USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 799 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 81 SER OG : rot -175:sc= 1.19 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 ASN : amide:sc= 0.653 K(o=2.8,f=-8.9!) USER MOD Set 2.2: A 70 LYS NZ :NH3+ -159:sc= 2.12 (180deg=0.689) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.235 (180deg=-0.111) USER MOD Single : A 2 SER OG : rot 122:sc= 1.63 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0635 X(o=-0.063,f=-0.066) USER MOD Single : A 19 CYS SG : rot 93:sc= 0.551 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= 1.25 (180deg=-0.612) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 150:sc= 0 USER MOD Single : A 34 SER OG : rot 54:sc= 1.26 USER MOD Single : A 37 SER OG : rot 85:sc= 0.0158 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 151:sc= -0.0281 (180deg=-0.727) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 42 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.27) USER MOD Single : A 43 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.25) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0158) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.348! X(o=-0.35!,f=-0.12) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -170:sc= 1.22 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 72:sc= 0.923 USER MOD Single : A 87 MET CE :methyl -135:sc= -2.42 (180deg=-6.67!) USER MOD Single : A 92 ASN : amide:sc= 1.01 K(o=1,f=-0.095) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0543 K(o=-0.054,f=-1.9!) USER MOD Single : A 106 MET CE :methyl -159:sc= -0.201 (180deg=-0.748) USER MOD Single : A 108 HIS : no HD1:sc= -0.294 K(o=-0.29,f=-1) USER MOD Single : A 109 SER OG : rot -13:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.495 8.110 3.703 1.00 5.65 N ATOM 2 CA MET A 1 -17.698 7.657 2.552 1.00 4.28 C ATOM 3 C MET A 1 -16.589 6.766 3.086 1.00 3.15 C ATOM 4 O MET A 1 -16.552 6.530 4.291 1.00 3.20 O ATOM 5 CB MET A 1 -17.137 8.845 1.752 1.00 5.63 C ATOM 6 CG MET A 1 -18.242 9.681 1.098 1.00 6.72 C ATOM 7 SD MET A 1 -19.231 8.756 -0.100 1.00 7.29 S ATOM 8 CE MET A 1 -20.451 10.003 -0.559 1.00 8.45 C ATOM 0 H1 MET A 1 -19.489 7.837 3.566 1.00 5.65 H new ATOM 0 H2 MET A 1 -18.132 7.669 4.572 1.00 5.65 H new ATOM 0 H3 MET A 1 -18.428 9.145 3.786 1.00 5.65 H new ATOM 0 HA MET A 1 -18.324 7.098 1.857 1.00 4.28 H new ATOM 0 HB2 MET A 1 -16.548 9.480 2.414 1.00 5.63 H new ATOM 0 HB3 MET A 1 -16.461 8.474 0.981 1.00 5.63 H new ATOM 0 HG2 MET A 1 -18.899 10.072 1.875 1.00 6.72 H new ATOM 0 HG3 MET A 1 -17.791 10.539 0.600 1.00 6.72 H new ATOM 0 HE1 MET A 1 -21.138 9.586 -1.295 1.00 8.45 H new ATOM 0 HE2 MET A 1 -21.009 10.309 0.326 1.00 8.45 H new ATOM 0 HE3 MET A 1 -19.944 10.868 -0.985 1.00 8.45 H new ATOM 20 N SER A 2 -15.719 6.282 2.206 1.00 2.38 N ATOM 21 CA SER A 2 -14.459 5.654 2.545 1.00 1.64 C ATOM 22 C SER A 2 -13.612 5.731 1.277 1.00 1.15 C ATOM 23 O SER A 2 -14.047 6.317 0.288 1.00 1.55 O ATOM 24 CB SER A 2 -14.666 4.212 3.033 1.00 2.11 C ATOM 25 OG SER A 2 -13.424 3.627 3.384 1.00 2.27 O ATOM 0 H SER A 2 -15.884 6.321 1.200 1.00 2.38 H new ATOM 0 HA SER A 2 -13.960 6.158 3.373 1.00 1.64 H new ATOM 0 HB2 SER A 2 -15.335 4.205 3.894 1.00 2.11 H new ATOM 0 HB3 SER A 2 -15.145 3.622 2.252 1.00 2.11 H new ATOM 0 HG SER A 2 -13.453 3.334 4.319 1.00 2.27 H new ATOM 31 N ILE A 3 -12.438 5.108 1.300 1.00 0.84 N ATOM 32 CA ILE A 3 -11.436 5.119 0.238 1.00 0.59 C ATOM 33 C ILE A 3 -12.042 4.923 -1.154 1.00 0.80 C ATOM 34 O ILE A 3 -11.646 5.573 -2.123 1.00 0.94 O ATOM 35 CB ILE A 3 -10.367 4.060 0.559 1.00 0.93 C ATOM 36 CG1 ILE A 3 -10.930 2.661 0.885 1.00 1.94 C ATOM 37 CG2 ILE A 3 -9.592 4.544 1.784 1.00 0.65 C ATOM 38 CD1 ILE A 3 -9.924 1.581 0.501 1.00 2.73 C ATOM 0 H ILE A 3 -12.144 4.552 2.103 1.00 0.84 H new ATOM 0 HA ILE A 3 -10.972 6.105 0.206 1.00 0.59 H new ATOM 0 HB ILE A 3 -9.753 3.951 -0.335 1.00 0.93 H new ATOM 0 HG12 ILE A 3 -11.158 2.593 1.949 1.00 1.94 H new ATOM 0 HG13 ILE A 3 -11.865 2.504 0.347 1.00 1.94 H new ATOM 0 HG21 ILE A 3 -8.824 3.815 2.040 1.00 0.65 H new ATOM 0 HG22 ILE A 3 -9.123 5.503 1.562 1.00 0.65 H new ATOM 0 HG23 ILE A 3 -10.276 4.661 2.625 1.00 0.65 H new ATOM 0 HD11 ILE A 3 -10.336 0.600 0.737 1.00 2.73 H new ATOM 0 HD12 ILE A 3 -9.717 1.640 -0.568 1.00 2.73 H new ATOM 0 HD13 ILE A 3 -8.999 1.730 1.059 1.00 2.73 H new ATOM 50 N THR A 4 -13.038 4.042 -1.212 1.00 1.04 N ATOM 51 CA THR A 4 -13.836 3.653 -2.327 1.00 1.45 C ATOM 52 C THR A 4 -14.445 4.832 -3.090 1.00 1.13 C ATOM 53 O THR A 4 -14.715 4.669 -4.277 1.00 1.51 O ATOM 54 CB THR A 4 -14.891 2.678 -1.774 1.00 2.04 C ATOM 55 OG1 THR A 4 -15.471 2.061 -2.872 1.00 2.20 O ATOM 56 CG2 THR A 4 -15.983 3.346 -0.932 1.00 2.48 C ATOM 0 H THR A 4 -13.321 3.537 -0.372 1.00 1.04 H new ATOM 0 HA THR A 4 -13.219 3.170 -3.085 1.00 1.45 H new ATOM 0 HB THR A 4 -14.393 1.980 -1.101 1.00 2.04 H new ATOM 0 HG1 THR A 4 -16.153 1.426 -2.568 1.00 2.20 H new ATOM 0 HG21 THR A 4 -16.685 2.590 -0.581 1.00 2.48 H new ATOM 0 HG22 THR A 4 -15.528 3.844 -0.076 1.00 2.48 H new ATOM 0 HG23 THR A 4 -16.513 4.080 -1.539 1.00 2.48 H new ATOM 64 N ASP A 5 -14.691 5.968 -2.428 1.00 0.94 N ATOM 65 CA ASP A 5 -15.291 7.145 -3.040 1.00 0.96 C ATOM 66 C ASP A 5 -14.845 8.420 -2.308 1.00 0.98 C ATOM 67 O ASP A 5 -15.657 9.224 -1.859 1.00 1.64 O ATOM 68 CB ASP A 5 -16.820 6.983 -3.073 1.00 1.51 C ATOM 69 CG ASP A 5 -17.489 8.034 -3.950 1.00 2.25 C ATOM 70 OD1 ASP A 5 -16.937 8.298 -5.040 1.00 3.56 O ATOM 71 OD2 ASP A 5 -18.564 8.523 -3.539 1.00 2.54 O ATOM 0 H ASP A 5 -14.474 6.091 -1.439 1.00 0.94 H new ATOM 0 HA ASP A 5 -14.948 7.244 -4.070 1.00 0.96 H new ATOM 0 HB2 ASP A 5 -17.071 5.989 -3.444 1.00 1.51 H new ATOM 0 HB3 ASP A 5 -17.214 7.054 -2.059 1.00 1.51 H new ATOM 76 N VAL A 6 -13.526 8.575 -2.149 1.00 0.53 N ATOM 77 CA VAL A 6 -12.881 9.749 -1.561 1.00 0.51 C ATOM 78 C VAL A 6 -11.954 10.396 -2.592 1.00 0.43 C ATOM 79 O VAL A 6 -12.067 11.582 -2.891 1.00 0.46 O ATOM 80 CB VAL A 6 -12.136 9.311 -0.284 1.00 0.64 C ATOM 81 CG1 VAL A 6 -11.004 10.252 0.149 1.00 1.15 C ATOM 82 CG2 VAL A 6 -13.152 9.221 0.857 1.00 1.60 C ATOM 0 H VAL A 6 -12.857 7.861 -2.437 1.00 0.53 H new ATOM 0 HA VAL A 6 -13.617 10.502 -1.280 1.00 0.51 H new ATOM 0 HB VAL A 6 -11.668 8.353 -0.512 1.00 0.64 H new ATOM 0 HG11 VAL A 6 -10.536 9.866 1.055 1.00 1.15 H new ATOM 0 HG12 VAL A 6 -10.260 10.315 -0.645 1.00 1.15 H new ATOM 0 HG13 VAL A 6 -11.411 11.244 0.345 1.00 1.15 H new ATOM 0 HG21 VAL A 6 -12.646 8.912 1.772 1.00 1.60 H new ATOM 0 HG22 VAL A 6 -13.615 10.196 1.010 1.00 1.60 H new ATOM 0 HG23 VAL A 6 -13.920 8.491 0.603 1.00 1.60 H new ATOM 92 N LEU A 7 -11.015 9.606 -3.108 1.00 0.46 N ATOM 93 CA LEU A 7 -9.987 10.018 -4.055 1.00 0.53 C ATOM 94 C LEU A 7 -9.368 8.730 -4.577 1.00 0.57 C ATOM 95 O LEU A 7 -9.337 8.467 -5.775 1.00 0.62 O ATOM 96 CB LEU A 7 -8.921 10.877 -3.346 1.00 0.66 C ATOM 97 CG LEU A 7 -7.718 11.230 -4.247 1.00 0.72 C ATOM 98 CD1 LEU A 7 -7.887 12.624 -4.862 1.00 0.88 C ATOM 99 CD2 LEU A 7 -6.416 11.171 -3.440 1.00 1.09 C ATOM 0 H LEU A 7 -10.949 8.618 -2.865 1.00 0.46 H new ATOM 0 HA LEU A 7 -10.401 10.621 -4.863 1.00 0.53 H new ATOM 0 HB2 LEU A 7 -9.384 11.799 -2.993 1.00 0.66 H new ATOM 0 HB3 LEU A 7 -8.562 10.344 -2.466 1.00 0.66 H new ATOM 0 HG LEU A 7 -7.672 10.499 -5.054 1.00 0.72 H new ATOM 0 HD11 LEU A 7 -7.027 12.850 -5.493 1.00 0.88 H new ATOM 0 HD12 LEU A 7 -8.795 12.648 -5.464 1.00 0.88 H new ATOM 0 HD13 LEU A 7 -7.959 13.366 -4.067 1.00 0.88 H new ATOM 0 HD21 LEU A 7 -5.575 11.422 -4.087 1.00 1.09 H new ATOM 0 HD22 LEU A 7 -6.466 11.884 -2.617 1.00 1.09 H new ATOM 0 HD23 LEU A 7 -6.280 10.165 -3.042 1.00 1.09 H new ATOM 111 N SER A 8 -8.888 7.924 -3.628 1.00 0.63 N ATOM 112 CA SER A 8 -8.031 6.791 -3.873 1.00 0.68 C ATOM 113 C SER A 8 -8.545 5.811 -4.931 1.00 0.68 C ATOM 114 O SER A 8 -7.758 5.174 -5.619 1.00 0.65 O ATOM 115 CB SER A 8 -7.739 6.130 -2.527 1.00 0.76 C ATOM 116 OG SER A 8 -7.051 7.064 -1.721 1.00 1.03 O ATOM 0 H SER A 8 -9.100 8.057 -2.639 1.00 0.63 H new ATOM 0 HA SER A 8 -7.106 7.150 -4.324 1.00 0.68 H new ATOM 0 HB2 SER A 8 -8.667 5.821 -2.045 1.00 0.76 H new ATOM 0 HB3 SER A 8 -7.138 5.231 -2.666 1.00 0.76 H new ATOM 0 HG SER A 8 -6.854 6.661 -0.849 1.00 1.03 H new ATOM 122 N ALA A 9 -9.862 5.695 -5.103 1.00 0.71 N ATOM 123 CA ALA A 9 -10.427 4.898 -6.185 1.00 0.76 C ATOM 124 C ALA A 9 -9.806 5.246 -7.547 1.00 0.73 C ATOM 125 O ALA A 9 -9.470 4.357 -8.328 1.00 0.74 O ATOM 126 CB ALA A 9 -11.946 5.073 -6.189 1.00 0.89 C ATOM 0 H ALA A 9 -10.555 6.144 -4.505 1.00 0.71 H new ATOM 0 HA ALA A 9 -10.188 3.849 -6.012 1.00 0.76 H new ATOM 0 HB1 ALA A 9 -12.378 4.480 -6.995 1.00 0.89 H new ATOM 0 HB2 ALA A 9 -12.353 4.739 -5.235 1.00 0.89 H new ATOM 0 HB3 ALA A 9 -12.191 6.124 -6.340 1.00 0.89 H new ATOM 132 N ASP A 10 -9.620 6.539 -7.823 1.00 0.72 N ATOM 133 CA ASP A 10 -8.968 6.987 -9.047 1.00 0.73 C ATOM 134 C ASP A 10 -7.477 6.625 -9.024 1.00 0.73 C ATOM 135 O ASP A 10 -6.900 6.207 -10.031 1.00 0.70 O ATOM 136 CB ASP A 10 -9.176 8.497 -9.194 1.00 0.75 C ATOM 137 CG ASP A 10 -8.618 9.003 -10.516 1.00 0.84 C ATOM 138 OD1 ASP A 10 -9.176 8.594 -11.557 1.00 1.58 O ATOM 139 OD2 ASP A 10 -7.663 9.806 -10.459 1.00 2.07 O ATOM 0 H ASP A 10 -9.916 7.296 -7.207 1.00 0.72 H new ATOM 0 HA ASP A 10 -9.409 6.485 -9.908 1.00 0.73 H new ATOM 0 HB2 ASP A 10 -10.240 8.728 -9.133 1.00 0.75 H new ATOM 0 HB3 ASP A 10 -8.689 9.016 -8.368 1.00 0.75 H new ATOM 144 N ASP A 11 -6.858 6.741 -7.845 1.00 0.77 N ATOM 145 CA ASP A 11 -5.448 6.438 -7.659 1.00 0.83 C ATOM 146 C ASP A 11 -5.179 4.992 -8.044 1.00 0.67 C ATOM 147 O ASP A 11 -4.280 4.708 -8.840 1.00 0.59 O ATOM 148 CB ASP A 11 -4.976 6.803 -6.240 1.00 0.95 C ATOM 149 CG ASP A 11 -4.797 5.652 -5.230 1.00 3.41 C ATOM 150 OD1 ASP A 11 -4.076 4.679 -5.543 1.00 4.94 O ATOM 151 OD2 ASP A 11 -5.309 5.782 -4.101 1.00 4.33 O ATOM 0 H ASP A 11 -7.328 7.049 -6.994 1.00 0.77 H new ATOM 0 HA ASP A 11 -4.850 7.060 -8.324 1.00 0.83 H new ATOM 0 HB2 ASP A 11 -4.023 7.325 -6.327 1.00 0.95 H new ATOM 0 HB3 ASP A 11 -5.690 7.511 -5.820 1.00 0.95 H new ATOM 156 N ILE A 12 -5.996 4.075 -7.517 1.00 0.65 N ATOM 157 CA ILE A 12 -5.774 2.684 -7.768 1.00 0.62 C ATOM 158 C ILE A 12 -5.979 2.402 -9.248 1.00 0.57 C ATOM 159 O ILE A 12 -5.197 1.660 -9.826 1.00 0.55 O ATOM 160 CB ILE A 12 -6.578 1.786 -6.830 1.00 0.71 C ATOM 161 CG1 ILE A 12 -8.100 1.921 -6.932 1.00 0.74 C ATOM 162 CG2 ILE A 12 -6.091 1.966 -5.384 1.00 0.79 C ATOM 163 CD1 ILE A 12 -8.812 0.646 -6.478 1.00 1.11 C ATOM 0 H ILE A 12 -6.800 4.285 -6.925 1.00 0.65 H new ATOM 0 HA ILE A 12 -4.739 2.432 -7.535 1.00 0.62 H new ATOM 0 HB ILE A 12 -6.385 0.767 -7.165 1.00 0.71 H new ATOM 0 HG12 ILE A 12 -8.433 2.761 -6.322 1.00 0.74 H new ATOM 0 HG13 ILE A 12 -8.377 2.146 -7.962 1.00 0.74 H new ATOM 0 HG21 ILE A 12 -6.670 1.322 -4.722 1.00 0.79 H new ATOM 0 HG22 ILE A 12 -5.036 1.699 -5.319 1.00 0.79 H new ATOM 0 HG23 ILE A 12 -6.221 3.006 -5.083 1.00 0.79 H new ATOM 0 HD11 ILE A 12 -9.890 0.781 -6.565 1.00 1.11 H new ATOM 0 HD12 ILE A 12 -8.499 -0.189 -7.105 1.00 1.11 H new ATOM 0 HD13 ILE A 12 -8.555 0.436 -5.440 1.00 1.11 H new ATOM 175 N ALA A 13 -6.972 3.031 -9.881 1.00 0.58 N ATOM 176 CA ALA A 13 -7.182 2.894 -11.318 1.00 0.58 C ATOM 177 C ALA A 13 -5.897 3.232 -12.086 1.00 0.59 C ATOM 178 O ALA A 13 -5.478 2.467 -12.953 1.00 0.63 O ATOM 179 CB ALA A 13 -8.370 3.746 -11.779 1.00 0.63 C ATOM 0 H ALA A 13 -7.644 3.642 -9.416 1.00 0.58 H new ATOM 0 HA ALA A 13 -7.428 1.855 -11.538 1.00 0.58 H new ATOM 0 HB1 ALA A 13 -8.507 3.628 -12.854 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -9.273 3.423 -11.260 1.00 0.63 H new ATOM 0 HB3 ALA A 13 -8.176 4.794 -11.551 1.00 0.63 H new ATOM 185 N ALA A 14 -5.253 4.355 -11.749 1.00 0.58 N ATOM 186 CA ALA A 14 -3.975 4.717 -12.352 1.00 0.59 C ATOM 187 C ALA A 14 -2.906 3.652 -12.063 1.00 0.55 C ATOM 188 O ALA A 14 -2.346 3.059 -12.989 1.00 0.56 O ATOM 189 CB ALA A 14 -3.537 6.104 -11.871 1.00 0.63 C ATOM 0 H ALA A 14 -5.599 5.025 -11.062 1.00 0.58 H new ATOM 0 HA ALA A 14 -4.100 4.760 -13.434 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -2.582 6.363 -12.328 1.00 0.63 H new ATOM 0 HB2 ALA A 14 -4.287 6.842 -12.156 1.00 0.63 H new ATOM 0 HB3 ALA A 14 -3.430 6.096 -10.786 1.00 0.63 H new ATOM 195 N ALA A 15 -2.627 3.400 -10.780 1.00 0.54 N ATOM 196 CA ALA A 15 -1.596 2.471 -10.335 1.00 0.53 C ATOM 197 C ALA A 15 -1.728 1.112 -11.021 1.00 0.57 C ATOM 198 O ALA A 15 -0.754 0.546 -11.517 1.00 0.58 O ATOM 199 CB ALA A 15 -1.677 2.302 -8.819 1.00 0.57 C ATOM 0 H ALA A 15 -3.124 3.848 -10.010 1.00 0.54 H new ATOM 0 HA ALA A 15 -0.626 2.886 -10.608 1.00 0.53 H new ATOM 0 HB1 ALA A 15 -0.905 1.607 -8.489 1.00 0.57 H new ATOM 0 HB2 ALA A 15 -1.526 3.268 -8.337 1.00 0.57 H new ATOM 0 HB3 ALA A 15 -2.658 1.911 -8.548 1.00 0.57 H new ATOM 205 N LEU A 16 -2.961 0.607 -11.046 1.00 0.64 N ATOM 206 CA LEU A 16 -3.320 -0.661 -11.671 1.00 0.69 C ATOM 207 C LEU A 16 -2.808 -0.741 -13.108 1.00 0.65 C ATOM 208 O LEU A 16 -2.418 -1.817 -13.559 1.00 0.63 O ATOM 209 CB LEU A 16 -4.843 -0.896 -11.652 1.00 0.75 C ATOM 210 CG LEU A 16 -5.331 -1.861 -10.557 1.00 2.18 C ATOM 211 CD1 LEU A 16 -4.937 -1.461 -9.130 1.00 4.01 C ATOM 212 CD2 LEU A 16 -6.859 -1.966 -10.638 1.00 2.84 C ATOM 0 H LEU A 16 -3.757 1.082 -10.621 1.00 0.64 H new ATOM 0 HA LEU A 16 -2.841 -1.443 -11.082 1.00 0.69 H new ATOM 0 HB2 LEU A 16 -5.343 0.063 -11.521 1.00 0.75 H new ATOM 0 HB3 LEU A 16 -5.149 -1.285 -12.623 1.00 0.75 H new ATOM 0 HG LEU A 16 -4.840 -2.815 -10.750 1.00 2.18 H new ATOM 0 HD11 LEU A 16 -5.323 -2.198 -8.426 1.00 4.01 H new ATOM 0 HD12 LEU A 16 -3.851 -1.418 -9.051 1.00 4.01 H new ATOM 0 HD13 LEU A 16 -5.357 -0.482 -8.897 1.00 4.01 H new ATOM 0 HD21 LEU A 16 -7.218 -2.647 -9.867 1.00 2.84 H new ATOM 0 HD22 LEU A 16 -7.300 -0.981 -10.486 1.00 2.84 H new ATOM 0 HD23 LEU A 16 -7.146 -2.344 -11.619 1.00 2.84 H new ATOM 224 N GLN A 17 -2.844 0.372 -13.846 1.00 0.65 N ATOM 225 CA GLN A 17 -2.345 0.398 -15.209 1.00 0.70 C ATOM 226 C GLN A 17 -0.831 0.583 -15.194 1.00 0.74 C ATOM 227 O GLN A 17 -0.121 -0.084 -15.947 1.00 0.77 O ATOM 228 CB GLN A 17 -3.071 1.487 -16.011 1.00 0.75 C ATOM 229 CG GLN A 17 -2.776 1.419 -17.520 1.00 1.79 C ATOM 230 CD GLN A 17 -1.660 2.361 -17.966 1.00 3.46 C ATOM 231 OE1 GLN A 17 -1.928 3.465 -18.428 1.00 3.76 O ATOM 232 NE2 GLN A 17 -0.402 1.944 -17.861 1.00 5.28 N ATOM 0 H GLN A 17 -3.215 1.263 -13.516 1.00 0.65 H new ATOM 0 HA GLN A 17 -2.550 -0.550 -15.706 1.00 0.70 H new ATOM 0 HB2 GLN A 17 -4.145 1.393 -15.852 1.00 0.75 H new ATOM 0 HB3 GLN A 17 -2.777 2.466 -15.633 1.00 0.75 H new ATOM 0 HG2 GLN A 17 -2.504 0.397 -17.783 1.00 1.79 H new ATOM 0 HG3 GLN A 17 -3.685 1.659 -18.071 1.00 1.79 H new ATOM 0 HE21 GLN A 17 -0.201 1.022 -17.474 1.00 5.28 H new ATOM 0 HE22 GLN A 17 0.362 2.546 -18.168 1.00 5.28 H new ATOM 241 N GLU A 18 -0.334 1.531 -14.397 1.00 0.75 N ATOM 242 CA GLU A 18 1.052 1.966 -14.502 1.00 0.75 C ATOM 243 C GLU A 18 2.034 0.893 -14.007 1.00 0.87 C ATOM 244 O GLU A 18 3.130 0.767 -14.548 1.00 1.05 O ATOM 245 CB GLU A 18 1.199 3.362 -13.881 1.00 0.71 C ATOM 246 CG GLU A 18 1.428 3.392 -12.363 1.00 0.94 C ATOM 247 CD GLU A 18 2.885 3.590 -11.965 1.00 1.55 C ATOM 248 OE1 GLU A 18 3.623 4.247 -12.730 1.00 2.32 O ATOM 249 OE2 GLU A 18 3.265 3.068 -10.898 1.00 2.42 O ATOM 0 H GLU A 18 -0.873 2.009 -13.675 1.00 0.75 H new ATOM 0 HA GLU A 18 1.336 2.081 -15.548 1.00 0.75 H new ATOM 0 HB2 GLU A 18 2.032 3.870 -14.366 1.00 0.71 H new ATOM 0 HB3 GLU A 18 0.301 3.937 -14.106 1.00 0.71 H new ATOM 0 HG2 GLU A 18 0.831 4.195 -11.931 1.00 0.94 H new ATOM 0 HG3 GLU A 18 1.067 2.458 -11.932 1.00 0.94 H new ATOM 256 N CYS A 19 1.615 0.082 -13.029 1.00 0.83 N ATOM 257 CA CYS A 19 2.319 -1.101 -12.548 1.00 0.91 C ATOM 258 C CYS A 19 1.436 -2.329 -12.796 1.00 0.91 C ATOM 259 O CYS A 19 1.246 -3.159 -11.911 1.00 1.08 O ATOM 260 CB CYS A 19 2.670 -0.961 -11.061 1.00 1.13 C ATOM 261 SG CYS A 19 4.012 0.228 -10.825 1.00 1.62 S ATOM 0 H CYS A 19 0.738 0.243 -12.533 1.00 0.83 H new ATOM 0 HA CYS A 19 3.259 -1.216 -13.089 1.00 0.91 H new ATOM 0 HB2 CYS A 19 1.790 -0.638 -10.504 1.00 1.13 H new ATOM 0 HB3 CYS A 19 2.963 -1.931 -10.659 1.00 1.13 H new ATOM 0 HG CYS A 19 3.513 1.409 -10.609 1.00 1.62 H new ATOM 267 N ARG A 20 0.890 -2.460 -14.012 1.00 0.82 N ATOM 268 CA ARG A 20 0.147 -3.662 -14.393 1.00 0.88 C ATOM 269 C ARG A 20 1.104 -4.855 -14.509 1.00 0.90 C ATOM 270 O ARG A 20 0.724 -6.006 -14.292 1.00 0.90 O ATOM 271 CB ARG A 20 -0.585 -3.435 -15.722 1.00 0.92 C ATOM 272 CG ARG A 20 -1.741 -4.433 -15.861 1.00 1.55 C ATOM 273 CD ARG A 20 -2.314 -4.387 -17.277 1.00 1.87 C ATOM 274 NE ARG A 20 -3.339 -5.428 -17.477 1.00 2.89 N ATOM 275 CZ ARG A 20 -4.611 -5.368 -17.050 1.00 4.04 C ATOM 276 NH1 ARG A 20 -5.053 -4.275 -16.418 1.00 4.59 N ATOM 277 NH2 ARG A 20 -5.435 -6.403 -17.256 1.00 5.17 N ATOM 0 H ARG A 20 0.950 -1.751 -14.743 1.00 0.82 H new ATOM 0 HA ARG A 20 -0.593 -3.878 -13.622 1.00 0.88 H new ATOM 0 HB2 ARG A 20 -0.967 -2.415 -15.767 1.00 0.92 H new ATOM 0 HB3 ARG A 20 0.110 -3.552 -16.554 1.00 0.92 H new ATOM 0 HG2 ARG A 20 -1.390 -5.440 -15.636 1.00 1.55 H new ATOM 0 HG3 ARG A 20 -2.522 -4.198 -15.138 1.00 1.55 H new ATOM 0 HD2 ARG A 20 -2.749 -3.405 -17.463 1.00 1.87 H new ATOM 0 HD3 ARG A 20 -1.510 -4.522 -18.001 1.00 1.87 H new ATOM 0 HE ARG A 20 -3.057 -6.267 -17.984 1.00 2.89 H new ATOM 0 HH11 ARG A 20 -4.424 -3.488 -16.261 1.00 4.59 H new ATOM 0 HH12 ARG A 20 -6.019 -4.229 -16.094 1.00 4.59 H new ATOM 0 HH21 ARG A 20 -5.097 -7.236 -17.737 1.00 5.17 H new ATOM 0 HH22 ARG A 20 -6.401 -6.358 -16.932 1.00 5.17 H new ATOM 291 N ASP A 21 2.335 -4.553 -14.918 1.00 1.01 N ATOM 292 CA ASP A 21 3.332 -5.505 -15.369 1.00 0.97 C ATOM 293 C ASP A 21 4.036 -6.171 -14.174 1.00 0.93 C ATOM 294 O ASP A 21 4.135 -5.569 -13.102 1.00 0.93 O ATOM 295 CB ASP A 21 4.297 -4.735 -16.288 1.00 1.03 C ATOM 296 CG ASP A 21 3.728 -4.442 -17.673 1.00 1.17 C ATOM 297 OD1 ASP A 21 2.698 -5.054 -18.031 1.00 1.80 O ATOM 298 OD2 ASP A 21 4.335 -3.585 -18.347 1.00 2.25 O ATOM 0 H ASP A 21 2.674 -3.591 -14.943 1.00 1.01 H new ATOM 0 HA ASP A 21 2.881 -6.327 -15.926 1.00 0.97 H new ATOM 0 HB2 ASP A 21 4.566 -3.793 -15.809 1.00 1.03 H new ATOM 0 HB3 ASP A 21 5.216 -5.310 -16.398 1.00 1.03 H new ATOM 303 N PRO A 22 4.494 -7.426 -14.332 1.00 0.99 N ATOM 304 CA PRO A 22 5.079 -8.201 -13.248 1.00 1.07 C ATOM 305 C PRO A 22 6.391 -7.566 -12.794 1.00 1.06 C ATOM 306 O PRO A 22 7.150 -7.068 -13.623 1.00 1.35 O ATOM 307 CB PRO A 22 5.300 -9.604 -13.821 1.00 1.25 C ATOM 308 CG PRO A 22 5.501 -9.340 -15.313 1.00 1.32 C ATOM 309 CD PRO A 22 4.542 -8.177 -15.577 1.00 1.15 C ATOM 0 HA PRO A 22 4.435 -8.236 -12.369 1.00 1.07 H new ATOM 0 HB2 PRO A 22 6.169 -10.089 -13.377 1.00 1.25 H new ATOM 0 HB3 PRO A 22 4.444 -10.254 -13.638 1.00 1.25 H new ATOM 0 HG2 PRO A 22 6.533 -9.075 -15.543 1.00 1.32 H new ATOM 0 HG3 PRO A 22 5.255 -10.214 -15.916 1.00 1.32 H new ATOM 0 HD2 PRO A 22 4.897 -7.554 -16.398 1.00 1.15 H new ATOM 0 HD3 PRO A 22 3.552 -8.539 -15.856 1.00 1.15 H new ATOM 317 N ASP A 23 6.637 -7.569 -11.480 1.00 0.95 N ATOM 318 CA ASP A 23 7.847 -7.074 -10.845 1.00 0.93 C ATOM 319 C ASP A 23 8.062 -5.556 -11.033 1.00 0.90 C ATOM 320 O ASP A 23 9.124 -5.054 -10.674 1.00 1.20 O ATOM 321 CB ASP A 23 9.082 -7.887 -11.291 1.00 1.05 C ATOM 322 CG ASP A 23 8.966 -9.386 -11.037 1.00 1.34 C ATOM 323 OD1 ASP A 23 8.359 -10.080 -11.881 1.00 2.22 O ATOM 324 OD2 ASP A 23 9.514 -9.825 -10.001 1.00 2.31 O ATOM 0 H ASP A 23 5.964 -7.934 -10.806 1.00 0.95 H new ATOM 0 HA ASP A 23 7.713 -7.220 -9.773 1.00 0.93 H new ATOM 0 HB2 ASP A 23 9.247 -7.722 -12.356 1.00 1.05 H new ATOM 0 HB3 ASP A 23 9.961 -7.508 -10.769 1.00 1.05 H new ATOM 329 N THR A 24 7.082 -4.809 -11.567 1.00 0.74 N ATOM 330 CA THR A 24 7.253 -3.402 -11.947 1.00 0.70 C ATOM 331 C THR A 24 6.865 -2.430 -10.841 1.00 0.64 C ATOM 332 O THR A 24 7.089 -1.229 -10.954 1.00 0.82 O ATOM 333 CB THR A 24 6.458 -3.121 -13.228 1.00 0.72 C ATOM 334 OG1 THR A 24 6.804 -4.099 -14.173 1.00 0.89 O ATOM 335 CG2 THR A 24 6.754 -1.757 -13.863 1.00 0.77 C ATOM 0 H THR A 24 6.145 -5.169 -11.747 1.00 0.74 H new ATOM 0 HA THR A 24 8.316 -3.238 -12.126 1.00 0.70 H new ATOM 0 HB THR A 24 5.404 -3.131 -12.950 1.00 0.72 H new ATOM 0 HG1 THR A 24 6.726 -3.724 -15.075 1.00 0.89 H new ATOM 0 HG21 THR A 24 6.152 -1.637 -14.764 1.00 0.77 H new ATOM 0 HG22 THR A 24 6.510 -0.965 -13.155 1.00 0.77 H new ATOM 0 HG23 THR A 24 7.811 -1.698 -14.123 1.00 0.77 H new ATOM 343 N PHE A 25 6.251 -2.930 -9.773 1.00 0.55 N ATOM 344 CA PHE A 25 5.918 -2.086 -8.645 1.00 0.74 C ATOM 345 C PHE A 25 7.194 -1.441 -8.088 1.00 0.80 C ATOM 346 O PHE A 25 8.030 -2.148 -7.539 1.00 1.22 O ATOM 347 CB PHE A 25 5.216 -2.928 -7.576 1.00 1.14 C ATOM 348 CG PHE A 25 3.720 -2.702 -7.478 1.00 0.99 C ATOM 349 CD1 PHE A 25 2.852 -3.312 -8.402 1.00 2.15 C ATOM 350 CD2 PHE A 25 3.200 -1.825 -6.506 1.00 1.63 C ATOM 351 CE1 PHE A 25 1.476 -3.017 -8.380 1.00 2.89 C ATOM 352 CE2 PHE A 25 1.820 -1.561 -6.460 1.00 2.08 C ATOM 353 CZ PHE A 25 0.960 -2.141 -7.409 1.00 2.54 C ATOM 0 H PHE A 25 5.978 -3.908 -9.671 1.00 0.55 H new ATOM 0 HA PHE A 25 5.244 -1.290 -8.960 1.00 0.74 H new ATOM 0 HB2 PHE A 25 5.398 -3.982 -7.785 1.00 1.14 H new ATOM 0 HB3 PHE A 25 5.667 -2.712 -6.608 1.00 1.14 H new ATOM 0 HD1 PHE A 25 3.242 -4.008 -9.130 1.00 2.15 H new ATOM 0 HD2 PHE A 25 3.863 -1.355 -5.795 1.00 1.63 H new ATOM 0 HE1 PHE A 25 0.816 -3.464 -9.109 1.00 2.89 H new ATOM 0 HE2 PHE A 25 1.420 -0.912 -5.695 1.00 2.08 H new ATOM 0 HZ PHE A 25 -0.096 -1.914 -7.392 1.00 2.54 H new ATOM 363 N GLU A 26 7.320 -0.113 -8.165 1.00 0.67 N ATOM 364 CA GLU A 26 8.303 0.640 -7.386 1.00 0.71 C ATOM 365 C GLU A 26 7.589 1.322 -6.214 1.00 0.72 C ATOM 366 O GLU A 26 6.430 1.720 -6.350 1.00 0.67 O ATOM 367 CB GLU A 26 9.032 1.686 -8.247 1.00 0.70 C ATOM 368 CG GLU A 26 10.464 1.288 -8.631 1.00 0.84 C ATOM 369 CD GLU A 26 10.512 0.443 -9.895 1.00 2.26 C ATOM 370 OE1 GLU A 26 10.064 0.976 -10.934 1.00 3.50 O ATOM 371 OE2 GLU A 26 11.038 -0.685 -9.802 1.00 3.70 O ATOM 0 H GLU A 26 6.742 0.470 -8.771 1.00 0.67 H new ATOM 0 HA GLU A 26 9.057 -0.053 -7.014 1.00 0.71 H new ATOM 0 HB2 GLU A 26 8.457 1.858 -9.157 1.00 0.70 H new ATOM 0 HB3 GLU A 26 9.061 2.631 -7.705 1.00 0.70 H new ATOM 0 HG2 GLU A 26 11.062 2.188 -8.776 1.00 0.84 H new ATOM 0 HG3 GLU A 26 10.917 0.733 -7.809 1.00 0.84 H new ATOM 378 N PRO A 27 8.268 1.498 -5.068 1.00 0.79 N ATOM 379 CA PRO A 27 7.678 2.074 -3.874 1.00 0.83 C ATOM 380 C PRO A 27 7.338 3.545 -4.087 1.00 0.77 C ATOM 381 O PRO A 27 6.166 3.906 -4.096 1.00 0.72 O ATOM 382 CB PRO A 27 8.707 1.858 -2.762 1.00 0.95 C ATOM 383 CG PRO A 27 10.045 1.726 -3.498 1.00 1.01 C ATOM 384 CD PRO A 27 9.651 1.109 -4.836 1.00 0.89 C ATOM 0 HA PRO A 27 6.731 1.602 -3.613 1.00 0.83 H new ATOM 0 HB2 PRO A 27 8.719 2.695 -2.064 1.00 0.95 H new ATOM 0 HB3 PRO A 27 8.483 0.963 -2.182 1.00 0.95 H new ATOM 0 HG2 PRO A 27 10.529 2.694 -3.629 1.00 1.01 H new ATOM 0 HG3 PRO A 27 10.743 1.091 -2.952 1.00 1.01 H new ATOM 0 HD2 PRO A 27 10.297 1.470 -5.637 1.00 0.89 H new ATOM 0 HD3 PRO A 