USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 717 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 6 CYS SG : rot -34:sc= 0.0989 USER MOD Set 1.2: A 8 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.01 X(o=-1,f=-0.55) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= -0.277 USER MOD Single : A 41 SER OG : rot 45:sc= 0.392! USER MOD Single : A 46 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 51 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.0631 USER MOD Single : A 57 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.56) USER MOD Single : A 76 LYS NZ :NH3+ 152:sc= -0.252 (180deg=-1.31!) USER MOD Single : A 78 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.4) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00914 USER MOD Single : A 89 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-3.2!) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.695 -10.715 13.666 1.00 0.00 N ATOM 2 CA MET A 1 -22.449 -11.154 13.048 1.00 0.00 C ATOM 3 C MET A 1 -21.367 -10.058 13.164 1.00 0.00 C ATOM 4 O MET A 1 -20.979 -9.457 12.161 1.00 0.00 O ATOM 5 CB MET A 1 -22.677 -11.537 11.572 1.00 0.00 C ATOM 6 CG MET A 1 -23.449 -12.852 11.377 1.00 0.00 C ATOM 7 SD MET A 1 -23.385 -13.486 9.672 1.00 0.00 S ATOM 8 CE MET A 1 -24.673 -14.765 9.736 1.00 0.00 C ATOM 0 H1 MET A 1 -24.410 -11.465 13.578 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.530 -10.511 14.672 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.035 -9.855 13.189 1.00 0.00 H new ATOM 0 HA MET A 1 -22.099 -12.039 13.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.222 -10.732 11.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.710 -11.619 11.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.043 -13.606 12.052 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.490 -12.698 11.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.755 -15.248 8.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.410 -15.509 10.488 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.628 -14.307 9.996 1.00 0.00 H new ATOM 19 N LYS A 2 -20.896 -9.789 14.397 1.00 0.00 N ATOM 20 CA LYS A 2 -19.998 -8.679 14.747 1.00 0.00 C ATOM 21 C LYS A 2 -20.570 -7.339 14.236 1.00 0.00 C ATOM 22 O LYS A 2 -20.379 -6.985 13.071 1.00 0.00 O ATOM 23 CB LYS A 2 -18.588 -8.950 14.178 1.00 0.00 C ATOM 24 CG LYS A 2 -17.475 -8.639 15.192 1.00 0.00 C ATOM 25 CD LYS A 2 -17.660 -9.390 16.518 1.00 0.00 C ATOM 26 CE LYS A 2 -16.290 -9.793 17.085 1.00 0.00 C ATOM 27 NZ LYS A 2 -16.270 -9.756 18.557 1.00 0.00 N ATOM 0 H LYS A 2 -21.142 -10.362 15.204 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.919 -8.606 15.832 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -18.517 -9.994 13.874 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.439 -8.346 13.283 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.510 -8.904 14.760 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.454 -7.567 15.386 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.188 -8.759 17.233 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.274 -10.277 16.361 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.038 -10.797 16.744 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.525 -9.122 16.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.328 -10.035 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.485 -8.792 18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.982 -10.415 18.931 1.00 0.00 H new ATOM 41 N LYS A 3 -21.276 -6.599 15.113 1.00 0.00 N ATOM 42 CA LYS A 3 -22.142 -5.460 14.780 1.00 0.00 C ATOM 43 C LYS A 3 -22.930 -5.744 13.481 1.00 0.00 C ATOM 44 O LYS A 3 -23.858 -6.560 13.493 1.00 0.00 O ATOM 45 CB LYS A 3 -21.290 -4.175 14.676 1.00 0.00 C ATOM 46 CG LYS A 3 -20.624 -3.804 16.012 1.00 0.00 C ATOM 47 CD LYS A 3 -19.465 -2.813 15.837 1.00 0.00 C ATOM 48 CE LYS A 3 -19.431 -1.834 17.020 1.00 0.00 C ATOM 49 NZ LYS A 3 -20.337 -0.691 16.816 1.00 0.00 N ATOM 0 H LYS A 3 -21.255 -6.790 16.115 1.00 0.00 H new ATOM 0 HA LYS A 3 -22.876 -5.312 15.572 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.521 -4.312 13.916 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.921 -3.350 14.346 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -21.370 -3.371 16.678 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.254 -4.709 16.493 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.520 -3.353 15.773 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.582 -2.264 14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -19.710 -2.359 17.933 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.413 -1.470 17.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.284 -0.055 17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.056 -0.174 15.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.312 -1.036 16.708 1.00 0.00 H new ATOM 63 N ALA A 4 -22.583 -5.067 12.371 1.00 0.00 N ATOM 64 CA ALA A 4 -23.394 -4.953 11.149 1.00 0.00 C ATOM 65 C ALA A 4 -22.987 -3.716 10.317 1.00 0.00 C ATOM 66 O ALA A 4 -21.845 -3.261 10.399 1.00 0.00 O ATOM 67 CB ALA A 4 -24.885 -4.885 11.516 1.00 0.00 C ATOM 0 H ALA A 4 -21.697 -4.567 12.300 1.00 0.00 H new ATOM 0 HA ALA A 4 -23.215 -5.837 10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -25.480 -4.801 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -25.169 -5.790 12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.065 -4.016 12.149 1.00 0.00 H new ATOM 73 N THR A 5 -23.936 -3.168 9.533 1.00 0.00 N ATOM 74 CA THR A 5 -23.882 -1.837 8.913 1.00 0.00 C ATOM 75 C THR A 5 -23.203 -1.923 7.528 1.00 0.00 C ATOM 76 O THR A 5 -22.514 -0.988 7.116 1.00 0.00 O ATOM 77 CB THR A 5 -23.147 -0.848 9.848 1.00 0.00 C ATOM 78 OG1 THR A 5 -23.488 -1.109 11.198 1.00 0.00 O ATOM 79 CG2 THR A 5 -23.481 0.624 9.549 1.00 0.00 C ATOM 0 H THR A 5 -24.797 -3.666 9.307 1.00 0.00 H new ATOM 0 HA THR A 5 -24.896 -1.465 8.763 1.00 0.00 H new ATOM 0 HB THR A 5 -22.082 -1.000 