ASN A 60 12.843 4.295 4.898 1.00 19.23 C ATOM 953 CG ASN A 60 13.615 5.582 4.584 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.389 6.620 5.206 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.529 5.581 3.561 1.00 24.09 N ATOM 0 H ASN A 60 11.214 5.131 2.265 1.00 12.38 H new ATOM 0 HA ASN A 60 12.731 3.729 2.752 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.136 4.475 5.708 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.532 3.524 5.243 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.021 6.440 3.316 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.716 4.721 3.045 1.00 24.09 H new ATOM 962 N ILE A 61 10.802 1.900 2.971 1.00 11.08 N ATOM 963 CA ILE A 61 10.192 0.609 3.028 1.00 11.78 C ATOM 964 C ILE A 61 11.167 -0.429 2.431 1.00 13.74 C ATOM 965 O ILE A 61 11.831 -0.225 1.430 1.00 14.60 O ATOM 966 CB ILE A 61 8.875 0.668 2.327 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.853 1.518 3.147 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.285 -0.732 2.149 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.663 1.970 2.338 1.00 11.42 C ATOM 0 H ILE A 61 10.584 2.406 2.113 1.00 11.08 H new ATOM 0 HA ILE A 61 9.990 0.299 4.053 1.00 11.78 H new ATOM 0 HB ILE A 61 9.050 1.124 1.352 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.503 0.932 3.997 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.362 2.393 3.551 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.326 -0.660 1.636 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.968 -1.342 1.558 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.140 -1.193 3.126 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.995 2.555 2.970 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.002 2.583 1.503 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.131 1.099 1.956 1.00 11.42 H new ATOM 981 N GLN A 62 11.376 -1.543 3.141 1.00 13.97 N ATOM 982 CA GLN A 62 12.435 -2.530 2.820 1.00 15.52 C ATOM 983 C GLN A 62 11.811 -3.913 2.631 1.00 13.94 C ATOM 984 O GLN A 62 10.652 -4.153 3.085 1.00 12.15 O ATOM 985 CB GLN A 62 13.492 -2.556 3.969 1.00 19.53 C ATOM 986 CG GLN A 62 14.360 -1.213 4.156 1.00 26.38 C ATOM 987 CD GLN A 62 15.435 -1.076 3.118 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.635 -2.018 2.351 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.176 0.072 3.052 1.00 32.71 N ATOM 0 H GLN A 62 10.819 -1.794 3.958 1.00 13.97 H new ATOM 0 HA GLN A 62 12.933 -2.244 1.893 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.976 -2.766 4.906 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.176 -3.385 3.789 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.699 -0.347 4.107 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.814 -1.212 5.147 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.989 0.837 3.700 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.915 0.163 2.355 1.00 32.71 H new ATOM 998 N LYS A 63 12.561 -4.886 2.086 1.00 11.73 N ATOM 999 CA LYS A 63 12.161 -6.247 2.071 1.00 11.97 C ATOM 1000 C LYS A 63 11.638 -6.793 3.447 1.00 10.41 C ATOM 1001 O LYS A 63 12.202 -6.674 4.524 1.00 9.59 O ATOM 1002 CB LYS A 63 13.264 -7.152 1.411 1.00 13.73 C ATOM 1003 CG LYS A 63 14.333 -7.417 2.369 1.00 16.98 C ATOM 1004 CD LYS A 63 15.413 -8.130 1.590 1.00 20.19 C ATOM 1005 CE LYS A 63 16.582 -8.511 2.481 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.510 -9.409 1.805 1.00 25.97 N ATOM 0 H LYS A 63 13.466 -4.717 1.647 1.00 11.73 H new ATOM 0 HA LYS A 63 11.277 -6.296 1.436 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.823 -8.091 1.077 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.670 -6.659 0.528 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.710 -6.490 2.802 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.975 -8.032 3.195 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.999 -9.026 1.128 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.764 -7.488 0.782 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.110 -7.610 2.792 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.208 -8.990 3.386 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.294 -9.645 2.446 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.012 -10.280 1.530 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.887 -8.943 0.955 1.00 25.97 H new ATOM 1020 N GLU A 64 10.460 -7.463 3.294 1.00 10.04 N ATOM 1021 CA GLU A 64 9.644 -8.188 4.295 1.00 10.94 C ATOM 1022 C GLU A 64 8.781 -7.306 5.134 1.00 9.74 C ATOM 1023 O GLU A 64 8.158 -7.686 6.144 1.00 9.42 O ATOM 1024 CB GLU A 64 10.526 -9.153 5.153 1.00 18.31 C ATOM 1025 CG GLU A 64 11.381 -10.186 4.306 1.00 24.16 C ATOM 1026 CD GLU A 64 12.140 -11.104 5.296 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.123 -10.690 5.966 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.785 -12.300 5.260 1.00 32.61 O ATOM 0 H GLU A 64 10.021 -7.509 2.374 1.00 10.04 H new ATOM 0 HA GLU A 64 8.941 -8.795 3.725 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.202 -8.558 5.767 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.880 -9.707 5.834 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.733 -10.777 3.659 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.083 -9.660 3.659 1.00 24.16 H new ATOM 1035 N SER A 65 8.728 -6.035 4.738 1.00 6.85 N ATOM 1036 CA SER A 65 8.065 -5.044 5.490 1.00 6.90 C ATOM 1037 C SER A 65 6.550 -5.255 5.472 1.00 4.72 C ATOM 1038 O SER A 65 5.998 -5.735 4.449 1.00 3.91 O ATOM 1039 CB SER A 65 8.328 -3.597 5.092 1.00 7.28 C ATOM 1040 OG SER A 65 9.754 -3.288 5.249 1.00 10.56 O ATOM 0 H SER A 65 9.155 -5.691 3.878 1.00 6.85 H new ATOM 0 HA SER A 65 8.493 -5.178 6.483 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.023 -3.434 4.058 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.731 -2.926 5.710 1.00 7.28 H new ATOM 0 HG SER A 65 10.283 -3.887 4.682 1.00 10.56 H new ATOM 1046 N THR A 66 5.852 -4.890 6.573 1.00 4.48 N ATOM 1047 CA THR A 66 4.426 -5.029 6.637 1.00 3.80 C ATOM 1048 C THR A 66 3.829 -3.636 6.516 1.00 4.60 C ATOM 1049 O THR A 66 4.219 -2.754 7.278 1.00 5.33 O ATOM 1050 CB THR A 66 3.911 -5.417 7.990 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.413 -6.646 8.389 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.401 -5.670 7.939 1.00 3.40 C ATOM 0 H THR A 66 6.277 -4.500 7.415 1.00 4.48 H new ATOM 0 HA THR A 66 4.174 -5.767 5.875 1.00 3.80 