27 9.751 0.024 -4.810 1.00 0.89 H new ATOM 392 N GLN A 28 8.356 4.392 -4.273 1.00 0.81 N ATOM 393 CA GLN A 28 8.201 5.830 -4.458 1.00 0.81 C ATOM 394 C GLN A 28 7.321 6.132 -5.680 1.00 0.78 C ATOM 395 O GLN A 28 6.564 7.102 -5.691 1.00 0.99 O ATOM 396 CB GLN A 28 9.588 6.476 -4.563 1.00 0.86 C ATOM 397 CG GLN A 28 10.301 6.437 -3.202 1.00 0.92 C ATOM 398 CD GLN A 28 11.815 6.530 -3.353 1.00 1.18 C ATOM 399 OE1 GLN A 28 12.476 5.519 -3.558 1.00 2.33 O ATOM 400 NE2 GLN A 28 12.380 7.729 -3.254 1.00 1.35 N ATOM 0 H GLN A 28 9.329 4.086 -4.299 1.00 0.81 H new ATOM 0 HA GLN A 28 7.690 6.260 -3.597 1.00 0.81 H new ATOM 0 HB2 GLN A 28 10.185 5.951 -5.309 1.00 0.86 H new ATOM 0 HB3 GLN A 28 9.491 7.508 -4.901 1.00 0.86 H new ATOM 0 HG2 GLN A 28 9.946 7.260 -2.582 1.00 0.92 H new ATOM 0 HG3 GLN A 28 10.044 5.514 -2.683 1.00 0.92 H new ATOM 0 HE21 GLN A 28 11.803 8.552 -3.083 1.00 1.35 H new ATOM 0 HE22 GLN A 28 13.391 7.826 -3.349 1.00 1.35 H new ATOM 409 N LYS A 29 7.394 5.267 -6.695 1.00 0.56 N ATOM 410 CA LYS A 29 6.528 5.322 -7.858 1.00 0.51 C ATOM 411 C LYS A 29 5.067 5.141 -7.431 1.00 0.50 C ATOM 412 O LYS A 29 4.270 6.075 -7.544 1.00 0.52 O ATOM 413 CB LYS A 29 6.978 4.241 -8.848 1.00 0.51 C ATOM 414 CG LYS A 29 6.325 4.359 -10.227 1.00 0.62 C ATOM 415 CD LYS A 29 7.111 5.362 -11.086 1.00 1.43 C ATOM 416 CE LYS A 29 6.418 5.637 -12.423 1.00 2.10 C ATOM 417 NZ LYS A 29 6.177 4.401 -13.194 1.00 2.84 N ATOM 0 H LYS A 29 8.068 4.502 -6.725 1.00 0.56 H new ATOM 0 HA LYS A 29 6.599 6.293 -8.348 1.00 0.51 H new ATOM 0 HB2 LYS A 29 8.061 4.294 -8.963 1.00 0.51 H new ATOM 0 HB3 LYS A 29 6.749 3.261 -8.430 1.00 0.51 H new ATOM 0 HG2 LYS A 29 6.304 3.385 -10.715 1.00 0.62 H new ATOM 0 HG3 LYS A 29 5.290 4.686 -10.124 1.00 0.62 H new ATOM 0 HD2 LYS A 29 7.226 6.297 -10.538 1.00 1.43 H new ATOM 0 HD3 LYS A 29 8.113 4.975 -11.270 1.00 1.43 H new ATOM 0 HE2 LYS A 29 5.468 6.140 -12.241 1.00 2.10 H new ATOM 0 HE3 LYS A 29 7.031 6.318 -13.014 1.00 2.10 H new ATOM 0 HZ1 LYS A 29 6.232 4.610 -14.211 1.00 2.84 H new ATOM 0 HZ2 LYS A 29 6.896 3.692 -12.947 1.00 2.84 H new ATOM 0 HZ3 LYS A 29 5.232 4.030 -12.968 1.00 2.84 H new ATOM 431 N PHE A 30 4.720 3.948 -6.933 1.00 0.51 N ATOM 432 CA PHE A 30 3.355 3.616 -6.549 1.00 0.53 C ATOM 433 C PHE A 30 2.828 4.650 -5.562 1.00 0.57 C ATOM 434 O PHE A 30 1.742 5.183 -5.730 1.00 0.64 O ATOM 435 CB PHE A 30 3.282 2.207 -5.949 1.00 0.55 C ATOM 436 CG PHE A 30 1.930 1.890 -5.335 1.00 0.72 C ATOM 437 CD1 PHE A 30 0.796 1.791 -6.160 1.00 1.59 C ATOM 438 CD2 PHE A 30 1.772 1.869 -3.936 1.00 2.12 C ATOM 439 CE1 PHE A 30 -0.481 1.628 -5.590 1.00 1.66 C ATOM 440 CE2 PHE A 30 0.502 1.674 -3.367 1.00 2.36 C ATOM 441 CZ PHE A 30 -0.627 1.568 -4.195 1.00 1.35 C ATOM 0 H PHE A 30 5.385 3.188 -6.787 1.00 0.51 H new ATOM 0 HA PHE A 30 2.729 3.630 -7.441 1.00 0.53 H new ATOM 0 HB2 PHE A 30 3.501 1.476 -6.727 1.00 0.55 H new ATOM 0 HB3 PHE A 30 4.054 2.103 -5.187 1.00 0.55 H new ATOM 0 HD1 PHE A 30 0.905 1.840 -7.233 1.00 1.59 H new ATOM 0 HD2 PHE A 30 2.632 2.004 -3.297 1.00 2.12 H new ATOM 0 HE1 PHE A 30 -1.350 1.549 -6.227 1.00 1.66 H new ATOM 0 HE2 PHE A 30 0.395 1.606 -2.295 1.00 2.36 H new ATOM 0 HZ PHE A 30 -1.607 1.440 -3.759 1.00 1.35 H new ATOM 451 N PHE A 31 3.626 4.959 -4.548 1.00 0.60 N ATOM 452 CA PHE A 31 3.415 6.012 -3.574 1.00 0.78 C ATOM 453 C PHE A 31 2.829 7.279 -4.212 1.00 0.70 C ATOM 454 O PHE A 31 1.753 7.739 -3.818 1.00 0.74 O ATOM 455 CB PHE A 31 4.777 6.276 -2.920 1.00 1.08 C ATOM 456 CG PHE A 31 4.921 7.591 -2.206 1.00 2.05 C ATOM 457 CD1 PHE A 31 3.915 7.975 -1.318 1.00 2.72 C ATOM 458 CD2 PHE A 31 5.998 8.460 -2.475 1.00 3.77 C ATOM 459 CE1 PHE A 31 3.972 9.232 -0.724 1.00 4.32 C ATOM 460 CE2 PHE A 31 6.128 9.658 -1.752 1.00 5.09 C ATOM 461 CZ PHE A 31 5.121 10.032 -0.851 1.00 5.19 C ATOM 0 H PHE A 31 4.491 4.446 -4.377 1.00 0.60 H new ATOM 0 HA PHE A 31 2.680 5.706 -2.829 1.00 0.78 H new ATOM 0 HB2 PHE A 31 4.978 5.475 -2.209 1.00 1.08 H new ATOM 0 HB3 PHE A 31 5.545 6.218 -3.691 1.00 1.08 H new ATOM 0 HD1 PHE A 31 3.100 7.303 -1.094 1.00 2.72 H new ATOM 0 HD2 PHE A 31 6.722 8.206 -3.235 1.00 3.77 H new ATOM 0 HE1 PHE A 31 3.126 9.596 -0.160 1.00 4.32 H new ATOM 0 HE2 PHE A 31 6.996 10.285 -1.889 1.00 5.09 H new ATOM 0 HZ PHE A 31 5.227 10.929 -0.258 1.00 5.19 H new ATOM 471 N GLN A 32 3.532 7.852 -5.193 1.00 0.67 N ATOM 472 CA GLN A 32 3.099 9.089 -5.813 1.00 0.69 C ATOM 473 C GLN A 32 1.883 8.814 -6.690 1.00 0.68 C ATOM 474 O GLN A 32 0.896 9.541 -6.600 1.00 0.76 O ATOM 475 CB GLN A 32 4.243 9.740 -6.599 1.00 0.74 C ATOM 476 CG GLN A 32 3.858 11.173 -6.997 1.00 1.57 C ATOM 477 CD GLN A 32 4.899 11.810 -7.909 1.00 1.78 C ATOM 478 OE1 GLN A 32 4.776 11.761 -9.127 1.00 3.09 O ATOM 479 NE2 GLN A 32 5.927 12.426 -7.335 1.00 1.86 N ATOM 0 H GLN A 32 4.401 7.473 -5.569 1.00 0.67 H new ATOM 0 HA GLN A 32 2.810 9.801 -5.040 1.00 0.69 H new ATOM 0 HB2 GLN A 32 5.150 9.753 -5.994 1.00 0.74 H new ATOM 0 HB3 GLN A 32 4.463 9.153 -7.491 1.00 0.74 H new ATOM 0 HG2 GLN A 32 2.892 11.162 -7.501 1.00 1.57 H new ATOM 0 HG3 GLN A 32 3.742 11.780 -6.099 1.00 1.57 H new ATOM 0 HE21 GLN A 32 6.004 12.451 -6.318 1.00 1.86 H new ATOM 0 HE22 GLN A 32 6.640 12.874 -7.911 1.00 1.86 H new ATOM 488 N THR A 33 1.932 7.767 -7.521 1.00 0.63 N ATOM 489 CA THR A 33 0.867 7.439 -8.448 1.00 0.60 C ATOM 490 C THR A 33 -0.458 7.225 -7.708 1.00 0.69 C ATOM 491 O THR A 33 -1.523 7.560 -8.218 1.00 0.83 O ATOM 492 CB THR A 33 1.307 6.234 -9.307 1.00 0.51 C ATOM 493 OG1 THR A 33 1.013 6.548 -10.638 1.00 0.49 O ATOM 494 CG2 THR A 33 0.612 4.912 -8.980 1.00 0.51 C ATOM 0 H THR A 33 2.723 7.124 -7.562 1.00 0.63 H new ATOM 0 HA THR A 33 0.681 8.271 -9.127 1.00 0.60 H new ATOM 0 HB THR A 33 2.367 6.077 -9.105 1.00 0.51 H new ATOM 0 HG1 THR A 33 1.655 6.102 -11.229 1.00 0.49 H new ATOM 0 HG21 THR A 33 0.990 4.130 -9.638 1.00 0.51 H new ATOM 0 HG22 THR A 33 0.812 4.643 -7.943 1.00 0.51 H new ATOM 0 HG23 THR A 33 -0.463 5.020 -9.126 1.00 0.51 H new ATOM 502 N SER A 34 -0.364 6.672 -6.500 1.00 0.71 N ATOM 503 CA SER A 34 -1.471 6.333 -5.633 1.00 0.83 C ATOM 504 C SER A 34 -1.948 7.591 -4.874 1.00 0.97 C ATOM 505 O SER A 34 -2.914 7.556 -4.120 1.00 1.30 O ATOM 506 CB SER A 34 -1.005 5.210 -4.688 1.00 0.96 C ATOM 507 OG SER A 34 -2.034 4.693 -3.869 1.00 1.45 O ATOM 0 H SER A 34 0.539 6.439 -6.086 1.00 0.71 H new ATOM 0 HA SER A 34 -2.327 5.973 -6.203 1.00 0.83 H new ATOM 0 HB2 SER A 34 -0.584 4.399 -5.282 1.00 0.96 H new ATOM 0 HB3 SER A 34 -0.204 5.590 -4.054 1.00 0.96 H new ATOM 0 HG SER A 34 -2.788 4.414 -4.429 1.00 1.45 H new ATOM 513 N GLY A 35 -1.269 8.737 -5.010 1.00 0.85 N ATOM 514 CA GLY A 35 -1.757 9.999 -4.465 1.00 0.91 C ATOM 515 C GLY A 35 -1.589 10.059 -2.948 1.00 0.76 C ATOM 516 O GLY A 35 -1.950 11.047 -2.308 1.00 0.68 O ATOM 0 H GLY A 35 -0.376 8.810 -5.497 1.00 0.85 H new ATOM 0 HA2 GLY A 35 -1.217 10.827 -4.924 1.00 0.91 H new ATOM 0 HA3 GLY A 35 -2.809 10.123 -4.720 1.00 0.91 H new ATOM 520 N LEU A 36 -0.966 9.029 -2.377 1.00 0.85 N ATOM 521 CA LEU A 36 -0.678 8.919 -0.967 1.00 0.84 C ATOM 522 C LEU A 36 0.230 10.080 -0.547 1.00 0.85 C ATOM 523 O LEU A 36 0.075 10.614 0.544 1.00 0.86 O ATOM 524 CB LEU A 36 -0.056 7.537 -0.730 1.00 0.99 C ATOM 525 CG LEU A 36 -0.993 6.358 -1.054 1.00 1.17 C ATOM 526 CD1 LEU A 36 -0.198 5.049 -0.983 1.00 1.75 C ATOM 527 CD2 LEU A 36 -2.178 6.274 -0.083 1.00 1.28 C ATOM 0 H LEU A 36 -0.640 8.224 -2.912 1.00 0.85 H new ATOM 0 HA LEU A 36 -1.574 8.994 -0.351 1.00 0.84 H new ATOM 0 HB2 LEU A 36 0.845 7.448 -1.337 1.00 0.99 H new ATOM 0 HB3 LEU A 36 0.254 7.464 0.313 1.00 0.99 H new ATOM 0 HG LEU A 36 -1.392 6.519 -2.055 1.00 1.17 H new ATOM 0 HD11 LEU A 36 -0.856 4.211 -1.211 1.00 1.75 H new ATOM 0 HD12 LEU A 36 0.617 5.078 -1.707 1.00 1.75 H new ATOM 0 HD13 LEU A 36 0.212 4.926 0.020 1.00 1.75 H new ATOM 0 HD21 LEU A 36 -2.810 5.427 -0.352 1.00 1.28 H new ATOM 0 HD22 LEU A 36 -1.807 6.141 0.933 1.00 1.28 H new ATOM 0 HD23 LEU A 36 -2.760 7.194 -0.139 1.00 1.28 H new ATOM 539 N SER A 37 1.125 10.518 -1.440 1.00 0.90 N ATOM 540 CA SER A 37 1.953 11.708 -1.250 1.00 1.01 C ATOM 541 C SER A 37 1.094 12.964 -1.117 1.00 0.92 C ATOM 542 O SER A 37 1.468 13.901 -0.417 1.00 0.99 O ATOM 543 CB SER A 37 2.884 11.850 -2.468 1.00 1.25 C ATOM 544 OG SER A 37 3.848 12.864 -2.282 1.00 2.34 O ATOM 0 H SER A 37 1.295 10.046 -2.328 1.00 0.90 H new ATOM 0 HA SER A 37 2.530 11.597 -0.332 1.00 1.01 H new ATOM 0 HB2 SER A 37 3.387 10.901 -2.652 1.00 1.25 H new ATOM 0 HB3 SER A 37 2.290 12.073 -3.354 1.00 1.25 H new ATOM 0 HG SER A 37 4.618 12.499 -1.798 1.00 2.34 H new ATOM 550 N LYS A 38 -0.040 13.013 -1.824 1.00 0.85 N ATOM 551 CA LYS A 38 -0.875 14.196 -1.808 1.00 0.87 C ATOM 552 C LYS A 38 -1.718 14.172 -0.541 1.00 0.79 C ATOM 553 O LYS A 38 -2.007 15.217 0.039 1.00 0.85 O ATOM 554 CB LYS A 38 -1.761 14.280 -3.060 1.00 0.93 C ATOM 555 CG LYS A 38 -1.869 15.747 -3.505 1.00 1.24 C ATOM 556 CD LYS A 38 -3.035 15.970 -4.475 1.00 2.57 C ATOM 557 CE LYS A 38 -3.025 17.426 -4.968 1.00 3.18 C ATOM 558 NZ LYS A 38 -4.252 17.778 -5.711 1.00 4.58 N ATOM 0 H LYS A 38 -0.389 12.251 -2.405 1.00 0.85 H new ATOM 0 HA LYS A 38 -0.243 15.084 -1.815 1.00 0.87 H new ATOM 0 HB2 LYS A 38 -1.337 13.675 -3.861 1.00 0.93 H new ATOM 0 HB3 LYS A 38 -2.752 13.878 -2.847 1.00 0.93 H new ATOM 0 HG2 LYS A 38 -2.000 16.383 -2.629 1.00 1.24 H new ATOM 0 HG3 LYS A 38 -0.937 16.050 -3.983 1.00 1.24 H new ATOM 0 HD2 LYS A 38 -2.952 15.288 -5.322 1.00 2.57 H new ATOM 0 HD3 LYS A 38 -3.981 15.750 -3.980 1.00 2.57 H new ATOM 0 HE2 LYS A 38 -2.916 18.095 -4.114 1.00 3.18 H new ATOM 0 HE3 LYS A 38 -2.158 17.584 -5.609 1.00 3.18 H new ATOM 0 HZ1 LYS A 38 -4.197 18.769 -6.022 1.00 4.58 H new ATOM 0 HZ2 LYS A 38 -4.345 17.159 -6.542 1.00 4.58 H new ATOM 0 HZ3 LYS A 38 -5.079 17.654 -5.093 1.00 4.58 H new ATOM 572 N MET A 39 -2.154 12.974 -0.145 1.00 0.69 N ATOM 573 CA MET A 39 -2.971 12.822 1.038 1.00 0.69 C ATOM 574 C MET A 39 -2.177 13.102 2.319 1.00 0.75 C ATOM 575 O MET A 39 -1.048 12.650 2.490 1.00 1.69 O ATOM 576 CB MET A 39 -3.608 11.435 1.038 1.00 0.67 C ATOM 577 CG MET A 39 -4.847 11.360 0.133 1.00 1.01 C ATOM 578 SD MET A 39 -6.353 12.182 0.742 1.00 2.69 S ATOM 579 CE MET A 39 -6.361 13.781 -0.115 1.00 3.90 C ATOM 0 H MET A 39 -1.950 12.102 -0.633 1.00 0.69 H new ATOM 0 HA MET A 39 -3.768 13.565 1.017 1.00 0.69 H new ATOM 0 HB2 MET A 39 -2.874 10.701 0.706 1.00 0.67 H new ATOM 0 HB3 MET A 39 -3.889 11.167 2.057 1.00 0.67 H new ATOM 0 HG2 MET A 39 -4.590 11.793 -0.833 1.00 1.01 H new ATOM 0 HG3 MET A 39 -5.079 10.309 -0.040 1.00 1.01 H new ATOM 0 HE1 MET A 39 -7.389 14.120 -0.244 1.00 3.90 H new ATOM 0 HE2 MET A 39 -5.809 14.513 0.475 1.00 3.90 H new ATOM 0 HE3 MET A 39 -5.890 13.673 -1.092 1.00 3.90 H new ATOM 589 N SER A 40 -2.780 13.861 3.236 1.00 0.66 N ATOM 590 CA SER A 40 -2.172 14.213 4.505 1.00 0.59 C ATOM 591 C SER A 40 -2.076 12.988 5.416 1.00 0.47 C ATOM 592 O SER A 40 -2.918 12.089 5.327 1.00 0.45 O ATOM 593 CB SER A 40 -3.039 15.295 5.157 1.00 0.70 C ATOM 594 OG SER A 40 -3.453 16.224 4.173 1.00 1.82 O ATOM 0 H SER A 40 -3.715 14.249 3.110 1.00 0.66 H new ATOM 0 HA SER A 40 -1.159 14.583 4.344 1.00 0.59 H new ATOM 0 HB2 SER A 40 -3.908 14.842 5.633 1.00 0.70 H new ATOM 0 HB3 SER A 40 -2.477 15.804 5.940 1.00 0.70 H new ATOM 0 HG SER A 40 -4.009 16.915 4.589 1.00 1.82 H new ATOM 600 N ALA A 41 -1.112 12.996 6.347 1.00 0.47 N ATOM 601 CA ALA A 41 -0.947 11.952 7.358 1.00 0.42 C ATOM 602 C ALA A 41 -2.283 11.513 7.954 1.00 0.41 C ATOM 603 O ALA A 41 -2.497 10.328 8.163 1.00 0.43 O ATOM 604 CB ALA