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 5 -23.017 -0.479 11.782 1.00 0.00 H new ATOM 0 HG21 THR A 5 -22.935 1.268 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 5 -23.193 0.862 8.525 1.00 0.00 H new ATOM 0 HG23 THR A 5 -24.552 0.786 9.672 1.00 0.00 H new ATOM 87 N CYS A 6 -23.419 -3.039 6.806 1.00 0.00 N ATOM 88 CA CYS A 6 -23.157 -3.191 5.367 1.00 0.00 C ATOM 89 C CYS A 6 -21.644 -3.089 5.077 1.00 0.00 C ATOM 90 O CYS A 6 -21.169 -2.054 4.606 1.00 0.00 O ATOM 91 CB CYS A 6 -23.954 -2.130 4.582 1.00 0.00 C ATOM 92 SG CYS A 6 -24.522 -2.768 2.977 1.00 0.00 S ATOM 0 H CYS A 6 -23.794 -3.889 7.227 1.00 0.00 H new ATOM 0 HA CYS A 6 -23.485 -4.179 5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -24.813 -1.810 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -23.331 -1.250 4.424 1.00 0.00 H new ATOM 0 HG CYS A 6 -23.638 -3.594 2.501 1.00 0.00 H new ATOM 98 N LEU A 7 -20.884 -4.163 5.377 1.00 0.00 N ATOM 99 CA LEU A 7 -19.420 -4.253 5.269 1.00 0.00 C ATOM 100 C LEU A 7 -18.998 -4.750 3.867 1.00 0.00 C ATOM 101 O LEU A 7 -17.885 -5.244 3.682 1.00 0.00 O ATOM 102 CB LEU A 7 -18.873 -5.212 6.347 1.00 0.00 C ATOM 103 CG LEU A 7 -18.080 -4.546 7.493 1.00 0.00 C ATOM 104 CD1 LEU A 7 -16.720 -4.071 6.957 1.00 0.00 C ATOM 105 CD2 LEU A 7 -18.828 -3.346 8.097 1.00 0.00 C ATOM 0 H LEU A 7 -21.298 -5.031 5.717 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.004 -3.257 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.711 -5.760 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.229 -5.946 5.862 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.950 -5.289 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.156 -3.600 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.161 -4.925 6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.877 -3.351 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.231 -2.911 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.998 -2.597 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.786 -3.678 8.497 1.00 0.00 H new ATOM 117 N THR A 8 -19.920 -4.625 2.888 1.00 0.00 N ATOM 118 CA THR A 8 -19.794 -5.109 1.507 1.00 0.00 C ATOM 119 C THR A 8 -18.572 -4.472 0.810 1.00 0.00 C ATOM 120 O THR A 8 -17.966 -3.542 1.345 1.00 0.00 O ATOM 121 CB THR A 8 -21.100 -4.821 0.726 1.00 0.00 C ATOM 122 OG1 THR A 8 -22.228 -5.034 1.554 1.00 0.00 O ATOM 123 CG2 THR A 8 -21.260 -5.702 -0.526 1.00 0.00 C ATOM 0 H THR A 8 -20.813 -4.161 3.053 1.00 0.00 H new ATOM 0 HA THR A 8 -19.634 -6.187 1.525 1.00 0.00 H new ATOM 0 HB THR A 8 -21.034 -3.780 0.410 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.046 -4.846 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.194 -5.452 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.424 -5.527 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 8 -21.275 -6.752 -0.233 1.00 0.00 H new ATOM 131 N ASP A 9 -18.222 -4.963 -0.397 1.00 0.00 N ATOM 132 CA ASP A 9 -17.112 -4.467 -1.224 1.00 0.00 C ATOM 133 C ASP A 9 -17.309 -2.981 -1.594 1.00 0.00 C ATOM 134 O ASP A 9 -16.334 -2.252 -1.795 1.00 0.00 O ATOM 135 CB ASP A 9 -16.959 -5.342 -2.486 1.00 0.00 C ATOM 136 CG ASP A 9 -18.283 -5.833 -3.083 1.00 0.00 C ATOM 137 OD1 ASP A 9 -19.299 -5.122 -2.920 1.00 0.00 O ATOM 138 OD2 ASP A 9 -18.262 -6.924 -3.700 1.00 0.00 O ATOM 0 H ASP A 9 -18.721 -5.739 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.192 -4.535 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.422 -4.773 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.343 -6.207 -2.241 1.00 0.00 H new ATOM 143 N ASP A 10 -18.574 -2.525 -1.652 1.00 0.00 N ATOM 144 CA ASP A 10 -18.970 -1.108 -1.602 1.00 0.00 C ATOM 145 C ASP A 10 -18.187 -0.353 -0.509 1.00 0.00 C ATOM 146 O ASP A 10 -17.262 0.420 -0.785 1.00 0.00 O ATOM 147 CB ASP A 10 -20.497 -1.015 -1.377 1.00 0.00 C ATOM 148 CG ASP A 10 -21.317 -1.273 -2.646 1.00 0.00 C ATOM 149 OD1 ASP A 10 -20.920 -0.740 -3.706 1.00 0.00 O ATOM 150 OD2 ASP A 10 -22.330 -1.998 -2.536 1.00 0.00 O ATOM 0 H ASP A 10 -19.373 -3.154 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 10 -18.726 -0.630 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -20.788 -1.735 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.740 -0.025 -0.991 1.00 0.00 H new ATOM 155 N GLN A 11 -18.570 -0.566 0.770 1.00 0.00 N ATOM 156 CA GLN A 11 -18.095 0.222 1.915 1.00 0.00 C ATOM 157 C GLN A 11 -16.661 -0.188 2.308 1.00 0.00 C ATOM 158 O GLN A 11 -15.952 0.583 2.955 1.00 0.00 O ATOM 159 CB GLN A 11 -19.072 0.037 3.097 1.00 0.00 C ATOM 160 CG GLN A 11 -19.393 1.347 3.840 1.00 0.00 C ATOM 161 CD GLN A 11 -20.795 1.405 4.464 1.00 0.00 C ATOM 162 OE1 GLN A 11 -21.763 1.702 3.767 1.00 0.00 O ATOM 163 NE2 GLN A 11 -20.926 1.129 5.765 1.00 0.00 N ATOM 0 H GLN A 11 -19.226 -1.301 1.033 1.00 0.00 H new ATOM 0 HA GLN A 11 -18.065 1.276 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -20.000 -0.398 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -18.645 -0.676 3.802 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -18.654 1.492 4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -19.285 2.179 3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -20.105 0.885 6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -21.847 1.162 6.203 1.00 0.00 H new ATOM 172 N ARG A 12 -16.218 -1.396 1.897 1.00 0.00 N ATOM 173 CA ARG A 12 -14.800 -1.779 1.813 1.00 0.00 C ATOM 174 C ARG A 12 -13.976 -0.622 1.197 1.00 0.00 C ATOM 175 O ARG A 12 -13.054 -0.064 1.789 1.00 0.00 O ATOM 176 CB ARG A 12 -14.650 -3.049 0.954 1.00 0.00 C ATOM 177 CG ARG A 12 -14.916 -4.361 1.705 1.00 0.00 C ATOM 178 CD ARG A 12 -13.859 -4.642 2.779 1.00 0.00 C ATOM 179 NE ARG A 12 -14.439 -5.406 3.896 1.00 0.00 N ATOM 180 CZ ARG A 12 -14.707 -6.725 3.892 1.00 0.00 C ATOM 181 NH1 ARG A 12 -14.322 -7.513 2.876 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.376 -7.262 4.921 1.00 0.00 N ATOM 0 H ARG A 12 -16.851 -2.143 1.610 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.427 -1.984 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.335 -2.984 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.640 -3.078 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.901 -4.317 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.936 -5.187 0.994 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.030 -5.199 2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.451 -3.701 3.149 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.657 -4.890 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.815 -7.115 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.536 -8.510 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.677 -6.672 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.585 -8.260 4.928 1.00 0.00 H new ATOM 196 N TRP A 13 -14.380 -0.250 -0.052 1.00 0.00 N ATOM 197 CA TRP A 13 -13.786 0.871 -0.789 1.00 0.00 C ATOM 198 C TRP A 13 -14.199 2.232 -0.194 1.00 0.00 C ATOM 199 O TRP A 13 -13.544 3.243 -0.477 1.00 0.00 O ATOM 200 CB TRP A 13 -14.144 0.806 -2.293 1.00 0.00 C ATOM 201 CG TRP A 13 -13.239 1.638 -3.164 1.00 0.00 C ATOM 202 CD1 TRP A 13 -13.595 2.720 -3.895 1.00 0.00 C ATOM 203 CD2 TRP A 13 -11.793 1.503 -3.335 1.00 0.00 C ATOM 204 NE1 TRP A 13 -12.483 3.278 -4.487 1.00 0.00 N ATOM 205 CE2 TRP A 13 -11.339 2.574 -4.171 1.00 0.00 C ATOM 206 CE3 TRP A 13 -10.817 0.586 -2.874 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -9.981 2.743 -4.498 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -9.465 0.691 -3.280 1.00 0.00 C ATOM 209 CH2 TRP A 13 -9.047 1.771 -4.085 1.00 0.00 C ATOM 0 H TRP A 13 -15.124 -0.726 -0.562 1.00 0.00 H new ATOM 0 HA TRP A 13 -12.704 0.779 -0.689 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.100 -0.232 -2.624 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.173 1.140 -2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -14.604 3.092 -3.999 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -12.503 4.106 -5.083 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -11.109 -0.207 -2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.658 3.607 -5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -8.751 -0.059 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.013 1.853 -4.385 1.00 0.00 H new ATOM 220 N GLN A 14 -15.264 2.279 0.641 1.00 0.00 N ATOM 221 CA GLN A 14 -15.607 3.471 1.443 1.00 0.00 C ATOM 222 C GLN A 14 -14.526 3.732 2.514 1.00 0.00 C ATOM 223 O GLN A 14 -13.954 4.825 2.561 1.00 0.00 O ATOM 224 CB GLN A 14 -17.004 3.301 2.075 1.00 0.00 C ATOM 225 CG GLN A 14 -17.122 3.919 3.484 1.00 0.00 C ATOM 226 CD GLN A 14 -17.626 5.370 3.520 1.00 0.00 C ATOM 227 OE1 GLN A 14 -18.753 5.634 3.104 1.00 0.00 O ATOM 228 NE2 GLN A 14 -16.823 6.319 4.012 1.00 0.00 N ATOM 0 H GLN A 14 -15.904 1.496 0.775 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.638 4.343 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -17.747 3.759 1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.241 2.239 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.795 3.302 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.144 3.878 3.964 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.893 6.074 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.141 7.288 4.048 1.00 0.00 H new ATOM 237 N SER A 15 -14.233 2.728 3.363 1.00 0.00 N ATOM 238 CA SER A 15 -13.103 2.720 4.310 1.00 0.00 C ATOM 239 C SER A 15 -11.764 3.114 3.632 1.00 0.00 C ATOM 240 O SER A 15 -10.948 3.827 4.215 1.00 0.00 O ATOM 241 CB SER A 15 -12.998 1.345 4.995 1.00 0.00 C ATOM 242 OG SER A 15 -13.191 1.439 6.393 1.00 0.00 O ATOM 0 H SER A 15 -14.792 1.876 3.410 1.00 0.00 H new ATOM 0 HA SER A 15 -13.300 3.478 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.740 0.670 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.019 0.911 4.791 1.00 0.00 H new ATOM 0 HG SER A 15 -13.119 0.548 6.794 1.00 0.00 H new ATOM 248 N VAL A 16 -11.573 2.632 2.385 1.00 0.00 N ATOM 249 CA VAL A 16 -10.333 2.715 1.604 1.00 0.00 C ATOM 250 C VAL A 16 -10.302 4.013 0.769 1.00 0.00 C ATOM 251 O VAL A 16 -9.215 4.507 0.443 1.00 0.00 O ATOM 252 CB VAL A 16 -10.187 1.461 0.700 1.00 0.00 C ATOM 253 CG1 VAL A 16 -9.268 1.721 -0.508 1.00 0.00 C ATOM 254 CG2 VAL A 16 -9.627 0.248 1.465 1.00 0.00 C ATOM 0 H VAL A 16 -12.317 2.153 1.878 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.486 2.742 2.289 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.198 1.241 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.196 0.816 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.681 2.528 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.276 2.003 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.544 -0.602 0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.642 0.492 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.298 -0.006 2.286 1.00 0.00 H new ATOM 264 N LEU A 17 -11.474 4.565 0.401 1.00 0.00 N ATOM 265 CA LEU A 17 -11.631 5.902 -0.192 1.00 0.00 C ATOM 266 C LEU A 17 -11.458 6.998 0.884 1.00 0.00 C ATOM 267 O LEU A 17 -10.868 8.047 0.625 1.00 0.00 O ATOM 268 CB LEU A 17 -13.021 6.039 -0.851 1.00 0.00 C ATOM 269 CG LEU A 17 -13.113 5.538 -2.308 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.515 5.839 -2.859 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.063 6.197 -3.216 1.00 0.00 C ATOM 0 H LEU A 17 -12.362 4.076 0.512 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.860 6.028 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.746 5.491 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.315 7.088 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.921 4.465 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.585 5.487 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.262 5.330 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.694 6.914 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.167 5.813 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.211 7.277 