H new ATOM 0 HB THR A 66 4.198 -4.603 8.655 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.061 -6.871 9.275 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.045 -5.951 8.930 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.891 -4.763 7.614 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.191 -6.476 7.237 1.00 3.40 H new ATOM 1060 N LEU A 67 2.902 -3.391 5.526 1.00 4.17 N ATOM 1061 CA LEU A 67 2.343 -2.075 5.306 1.00 3.85 C ATOM 1062 C LEU A 67 0.849 -2.218 5.544 1.00 3.80 C ATOM 1063 O LEU A 67 0.229 -3.254 5.242 1.00 5.54 O ATOM 1064 CB LEU A 67 2.461 -1.668 3.811 1.00 7.18 C ATOM 1065 CG LEU A 67 3.897 -1.368 3.237 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.848 -2.605 3.247 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.803 -0.951 1.821 1.00 11.66 C ATOM 0 H LEU A 67 2.550 -4.106 4.890 1.00 4.17 H new ATOM 0 HA LEU A 67 2.851 -1.351 5.943 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.022 -2.466 3.212 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.848 -0.780 3.657 1.00 7.18 H new ATOM 0 HG LEU A 67 4.302 -0.592 3.886 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.818 -2.322 2.837 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.975 -2.958 4.270 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.416 -3.401 2.640 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.802 -0.746 1.435 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.344 -1.749 1.236 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.194 -0.050 1.747 1.00 11.66 H new ATOM 1079 N HIS A 68 0.186 -1.197 6.152 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.161 -1.427 6.692 1.00 4.17 C ATOM 1081 C HIS A 68 -2.078 -0.784 5.729 1.00 5.32 C ATOM 1082 O HIS A 68 -1.816 0.275 5.178 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.363 -1.034 8.167 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.369 -1.663 9.158 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.946 -1.259 9.239 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.543 -2.589 10.135 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.524 -1.982 10.203 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.646 -2.859 10.730 1.00 16.30 N ATOM 0 H HIS A 68 0.550 -0.252 6.272 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.369 -2.494 6.770 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.295 0.051 8.249 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.374 -1.314 8.465 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.487 -3.043 10.399 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.552 -1.878 10.517 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.836 -3.576 11.430 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.278 -1.397 5.495 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.283 -0.967 4.520 1.00 3.97 C ATOM 1098 C LEU A 69 -5.624 -0.596 5.239 1.00 5.07 C ATOM 1099 O LEU A 69 -6.042 -1.277 6.124 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.508 -2.214 3.534 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.542 -1.799 2.441 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.929 -0.729 1.487 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.925 -3.106 1.666 1.00 9.96 C ATOM 0 H LEU A 69 -3.564 -2.231 6.007 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.953 -0.081 3.977 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.565 -2.507 3.072 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.872 -3.077 4.091 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.429 -1.347 2.885 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.664 -0.452 0.731 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.649 0.154 2.062 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.045 -1.140 1.000 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.649 -2.868 0.887 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.032 -3.535 1.212 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.361 -3.826 2.359 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.303 0.473 4.824 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.546 0.987 5.472 1.00 6.26 C ATOM 1117 C VAL A 70 -8.414 1.387 4.331 1.00 9.22 C ATOM 1118 O VAL A 70 -7.905 1.946 3.339 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.392 2.228 6.356 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.695 2.734 6.970 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.221 1.981 7.308 1.00 8.54 C ATOM 0 H VAL A 70 -6.014 1.026 4.017 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.918 0.206 6.135 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.137 3.097 5.749 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.492 3.614 7.580 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.394 2.996 6.176 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.131 1.953 7.594 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.086 2.850 7.952 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.429 1.104 7.921 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.312 1.813 6.731 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.713 1.116 4.365 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.459 1.379 3.179 1.00 16.06 C ATOM 1133 C LEU A 71 -11.401 2.485 3.496 1.00 18.09 C ATOM 1134 O LEU A 71 -12.286 2.338 4.342 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.158 0.094 2.621 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.233 -1.050 1.984 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.123 -0.535 1.085 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.778 -2.064 3.001 1.00 19.57 C ATOM 0 H LEU A 71 -10.232 0.737 5.157 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.802 1.688 2.366 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.731 -0.354 3.433 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.874 0.407 1.861 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.884 -1.592 1.298 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.548 -1.376 0.698 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.557 0.021 0.254 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -8.466 0.121 1.657 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.155 -2.814 2.513 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.202 -1.565 3.780 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.647 -2.548 3.446 1.00 19.57 H new