A 41 -0.015 12.424 8.476 1.00 0.48 C ATOM 0 H ALA A 41 -0.417 13.740 6.417 1.00 0.47 H new ATOM 0 HA ALA A 41 -0.504 11.092 6.855 1.00 0.42 H new ATOM 0 HB1 ALA A 41 0.094 11.632 9.217 1.00 0.48 H new ATOM 0 HB2 ALA A 41 0.962 12.666 8.057 1.00 0.48 H new ATOM 0 HB3 ALA A 41 -0.436 13.310 8.951 1.00 0.48 H new ATOM 610 N ASN A 42 -3.187 12.466 8.200 1.00 0.46 N ATOM 611 CA ASN A 42 -4.546 12.208 8.674 1.00 0.51 C ATOM 612 C ASN A 42 -5.212 11.100 7.851 1.00 0.45 C ATOM 613 O ASN A 42 -5.607 10.061 8.380 1.00 0.52 O ATOM 614 CB ASN A 42 -5.395 13.488 8.589 1.00 0.62 C ATOM 615 CG ASN A 42 -4.751 14.681 9.289 1.00 0.90 C ATOM 616 OD1 ASN A 42 -4.185 14.550 10.366 1.00 1.43 O ATOM 617 ND2 ASN A 42 -4.789 15.851 8.655 1.00 1.56 N ATOM 0 H ASN A 42 -2.988 13.458 8.072 1.00 0.46 H new ATOM 0 HA ASN A 42 -4.481 11.884 9.713 1.00 0.51 H new ATOM 0 HB2 ASN A 42 -5.563 13.736 7.541 1.00 0.62 H new ATOM 0 HB3 ASN A 42 -6.373 13.299 9.032 1.00 0.62 H new ATOM 0 HD21 ASN A 42 -4.339 16.669 9.066 1.00 1.56 H new ATOM 0 HD22 ASN A 42 -5.268 15.930 7.758 1.00 1.56 H new ATOM 624 N GLN A 43 -5.328 11.326 6.540 1.00 0.39 N ATOM 625 CA GLN A 43 -5.994 10.396 5.646 1.00 0.37 C ATOM 626 C GLN A 43 -5.158 9.132 5.516 1.00 0.34 C ATOM 627 O GLN A 43 -5.710 8.040 5.505 1.00 0.37 O ATOM 628 CB GLN A 43 -6.270 11.040 4.275 1.00 0.39 C ATOM 629 CG GLN A 43 -7.762 11.370 4.095 1.00 0.69 C ATOM 630 CD GLN A 43 -8.659 10.132 4.089 1.00 1.24 C ATOM 631 OE1 GLN A 43 -9.623 10.064 4.840 1.00 2.61 O ATOM 632 NE2 GLN A 43 -8.359 9.145 3.248 1.00 1.91 N ATOM 0 H GLN A 43 -4.962 12.158 6.077 1.00 0.39 H new ATOM 0 HA GLN A 43 -6.963 10.130 6.067 1.00 0.37 H new ATOM 0 HB2 GLN A 43 -5.680 11.951 4.175 1.00 0.39 H new ATOM 0 HB3 GLN A 43 -5.948 10.364 3.483 1.00 0.39 H new ATOM 0 HG2 GLN A 43 -8.079 12.036 4.898 1.00 0.69 H new ATOM 0 HG3 GLN A 43 -7.897 11.912 3.159 1.00 0.69 H new ATOM 0 HE21 GLN A 43 -7.550 9.228 2.633 1.00 1.91 H new ATOM 0 HE22 GLN A 43 -8.938 8.306 3.219 1.00 1.91 H new ATOM 641 N VAL A 44 -3.831 9.246 5.431 1.00 0.33 N ATOM 642 CA VAL A 44 -2.988 8.079 5.271 1.00 0.34 C ATOM 643 C VAL A 44 -3.138 7.165 6.497 1.00 0.35 C ATOM 644 O VAL A 44 -3.150 5.941 6.373 1.00 0.39 O ATOM 645 CB VAL A 44 -1.555 8.572 5.053 1.00 0.39 C ATOM 646 CG1 VAL A 44 -0.590 7.399 4.903 1.00 0.49 C ATOM 647 CG2 VAL A 44 -1.479 9.458 3.795 1.00 0.48 C ATOM 0 H VAL A 44 -3.328 10.132 5.471 1.00 0.33 H new ATOM 0 HA VAL A 44 -3.277 7.479 4.408 1.00 0.34 H new ATOM 0 HB VAL A 44 -1.267 9.155 5.927 1.00 0.39 H new ATOM 0 HG11 VAL A 44 0.421 7.777 4.749 1.00 0.49 H new ATOM 0 HG12 VAL A 44 -0.616 6.789 5.806 1.00 0.49 H new ATOM 0 HG13 VAL A 44 -0.885 6.793 4.047 1.00 0.49 H new ATOM 0 HG21 VAL A 44 -0.454 9.801 3.653 1.00 0.48 H new ATOM 0 HG22 VAL A 44 -1.793 8.882 2.925 1.00 0.48 H new ATOM 0 HG23 VAL A 44 -2.136 10.319 3.916 1.00 0.48 H new ATOM 657 N LYS A 45 -3.287 7.756 7.684 1.00 0.40 N ATOM 658 CA LYS A 45 -3.557 7.025 8.907 1.00 0.48 C ATOM 659 C LYS A 45 -4.939 6.379 8.830 1.00 0.49 C ATOM 660 O LYS A 45 -5.083 5.206 9.169 1.00 0.55 O ATOM 661 CB LYS A 45 -3.400 7.945 10.125 1.00 0.58 C ATOM 662 CG LYS A 45 -3.300 7.129 11.420 1.00 0.68 C ATOM 663 CD LYS A 45 -2.944 8.044 12.600 1.00 1.32 C ATOM 664 CE LYS A 45 -2.348 7.266 13.781 1.00 1.61 C ATOM 665 NZ LYS A 45 -3.254 6.219 14.291 1.00 3.06 N ATOM 0 H LYS A 45 -3.222 8.765 7.816 1.00 0.40 H new ATOM 0 HA LYS A 45 -2.830 6.222 9.025 1.00 0.48 H new ATOM 0 HB2 LYS A 45 -2.508 8.560 10.008 1.00 0.58 H new ATOM 0 HB3 LYS A 45 -4.250 8.625 10.184 1.00 0.58 H new ATOM 0 HG2 LYS A 45 -4.247 6.625 11.614 1.00 0.68 H new ATOM 0 HG3 LYS A 45 -2.542 6.353 11.311 1.00 0.68 H new ATOM 0 HD2 LYS A 45 -2.232 8.800 12.269 1.00 1.32 H new ATOM 0 HD3 LYS A 45 -3.838 8.572 12.930 1.00 1.32 H new ATOM 0 HE2 LYS A 45 -1.409 6.808 13.472 1.00 1.61 H new ATOM 0 HE3 LYS A 45 -2.113 7.961 14.587 1.00 1.61 H new ATOM 0 HZ1 LYS A 45 -2.838 5.783 15.139 1.00 3.06 H new ATOM 0 HZ2 LYS A 45 -4.172 6.643 14.534 1.00 3.06 H new ATOM 0 HZ3 LYS A 45 -3.391 5.492 13.560 1.00 3.06 H new ATOM 679 N ASP A 46 -5.955 7.126 8.391 1.00 0.47 N ATOM 680 CA ASP A 46 -7.286 6.559 8.210 1.00 0.50 C ATOM 681 C ASP A 46 -7.240 5.337 7.283 1.00 0.45 C ATOM 682 O ASP A 46 -7.593 4.233 7.698 1.00 0.49 O ATOM 683 CB ASP A 46 -8.269 7.612 7.702 1.00 0.53 C ATOM 684 CG ASP A 46 -9.656 6.995 7.637 1.00 1.63 C ATOM 685 OD1 ASP A 46 -10.291 6.936 8.712 1.00 2.20 O ATOM 686 OD2 ASP A 46 -10.025 6.548 6.532 1.00 3.10 O ATOM 0 H ASP A 46 -5.879 8.116 8.157 1.00 0.47 H new ATOM 0 HA ASP A 46 -7.644 6.222 9.183 1.00 0.50 H new ATOM 0 HB2 ASP A 46 -8.271 8.477 8.365 1.00 0.53 H new ATOM 0 HB3 ASP A 46 -7.967 7.966 6.716 1.00 0.53 H new ATOM 691 N VAL A 47 -6.744 5.507 6.052 1.00 0.41 N ATOM 692 CA VAL A 47 -6.647 4.399 5.112 1.00 0.41 C ATOM 693 C VAL A 47 -5.840 3.256 5.734 1.00 0.44 C ATOM 694 O VAL A 47 -6.300 2.120 5.700 1.00 0.46 O ATOM 695 CB VAL A 47 -6.163 4.812 3.706 1.00 0.41 C ATOM 696 CG1 VAL A 47 -6.930 6.023 3.166 1.00 0.43 C ATOM 697 CG2 VAL A 47 -4.662 5.043 3.590 1.00 0.49 C ATOM 0 H VAL A 47 -6.407 6.399 5.690 1.00 0.41 H new ATOM 0 HA VAL A 47 -7.657 4.031 4.929 1.00 0.41 H new ATOM 0 HB VAL A 47 -6.383 3.944 3.085 1.00 0.41 H new ATOM 0 HG11 VAL A 47 -6.556 6.278 2.174 1.00 0.43 H new ATOM 0 HG12 VAL A 47 -7.991 5.783 3.103 1.00 0.43 H new ATOM 0 HG13 VAL A 47 -6.789 6.871 3.836 1.00 0.43 H new ATOM 0 HG21 VAL A 47 -4.416 5.329 2.567 1.00 0.49 H new ATOM 0 HG22 VAL A 47 -4.363 5.839 4.272 1.00 0.49 H new ATOM 0 HG23 VAL A 47 -4.132 4.126 3.848 1.00 0.49 H new ATOM 707 N PHE A 48 -4.690 3.548 6.359 1.00 0.46 N ATOM 708 CA PHE A 48 -3.941 2.556 7.126 1.00 0.53 C ATOM 709 C PHE A 48 -4.880 1.747 8.027 1.00 0.54 C ATOM 710 O PHE A 48 -4.892 0.527 7.928 1.00 0.58 O ATOM 711 CB PHE A 48 -2.783 3.203 7.911 1.00 0.64 C ATOM 712 CG PHE A 48 -2.414 2.497 9.204 1.00 1.71 C ATOM 713 CD1 PHE A 48 -1.900 1.189 9.160 1.00 2.68 C ATOM 714 CD2 PHE A 48 -2.848 3.029 10.433 1.00 3.12 C ATOM 715 CE1 PHE A 48 -1.915 0.388 10.314 1.00 4.06 C ATOM 716 CE2 PHE A 48 -2.911 2.211 11.575 1.00 4.56 C ATOM 717 CZ PHE A 48 -2.485 0.875 11.501 1.00 4.84 C ATOM 0 H PHE A 48 -4.260 4.473 6.344 1.00 0.46 H new ATOM 0 HA PHE A 48 -3.483 1.857 6.426 1.00 0.53 H new ATOM 0 HB2 PHE A 48 -1.903 3.238 7.269 1.00 0.64 H new ATOM 0 HB3 PHE A 48 -3.051 4.234 8.141 1.00 0.64 H new ATOM 0 HD1 PHE A 48 -1.493 0.800 8.238 1.00 2.68 H new ATOM 0 HD2 PHE A 48 -3.133 4.069 10.499 1.00 3.12 H new ATOM 0 HE1 PHE A 48 -1.488 -0.603 10.288 1.00 4.06 H new ATOM 0 HE2 PHE A 48 -3.286 2.609 12.506 1.00 4.56 H new ATOM 0 HZ PHE A 48 -2.596 0.224 12.355 1.00 4.84 H new ATOM 727 N ARG A 49 -5.693 2.395 8.864 1.00 0.55 N ATOM 728 CA ARG A 49 -6.608 1.677 9.749 1.00 0.59 C ATOM 729 C ARG A 49 -7.620 0.840 8.960 1.00 0.56 C ATOM 730 O ARG A 49 -7.897 -0.297 9.333 1.00 0.57 O ATOM 731 CB ARG A 49 -7.339 2.641 10.687 1.00 0.73 C ATOM 732 CG ARG A 49 -6.360 3.348 11.632 1.00 1.04 C ATOM 733 CD ARG A 49 -7.058 4.495 12.361 1.00 1.44 C ATOM 734 NE ARG A 49 -7.888 3.997 13.469 1.00 1.86 N ATOM 735 CZ ARG A 49 -8.597 4.792 14.286 1.00 2.48 C ATOM 736 NH1 ARG A 49 -8.754 6.086 13.979 1.00 3.02 N ATOM 737 NH2 ARG A 49 -9.123 4.297 15.410 1.00 3.22 N ATOM 0 H ARG A 49 -5.735 3.411 8.946 1.00 0.55 H new ATOM 0 HA ARG A 49 -6.003 0.998 10.349 1.00 0.59 H new ATOM 0 HB2 ARG A 49 -7.881 3.383 10.100 1.00 0.73 H new ATOM 0 HB3 ARG A 49 -8.079 2.093 11.270 1.00 0.73 H new ATOM 0 HG2 ARG A 49 -5.965 2.635 12.356 1.00 1.04 H new ATOM 0 HG3 ARG A 49 -5.511 3.731 11.066 1.00 1.04 H new ATOM 0 HD2 ARG A 49 -6.313 5.191 12.746 1.00 1.44 H new ATOM 0 HD3 ARG A 49 -7.680 5.050 11.659 1.00 1.44 H new ATOM 0 HE ARG A 49 -7.927 2.990 13.625 1.00 1.86 H new ATOM 0 HH11 ARG A 49 -8.336 6.463 13.128 1.00 3.02 H new ATOM 0 HH12 ARG A 49 -9.292 6.695 14.596 1.00 3.02 H new ATOM 0 HH21 ARG A 49 -8.986 3.315 15.648 1.00 3.22 H new ATOM 0 HH22 ARG A 49 -9.662 4.902 16.030 1.00 3.22 H new ATOM 751 N PHE A 50 -8.196 1.390 7.885 1.00 0.63 N ATOM 752 CA PHE A 50 -9.164 0.642 7.086 1.00 0.78 C ATOM 753 C PHE A 50 -8.512 -0.595 6.462 1.00 0.82 C ATOM 754 O PHE A 50 -9.152 -1.645 6.348 1.00 0.96 O ATOM 755 CB PHE A 50 -9.806 1.526 6.005 1.00 0.91 C ATOM 756 CG PHE A 50 -11.029 2.304 6.461 1.00 2.02 C ATOM 757 CD1 PHE A 50 -10.891 3.390 7.344 1.00 3.60 C ATOM 758 CD2 PHE A 50 -12.310 1.963 5.982 1.00 2.61 C ATOM 759 CE1 PHE A 50 -12.009 4.157 7.708 1.00 4.76 C ATOM 760 CE2 PHE A 50 -13.436 2.710 6.375 1.00 3.65 C ATOM 761 CZ PHE A 50 -13.282 3.824 7.216 1.00 4.51 C ATOM 0 H PHE A 50 -8.010 2.337 7.554 1.00 0.63 H new ATOM 0 HA PHE A 50 -9.959 0.311 7.754 1.00 0.78 H new ATOM 0 HB2 PHE A 50 -9.059 2.231 5.642 1.00 0.91 H new ATOM 0 HB3 PHE A 50 -10.087 0.897 5.161 1.00 0.91 H new ATOM 0 HD1 PHE A 50 -9.919 3.635 7.745 1.00 3.60 H new ATOM 0 HD2 PHE A 50 -12.428 1.125 5.311 1.00 2.61 H new ATOM 0 HE1 PHE A 50 -11.890 5.004 8.367 1.00 4.76 H new ATOM 0 HE2 PHE A 50 -14.419 2.426 6.030 1.00 3.65 H new ATOM 0 HZ PHE A 50 -14.140 4.423 7.484 1.00 4.51 H new ATOM 771 N ILE A 51 -7.261 -0.481 6.011 1.00 0.81 N ATOM 772 CA ILE A 51 -6.576 -1.545 5.308 1.00 1.05 C ATOM 773 C ILE A 51 -5.963 -2.571 6.273 1.00 0.88 C ATOM 774 O ILE A 51 -6.096 -3.768 6.008 1.00 1.29 O ATOM 775 CB ILE A 51 -5.610 -0.987 4.253 1.00 1.50 C ATOM 776 CG1 ILE A 51 -6.300 -0.042 3.243 1.00 1.93 C ATOM 777 CG2 ILE A 51 -4.975 -2.147 3.475 1.00 1.84 C ATOM 778 CD1 ILE A 51 -7.530 -0.626 2.542 1.00 2.14 C ATOM 0 H ILE A 51 -6.699 0.362 6.129 1.00 0.81 H new ATOM 0 HA ILE A 51 -7.312 -2.116 4.742 1.00 1.05 H new ATOM 0 HB ILE A 51 -4.858 -0.410 4.791 1.00 1.50 H new ATOM 0 HG12 ILE A 51 -6.596 0.868 3.765 1.00 1.93 H new ATOM 0 HG13 ILE A 51 -5.572 0.248 2.485 1.00 1.93 H new ATOM 0 HG21 ILE A 51 -4.289 -1.751 2.726 1.00 1.84 H new ATOM 0 HG22 ILE A 51 -4.428 -2.791 4.164 1.00 1.84 H new ATOM 0 HG23 ILE A 51 -5.756 -2.725 2.982 1.00 1.84 H new ATOM 0 HD11 ILE A 51 -7.942 0.113 1.854 1.00 2.14 H new ATOM 0 HD12 ILE A 51 -7.242 -1.518 1.986 1.00 2.14 H new ATOM 0 HD13 ILE A 51 -8.282 -0.889 3.286 1.00 2.14 H new ATOM 790 N ASP A 52 -5.378 -2.140 7.401 1.00 1.00 N ATOM 791 CA ASP A 52 -4.955 -2.994 8.517 1.00 0.98 C ATOM 792 C ASP A 52 -6.198 -3.637 9.120 1.00 1.15 C ATOM 793 O ASP A 52 -6.682 -3.258 10.181 1.00 1.98 O ATOM 794 CB ASP A 52 -4.152 -2.187 9.563 1.00 1.07 C ATOM 795 CG ASP A 52 -3.622 -2.967 10.781 1.00 1.08 C ATOM 796 OD1 ASP A 52 -3.754 -4.211 10.860 1.00 1.24 O ATOM 797 OD2 ASP A 52 -3.046 -2.306 11.671 1.00 1.92 O ATOM 0 H ASP A 52 -5.180 -1.153 7.565 1.00 1.00 H new ATOM 0 HA ASP A 52 -4.285 -3.776 8.160 1.00 0.98 H new ATOM 0 HB2 ASP A 52 -3.303 -1.726 9.058 1.00 1.07 H new ATOM 0 HB3 ASP A 52 -4.785 -1.377 9.927 1.00 1.07 H new ATOM 802 N ASN A 53 -6.741 -4.626 8.407 1.00 0.68 N ATOM 803 CA ASN A 53 -7.710 -5.549 8.973 1.00 0.67 C ATOM 804 C ASN A 53 -7.066 -6.147 10.220 1.00 1.11 C ATOM 805 O ASN A 53 -5.846 -6.139 10.325 1.00 3.21 O ATOM 806 CB ASN A 53 -8.074 -6.642 7.953 1.00 0.84 C ATOM 807 CG ASN A 53 -9.580 -6.880 7.876 1.00 1.14 C ATOM 808 OD1 ASN A 53 -10.346 -5.926 7.744 1.00 1.94 O ATOM 809 ND2 ASN A 53 -10.021 -8.131 7.882 1.00 1.09 N ATOM 0 H ASN A 53 -6.519 -4.804 7.427 1.00 0.68 H new ATOM 0 HA ASN A 53 -8.639 -5.040 9.229 1.00 0.67 H new ATOM 0 HB2 ASN A 53 -7.702 -6.357 6.969 1.00 0.84 H new ATOM 0 HB3 ASN A 53 -7.574 -7.572 8.225 1.00 0.84 H new ATOM 0 HD21 ASN A 53 -11.017 -8.321 7.775 1.00 1.09 H new ATOM 0 HD22 ASN A 53 -9.364 -8.903 7.993 1.00 1.09 H new ATOM 816 N ASP A 54 -7.853 -6.617 11.184 1.00 0.99 N ATOM 