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.065 5.969 -2.843 1.00 0.00 H new ATOM 283 N ALA A 18 -11.991 6.734 2.095 1.00 0.00 N ATOM 284 CA ALA A 18 -11.756 7.490 3.332 1.00 0.00 C ATOM 285 C ALA A 18 -10.271 7.416 3.752 1.00 0.00 C ATOM 286 O ALA A 18 -9.834 8.169 4.623 1.00 0.00 O ATOM 287 CB ALA A 18 -12.659 6.955 4.456 1.00 0.00 C ATOM 0 H ALA A 18 -12.627 5.949 2.238 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.002 8.536 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.478 7.522 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.704 7.061 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.436 5.903 4.632 1.00 0.00 H new ATOM 293 N ARG A 19 -9.513 6.483 3.138 1.00 0.00 N ATOM 294 CA ARG A 19 -8.080 6.248 3.373 1.00 0.00 C ATOM 295 C ARG A 19 -7.795 6.081 4.885 1.00 0.00 C ATOM 296 O ARG A 19 -6.670 6.295 5.335 1.00 0.00 O ATOM 297 CB ARG A 19 -7.226 7.366 2.740 1.00 0.00 C ATOM 298 CG ARG A 19 -7.936 8.724 2.617 1.00 0.00 C ATOM 299 CD ARG A 19 -7.125 9.683 1.732 1.00 0.00 C ATOM 300 NE ARG A 19 -7.808 10.975 1.570 1.00 0.00 N ATOM 301 CZ ARG A 19 -7.215 12.139 1.240 1.00 0.00 C ATOM 302 NH1 ARG A 19 -5.891 12.215 1.027 1.00 0.00 N ATOM 303 NH2 ARG A 19 -7.962 13.247 1.121 1.00 0.00 N ATOM 0 H ARG A 19 -9.901 5.850 2.439 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.796 5.316 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.323 7.496 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.910 7.045 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.930 8.583 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.071 9.161 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.141 9.843 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.965 9.230 0.754 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.817 10.991 1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.312 11.380 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.465 13.108 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.969 13.203 1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.523 14.133 0.872 1.00 0.00 H new ATOM 317 N ASP A 20 -8.833 5.676 5.647 1.00 0.00 N ATOM 318 CA ASP A 20 -8.789 5.402 7.090 1.00 0.00 C ATOM 319 C ASP A 20 -7.539 4.564 7.455 1.00 0.00 C ATOM 320 O ASP A 20 -7.579 3.339 7.325 1.00 0.00 O ATOM 321 CB ASP A 20 -10.094 4.688 7.512 1.00 0.00 C ATOM 322 CG ASP A 20 -10.061 4.158 8.949 1.00 0.00 C ATOM 323 OD1 ASP A 20 -10.077 5.001 9.874 1.00 0.00 O ATOM 324 OD2 ASP A 20 -10.028 2.918 9.102 1.00 0.00 O ATOM 0 H ASP A 20 -9.761 5.526 5.252 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.712 6.343 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.929 5.381 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.282 3.858 6.831 1.00 0.00 H new ATOM 329 N PRO A 21 -6.408 5.191 7.869 1.00 0.00 N ATOM 330 CA PRO A 21 -5.104 4.527 8.027 1.00 0.00 C ATOM 331 C PRO A 21 -5.119 3.427 9.115 1.00 0.00 C ATOM 332 O PRO A 21 -4.360 2.460 9.055 1.00 0.00 O ATOM 333 CB PRO A 21 -4.106 5.641 8.382 1.00 0.00 C ATOM 334 CG PRO A 21 -4.980 6.706 9.040 1.00 0.00 C ATOM 335 CD PRO A 21 -6.299 6.588 8.276 1.00 0.00 C ATOM 0 HA PRO A 21 -4.830 4.010 7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.330 5.284 9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.603 6.026 7.495 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.112 6.518 10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.545 7.701 8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.141 6.877 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.307 7.248 7.409 1.00 0.00 H new ATOM 343 N ASN A 22 -5.998 3.606 10.126 1.00 0.00 N ATOM 344 CA ASN A 22 -6.101 2.813 11.358 1.00 0.00 C ATOM 345 C ASN A 22 -6.799 1.460 11.102 1.00 0.00 C ATOM 346 O ASN A 22 -6.929 0.649 12.026 1.00 0.00 O ATOM 347 CB ASN A 22 -6.880 3.617 12.423 1.00 0.00 C ATOM 348 CG ASN A 22 -7.112 2.845 13.727 1.00 0.00 C ATOM 349 OD1 ASN A 22 -8.195 2.906 14.307 1.00 0.00 O ATOM 350 ND2 ASN A 22 -6.099 2.110 14.193 1.00 0.00 N ATOM 0 H ASN A 22 -6.692 4.353 10.096 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.093 2.604 11.717 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.334 4.534 12.646 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.844 3.913 12.009 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.210 1.577 15.055 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.214 2.082 13.687 1.00 0.00 H new ATOM 357 N ALA A 23 -7.233 1.199 9.854 1.00 0.00 N ATOM 358 CA ALA A 23 -7.767 -0.091 9.389 1.00 0.00 C ATOM 359 C ALA A 23 -6.669 -0.941 8.715 1.00 0.00 C ATOM 360 O ALA A 23 -6.974 -1.955 8.081 1.00 0.00 O ATOM 361 CB ALA A 23 -8.936 0.151 8.421 1.00 0.00 C ATOM 0 H ALA A 23 -7.220 1.906 9.119 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.128 -0.648 10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.329 -0.806 8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.723 0.704 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.586 0.727 7.564 1.00 0.00 H new ATOM 367 N ASP A 24 -5.389 -0.544 8.864 1.00 0.00 N ATOM 368 CA ASP A 24 -4.213 -1.274 8.354 1.00 0.00 C ATOM 369 C ASP A 24 -4.159 -2.736 8.862 1.00 0.00 C ATOM 370 O ASP A 24 -3.502 -3.588 8.263 1.00 0.00 O ATOM 371 CB ASP A 24 -2.933 -0.499 8.742 1.00 0.00 C ATOM 372 CG ASP A 24 -2.766 -0.321 10.256 1.00 0.00 C ATOM 373 OD1 ASP A 24 -2.286 -1.283 10.895 1.00 0.00 O ATOM 374 OD2 ASP A 24 -3.121 0.771 10.752 1.00 0.00 O ATOM 0 H ASP A 24 -5.139 0.315 9.355 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.290 -1.335 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.064 -1.026 8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.953 0.482 8.268 1.00 0.00 H new ATOM 379 N GLY A 25 -4.885 -3.012 9.965 1.00 0.00 N ATOM 380 CA GLY A 25 -4.871 -4.277 10.708 1.00 0.00 C ATOM 381 C GLY A 25 -6.151 -5.103 10.455 1.00 0.00 C ATOM 382 O GLY A 25 -6.166 -6.314 10.683 1.00 0.00 O ATOM 0 H GLY A 25 -5.521 -2.328 10.374 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.998 -4.861 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.775 -4.072 11.774 1.00 0.00 H new ATOM 386 N GLU A 26 -7.229 -4.436 10.000 1.00 0.00 N ATOM 387 CA GLU A 26 -8.538 -5.028 9.686 1.00 0.00 C ATOM 388 C GLU A 26 -8.469 -5.851 8.383 1.00 0.00 C ATOM 389 O GLU A 26 -9.068 -6.925 8.294 1.00 0.00 O ATOM 390 CB GLU A 26 -9.607 -3.916 9.595 1.00 0.00 C ATOM 391 CG GLU A 26 -11.040 -4.465 9.736 1.00 0.00 C ATOM 392 CD GLU A 26 -12.107 -3.395 9.995 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.901 -2.233 9.578 1.00 0.00 O ATOM 394 OE2 GLU A 26 -13.129 -3.767 10.613 1.00 0.00 O ATOM 0 H GLU A 26 -7.208 -3.430 9.835 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.820 -5.711 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.426 -3.177 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.511 -3.401 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.299 -5.006 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.061 -5.186 10.553 1.00 0.00 H new ATOM 401 N PHE A 27 -7.743 -5.349 7.357 1.00 0.00 N ATOM 402 CA PHE A 27 -7.672 -5.945 6.014 1.00 0.00 C ATOM 403 C PHE A 27 -6.465 -5.419 5.198 1.00 0.00 C ATOM 404 O PHE A 27 -5.699 -4.567 5.646 1.00 0.00 O ATOM 405 CB PHE A 27 -8.973 -5.669 5.228 1.00 0.00 C ATOM 406 CG PHE A 27 -9.430 -4.217 5.147 1.00 0.00 C ATOM 407 CD1 PHE A 27 -8.916 -3.236 6.023 1.00 0.00 C ATOM 408 CD2 PHE A 27 -10.370 -3.836 4.152 1.00 0.00 C ATOM 409 CE1 PHE A 27 -9.312 -1.887 5.894 1.00 0.00 C ATOM 410 CE2 PHE A 27 -10.790 -2.494 4.048 1.00 0.00 C ATOM 411 CZ PHE A 27 -10.257 -1.517 4.915 1.00 0.00 C ATOM 0 H PHE A 27 -7.182 -4.502 7.447 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.543 -7.018 6.156 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.842 -6.041 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.774 -6.253 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.216 -3.519 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.764 -4.577 3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.890 -1.137 6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.521 -2.214 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.572 -0.488 4.829 1.00 0.00 H new ATOM 421 N VAL A 28 -6.333 -5.934 3.953 1.00 0.00 N ATOM 422 CA VAL A 28 -5.561 -5.366 2.840 1.00 0.00 C ATOM 423 C VAL A 28 -6.491 -5.158 1.623 1.00 0.00 C ATOM 424 O VAL A 28 -7.651 -5.582 1.656 1.00 0.00 O ATOM 425 CB VAL A 28 -4.354 -6.271 2.472 1.00 0.00 C ATOM 426 CG1 VAL A 28 -3.584 -6.734 3.727 1.00 0.00 C ATOM 427 CG2 VAL A 28 -4.769 -7.516 1.666 1.00 0.00 C ATOM 0 H VAL A 28 -6.791 -6.807 3.691 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.157 -4.402 3.148 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.708 -5.651 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.747 -7.365 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.208 -5.864 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.252 -7.301 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.886 -8.112 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.467 -8.113 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.248 -7.205 0.738 1.00 0.00 H new ATOM 437 N PHE A 29 -6.000 -4.502 0.549 1.00 0.00 N ATOM 438 CA PHE A 29 -6.656 -4.444 -0.768 1.00 0.00 C ATOM 439 C PHE A 29 -5.642 -4.699 -1.908 1.00 0.00 C ATOM 440 O PHE A 29 -4.486 -4.282 -1.828 1.00 0.00 O ATOM 441 CB PHE A 29 -7.356 -3.083 -0.966 1.00 0.00 C ATOM 442 CG PHE A 29 -6.454 -1.905 -1.313 1.00 0.00 C ATOM 443 CD1 PHE A 29 -6.004 -1.722 -2.641 1.00 0.00 C ATOM 444 CD2 PHE A 29 -6.094 -0.970 -0.317 1.00 0.00 C ATOM 445 CE1 PHE A 29 -5.212 -0.603 -2.972 1.00 0.00 C ATOM 446 CE2 PHE A 29 -5.287 0.141 -0.649 1.00 0.00 C ATOM 447 CZ PHE A 29 -4.868 0.339 -1.980 1.00 0.00 C ATOM 0 H PHE A 29 -5.119 -3.989 0.578 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.409 -5.232 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.097 -3.191 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.899 -2.841 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.267 -2.440 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.436 -1.105 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.868 -0.467 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.990 0.840 0.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.285 1.210 -2.240 1.00 0.00 H new ATOM 457 N ALA A 30 -6.089 -5.412 -2.964 1.00 0.00 N ATOM 458 CA ALA A 30 -5.261 -6.051 -3.996 1.00 0.00 C ATOM 459 C ALA A 30 -5.707 -5.630 -5.413 1.00 0.00 C ATOM 460 O ALA A 30 -6.749 -6.084 -5.895 1.00 0.00 O ATOM 461 CB ALA A 30 -5.330 -7.579 -3.844 1.00 0.00 C ATOM 0 H ALA A 30 -7.085 -5.562 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.231 -5.722 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.715 -8.049 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.962 -7.864 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.363 -7.909 -3.954 1.00 0.00 H new ATOM 467 N VAL A 31 -4.911 -4.779 -6.090 1.00 0.00 N ATOM 468 CA VAL A 31 -5.123 -4.338 -7.477 1.00 0.00 C ATOM 469 C VAL A 31 -4.553 -5.387 -8.457 1.00 0.00 C ATOM 470 O VAL A 31 -3.363 -5.357 -8.775 1.00 0.00 O ATOM 471 CB VAL A 31 -4.475 -2.947 -7.702 1.00 0.00 C ATOM 472 CG1 VAL A 31 -4.446 -2.557 -9.192 1.00 0.00 C ATOM 473 CG2 VAL A 31 -5.206 -1.827 -6.938 1.00 0.00 C ATOM 0 H VAL A 31 -4.077 -4.368 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.193 -4.244 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.458 -3.044 -7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.984 -1.576 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.869 -3.295 -9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.464 -2.524 -9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.713 -0.874 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.242 -1.773 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.182 -2.040 -5.869 1.00 0.00 H new ATOM 483 N ARG