817 CA ASP A 54 -7.323 -7.081 12.465 1.00 0.78 C ATOM 818 C ASP A 54 -6.930 -5.912 13.382 1.00 0.68 C ATOM 819 O ASP A 54 -7.327 -5.897 14.545 1.00 1.04 O ATOM 820 CB ASP A 54 -6.224 -8.158 12.291 1.00 0.99 C ATOM 821 CG ASP A 54 -4.882 -7.782 12.915 1.00 1.56 C ATOM 822 OD1 ASP A 54 -4.084 -7.035 12.288 1.00 1.86 O ATOM 823 OD2 ASP A 54 -4.669 -8.225 14.059 1.00 3.11 O ATOM 0 H ASP A 54 -8.867 -6.687 11.102 1.00 0.99 H new ATOM 0 HA ASP A 54 -8.130 -7.593 12.990 1.00 0.78 H new ATOM 0 HB2 ASP A 54 -6.571 -9.091 12.735 1.00 0.99 H new ATOM 0 HB3 ASP A 54 -6.079 -8.346 11.227 1.00 0.99 H new ATOM 828 N GLN A 55 -6.202 -4.917 12.866 1.00 0.56 N ATOM 829 CA GLN A 55 -5.662 -3.818 13.658 1.00 0.84 C ATOM 830 C GLN A 55 -4.696 -4.353 14.725 1.00 0.90 C ATOM 831 O GLN A 55 -4.704 -3.910 15.872 1.00 1.21 O ATOM 832 CB GLN A 55 -6.761 -2.849 14.164 1.00 1.16 C ATOM 833 CG GLN A 55 -6.947 -1.680 13.180 1.00 2.46 C ATOM 834 CD GLN A 55 -8.153 -0.797 13.496 1.00 2.85 C ATOM 835 OE1 GLN A 55 -8.018 0.366 13.877 1.00 3.63 O ATOM 836 NE2 GLN A 55 -9.354 -1.338 13.309 1.00 2.88 N ATOM 0 H GLN A 55 -5.971 -4.855 11.874 1.00 0.56 H new ATOM 0 HA GLN A 55 -5.057 -3.178 13.016 1.00 0.84 H new ATOM 0 HB2 GLN A 55 -7.702 -3.387 14.281 1.00 1.16 H new ATOM 0 HB3 GLN A 55 -6.490 -2.464 15.147 1.00 1.16 H new ATOM 0 HG2 GLN A 55 -6.047 -1.066 13.185 1.00 2.46 H new ATOM 0 HG3 GLN A 55 -7.055 -2.079 12.171 1.00 2.46 H new ATOM 0 HE21 GLN A 55 -9.434 -2.304 12.993 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -10.194 -0.786 13.482 1.00 2.88 H new ATOM 845 N SER A 56 -3.803 -5.263 14.314 1.00 0.89 N ATOM 846 CA SER A 56 -2.723 -5.798 15.137 1.00 1.12 C ATOM 847 C SER A 56 -1.875 -4.677 15.734 1.00 1.21 C ATOM 848 O SER A 56 -1.307 -4.835 16.813 1.00 1.65 O ATOM 849 CB SER A 56 -1.817 -6.747 14.324 1.00 1.14 C ATOM 850 OG SER A 56 -1.327 -6.168 13.118 1.00 1.02 O ATOM 0 H SER A 56 -3.817 -5.655 13.372 1.00 0.89 H new ATOM 0 HA SER A 56 -3.188 -6.360 15.947 1.00 1.12 H new ATOM 0 HB2 SER A 56 -0.972 -7.049 14.943 1.00 1.14 H new ATOM 0 HB3 SER A 56 -2.375 -7.652 14.083 1.00 1.14 H new ATOM 856 N GLY A 57 -1.737 -3.578 14.987 1.00 1.05 N ATOM 857 CA GLY A 57 -0.772 -2.526 15.246 1.00 1.32 C ATOM 858 C GLY A 57 0.145 -2.361 14.035 1.00 0.98 C ATOM 859 O GLY A 57 0.736 -1.297 13.852 1.00 1.43 O ATOM 0 H GLY A 57 -2.313 -3.398 14.165 1.00 1.05 H new ATOM 0 HA2 GLY A 57 -1.288 -1.589 15.454 1.00 1.32 H new ATOM 0 HA3 GLY A 57 -0.183 -2.769 16.130 1.00 1.32 H new ATOM 863 N TYR A 58 0.276 -3.418 13.223 1.00 0.71 N ATOM 864 CA TYR A 58 1.168 -3.451 12.079 1.00 0.90 C ATOM 865 C TYR A 58 0.398 -3.846 10.826 1.00 0.98 C ATOM 866 O TYR A 58 -0.585 -4.589 10.896 1.00 0.98 O ATOM 867 CB TYR A 58 2.345 -4.401 12.358 1.00 1.15 C ATOM 868 CG TYR A 58 3.217 -3.988 13.534 1.00 1.08 C ATOM 869 CD1 TYR A 58 2.799 -4.248 14.853 1.00 1.91 C ATOM 870 CD2 TYR A 58 4.415 -3.281 13.315 1.00 2.37 C ATOM 871 CE1 TYR A 58 3.508 -3.704 15.939 1.00 2.19 C ATOM 872 CE2 TYR A 58 5.120 -2.731 14.400 1.00 2.36 C ATOM 873 CZ TYR A 58 4.650 -2.919 15.709 1.00 1.50 C ATOM 874 OH TYR A 58 5.328 -2.369 16.756 1.00 1.86 O ATOM 0 H TYR A 58 -0.248 -4.284 13.353 1.00 0.71 H new ATOM 0 HA TYR A 58 1.581 -2.457 11.908 1.00 0.90 H new ATOM 0 HB2 TYR A 58 1.953 -5.401 12.545 1.00 1.15 H new ATOM 0 HB3 TYR A 58 2.966 -4.464 11.464 1.00 1.15 H new ATOM 0 HD1 TYR A 58 1.932 -4.867 15.031 1.00 1.91 H new ATOM 0 HD2 TYR A 58 4.793 -3.161 12.311 1.00 2.37 H new ATOM 0 HE1 TYR A 58 3.175 -3.890 16.949 1.00 2.19 H new ATOM 0 HE2 TYR A 58 6.023 -2.164 14.226 1.00 2.36 H new ATOM 0 HH TYR A 58 6.093 -1.858 16.418 1.00 1.86 H new ATOM 884 N LEU A 59 0.896 -3.368 9.684 1.00 1.07 N ATOM 885 CA LEU A 59 0.726 -4.025 8.404 1.00 0.90 C ATOM 886 C LEU A 59 1.774 -5.128 8.376 1.00 0.86 C ATOM 887 O LEU A 59 2.890 -4.978 7.879 1.00 0.84 O ATOM 888 CB LEU A 59 0.844 -3.026 7.248 1.00 0.87 C ATOM 889 CG LEU A 59 -0.448 -2.199 7.130 1.00 1.02 C ATOM 890 CD1 LEU A 59 -0.166 -0.877 6.417 1.00 2.61 C ATOM 891 CD2 LEU A 59 -1.529 -2.953 6.344 1.00 2.40 C ATOM 0 H LEU A 59 1.434 -2.503 9.630 1.00 1.07 H new ATOM 0 HA LEU A 59 -0.268 -4.454 8.279 1.00 0.90 H new ATOM 0 HB2 LEU A 59 1.694 -2.365 7.414 1.00 0.87 H new ATOM 0 HB3 LEU A 59 1.031 -3.558 6.315 1.00 0.87 H new ATOM 0 HG LEU A 59 -0.807 -2.015 8.143 1.00 1.02 H new ATOM 0 HD11 LEU A 59 -1.088 -0.301 6.340 1.00 2.61 H new ATOM 0 HD12 LEU A 59 0.571 -0.308 6.984 1.00 2.61 H new ATOM 0 HD13 LEU A 59 0.221 -1.078 5.418 1.00 2.61 H new ATOM 0 HD21 LEU A 59 -2.427 -2.339 6.280 1.00 2.40 H new ATOM 0 HD22 LEU A 59 -1.165 -3.168 5.339 1.00 2.40 H new ATOM 0 HD23 LEU A 59 -1.764 -3.888 6.853 1.00 2.40 H new ATOM 903 N ASP A 60 1.394 -6.228 9.012 1.00 0.96 N ATOM 904 CA ASP A 60 2.118 -7.486 9.033 1.00 1.00 C ATOM 905 C ASP A 60 2.138 -8.063 7.596 1.00 0.88 C ATOM 906 O ASP A 60 1.194 -7.839 6.842 1.00 0.81 O ATOM 907 CB ASP A 60 1.466 -8.433 10.072 1.00 1.18 C ATOM 908 CG ASP A 60 0.466 -7.778 11.052 1.00 1.81 C ATOM 909 OD1 ASP A 60 -0.605 -7.300 10.598 1.00 2.38 O ATOM 910 OD2 ASP A 60 0.762 -7.677 12.261 1.00 2.36 O ATOM 0 H ASP A 60 0.530 -6.266 9.553 1.00 0.96 H new ATOM 0 HA ASP A 60 3.154 -7.352 9.344 1.00 1.00 H new ATOM 0 HB2 ASP A 60 0.950 -9.229 9.535 1.00 1.18 H new ATOM 0 HB3 ASP A 60 2.259 -8.903 10.654 1.00 1.18 H new ATOM 915 N GLU A 61 3.197 -8.771 7.175 1.00 0.93 N ATOM 916 CA GLU A 61 3.407 -9.207 5.794 1.00 0.90 C ATOM 917 C GLU A 61 2.167 -9.808 5.127 1.00 0.78 C ATOM 918 O GLU A 61 1.704 -9.322 4.091 1.00 0.83 O ATOM 919 CB GLU A 61 4.603 -10.167 5.774 1.00 1.06 C ATOM 920 CG GLU A 61 5.224 -10.241 4.378 1.00 1.53 C ATOM 921 CD GLU A 61 4.965 -11.571 3.678 1.00 2.70 C ATOM 922 OE1 GLU A 61 5.320 -12.604 4.284 1.00 3.15 O ATOM 923 OE2 GLU A 61 4.407 -11.531 2.561 1.00 3.89 O ATOM 0 H GLU A 61 3.946 -9.061 7.803 1.00 0.93 H new ATOM 0 HA GLU A 61 3.619 -8.326 5.189 1.00 0.90 H new ATOM 0 HB2 GLU A 61 5.353 -9.835 6.492 1.00 1.06 H new ATOM 0 HB3 GLU A 61 4.281 -11.161 6.086 1.00 1.06 H new ATOM 0 HG2 GLU A 61 4.826 -9.432 3.766 1.00 1.53 H new ATOM 0 HG3 GLU A 61 6.299 -10.082 4.456 1.00 1.53 H new ATOM 930 N GLU A 62 1.603 -10.839 5.762 1.00 0.73 N ATOM 931 CA GLU A 62 0.409 -11.524 5.291 1.00 0.76 C ATOM 932 C GLU A 62 -0.724 -10.537 4.989 1.00 0.74 C ATOM 933 O GLU A 62 -1.537 -10.770 4.101 1.00 0.82 O ATOM 934 CB GLU A 62 -0.021 -12.556 6.348 1.00 1.02 C ATOM 935 CG GLU A 62 -1.068 -13.533 5.798 1.00 1.52 C ATOM 936 CD GLU A 62 -1.556 -14.522 6.846 1.00 2.32 C ATOM 937 OE1 GLU A 62 -1.885 -14.059 7.958 1.00 3.62 O ATOM 938 OE2 GLU A 62 -1.598 -15.721 6.496 1.00 2.73 O ATOM 0 H GLU A 62 1.974 -11.223 6.631 1.00 0.73 H new ATOM 0 HA GLU A 62 0.637 -12.035 4.355 1.00 0.76 H new ATOM 0 HB2 GLU A 62 0.852 -13.113 6.689 1.00 1.02 H new ATOM 0 HB3 GLU A 62 -0.428 -12.038 7.217 1.00 1.02 H new ATOM 0 HG2 GLU A 62 -1.918 -12.969 5.413 1.00 1.52 H new ATOM 0 HG3 GLU A 62 -0.642 -14.081 4.958 1.00 1.52 H new ATOM 945 N GLU A 63 -0.775 -9.420 5.709 1.00 0.75 N ATOM 946 CA GLU A 63 -1.775 -8.400 5.498 1.00 0.80 C ATOM 947 C GLU A 63 -1.558 -7.711 4.158 1.00 0.72 C ATOM 948 O GLU A 63 -2.499 -7.529 3.383 1.00 0.73 O ATOM 949 CB GLU A 63 -1.712 -7.422 6.664 1.00 0.95 C ATOM 950 CG GLU A 63 -3.065 -6.785 6.963 1.00 2.14 C ATOM 951 CD GLU A 63 -3.034 -6.427 8.418 1.00 2.07 C ATOM 952 OE1 GLU A 63 -3.422 -7.254 9.265 1.00 2.11 O ATOM 953 OE2 GLU A 63 -2.427 -5.409 8.789 1.00 2.90 O ATOM 0 H GLU A 63 -0.116 -9.204 6.457 1.00 0.75 H new ATOM 0 HA GLU A 63 -2.771 -8.841 5.462 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.354 -7.943 7.552 1.00 0.95 H new ATOM 0 HB3 GLU A 63 -0.987 -6.640 6.440 1.00 0.95 H new ATOM 0 HG2 GLU A 63 -3.226 -5.901 6.346 1.00 2.14 H new ATOM 0 HG3 GLU A 63 -3.879 -7.477 6.748 1.00 2.14 H new ATOM 960 N LEU A 64 -0.309 -7.343 3.849 1.00 0.75 N ATOM 961 CA LEU A 64 -0.043 -6.716 2.564 1.00 0.88 C ATOM 962 C LEU A 64 -0.350 -7.692 1.428 1.00 0.75 C ATOM 963 O LEU A 64 -0.808 -7.282 0.362 1.00 1.08 O ATOM 964 CB LEU A 64 1.360 -6.107 2.457 1.00 1.21 C ATOM 965 CG LEU A 64 1.306 -4.776 1.674 1.00 1.96 C ATOM 966 CD1 LEU A 64 1.177 -3.606 2.657 1.00 2.90 C ATOM 967 CD2 LEU A 64 2.490 -4.539 0.730 1.00 2.37 C ATOM 0 H LEU A 64 0.504 -7.466 4.453 1.00 0.75 H new ATOM 0 HA LEU A 64 -0.717 -5.864 2.474 1.00 0.88 H new ATOM 0 HB2 LEU A 64 1.767 -5.935 3.454 1.00 1.21 H new ATOM 0 HB3 LEU A 64 2.030 -6.805 1.956 1.00 1.21 H new ATOM 0 HG LEU A 64 0.430 -4.844 1.030 1.00 1.96 H new ATOM 0 HD11 LEU A 64 1.139 -2.668 2.103 1.00 2.90 H new ATOM 0 HD12 LEU A 64 0.263 -3.720 3.241 1.00 2.90 H new ATOM 0 HD13 LEU A 64 2.037 -3.597 3.327 1.00 2.90 H new ATOM 0 HD21 LEU A 64 2.366 -3.582 0.224 1.00 2.37 H new ATOM 0 HD22 LEU A 64 3.417 -4.529 1.304 1.00 2.37 H new ATOM 0 HD23 LEU A 64 2.531 -5.338 -0.010 1.00 2.37 H new ATOM 979 N LYS A 65 -0.180 -8.992 1.696 1.00 0.62 N ATOM 980 CA LYS A 65 -0.591 -10.084 0.818 1.00 0.64 C ATOM 981 C LYS A 65 -2.097 -10.068 0.481 1.00 0.64 C ATOM 982 O LYS A 65 -2.525 -10.871 -0.346 1.00 1.02 O ATOM 983 CB LYS A 65 -0.174 -11.420 1.456 1.00 0.92 C ATOM 984 CG LYS A 65 0.205 -12.532 0.468 1.00 1.37 C ATOM 985 CD LYS A 65 0.954 -13.666 1.198 1.00 1.88 C ATOM 986 CE LYS A 65 0.136 -14.385 2.288 1.00 2.05 C ATOM 987 NZ LYS A 65 -0.835 -15.355 1.746 1.00 1.90 N ATOM 0 H LYS A 65 0.261 -9.318 2.556 1.00 0.62 H new ATOM 0 HA LYS A 65 -0.084 -9.952 -0.138 1.00 0.64 H new ATOM 0 HB2 LYS A 65 0.675 -11.239 2.116 1.00 0.92 H new ATOM 0 HB3 LYS A 65 -0.993 -11.776 2.081 1.00 0.92 H new ATOM 0 HG2 LYS A 65 -0.693 -12.927 -0.007 1.00 1.37 H new ATOM 0 HG3 LYS A 65 0.832 -12.125 -0.325 1.00 1.37 H new ATOM 0 HD2 LYS A 65 1.277 -14.402 0.461 1.00 1.88 H new ATOM 0 HD3 LYS A 65 1.855 -13.253 1.653 1.00 1.88 H new ATOM 0 HE2 LYS A 65 0.818 -14.903 2.962 1.00 2.05 H new ATOM 0 HE3 LYS A 65 -0.396 -13.642 2.882 1.00 2.05 H new ATOM 0 HZ1 LYS A 65 -1.352 -15.803 2.529 1.00 1.90 H new ATOM 0 HZ2 LYS A 65 -1.508 -14.862 1.124 1.00 1.90 H new ATOM 0 HZ3 LYS A 65 -0.331 -16.084 1.202 1.00 1.90 H new ATOM 1001 N PHE A 66 -2.907 -9.181 1.081 1.00 0.51 N ATOM 1002 CA PHE A 66 -4.262 -8.881 0.616 1.00 0.69 C ATOM 1003 C PHE A 66 -4.575 -7.374 0.654 1.00 0.86 C ATOM 1004 O PHE A 66 -5.738 -6.991 0.758 1.00 1.32 O ATOM 1005 CB PHE A 66 -5.289 -9.728 1.388 1.00 0.89 C ATOM 1006 CG PHE A 66 -5.232 -9.646 2.906 1.00 1.63 C ATOM 1007 CD1 PHE A 66 -5.890 -8.605 3.592 1.00 3.19 C ATOM 1008 CD2 PHE A 66 -4.602 -10.668 3.641 1.00 3.15 C ATOM 1009 CE1 PHE A 66 -5.917 -8.591 4.998 1.00 4.72 C ATOM 1010 CE2 PHE A 66 -4.669 -10.677 5.046 1.00 4.51 C ATOM 1011 CZ PHE A 66 -5.331 -9.641 5.725 1.00 5.02 C ATOM 0 H PHE A 66 -2.634 -8.650 1.908 1.00 0.51 H new ATOM 0 HA PHE A 66 -4.331 -9.159 -0.436 1.00 0.69 H new ATOM 0 HB2 PHE A 66 -6.287 -9.430 1.067 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -5.159 -10.770 1.097 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -6.375 -7.816 3.036 1.00 3.19 H new ATOM 0 HD2 PHE A 66 -4.065 -11.449 3.124 1.00 3.15 H new ATOM 0 HE1 PHE A 66 -6.389 -7.772 5.520 1.00 4.72 H new ATOM 0 HE2 PHE A 66 -4.211 -11.481 5.603 1.00 4.51 H new ATOM 0 HZ PHE A 66 -5.390 -9.651 6.803 1.00 5.02 H new ATOM 1021 N PHE A 67 -3.558 -6.511 0.526 1.00 0.65 N ATOM 1022 CA PHE A 67 -3.687 -5.054 0.623 1.00 0.79 C ATOM 1023 C PHE A 67 -4.747 -4.501 -0.332 1.00 0.87 C ATOM 1024 O PHE A 67 -5.830 -4.092 0.090 1.00 1.03 O ATOM 1025 CB PHE A 67 -2.308 -4.412 0.386 1.00 0.86 C ATOM 1026 CG PHE A 67 -2.245 -2.907 0.197 1.00 1.10 C ATOM 1027 CD1 PHE A 67 -2.245 -2.056 1.318 1.00 1.58 C ATOM 1028 CD2 PHE