A 32 -5.404 -6.324 -8.919 1.00 0.00 N ATOM 484 CA ARG A 32 -5.024 -7.527 -9.673 1.00 0.00 C ATOM 485 C ARG A 32 -4.536 -7.179 -11.095 1.00 0.00 C ATOM 486 O ARG A 32 -4.095 -8.072 -11.828 1.00 0.00 O ATOM 487 CB ARG A 32 -6.226 -8.495 -9.715 1.00 0.00 C ATOM 488 CG ARG A 32 -7.195 -8.188 -10.868 1.00 0.00 C ATOM 489 CD ARG A 32 -7.822 -9.471 -11.434 1.00 0.00 C ATOM 490 NE ARG A 32 -8.694 -9.175 -12.581 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.039 -9.126 -12.561 1.00 0.00 C ATOM 492 NH1 ARG A 32 -10.731 -9.338 -11.431 1.00 0.00 N ATOM 493 NH2 ARG A 32 -10.704 -8.861 -13.695 1.00 0.00 N ATOM 0 H ARG A 32 -6.411 -6.258 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.188 -8.011 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.861 -9.517 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.765 -8.440 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.983 -7.522 -10.515 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.664 -7.661 -11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.034 -10.159 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.398 -9.972 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.237 -8.990 -13.474 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.238 -9.542 -10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.750 -9.295 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.191 -8.699 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.723 -8.822 -13.691 1.00 0.00 H new ATOM 507 N THR A 33 -4.591 -5.893 -11.490 1.00 0.00 N ATOM 508 CA THR A 33 -4.280 -5.402 -12.842 1.00 0.00 C ATOM 509 C THR A 33 -2.862 -4.794 -12.892 1.00 0.00 C ATOM 510 O THR A 33 -2.304 -4.611 -13.976 1.00 0.00 O ATOM 511 CB THR A 33 -5.351 -4.376 -13.287 1.00 0.00 C ATOM 512 OG1 THR A 33 -5.399 -4.296 -14.700 1.00 0.00 O ATOM 513 CG2 THR A 33 -5.092 -2.960 -12.742 1.00 0.00 C ATOM 0 H THR A 33 -4.863 -5.144 -10.854 1.00 0.00 H new ATOM 0 HA THR A 33 -4.298 -6.241 -13.537 1.00 0.00 H new ATOM 0 HB THR A 33 -6.296 -4.735 -12.879 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.081 -3.645 -14.968 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.877 -2.288 -13.089 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.090 -2.984 -11.652 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.125 -2.604 -13.098 1.00 0.00 H new ATOM 521 N THR A 34 -2.273 -4.498 -11.717 1.00 0.00 N ATOM 522 CA THR A 34 -0.845 -4.209 -11.523 1.00 0.00 C ATOM 523 C THR A 34 -0.104 -5.447 -10.970 1.00 0.00 C ATOM 524 O THR A 34 1.110 -5.570 -11.144 1.00 0.00 O ATOM 525 CB THR A 34 -0.675 -2.991 -10.582 1.00 0.00 C ATOM 526 OG1 THR A 34 0.695 -2.651 -10.463 1.00 0.00 O ATOM 527 CG2 THR A 34 -1.224 -3.242 -9.167 1.00 0.00 C ATOM 0 H THR A 34 -2.802 -4.453 -10.846 1.00 0.00 H new ATOM 0 HA THR A 34 -0.402 -3.964 -12.489 1.00 0.00 H new ATOM 0 HB THR A 34 -1.247 -2.181 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.776 -1.726 -10.149 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.075 -2.352 -8.556 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.289 -3.469 -9.225 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.698 -4.083 -8.716 1.00 0.00 H new ATOM 535 N GLY A 35 -0.835 -6.341 -10.279 1.00 0.00 N ATOM 536 CA GLY A 35 -0.294 -7.358 -9.363 1.00 0.00 C ATOM 537 C GLY A 35 0.431 -6.709 -8.165 1.00 0.00 C ATOM 538 O GLY A 35 1.584 -7.036 -7.879 1.00 0.00 O ATOM 0 H GLY A 35 -1.852 -6.375 -10.346 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.104 -7.991 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.398 -8.004 -9.903 1.00 0.00 H new ATOM 542 N ILE A 36 -0.254 -5.769 -7.480 1.00 0.00 N ATOM 543 CA ILE A 36 0.163 -5.135 -6.222 1.00 0.00 C ATOM 544 C ILE A 36 -0.911 -5.364 -5.136 1.00 0.00 C ATOM 545 O ILE A 36 -2.084 -5.571 -5.459 1.00 0.00 O ATOM 546 CB ILE A 36 0.418 -3.618 -6.441 1.00 0.00 C ATOM 547 CG1 ILE A 36 1.574 -3.344 -7.434 1.00 0.00 C ATOM 548 CG2 ILE A 36 0.709 -2.913 -5.100 1.00 0.00 C ATOM 549 CD1 ILE A 36 1.932 -1.857 -7.573 1.00 0.00 C ATOM 0 H ILE A 36 -1.154 -5.419 -7.808 1.00 0.00 H new ATOM 0 HA ILE A 36 1.095 -5.589 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.495 -3.213 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.458 -3.892 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.300 -3.735 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.884 -1.852 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.145 -3.033 -4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.593 -3.355 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.750 -1.745 -8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.062 -1.305 -7.929 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.239 -1.464 -6.604 1.00 0.00 H new ATOM 561 N PHE A 37 -0.519 -5.301 -3.846 1.00 0.00 N ATOM 562 CA PHE A 37 -1.419 -5.157 -2.693 1.00 0.00 C ATOM 563 C PHE A 37 -0.940 -4.038 -1.737 1.00 0.00 C ATOM 564 O PHE A 37 0.220 -3.627 -1.767 1.00 0.00 O ATOM 565 CB PHE A 37 -1.539 -6.496 -1.935 1.00 0.00 C ATOM 566 CG PHE A 37 -0.267 -7.053 -1.304 1.00 0.00 C ATOM 567 CD1 PHE A 37 0.968 -6.380 -1.414 1.00 0.00 C ATOM 568 CD2 PHE A 37 -0.338 -8.267 -0.569 1.00 0.00 C ATOM 569 CE1 PHE A 37 2.121 -6.910 -0.794 1.00 0.00 C ATOM 570 CE2 PHE A 37 0.812 -8.784 0.060 1.00 0.00 C ATOM 571 CZ PHE A 37 2.049 -8.120 -0.075 1.00 0.00 C ATOM 0 H PHE A 37 0.463 -5.351 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.402 -4.875 -3.071 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.282 -6.373 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.929 -7.243 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.032 -5.458 -1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.277 -8.795 -0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.062 -6.386 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.746 -9.689 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.939 -8.538 0.372 1.00 0.00 H new ATOM 581 N CYS A 38 -1.869 -3.532 -0.899 