A 67 -2.000 -2.364 -1.079 1.00 2.58 C ATOM 1029 CE1 PHE A 67 -2.174 -0.662 1.149 1.00 1.68 C ATOM 1030 CE2 PHE A 67 -1.889 -0.972 -1.246 1.00 2.81 C ATOM 1031 CZ PHE A 67 -2.015 -0.118 -0.138 1.00 1.66 C ATOM 0 H PHE A 67 -2.601 -6.816 0.348 1.00 0.65 H new ATOM 0 HA PHE A 67 -4.032 -4.798 1.625 1.00 0.79 H new ATOM 0 HB2 PHE A 67 -1.670 -4.669 1.232 1.00 0.86 H new ATOM 0 HB3 PHE A 67 -1.870 -4.878 -0.497 1.00 0.86 H new ATOM 0 HD1 PHE A 67 -2.300 -2.475 2.312 1.00 1.58 H new ATOM 0 HD2 PHE A 67 -1.897 -3.018 -1.932 1.00 2.58 H new ATOM 0 HE1 PHE A 67 -2.242 -0.009 2.007 1.00 1.68 H new ATOM 0 HE2 PHE A 67 -1.707 -0.559 -2.227 1.00 2.81 H new ATOM 0 HZ PHE A 67 -1.990 0.953 -0.274 1.00 1.66 H new ATOM 1041 N LEU A 68 -4.435 -4.474 -1.630 1.00 0.79 N ATOM 1042 CA LEU A 68 -5.261 -3.819 -2.633 1.00 0.80 C ATOM 1043 C LEU A 68 -6.587 -4.596 -2.774 1.00 0.74 C ATOM 1044 O LEU A 68 -7.634 -4.025 -3.079 1.00 0.72 O ATOM 1045 CB LEU A 68 -4.418 -3.724 -3.917 1.00 0.86 C ATOM 1046 CG LEU A 68 -4.678 -2.546 -4.872 1.00 1.76 C ATOM 1047 CD1 LEU A 68 -6.149 -2.386 -5.253 1.00 3.87 C ATOM 1048 CD2 LEU A 68 -4.146 -1.225 -4.302 1.00 1.79 C ATOM 0 H LEU A 68 -3.596 -4.910 -2.011 1.00 0.79 H new ATOM 0 HA LEU A 68 -5.553 -2.804 -2.364 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -3.369 -3.690 -3.624 1.00 0.86 H new ATOM 0 HB3 LEU A 68 -4.563 -4.647 -4.479 1.00 0.86 H new ATOM 0 HG LEU A 68 -4.131 -2.791 -5.782 1.00 1.76 H new ATOM 0 HD11 LEU A 68 -6.260 -1.537 -5.928 1.00 3.87 H new ATOM 0 HD12 LEU A 68 -6.497 -3.292 -5.749 1.00 3.87 H new ATOM 0 HD13 LEU A 68 -6.741 -2.215 -4.354 1.00 3.87 H new ATOM 0 HD21 LEU A 68 -4.349 -0.417 -5.005 1.00 1.79 H new ATOM 0 HD22 LEU A 68 -4.640 -1.013 -3.354 1.00 1.79 H new ATOM 0 HD23 LEU A 68 -3.071 -1.305 -4.141 1.00 1.79 H new ATOM 1060 N GLN A 69 -6.553 -5.892 -2.451 1.00 0.80 N ATOM 1061 CA GLN A 69 -7.685 -6.807 -2.388 1.00 0.75 C ATOM 1062 C GLN A 69 -8.805 -6.242 -1.517 1.00 0.79 C ATOM 1063 O GLN A 69 -9.975 -6.404 -1.846 1.00 0.99 O ATOM 1064 CB GLN A 69 -7.220 -8.175 -1.849 1.00 0.75 C ATOM 1065 CG GLN A 69 -7.721 -9.357 -2.688 1.00 1.45 C ATOM 1066 CD GLN A 69 -6.961 -10.632 -2.326 1.00 1.88 C ATOM 1067 OE1 GLN A 69 -7.325 -11.324 -1.380 1.00 2.82 O ATOM 1068 NE2 GLN A 69 -5.888 -10.949 -3.046 1.00 2.48 N ATOM 0 H GLN A 69 -5.676 -6.355 -2.212 1.00 0.80 H new ATOM 0 HA GLN A 69 -8.082 -6.934 -3.395 1.00 0.75 H new ATOM 0 HB2 GLN A 69 -6.131 -8.195 -1.819 1.00 0.75 H new ATOM 0 HB3 GLN A 69 -7.569 -8.292 -0.823 1.00 0.75 H new ATOM 0 HG2 GLN A 69 -8.788 -9.503 -2.520 1.00 1.45 H new ATOM 0 HG3 GLN A 69 -7.592 -9.138 -3.748 1.00 1.45 H new ATOM 0 HE21 GLN A 69 -5.606 -10.358 -3.828 1.00 2.48 H new ATOM 0 HE22 GLN A 69 -5.348 -11.783 -2.816 1.00 2.48 H new ATOM 1077 N LYS A 70 -8.463 -5.577 -0.407 1.00 0.87 N ATOM 1078 CA LYS A 70 -9.473 -4.942 0.433 1.00 1.03 C ATOM 1079 C LYS A 70 -10.211 -3.828 -0.312 1.00 1.08 C ATOM 1080 O LYS A 70 -11.353 -3.513 0.016 1.00 1.42 O ATOM 1081 CB LYS A 70 -8.832 -4.350 1.688 1.00 1.16 C ATOM 1082 CG LYS A 70 -8.128 -5.411 2.539 1.00 1.68 C ATOM 1083 CD LYS A 70 -8.035 -4.959 3.994 1.00 1.11 C ATOM 1084 CE LYS A 70 -9.362 -5.060 4.760 1.00 1.60 C ATOM 1085 NZ LYS A 70 -9.343 -4.233 5.985 1.00 3.18 N ATOM 0 H LYS A 70 -7.504 -5.468 -0.076 1.00 0.87 H new ATOM 0 HA LYS A 70 -10.189 -5.716 0.708 1.00 1.03 H new ATOM 0 HB2 LYS A 70 -8.113 -3.584 1.399 1.00 1.16 H new ATOM 0 HB3 LYS A 70 -9.598 -3.858 2.287 1.00 1.16 H new ATOM 0 HG2 LYS A 70 -8.673 -6.353 2.479 1.00 1.68 H new ATOM 0 HG3 LYS A 70 -7.128 -5.596 2.146 1.00 1.68 H new ATOM 0 HD2 LYS A 70 -7.284 -5.562 4.505 1.00 1.11 H new ATOM 0 HD3 LYS A 70 -7.687 -3.926 4.022 1.00 1.11 H new ATOM 0 HE2 LYS A 70 -10.181 -4.740 4.116 1.00 1.60 H new ATOM 0 HE3 LYS A 70 -9.553 -6.100 5.024 1.00 1.60 H new ATOM 0 HZ1 LYS A 70 -10.067 -4.577 6.648 1.00 3.18 H new ATOM 0 HZ2 LYS A 70 -8.406 -4.296 6.432 1.00 3.18 H new ATOM 0 HZ3 LYS A 70 -9.543 -3.243 5.738 1.00 3.18 H new ATOM 1099 N PHE A 71 -9.530 -3.192 -1.264 1.00 0.95 N ATOM 1100 CA PHE A 71 -10.060 -2.093 -2.047 1.00 1.11 C ATOM 1101 C PHE A 71 -10.953 -2.657 -3.148 1.00 1.32 C ATOM 1102 O PHE A 71 -12.104 -2.251 -3.286 1.00 1.58 O ATOM 1103 CB PHE A 71 -8.885 -1.309 -2.652 1.00 1.15 C ATOM 1104 CG PHE A 71 -9.082 0.181 -2.792 1.00 2.07 C ATOM 1105 CD1 PHE A 71 -10.261 0.700 -3.360 1.00 4.04 C ATOM 1106 CD2 PHE A 71 -8.028 1.048 -2.450 1.00 2.28 C ATOM 1107 CE1 PHE A 71 -10.407 2.085 -3.523 1.00 5.37 C ATOM 1108 CE2 PHE A 71 -8.188 2.434 -2.588 1.00 3.61 C ATOM 1109 CZ PHE A 71 -9.395 2.952 -3.087 1.00 4.96 C ATOM 0 H PHE A 71 -8.572 -3.438 -1.513 1.00 0.95 H new ATOM 0 HA PHE A 71 -10.651 -1.423 -1.423 1.00 1.11 H new ATOM 0 HB2 PHE A 71 -8.003 -1.482 -2.035 1.00 1.15 H new ATOM 0 HB3 PHE A 71 -8.670 -1.721 -3.638 1.00 1.15 H new ATOM 0 HD1 PHE A 71 -11.052 0.033 -3.670 1.00 4.04 H new ATOM 0 HD2 PHE A 71 -7.096 0.646 -2.081 1.00 2.28 H new ATOM 0 HE1 PHE A 71 -11.298 2.484 -3.984 1.00 5.37 H new ATOM 0 HE2 PHE A 71 -7.386 3.102 -2.311 1.00 3.61 H new ATOM 0 HZ PHE A 71 -9.544 4.021 -3.135 1.00 4.96 H new ATOM 1119 N GLU A 72 -10.376 -3.548 -3.960 1.00 1.27 N ATOM 1120 CA GLU A 72 -11.012 -4.106 -5.141 1.00 1.49 C ATOM 1121 C GLU A 72 -11.453 -5.537 -4.811 1.00 1.78 C ATOM 1122 O GLU A 72 -12.193 -5.728 -3.848 1.00 3.04 O ATOM 1123 CB GLU A 72 -10.024 -3.962 -6.311 1.00 1.51 C ATOM 1124 CG GLU A 72 -10.674 -4.204 -7.684 1.00 1.85 C ATOM 1125 CD GLU A 72 -9.908 -5.232 -8.500 1.00 2.82 C ATOM 1126 OE1 GLU A 72 -9.576 -6.269 -7.882 1.00 4.16 O ATOM 1127 OE2 GLU A 72 -9.671 -4.970 -9.695 1.00 3.48 O ATOM 0 H GLU A 72 -9.433 -3.904 -3.805 1.00 1.27 H new ATOM 0 HA GLU A 72 -11.919 -3.585 -5.447 1.00 1.49 H new ATOM 0 HB2 GLU A 72 -9.591 -2.962 -6.292 1.00 1.51 H new ATOM 0 HB3 GLU A 72 -9.204 -4.667 -6.175 1.00 1.51 H new ATOM 0 HG2 GLU A 72 -11.701 -4.543 -7.545 1.00 1.85 H new ATOM 0 HG3 GLU A 72 -10.720 -3.264 -8.235 1.00 1.85 H new ATOM 1134 N SER A 73 -11.015 -6.545 -5.573 1.00 1.30 N ATOM 1135 CA SER A 73 -11.322 -7.938 -5.255 1.00 1.37 C ATOM 1136 C SER A 73 -10.372 -9.001 -5.832 1.00 1.69 C ATOM 1137 O SER A 73 -10.511 -10.170 -5.471 1.00 2.73 O ATOM 1138 CB SER A 73 -12.793 -8.242 -5.579 1.00 1.55 C ATOM 1139 OG SER A 73 -13.122 -7.826 -6.892 1.00 2.31 O ATOM 0 H SER A 73 -10.448 -6.420 -6.412 1.00 1.30 H new ATOM 0 HA SER A 73 -11.149 -8.024 -4.182 1.00 1.37 H new ATOM 0 HB2 SER A 73 -12.978 -9.311 -5.476 1.00 1.55 H new ATOM 0 HB3 SER A 73 -13.439 -7.736 -4.861 1.00 1.55 H new ATOM 0 HG SER A 73 -14.063 -8.032 -7.074 1.00 2.31 H new ATOM 1145 N GLY A 74 -9.395 -8.654 -6.672 1.00 1.38 N ATOM 1146 CA GLY A 74 -8.409 -9.588 -7.178 1.00 1.78 C ATOM 1147 C GLY A 74 -7.318 -8.794 -7.880 1.00 1.56 C ATOM 1148 O GLY A 74 -7.187 -8.889 -9.099 1.00 1.87 O ATOM 0 H GLY A 74 -9.272 -7.703 -7.019 1.00 1.38 H new ATOM 0 HA2 GLY A 74 -7.987 -10.174 -6.362 1.00 1.78 H new ATOM 0 HA3 GLY A 74 -8.872 -10.292 -7.870 1.00 1.78 H new ATOM 1152 N ALA A 75 -6.557 -7.993 -7.125 1.00 1.21 N ATOM 1153 CA ALA A 75 -5.621 -7.057 -7.717 1.00 1.19 C ATOM 1154 C ALA A 75 -4.267 -7.743 -7.916 1.00 1.12 C ATOM 1155 O ALA A 75 -4.118 -8.552 -8.831 1.00 1.74 O ATOM 1156 CB ALA A 75 -5.588 -5.778 -6.873 1.00 1.14 C ATOM 0 H ALA A 75 -6.578 -7.981 -6.105 1.00 1.21 H new ATOM 0 HA ALA A 75 -5.934 -6.745 -8.713 1.00 1.19 H new ATOM 0 HB1 ALA A 75 -4.886 -5.070 -7.313 1.00 1.14 H new ATOM 0 HB2 ALA A 75 -6.583 -5.334 -6.847 1.00 1.14 H new ATOM 0 HB3 ALA A 75 -5.272 -6.020 -5.858 1.00 1.14 H new ATOM 1162 N ARG A 76 -3.257 -7.421 -7.103 1.00 0.89 N ATOM 1163 CA ARG A 76 -1.910 -7.939 -7.302 1.00 0.72 C ATOM 1164 C ARG A 76 -1.174 -8.037 -5.970 1.00 0.46 C ATOM 1165 O ARG A 76 -0.047 -7.577 -5.810 1.00 1.46 O ATOM 1166 CB ARG A 76 -1.182 -7.029 -8.296 1.00 1.15 C ATOM 1167 CG ARG A 76 0.073 -7.689 -8.864 1.00 1.05 C ATOM 1168 CD ARG A 76 -0.244 -8.420 -10.180 1.00 1.43 C ATOM 1169 NE ARG A 76 0.995 -8.945 -10.755 1.00 2.37 N ATOM 1170 CZ ARG A 76 1.160 -9.952 -11.620 1.00 3.70 C ATOM 1171 NH1 ARG A 76 0.112 -10.491 -12.250 1.00 4.42 N ATOM 1172 NH2 ARG A 76 2.397 -10.408 -11.828 1.00 4.68 N ATOM 0 H ARG A 76 -3.352 -6.801 -6.299 1.00 0.89 H new ATOM 0 HA ARG A 76 -1.948 -8.948 -7.713 1.00 0.72 H new ATOM 0 HB2 ARG A 76 -1.857 -6.771 -9.112 1.00 1.15 H new ATOM 0 HB3 ARG A 76 -0.909 -6.097 -7.801 1.00 1.15 H new ATOM 0 HG2 ARG A 76 0.840 -6.934 -9.037 1.00 1.05 H new ATOM 0 HG3 ARG A 76 0.478 -8.395 -8.139 1.00 1.05 H new ATOM 0 HD2 ARG A 76 -0.946 -9.233 -9.997 1.00 1.43 H new ATOM 0 HD3 ARG A 76 -0.723 -7.737 -10.882 1.00 1.43 H new ATOM 0 HE ARG A 76 1.851 -8.479 -10.455 1.00 2.37 H new ATOM 0 HH11 ARG A 76 -0.827 -10.135 -12.074 1.00 4.42 H new ATOM 0 HH12 ARG A 76 0.252 -11.258 -12.907 1.00 4.42 H new ATOM 0 HH21 ARG A 76 3.185 -9.990 -11.333 1.00 4.68 H new ATOM 0 HH22 ARG A 76 2.555 -11.175 -12.482 1.00 4.68 H new ATOM 1186 N GLU A 77 -1.845 -8.667 -5.017 1.00 0.72 N ATOM 1187 CA GLU A 77 -1.374 -8.925 -3.673 1.00 0.58 C ATOM 1188 C GLU A 77 -0.780 -10.339 -3.616 1.00 0.48 C ATOM 1189 O GLU A 77 -0.045 -10.689 -2.698 1.00 0.63 O ATOM 1190 CB GLU A 77 -2.563 -8.763 -2.714 1.00 0.74 C ATOM 1191 CG GLU A 77 -3.624 -7.750 -3.193 1.00 1.27 C ATOM 1192 CD GLU A 77 -4.633 -8.342 -4.186 1.00 3.53 C ATOM 1193 OE1 GLU A 77 -4.370 -9.454 -4.693 1.00 4.77 O ATOM 1194 OE2 GLU A 77 -5.664 -7.698 -4.449 1.00 4.71 O ATOM 0 H GLU A 77 -2.785 -9.030 -5.174 1.00 0.72 H new ATOM 0 HA GLU A 77 -0.592 -8.225 -3.380 1.00 0.58 H new ATOM 0 HB2 GLU A 77 -3.039 -9.734 -2.575 1.00 0.74 H new ATOM 0 HB3 GLU A 77 -2.190 -8.449 -1.739 1.00 0.74 H new ATOM 0 HG2 GLU A 77 -4.162 -7.364 -2.328 1.00 1.27 H new ATOM 0 HG3 GLU A 77 -3.121 -6.903 -3.660 1.00 1.27 H new ATOM 1201 N LEU A 78 -1.130 -11.161 -4.612 1.00 0.55 N ATOM 1202 CA LEU A 78 -0.691 -12.535 -4.730 1.00 0.60 C ATOM 1203 C LEU A 78 0.788 -12.597 -5.105 1.00 0.56 C ATOM 1204 O LEU A 78 1.502 -13.436 -4.558 1.00 0.65 O ATOM 1205 CB LEU A 78 -1.539 -13.319 -5.747 1.00 0.79 C ATOM 1206 CG LEU A 78 -3.068 -13.288 -5.551 1.00 1.04 C ATOM 1207 CD1 LEU A 78 -3.510 -13.132 -4.091 1.00 1.05 C ATOM 1208 CD2 LEU A 78 -3.734 -12.237 -6.453 1.00 1.15 C ATOM 0 H LEU A 78 -1.743 -10.870 -5.373 1.00 0.55 H new ATOM 0 HA LEU A 78 -0.826 -13.006 -3.756 1.00 0.60 H new ATOM 0 HB2 LEU A 78 -1.317 -12.934 -6.742 1.00 0.79 H new ATOM 0 HB3 LEU A 78 -1.215 -14.360 -5.728 1.00 0.79 H new ATOM 0 HG LEU A 78 -3.416 -14.274 -5.858 1.00 1.04 H new ATOM 0 HD11 LEU A 78 -4.599 -13.119 -4.040 1.00 1.05 H new ATOM 0 HD12 LEU A 78 -3.129 -13.968 -3.504 1.00 1.05 H new ATOM 0 HD13 LEU A 78 -3.117 -12.198 -3.690 1.00 1.05 H new ATOM 0 HD21 LEU A 78 -4.811 -12.245 -6.287 1.00 1.15 H new ATOM 0 HD22 LEU A 78 -3.337 -11.250 -6.216 1.00 1.15 H new ATOM 0 HD23 LEU A 78 -3.526 -12.470 -7.497 1.00 1.15 H new ATOM 1220 N THR A 79 1.266 -11.763 -6.043 1.00 0.53 N ATOM 1221 CA THR A 79 2.680 -11.833 -6.375 1.00 0.58 C ATOM 1222 C THR A 79 3.503 -11.397 -5.177 1.00 0.52 C ATOM 1223 O THR A 79 3.378 -10.278 -4.674 1.00 0.54 O ATOM 1224 CB THR A 79 3.137 -10.984 -7.559 1.00 0.74 C ATOM 1225 OG1 THR A 79 2.161 -10.772 -8.529 1.00 0.79 O ATOM 1226 CG2 THR A 79 4.324 -11.664 -8.257 1.00 1.11 C ATOM 0 H THR A 79 0.721 -11.070 -6.556 1.00 0.53 H new ATOM 0 HA THR A 79 2.833 -12.874 -6.658 1.00 0.58 H new ATOM 0 HB THR A 79 3.397 -10.016 -7.130 1.00 0.74 H new ATOM 0 HG1 THR A 79 2.570 -10.364 -9.321 1.00 0.79 H new ATOM 0 HG21 THR A 79 4.647 -11.055 -9.101 1.00 1.11 H new ATOM 0 HG22 THR A 79 5.148 -11.772 -7.551 1.00 1.11 H new ATOM 0 HG23 THR A 79 4.021 -12.648 -8.614 1.00 1.11 H new ATOM 1234 N GLU A 80 4.426 -12.268 -4.811 1.00 0.59 N ATOM 1235 CA GLU A 80 5.384 -11.984 -3.768 1.00 0.62 C ATOM 1236 C GLU A 80 6.241 -10.790 -4.178 1.00 0.47 C ATOM 1237 O GLU A 80 6.573 -9.963 -3.340 1.00 0.49 O ATOM 1238 CB GLU A 80 6.208 -13.231 -3.453 1.00 0.86 C ATOM 1239 CG GLU A 80 6.973 -13.782 -4.666 1.00 2.29 C ATOM 1240 CD GLU A 80 7.810 -14.987 -4.269 1.00 2.64 C ATOM 1241 OE1 GLU A 80 7.233 -16.094 -4.254 1.00 2.77 O ATOM 1242 OE2 GLU A 80 9.007 -14.763 -3.985 1.00 3.62 O ATOM 0 H GLU A 80 4.529 -13.192 -5.231 1.00 0.59 H new ATOM 0 HA GLU A 80 4.869 -11.713 -2.846 1.00 0.62 H new ATOM 0 HB2 GLU A 80 6.919 -12.997 -2.661 1.00 0.86 H new ATOM 0 HB3 GLU A 80 5.546 -14.007 -3.068 1.00 0.86 H new ATOM 0 HG2 GLU A 80 6.269 -14.064 -5.449 1.00 2.29 H new ATOM 0 HG3 GLU A 80 7.617 -13.006 -5.080 1.00 2.29 H new ATOM 1249 N SER A 81 6.589 -10.680 -5.462 1.00 0.46 N ATOM 1250 CA SER A 81 7.419 -9.593 -5.956 1.00 0.54 C ATOM 1251 C SER A 81 6.687 -8.248 -5.852 1.00 0.58 C ATOM 1252 O SER A 81 7.137 -7.352 -5.136 1.00 0.70 O ATOM 1253 CB SER A 81 7.980 -9.907 -7.350 1.00 0.59 C ATOM 1254 OG SER A 81 9.325 -9.484 -7.424 1.00 1.98 O ATOM 0 H SER A 81 6.301 -11.343 -6.182 1.00 0.46 H new ATOM 0 HA SER A 81 8.294 -9.496 -5.314 1.00 0.54 H new ATOM 0 HB2 SER A 81 7.913 -10.977 -7.548 1.00 0.59 H new ATOM 0 HB3 SER A 81 7.387 -9.404 -8.114 1.00 0.59 H new ATOM 0 HG SER A 81 9.657 -9.606 -8.338 1.00 1.98 H new ATOM 1260 N GLU A 82 5.537 -8.091 -6.515 1.00 0.60 N ATOM 1261 CA GLU A 82 4.750 -6.872 -6.420 1.00 0.69 C ATOM 1262 C GLU A 82 4.468 -6.520 -4.958 1.00 0.65 C ATOM 1263 O GLU A 82 4.612 -5.356 -4.585 1.00 0.85 O ATOM 1264 CB GLU A 82 3.472 -6.937 -7.272 1.00 0.74 C ATOM 1265 CG GLU A 82 3.771 -6.906 -8.781 1.00 1.02 C ATOM 1266 CD GLU A 82 4.263 -8.227 -9.341 1.00 1.99 C ATOM 1267 OE1 GLU A 82 5.452 -8.534 -9.158 1.00 3.11 O ATOM 1268 OE2 GLU A 82 3.450 -8.947 -9.954 1.00 2.83 O ATOM 0 H GLU A 82 5.134 -8.802 -7.125 1.00 0.60 H new ATOM 0 HA GLU A 82 5.343 -6.059 -6.840 1.00 0.69 H new ATOM 0 HB2 GLU A 82 2.924 -7.848 -7.032 1.00 0.74 H new ATOM 0 HB3 GLU A 82 2.824 -6.099 -7.015 1.00 0.74 H new ATOM 0 HG2 GLU A 82 2.867 -6.612 -9.314 1.00 1.02 H new ATOM 0 HG3 GLU A 82 4.520 -6.139 -8.977 1.00 1.02 H new ATOM 1275 N THR A 83 4.141 -7.505 -4.110 1.00 0.44 N ATOM 1276 CA THR A 83 4.017 -7.212 -2.690 1.00 0.42 C ATOM 1277 C THR A 83 5.334 -6.666 -2.127 1.00 0.52 C ATOM 1278 O THR A 83 5.378 -5.566 -1.571 1.00 0.74 O ATOM 1279 CB THR A 83 3.573 -8.442 -1.880 1.00 0.46 C ATOM 1280 OG1 THR A 83 2.205 -8.645 -2.098 1.00 0.82 O ATOM 1281 CG2 THR A 83 3.727 -8.259 -0.361 1.00 0.72 C ATOM 0 H THR A 83 3.965 -8.474 -4.376 1.00 0.44 H new ATOM 0 HA THR A 83 3.243 -6.451 -2.593 1.00 0.42 H new ATOM 0 HB THR A 83 4.202 -9.270 -2.207 1.00 0.46 H new ATOM 0 HG1 THR A 83 1.905 -9.427 -1.590 1.00 0.82 H new ATOM 0 HG21 THR A 83 3.396 -9.163 0.150 1.00 0.72 H new ATOM 0 HG22 THR A 83 4.773 -8.069 -0.122 1.00 0.72 H new ATOM 0 HG23 THR A 83 3.121 -7.415 -0.033 1.00 0.72 H new ATOM 1289 N LYS A 84 6.405 -7.464 -2.214 1.00 0.41 N ATOM 1290 CA LYS A 84 7.661 -7.202 -1.525 1.00 0.46 C ATOM 1291 C LYS A 84 8.261 -5.889 -1.990 1.00 0.49 C ATOM 1292 O LYS A 84 8.985 -5.263 -1.245 1.00 0.55 O ATOM 1293 CB LYS A 84 8.669 -8.362 -1.633 1.00 0.57 C ATOM 1294 CG LYS A 84 9.527 -8.280 -2.901 1.00 2.63 C ATOM 1295 CD LYS A 84 10.274 -9.581 -3.201 1.00 3.24 C ATOM 1296 CE LYS A 84 11.096 -9.383 -4.485 1.00 5.34 C ATOM 1297 NZ LYS A 84 11.647 -10.650 -5.003 1.00 6.27 N ATOM 0 H LYS A 84 6.418 -8.317 -2.772 1.00 0.41 H new ATOM 0 HA LYS A 84 7.427 -7.118 -0.464 1.00 0.46 H new ATOM 0 HB2 LYS A 84 9.319 -8.357 -0.758 1.00 0.57 H new ATOM 0 HB3 LYS A 84 8.130 -9.309 -1.624 1.00 0.57 H new ATOM 0 HG2 LYS A 84 8.890 -8.029 -3.749 1.00 2.63 H new ATOM 0 HG3 LYS A 84 10.248 -7.470 -2.794 1.00 2.63 H new ATOM 0 HD2 LYS A 84 10.927 -9.844 -2.369 1.00 3.24 H new ATOM 0 HD3 LYS A 84 9.569 -10.403 -3.325 1.00 3.24 H new ATOM 0 HE2 LYS A 84 10.467 -8.925 -5.248 1.00 5.34 H new ATOM 0 HE3 LYS A 84 11.913 -8.689 -4.286 1.00 5.34 H new ATOM 0 HZ1 LYS A 84 12.192 -10.463 -5.869 1.00 6.27 H new ATOM 0 HZ2 LYS A 84 12.269 -11.076 -4.287 1.00 6.27 H new ATOM 0 HZ3 LYS A 84 10.868 -11.305 -5.219 1.00 6.27 H new ATOM 1311 N SER A 85 7.988 -5.452 -3.212 1.00 0.49 N ATOM 1312 CA SER A 85 8.361 -4.122 -3.658 1.00 0.55 C ATOM 1313 C SER A 85 7.949 -3.066 -2.627 1.00 0.44 C ATOM 1314 O SER A 85 8.749 -2.213 -2.245 1.00 0.49 O ATOM 1315 CB SER A 85 7.680 -3.849 -4.992 1.00 0.75 C ATOM 1316 OG SER A 85 8.016 -4.846 -5.939 1.00 1.48 O ATOM 0 H SER A 85 7.504 -6.008 -3.917 1.00 0.49 H new ATOM 0 HA SER A 85 9.444 -4.069 -3.774 1.00 0.55 H new ATOM 0 HB2 SER A 85 6.599 -3.820 -4.855 1.00 0.75 H new ATOM 0 HB3 SER A 85 7.980 -2.870 -5.365 1.00 0.75 H new ATOM 0 HG SER A 85 7.560 -5.683 -5.709 1.00 1.48 H new ATOM 1322 N LEU A 86 6.703 -3.152 -2.149 1.00 0.40 N ATOM 1323 CA LEU A 86 6.252 -2.333 -1.040 1.00 0.42 C ATOM 1324 C LEU A 86 6.841 -2.876 0.255 1.00 0.40 C ATOM 1325 O LEU A 86 7.503 -2.120 0.966 1.00 0.60 O ATOM 1326 CB LEU A 86 4.720 -2.258 -1.007 1.00 0.55 C ATOM 1327 CG LEU A 86 4.224 -1.197 -2.000 1.00 1.24 C ATOM 1328 CD1 LEU A 86 2.788 -1.503 -2.440 1.00 2.31 C ATOM 1329 CD2 LEU A 86 4.291 0.198 -1.360 1.00 2.13 C ATOM 0 H LEU A 86 5.994 -3.785 -2.520 1.00 0.40 H new ATOM 0 HA LEU A 86 6.605 -1.309 -1.166 1.00 0.42 H new ATOM 0 HB2 LEU A 86 4.295 -3.230 -1.258 1.00 0.55 H new ATOM 0 HB3 LEU A 86 4.381 -2.012 -0.000 1.00 0.55 H new ATOM 0 HG LEU A 86 4.869 -1.217 -2.878 1.00 1.24 H new ATOM 0 HD11 LEU A 86 2.453 -0.741 -3.144 1.00 2.31 H new ATOM 0 HD12 LEU A 86 2.755 -2.481 -2.921 1.00 2.31 H new ATOM 0 HD13 LEU A 86 2.133 -1.505 -1.569 1.00 2.31 H new ATOM 0 HD21 LEU A 86 3.937 0.943 -2.073 1.00 2.13 H new ATOM 0 HD22 LEU A 86 3.663 0.220 -0.470 1.00 2.13 H new ATOM 0 HD23 LEU A 86 5.321 0.422 -1.083 1.00 2.13 H new ATOM 1341 N MET A 87 6.643 -4.168 0.557 1.00 0.41 N ATOM 1342 CA MET A 87 7.107 -4.722 1.830 1.00 0.60 C ATOM 1343 C MET A 87 8.607 -4.512 2.130 1.00 0.88 C ATOM 1344 O MET A 87 9.023 -4.610 3.278 1.00 1.58 O ATOM 1345 CB MET A 87 6.711 -6.201 1.969 1.00 0.85 C ATOM 1346 CG MET A 87 6.111 -6.440 3.358 1.00 1.61 C ATOM 1347 SD MET A 87 4.452 -5.734 3.521 1.00 4.25 S ATOM 1348 CE MET A 87 4.128 -5.825 5.291 1.00 5.62 C ATOM 0 H MET A 87 6.173 -4.836 -0.054 1.00 0.41 H new ATOM 0 HA MET A 87 6.590 -4.139 2.592 1.00 0.60 H new ATOM 0 HB2 MET A 87 5.989 -6.469 1.198 1.00 0.85 H new ATOM 0 HB3 MET A 87 7.584 -6.838 1.824 1.00 0.85 H new ATOM 0 HG2 MET A 87 6.068 -7.512 3.553 1.00 1.61 H new ATOM 0 HG3 MET A 87 6.765 -6.004 4.114 1.00 1.61 H new ATOM 0 HE1 MET A 87 3.120 -6.204 5.457 1.00 5.62 H new ATOM 0 HE2 MET A 87 4.849 -6.495 5.759 1.00 5.62 H new ATOM 0 HE3 MET A 87 4.219 -4.831 5.729 1.00 5.62 H new ATOM 1358 N ALA A 88 9.419 -4.244 1.109 1.00 0.49 N ATOM 1359 CA ALA A 88 10.854 -4.031 1.165 1.00 0.58 C ATOM 1360 C ALA A 88 11.138 -2.583 1.551 1.00 0.58 C ATOM 1361 O ALA A 88 11.780 -2.304 2.562 1.00 0.84 O ATOM 1362 CB ALA A 88 11.460 -4.359 -0.211 1.00 0.58 C ATOM 0 H ALA A 88 9.061 -4.166 0.157 1.00 0.49 H new ATOM 0 HA ALA A 88 11.305 -4.681 1.915 1.00 0.58 H new ATOM 0 HB1 ALA A 88 12.538 -4.202 -0.180 1.00 0.58 H new ATOM 0 HB2 ALA A 88 11.251 -5.399 -0.462 1.00 0.58 H new ATOM 0 HB3 ALA A 88 11.020 -3.708 -0.967 1.00 0.58 H new ATOM 1368 N ALA A 89 10.685 -1.643 0.723 1.00 0.49 N ATOM 1369 CA ALA A 89 11.040 -0.241 0.880 1.00 0.57 C ATOM 1370 C ALA A 89 10.190 0.446 1.945 1.00 0.48 C ATOM 1371 O ALA A 89 10.687 1.322 2.648 1.00 0.58 O ATOM 1372 CB ALA A 89 10.915 0.457 -0.464 1.00 0.90 C ATOM 0 H ALA A 89 10.068 -1.833 -0.067 1.00 0.49 H new ATOM 0 HA ALA A 89 12.072 -0.178 1.224 1.00 0.57 H new ATOM 0 HB1 ALA A 89 11.180 1.509 -0.354 1.00 0.90 H new ATOM 0 HB2 ALA A 89 11.587 -0.013 -1.182 1.00 0.90 H new ATOM 0 HB3 ALA A 89 9.888 0.377 -0.822 1.00 0.90 H new ATOM 1378 N ALA A 90 8.919 0.062 2.089 1.00 0.43 N ATOM 1379 CA ALA A 90 8.113 0.562 3.196 1.00 0.48 C ATOM 1380 C ALA A 90 8.755 0.161 4.522 1.00 0.43 C ATOM 1381 O ALA A 90 8.752 0.943 5.468 1.00 0.50 O ATOM 1382 CB ALA A 90 6.696 0.005 3.121 1.00 0.51 C ATOM 0 H ALA A 90 8.436 -0.582 1.463 1.00 0.43 H new ATOM 0 HA ALA A 90 8.064 1.649 3.129 1.00 0.48 H new ATOM 0 HB1 ALA A 90 6.109 0.389 3.955 1.00 0.51 H new ATOM 0 HB2 ALA A 90 6.234 0.310 2.182 1.00 0.51 H new ATOM 0 HB3 ALA A 90 6.730 -1.083 3.172 1.00 0.51 H new ATOM 1388 N ASP A 91 9.295 -1.060 4.578 1.00 0.39 N ATOM 1389 CA ASP A 91 9.996 -1.548 5.749 1.00 0.39 C ATOM 1390 C ASP A 91 11.271 -0.739 5.954 1.00 0.39 C ATOM 1391 O ASP A 91 11.451 -0.087 6.974 1.00 1.90 O ATOM 1392 CB ASP A 91 10.324 -3.037 5.573 1.00 0.49 C ATOM 1393 CG ASP A 91 11.207 -3.540 6.692 1.00 0.75 C ATOM 1394 OD1 ASP A 91 10.638 -3.781 7.774 1.00 1.00 O ATOM 1395 OD2 ASP A 91 12.431 -3.686 6.497 1.00 1.01 O ATOM 0 H ASP A 91 9.254 -1.730 3.810 1.00 0.39 H new ATOM 0 HA ASP A 91 9.363 -1.433 6.629 1.00 0.39 H new ATOM 0 HB2 ASP A 91 9.400 -3.615 5.548 1.00 0.49 H new ATOM 0 HB3 ASP A 91 10.822 -3.191 4.616 1.00 0.49 H new ATOM 1400 N ASN A 92 12.164 -0.833 4.966 1.00 2.42 N ATOM 1401 CA ASN A 92 13.516 -0.273 4.957 1.00 2.80 C ATOM 1402 C ASN A 92 14.308 -0.462 6.263 1.00 2.46 C ATOM 1403 O ASN A 92 15.294 0.240 6.478 1.00 2.98 O ATOM 1404 CB ASN A 92 13.525 1.184 4.461 1.00 3.55 C ATOM 1405 CG ASN A 92 12.788 2.153 5.384 1.00 2.82 C ATOM 1406 OD1 ASN A 92 13.362 2.692 6.324 1.00 3.03 O ATOM 1407 ND2 ASN A 92 11.519 2.420 5.094 1.00 3.18 N ATOM 0 H ASN A 92 11.950 -1.331 4.102 1.00 2.42 H new ATOM 0 HA ASN A 92 14.065 -0.874 4.232 1.00 2.80 H new ATOM 0 HB2 ASN A 92 14.558 1.515 4.352 1.00 3.55 H new ATOM 0 HB3 ASN A 92 13.071 1.224 3.471 1.00 3.55 H new ATOM 0 HD21 ASN A 92 10.996 3.089 5.660 1.00 3.18 H new ATOM 0 HD22 ASN A 92 11.068 1.956 4.306 1.00 3.18 H new ATOM 1414 N ASP A 93 13.955 -1.462 7.079 1.00 1.73 N ATOM 1415 CA ASP A 93 14.711 -1.868 8.260 1.00 1.45 C ATOM 1416 C ASP A 93 15.620 -3.029 7.872 1.00 1.29 C ATOM 1417 O ASP A 93 16.781 -3.098 8.271 1.00 1.27 O ATOM 1418 CB ASP A 93 13.773 -2.381 9.367 1.00 1.25 C ATOM 1419 CG ASP A 93 12.900 -1.320 10.010 1.00 1.50 C ATOM 1420 OD1 ASP A 93 13.466 -0.353 10.556 1.00 1.93 O ATOM 1421 OD2 ASP A 93 11.667 -1.554 10.015 1.00 1.42 O ATOM 0 H ASP A 93 13.116 -2.022 6.929 1.00 1.73 H new ATOM 0 HA ASP A 93 15.271 -1.006 8.623 1.00 1.45 H new ATOM 0 HB2 ASP A 93 13.130 -3.154 8.948 1.00 1.25 H new ATOM 0 HB3 ASP A 93 14.375 -2.854 10.143 1.00 1.25 H new ATOM 1426 N GLY A 94 15.036 -3.981 7.141 1.00 1.26 N ATOM 1427 CA GLY A 94 15.507 -5.342 7.017 1.00 1.17 C ATOM 1428 C GLY A 94 14.730 -6.240 7.981 1.00 0.93 C ATOM 1429 O GLY A 94 15.337 -7.115 8.596 1.00 0.99 O ATOM 0 H GLY A 94 14.188 -3.807 6.601 1.00 1.26 H new ATOM 0 HA2 GLY A 94 15.377 -5.691 5.993 1.00 1.17 H new ATOM 0 HA3 GLY A 94 16.573 -5.391 7.237 1.00 1.17 H new ATOM 1433 N ASP A 95 13.403 -6.049 8.106 1.00 0.82 N ATOM 1434 CA ASP A 95 12.541 -6.967 8.862 1.00 0.80 C ATOM 1435 C ASP A 95 11.337 -7.436 8.033 1.00 0.79 C ATOM 1436 O ASP A 95 11.155 -8.641 7.869 1.00 0.89 O ATOM 1437 CB ASP A 95 12.206 -6.457 10.283 1.00 0.74 C ATOM 1438 CG ASP A 95 11.213 -5.311 10.367 1.00 0.84 C ATOM 1439 OD1 ASP A 95 10.084 -5.410 9.862 1.00 2.08 O ATOM 1440 OD2 ASP A 95 11.496 -4.245 10.940 1.00 1.75 O ATOM 0 H ASP A 95 12.906 -5.262 7.689 1.00 0.82 H new ATOM 0 HA ASP A 95 13.118 -7.872 9.051 1.00 0.80 H new ATOM 0 HB2 ASP A 95 11.815 -7.293 10.864 1.00 0.74 H new ATOM 0 HB3 ASP A 95 13.133 -6.143 10.762 1.00 0.74 H new ATOM 1445 N GLY A 96 10.537 -6.519 7.486 1.00 0.77 N ATOM 1446 CA GLY A 96 9.400 -6.820 6.624 1.00 0.80 C ATOM 1447 C GLY A 96 8.065 -6.422 7.257 1.00 0.79 C ATOM 1448 O GLY A 96 7.150 -6.013 6.550 1.00 0.87 O ATOM 0 H GLY A 96 10.669 -5.519 7.637 1.00 0.77 H new ATOM 0 HA2 GLY A 96 9.519 -6.297 5.675 1.00 0.80 H new ATOM 0 HA3 GLY A 96 9.389 -7.887 6.401 1.00 0.80 H new ATOM 1452 N LYS A 97 7.920 -6.534 8.581 1.00 0.77 N ATOM 1453 CA LYS A 97 6.744 -6.044 9.284 1.00 0.81 C ATOM 1454 C LYS A 97 6.776 -4.511 9.253 1.00 0.72 C ATOM 1455 O LYS A 97 7.800 -3.899 9.586 1.00 0.80 O ATOM 1456 CB LYS A 97 6.666 -6.630 10.708 1.00 0.91 C ATOM 1457 CG LYS A 97 7.968 -6.474 11.505 1.00 1.73 C ATOM 1458 CD LYS A 97 7.872 -6.940 12.958 1.00 1.89 C ATOM 1459 CE LYS A 97 9.233 -6.663 13.621 1.00 3.53 C ATOM 1460 NZ LYS A 97 9.276 -7.105 15.029 1.00 3.98 N ATOM 0 H LYS A 97 8.616 -6.967 9.189 1.00 0.77 H new ATOM 0 HA LYS A 97 5.830 -6.376 8.791 1.00 0.81 H new ATOM 0 HB2 LYS A 97 5.857 -6.141 11.250 1.00 0.91 H new ATOM 0 HB3 LYS A 97 6.413 -7.688 10.644 1.00 0.91 H new ATOM 0 HG2 LYS A 97 8.756 -7.037 11.006 1.00 1.73 H new ATOM 0 HG3 LYS A 97 8.267 -5.426 11.490 1.00 1.73 H new ATOM 0 HD2 LYS A 97 7.076 -6.409 13.480 1.00 1.89 H new ATOM 0 HD3 LYS A 97 7.631 -8.002 13.005 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.017 -7.171 13.060 1.00 3.53 H new ATOM 0 HE3 LYS A 97 9.447 -5.595 13.572 1.00 3.53 H new ATOM 0 HZ1 LYS A 97 10.213 -6.896 15.430 1.00 3.98 H new ATOM 0 HZ2 LYS A 97 8.547 -6.602 15.573 1.00 3.98 H new ATOM 0 HZ3 LYS A 97 9.099 -8.129 15.077 1.00 3.98 H new ATOM 1474 N ILE A 98 5.678 -3.894 8.811 1.00 0.62 N ATOM 1475 CA ILE A 98 5.598 -2.458 8.585 1.00 0.56 C ATOM 1476 C ILE A 98 4.546 -1.884 9.524 1.00 0.62 C ATOM 1477 O ILE A 98 3.350 -2.110 9.350 1.00 1.08 O ATOM 1478 CB ILE A 98 5.337 -2.207 7.090 1.00 0.58 C ATOM 1479 CG1 ILE A 98 6.656 -2.450 6.341 1.00 0.54 C ATOM 1480 CG2 ILE A 98 4.877 -0.785 6.744 1.00 0.66 C ATOM 1481 CD1 ILE A 98 6.428 -3.031 4.955 1.00 0.68 C ATOM 0 H ILE A 98 4.811 -4.388 8.599 1.00 0.62 H new ATOM 0 HA ILE A 98 6.530 -1.942 8.816 1.00 0.56 H new ATOM 0 HB ILE A 98 4.528 -2.879 6.803 1.00 0.58 H new ATOM 0 HG12 ILE A 98 7.202 -1.510 6.254 1.00 0.54 H new ATOM 0 HG13 ILE A 98 7.281 -3.130 6.920 1.00 0.54 H new ATOM 0 HG21 ILE A 98 4.719 -0.705 5.668 1.00 0.66 H new ATOM 0 HG22 ILE A 98 3.945 -0.567 7.265 1.00 0.66 H new ATOM 0 HG23 ILE A 98 5.640 -0.071 7.052 1.00 0.66 H new ATOM 0 HD11 ILE A 98 7.388 -3.186 4.463 1.00 0.68 H new ATOM 0 HD12 ILE A 98 5.906 -3.984 5.041 1.00 0.68 H new ATOM 0 HD13 ILE A 98 5.826 -2.340 4.365 1.00 0.68 H new ATOM 1493 N GLY A 99 4.985 -1.163 10.553 1.00 0.46 N ATOM 1494 CA GLY A 99 4.089 -0.441 11.430 1.00 0.48 C ATOM 1495 C GLY A 99 3.310 0.623 10.662 1.00 0.44 C ATOM 1496 O GLY A 99 3.697 1.044 9.569 1.00 0.40 O ATOM 0 H GLY A 99 5.971 -1.068 10.796 1.00 0.46 H new ATOM 0 HA2 GLY A 99 3.394 -1.138 11.899 1.00 0.48 H new ATOM 0 HA3 GLY A 99 4.659 0.029 12.232 1.00 0.48 H new ATOM 1500 N ALA A 100 2.229 1.110 11.277 1.00 0.53 N ATOM 1501 CA ALA A 100 1.526 2.290 10.800 1.00 0.53 C ATOM 1502 C ALA A 100 2.531 3.417 10.591 1.00 0.50 C ATOM 1503 O ALA A 100 2.486 4.122 9.587 1.00 0.49 O ATOM 1504 CB ALA A 100 0.493 2.719 11.837 1.00 0.62 C ATOM 0 H ALA A 100 1.823 0.695 12.116 1.00 0.53 H new ATOM 0 HA ALA A 100 1.023 2.064 9.860 1.00 0.53 H new ATOM 0 HB1 ALA A 100 -0.035 3.604 11.481 1.00 0.62 H new ATOM 0 HB2 ALA A 100 -0.220 1.910 11.996 1.00 0.62 H new ATOM 0 HB3 ALA A 100 0.995 2.950 12.777 1.00 0.62 H new ATOM 1510 N GLU A 101 3.447 3.549 11.555 1.00 0.52 N ATOM 1511 CA GLU A 101 4.501 4.538 11.542 1.00 0.52 C ATOM 1512 C GLU A 101 5.353 4.381 10.278 1.00 0.42 C ATOM 1513 O GLU A 101 5.429 5.310 9.486 1.00 0.41 O ATOM 1514 CB GLU A 101 5.305 4.452 12.850 1.00 0.64 C ATOM 1515 CG GLU A 101 5.801 5.832 13.301 1.00 1.50 C ATOM 1516 CD GLU A 101 6.387 5.771 14.706 1.00 1.66 C ATOM 1517 OE1 GLU A 101 5.623 5.375 15.614 1.00 1.89 O ATOM 1518 OE2 GLU A 101 7.579 6.117 14.850 1.00 2.73 O ATOM 0 H GLU A 101 3.467 2.951 12.381 1.00 0.52 H new ATOM 0 HA GLU A 101 4.084 5.544 11.501 1.00 0.52 H new ATOM 0 HB2 GLU A 101 4.683 4.015 13.632 1.00 0.64 H new ATOM 0 HB3 GLU A 101 6.157 3.786 12.711 1.00 0.64 H new ATOM 0 HG2 GLU A 101 6.556 6.196 12.604 1.00 1.50 H new ATOM 0 HG3 GLU A 101 4.976 6.544 13.278 1.00 1.50 H new ATOM 1525 N GLU A 102 5.926 3.194 10.048 1.00 0.42 N ATOM 1526 CA GLU A 102 6.696 2.885 8.844 1.00 0.38 C ATOM 1527 C GLU A 102 5.907 3.257 7.574 1.00 0.38 C ATOM 1528 O GLU A 102 6.425 3.928 6.678 1.00 0.40 O ATOM 1529 CB GLU A 102 7.085 1.397 8.856 1.00 0.40 C ATOM 1530 CG GLU A 102 8.070 1.032 9.978 1.00 0.50 C ATOM 1531 CD GLU A 102 8.231 -0.476 10.120 1.00 0.60 C ATOM 1532 OE1 GLU A 102 8.885 -1.115 9.265 1.00 1.16 O ATOM 1533 OE2 GLU A 102 7.657 -1.045 11.069 1.00 1.50 O ATOM 0 H GLU A 102 5.866 2.414 10.702 1.00 0.42 H new ATOM 0 HA GLU A 102 7.608 3.482 8.836 1.00 0.38 H new ATOM 0 HB2 GLU A 102 6.183 0.794 8.964 1.00 0.40 H new ATOM 0 HB3 GLU A 102 7.528 1.137 7.895 1.00 0.40 H new ATOM 0 HG2 GLU A 102 9.040 1.483 9.771 1.00 0.50 H new ATOM 0 HG3 GLU A 102 7.718 1.451 10.921 1.00 0.50 H new ATOM 1540 N PHE A 103 4.635 2.847 7.501 1.00 0.39 N ATOM 1541 CA PHE A 103 3.783 3.157 6.356 1.00 0.46 C ATOM 1542 C PHE A 103 3.670 4.677 6.152 1.00 0.40 C ATOM 1543 O PHE A 103 3.957 5.202 5.076 1.00 0.43 O ATOM 1544 CB PHE A 103 2.413 2.491 6.545 1.00 0.56 C ATOM 1545 CG PHE A 103 1.457 2.662 5.380 1.00 1.46 C ATOM 1546 CD1 PHE A 103 1.574 1.836 4.246 1.00 1.67 C ATOM 1547 CD2 PHE A 103 0.426 3.620 5.442 1.00 3.14 C ATOM 1548 CE1 PHE A 103 0.665 1.964 3.182 1.00 2.32 C ATOM 1549 CE2 PHE A 103 -0.497 3.731 4.388 1.00 4.04 C ATOM 1550 CZ PHE A 103 -0.372 2.911 3.253 1.00 3.34 C ATOM 0 H PHE A 103 4.175 2.298 8.227 1.00 0.39 H new ATOM 0 HA PHE A 103 4.232 2.755 5.447 1.00 0.46 H new ATOM 0 HB2 PHE A 103 2.564 1.426 6.720 1.00 0.56 H new ATOM 0 HB3 PHE A 103 1.947 2.899 7.442 1.00 0.56 H new ATOM 0 HD1 PHE A 103 2.364 1.102 4.194 1.00 1.67 H new ATOM 0 HD2 PHE A 103 0.345 4.270 6.301 1.00 3.14 H new ATOM 0 HE1 PHE A 103 0.763 1.335 2.310 1.00 2.32 H new ATOM 0 HE2 PHE A 103 -1.303 4.447 4.450 1.00 4.04 H new ATOM 0 HZ PHE A 103 -1.072 3.008 2.436 1.00 3.34 H new ATOM 1560 N GLN A 104 3.262 5.393 7.201 1.00 0.39 N ATOM 1561 CA GLN A 104 3.148 6.846 7.203 1.00 0.42 C ATOM 1562 C GLN A 104 4.484 7.536 6.971 1.00 0.51 C ATOM 1563 O GLN A 104 4.477 8.634 6.437 1.00 0.85 O ATOM 1564 CB GLN A 104 2.548 7.318 8.525 1.00 0.51 C ATOM 1565 CG GLN A 104 1.042 7.381 8.314 1.00 1.81 C ATOM 1566 CD GLN A 104 0.304 7.388 9.644 1.00 2.85 C ATOM 1567 OE1 GLN A 104 -0.445 6.469 9.958 1.00 4.05 O ATOM 1568 NE2 GLN A 104 0.530 8.411 10.462 1.00 2.96 N ATOM 0 H GLN A 104 2.997 4.967 8.089 1.00 0.39 H new ATOM 0 HA GLN A 104 2.493 7.118 6.375 1.00 0.42 H new ATOM 0 HB2 GLN A 104 2.799 6.631 9.333 1.00 0.51 H new ATOM 0 HB3 GLN A 104 2.942 8.295 8.804 1.00 0.51 H new ATOM 0 HG2 GLN A 104 0.788 8.278 7.749 1.00 1.81 H new ATOM 0 HG3 GLN A 104 0.719 6.527 7.719 1.00 1.81 H new ATOM 0 HE21 GLN A 104 1.158 9.163 10.177 1.00 2.96 H new ATOM 0 HE22 GLN A 104 0.076 8.444 11.375 1.00 2.96 H new ATOM 1577 N GLU A 105 5.617 6.951 7.353 1.00 0.42 N ATOM 1578 CA GLU A 105 6.902 7.519 6.992 1.00 0.43 C ATOM 1579 C GLU A 105 7.013 7.490 5.475 1.00 0.39 C ATOM 1580 O GLU A 105 7.121 8.540 4.848 1.00 0.50 O ATOM 1581 CB GLU A 105 8.056 6.761 7.666 1.00 0.46 C ATOM 1582 CG GLU A 105 8.253 7.226 9.114 1.00 0.81 C ATOM 1583 CD GLU A 105 8.905 8.603 9.172 1.00 1.80 C ATOM 1584 OE1 GLU A 105 10.122 8.660 8.892 1.00 2.72 O ATOM 1585 OE2 GLU A 105 8.175 9.572 9.469 1.00 3.29 O ATOM 0 H GLU A 105 5.666 6.095 7.905 1.00 0.42 H new ATOM 0 HA GLU A 105 6.972 8.548 7.344 1.00 0.43 H new ATOM 0 HB2 GLU A 105 7.850 5.691 7.650 1.00 0.46 H new ATOM 0 HB3 GLU A 105 8.976 6.918 7.102 1.00 0.46 H new ATOM 0 HG2 GLU A 105 7.289 7.256 9.622 1.00 0.81 H new ATOM 0 HG3 GLU A 105 8.873 6.506 9.648 1.00 0.81 H new ATOM 1592 N MET A 106 6.933 6.296 4.876 1.00 0.35 N ATOM 1593 CA MET A 106 7.105 6.151 3.437 1.00 0.44 C ATOM 1594 C MET A 106 6.130 7.065 2.693 1.00 0.55 C ATOM 1595 O MET A 106 6.492 7.685 1.697 1.00 0.59 O ATOM 1596 CB MET A 106 6.937 4.683 3.025 1.00 0.62 C ATOM 1597 CG MET A 106 7.128 4.410 1.520 1.00 1.75 C ATOM 1598 SD MET A 106 8.797 4.558 0.810 1.00 2.46 S ATOM 1599 CE MET A 106 8.915 6.311 0.377 1.00 3.21 C ATOM 0 H MET A 106 6.751 5.422 5.369 1.00 0.35 H new ATOM 0 HA MET A 106 8.116 6.455 3.165 1.00 0.44 H new ATOM 0 HB2 MET A 106 7.652 4.079 3.583 1.00 0.62 H new ATOM 0 HB3 MET A 106 5.941 4.350 3.317 1.00 0.62 H new ATOM 0 HG2 MET A 106 6.772 3.399 1.320 1.00 1.75 H new ATOM 0 HG3 MET A 106 6.475 5.092 0.975 1.00 1.75 H new ATOM 0 HE1 MET A 106 9.692 6.449 -0.374 1.00 3.21 H new ATOM 0 HE2 MET A 106 7.960 6.652 -0.022 1.00 3.21 H new ATOM 0 HE3 MET A 106 9.164 6.890 1.267 1.00 3.21 H new ATOM 1609 N VAL A 107 4.888 7.136 3.172 1.00 0.69 N ATOM 1610 CA VAL A 107 3.856 7.918 2.522 1.00 0.83 C ATOM 1611 C VAL A 107 3.967 9.423 2.810 1.00 1.00 C ATOM 1612 O VAL A 107 3.948 10.242 1.903 1.00 1.30 O ATOM 1613 CB VAL A 107 2.483 7.355 2.900 1.00 0.72 C ATOM 1614 CG1 VAL A 107 1.418 8.344 2.438 1.00 0.91 C ATOM 1615 CG2 VAL A 107 2.245 5.991 2.238 1.00 0.76 C ATOM 0 H VAL A 107 4.578 6.654 4.016 1.00 0.69 H new ATOM 0 HA VAL A 107 3.993 7.830 1.444 1.00 0.83 H new ATOM 0 HB VAL A 107 2.435 7.215 3.980 1.00 0.72 H new ATOM 0 HG11 VAL A 107 0.430 7.963 2.697 1.00 0.91 H new ATOM 0 HG12 VAL A 107 1.576 9.305 2.928 1.00 0.91 H new ATOM 0 HG13 VAL A 107 1.485 8.473 1.358 1.00 0.91 H new ATOM 0 HG21 VAL A 107 1.263 5.614 2.524 1.00 0.76 H new ATOM 0 HG22 VAL A 107 2.291 6.099 1.154 1.00 0.76 H new ATOM 0 HG23 VAL A 107 3.012 5.289 2.565 1.00 0.76 H new ATOM 1625 N HIS A 108 3.994 9.842 4.068 1.00 1.13 N ATOM 1626 CA HIS A 108 4.005 11.265 4.391 1.00 1.29 C ATOM 1627 C HIS A 108 5.358 11.894 4.056 1.00 1.61 C ATOM 1628 O HIS A 108 5.503 13.113 4.154 1.00 1.91 O ATOM 1629 CB HIS A 108 3.663 11.454 5.871 1.00 1.63 C ATOM 1630 CG HIS A 108 3.172 12.829 6.239 1.00 2.18 C ATOM 1631 ND1 HIS A 108 3.590 13.563 7.325 1.00 2.76 N ATOM 1632 CD2 HIS A 108 2.102 13.480 5.686 1.00 3.47 C ATOM 1633 CE1 HIS A 108 2.782 14.633 7.423 1.00 3.06 C ATOM 1634 NE2 HIS A 108 1.841 14.616 6.461 1.00 3.65 N ATOM 0 H HIS A 108 4.009 9.222 4.878 1.00 1.13 H new ATOM 0 HA HIS A 108 3.253 11.771 3.786 1.00 1.29 H new ATOM 0 HB2 HIS A 108 2.901 10.726 6.148 1.00 1.63 H new ATOM 0 HB3 HIS A 108 4.549 11.230 6.465 1.00 1.63 H new ATOM 0 HD2 HIS A 108 1.556 13.171 4.807 1.00 3.47 H new ATOM 0 HE1 HIS A 108 2.876 15.404 8.174 1.00 3.06 H new ATOM 0 HE2 HIS A 108 1.090 15.293 6.324 1.00 3.65 H new ATOM 1642 N SER A 109 6.339 11.052 3.713 1.00 1.68 N ATOM 1643 CA SER A 109 7.590 11.493 3.109 1.00 1.87 C ATOM 1644 C SER A 109 7.398 12.468 1.934 1.00 2.28 C ATOM 1645 O SER A 109 8.438 13.060 1.559 1.00 2.79 O ATOM 1646 CB SER A 109 8.410 10.304 2.581 1.00 1.66 C ATOM 1647 OG SER A 109 9.655 10.759 2.078 1.00 1.91 O ATOM 1648 OXT SER A 109 6.292 12.523 1.354 1.00 2.61 O ATOM 0 H SER A 109 6.282 10.043 3.849 1.00 1.68 H new ATOM 0 HA SER A 109 8.113 12.008 3.915 1.00 1.87 H new ATOM 0 HB2 SER A 109 8.574 9.581 3.380 1.00 1.66 H new ATOM 0 HB3 SER A 109 7.857 9.790 1.795 1.00 1.66 H new ATOM 0 HG SER A 109 9.634 11.734 1.986 1.00 1.91 H new TER 1654 SER A 109 HETATM 1655 CA CA A 110 10.001 -2.974 9.727 1.00 0.66 CA HETATM 1656 CA CA A 111 -2.506 -6.076 10.985 1.00 0.97 CA