1.00 0.00 N ATOM 582 CA CYS A 38 -1.793 -2.276 -0.143 1.00 0.00 C ATOM 583 C CYS A 38 -2.462 -2.431 1.245 1.00 0.00 C ATOM 584 O CYS A 38 -3.054 -3.468 1.547 1.00 0.00 O ATOM 585 CB CYS A 38 -2.454 -1.145 -0.958 1.00 0.00 C ATOM 586 SG CYS A 38 -1.459 -0.651 -2.397 1.00 0.00 S ATOM 0 H CYS A 38 -2.745 -4.025 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.747 -2.021 0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.438 -1.472 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.609 -0.280 -0.313 1.00 0.00 H new ATOM 591 N ARG A 39 -2.388 -1.368 2.067 1.00 0.00 N ATOM 592 CA ARG A 39 -3.223 -1.110 3.251 1.00 0.00 C ATOM 593 C ARG A 39 -4.405 -0.185 2.869 1.00 0.00 C ATOM 594 O ARG A 39 -4.257 0.584 1.904 1.00 0.00 O ATOM 595 CB ARG A 39 -2.347 -0.446 4.338 1.00 0.00 C ATOM 596 CG ARG A 39 -2.267 -1.249 5.644 1.00 0.00 C ATOM 597 CD ARG A 39 -0.885 -1.193 6.308 1.00 0.00 C ATOM 598 NE ARG A 39 -0.662 -2.403 7.111 1.00 0.00 N ATOM 599 CZ ARG A 39 0.522 -2.990 7.361 1.00 0.00 C ATOM 600 NH1 ARG A 39 1.665 -2.494 6.864 1.00 0.00 N ATOM 601 NH2 ARG A 39 0.552 -4.093 8.123 1.00 0.00 N ATOM 0 H ARG A 39 -1.706 -0.626 1.913 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.631 -2.046 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.340 -0.307 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.744 0.546 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.013 -0.869 6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.522 -2.289 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.110 -1.105 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.812 -0.308 6.941 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.487 -2.842 7.520 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.647 -1.655 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.552 -2.955 7.066 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.314 -4.474 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.441 -4.551 8.323 1.00 0.00 H new ATOM 615 N PRO A 40 -5.555 -0.173 3.581 1.00 0.00 N ATOM 616 CA PRO A 40 -6.734 0.639 3.233 1.00 0.00 C ATOM 617 C PRO A 40 -6.418 2.102 2.842 1.00 0.00 C ATOM 618 O PRO A 40 -7.174 2.732 2.101 1.00 0.00 O ATOM 619 CB PRO A 40 -7.672 0.566 4.454 1.00 0.00 C ATOM 620 CG PRO A 40 -6.800 0.017 5.582 1.00 0.00 C ATOM 621 CD PRO A 40 -5.818 -0.880 4.827 1.00 0.00 C ATOM 0 HA PRO A 40 -7.194 0.235 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.072 1.548 4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.524 -0.085 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.289 0.812 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.384 -0.543 6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.902 -1.032 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.245 -1.866 4.641 1.00 0.00 H new ATOM 629 N SER A 41 -5.306 2.639 3.376 1.00 0.00 N ATOM 630 CA SER A 41 -4.994 4.070 3.486 1.00 0.00 C ATOM 631 C SER A 41 -4.234 4.603 2.252 1.00 0.00 C ATOM 632 O SER A 41 -3.792 5.761 2.263 1.00 0.00 O ATOM 633 CB SER A 41 -4.198 4.319 4.785 1.00 0.00 C ATOM 634 OG SER A 41 -2.902 4.835 4.558 1.00 0.00 O ATOM 0 H SER A 41 -4.565 2.054 3.761 1.00 0.00 H new ATOM 0 HA SER A 41 -5.933 4.622 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.753 5.014 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.117 3.383 5.338 1.00 0.00 H new ATOM 0 HG SER A 41 -2.948 5.554 3.893 1.00 0.00 H new ATOM 640 N CYS A 42 -4.049 3.780 1.200 1.00 0.00 N ATOM 641 CA CYS A 42 -3.027 3.968 0.154 1.00 0.00 C ATOM 642 C CYS A 42 -2.993 5.432 -0.341 1.00 0.00 C ATOM 643 O CYS A 42 -3.837 5.839 -1.140 1.00 0.00 O ATOM 644 CB CYS A 42 -3.273 2.983 -1.007 1.00 0.00 C ATOM 645 SG CYS A 42 -1.952 3.072 -2.261 1.00 0.00 S ATOM 0 H CYS A 42 -4.620 2.948 1.052 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.048 3.755 0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.335 1.968 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.233 3.204 -1.474 1.00 0.00 H new ATOM 650 N ARG A 43 -2.014 6.218 0.149 1.00 0.00 N ATOM 651 CA ARG A 43 -1.910 7.674 -0.014 1.00 0.00 C ATOM 652 C ARG A 43 -1.609 8.049 -1.481 1.00 0.00 C ATOM 653 O ARG A 43 -2.038 9.102 -1.954 1.00 0.00 O ATOM 654 CB ARG A 43 -0.829 8.220 0.943 1.00 0.00 C ATOM 655 CG ARG A 43 0.592 8.084 0.371 1.00 0.00 C ATOM 656 CD ARG A 43 1.649 8.696 1.301 1.00 0.00 C ATOM 657 NE ARG A 43 2.319 7.653 2.093 1.00 0.00 N ATOM 658 CZ ARG A 43 2.642 7.737 3.397 1.00 0.00 C ATOM 659 NH1 ARG A 43 2.390 8.846 4.110 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.227 6.691 3.999 1.00 0.00 N ATOM 0 H ARG A 43 -1.241 5.834 0.693 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.866 8.132 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.033 9.270 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.887 7.687 1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.818 7.030 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.639 8.573 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.387 9.240 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.178 9.418 1.968 1.00 0.00 H new ATOM 0 HE ARG A 43 2.561 6.788 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.945 9.648 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.644 8.886 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.423 5.842 3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.476 6.745 4.987 1.00 0.00 H new ATOM 674 N ALA A 44 -0.854 7.189 -2.191 1.00 0.00 N ATOM 675 CA ALA A 44 -0.603 7.264 -3.637 1.00 0.00 C ATOM 676 C ALA A 44 -1.913 7.118 -4.441 1.00 0.00 C ATOM 677 O ALA A 44 -2.871 6.510 -3.962 1.00 0.00 O ATOM 678 CB ALA A 44 0.406 6.179 -4.046 1.00 0.00 C ATOM 0 H ALA A 44 -0.386 6.395 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.185 8.245 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.589 6.238 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.342 6.332 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.003 5.196 -3.800 1.00 0.00 H new ATOM 684 N ARG A 45 -1.945 7.672 -5.669 1.00 0.00 N ATOM 685 CA ARG A 45 -3.124 7.744 -6.543 1.00 0.00 C ATOM 686 C ARG A 45 -3.836 6.377 -6.628 1.00 0.00 C ATOM 687 O ARG A 45 -3.186 5.350 -6.832 1.00 0.00 O ATOM 688 CB ARG A 45 -2.696 8.249 -7.938 1.00 0.00 C ATOM 689 CG ARG A 45 -3.729 7.923 -9.029 1.00 0.00 C ATOM 690 CD ARG A 45 -4.344 9.193 -9.634 1.00 0.00 C ATOM 691 NE ARG A 45 -3.903 9.379 -11.025 1.00 0.00 N ATOM 692 CZ ARG A 45 -3.004 10.285 -11.454 1.00 0.00 C ATOM 693 NH1 ARG A 45 -2.428 11.153 -10.609 1.00 0.00 N ATOM 694 NH2 ARG A 45 -2.678 10.322 -12.754 1.00 0.00 N ATOM 0 H ARG A 45 -1.119 8.096 -6.091 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.841 8.448 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.543 9.328 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.739 7.801 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.253 7.340 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.520 7.303 -8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.431 9.127 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.057 10.060 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.316 8.766 -11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.668 11.136 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.750 11.830 -10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.110 9.668 -13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.998 11.004 -13.090 1.00 0.00 H new ATOM 708 N HIS A 46 -5.173 6.368 -6.465 1.00 0.00 N ATOM 709 CA HIS A 46 -6.005 5.172 -6.275 1.00 0.00 C ATOM 710 C HIS A 46 -6.107 4.342 -7.573 1.00 0.00 C ATOM 711 O HIS A 46 -6.186 4.906 -8.665 1.00 0.00 O ATOM 712 CB HIS A 46 -7.406 5.571 -5.750 1.00 0.00 C ATOM 713 CG HIS A 46 -7.458 5.777 -4.255 1.00 0.00 C ATOM 714 ND1 HIS A 46 -8.665 6.033 -3.600 1.00 0.00 N ATOM 715 CD2 HIS A 46 -6.448 5.759 -3.329 1.00 0.00 C ATOM 716 CE1 HIS A 46 -8.336 6.153 -2.311 1.00 0.00 C ATOM 717 NE2 HIS A 46 -7.019 6.000 -2.096 1.00 0.00 N ATOM 0 H HIS A 46 -5.721 7.228 -6.463 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.526 4.539 -5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.722 6.489 -6.246 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.122 4.797 -6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.400 5.588 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.051 6.352 -1.527 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.536 6.052 -1.199 1.00 0.00 H new ATOM 725 N ALA A 47 -6.132 3.001 -7.443 1.00 0.00 N ATOM 726 CA ALA A 47 -6.585 2.052 -8.469 1.00 0.00 C ATOM 727 C ALA A 47 -8.016 1.553 -8.170 1.00 0.00 C ATOM 728 O ALA A 47 -8.299 1.121 -7.051 1.00 0.00 O ATOM 729 CB ALA A 47 -5.606 0.870 -8.557 1.00 0.00 C ATOM 0 H ALA A 47 -5.825 2.536 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.607 2.566 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.948 0.170 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.614 1.238 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.561 0.363 -7.593 1.00 0.00 H new ATOM 735 N LEU A 48 -8.917 1.639 -9.168 1.00 0.00 N ATOM 736 CA LEU A 48 -10.376 1.554 -9.015 1.00 0.00 C ATOM 737 C LEU A 48 -10.769 0.368 -8.106 1.00 0.00 C ATOM 738 O LEU A 48 -10.086 -0.656 -8.088 1.00 0.00 O ATOM 739 CB LEU A 48 -11.043 1.396 -10.399 1.00 0.00 C ATOM 740 CG LEU A 48 -10.722 2.507 -11.423 1.00 0.00 C ATOM 741 CD1 LEU A 48 -11.583 2.301 -12.679 1.00 0.00 C ATOM 742 CD2 LEU A 48 -10.985 3.912 -10.860 1.00 0.00 C ATOM 0 H LEU A 48 -8.634 1.775 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.724 2.475 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.740 0.438 -10.822 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.123 1.356 -10.260 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.661 2.438 -11.663 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.360 3.083 -13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.363 1.327 -13.116 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.638 2.347 -12.409 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.744 4.658 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.035 4.002 -10.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.362 4.074 -9.980 1.00 0.00 H new ATOM 754 N ARG A 49 -11.866 0.527 -7.338 1.00 0.00 N ATOM 755 CA ARG A 49 -12.557 -0.532 -6.590 1.00 0.00 C ATOM 756 C ARG A 49 -12.726 -1.805 -7.447 1.00 0.00 C ATOM 757 O ARG A 49 -12.586 -2.921 -6.946 1.00 0.00 O ATOM 758 CB ARG A 49 -13.922 0.000 -6.101 1.00 0.00 C ATOM 759 CG ARG A 49 -14.812 -1.106 -5.511 1.00 0.00 C ATOM 760 CD ARG A 49 -15.561 -1.871 -6.610 1.00 0.00 C ATOM 761 NE ARG A 49 -16.958 -2.117 -6.219 1.00 0.00 N ATOM 762 CZ ARG A 49 -17.434 -3.252 -5.676 1.00 0.00 C ATOM 763 NH1 ARG A 49 -16.622 -4.281 -5.385 1.00 0.00 N ATOM 764 NH2 ARG A 49 -18.746 -3.359 -5.423 1.00 0.00 N ATOM 0 H ARG A 49 -12.310 1.438 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.953 -0.810 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.758 0.770 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.442 0.474 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.199 -1.800 -4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.530 -0.666 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.534 -1.301 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.061 -2.820 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.624 -1.360 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.622 -4.211 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.005 -5.132 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.372 -2.584 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.118 -4.215 -5.011 1.00 0.00 H new ATOM 778 N GLU A 50 -13.052 -1.625 -8.746 1.00 0.00 N ATOM 779 CA GLU A 50 -13.499 -2.667 -9.671 1.00 0.00 C ATOM 780 C GLU A 50 -12.346 -3.595 -10.090 1.00 0.00 C ATOM 781 O GLU A 50 -12.573 -4.687 -10.613 1.00 0.00 O ATOM 782 CB GLU A 50 -14.133 -2.001 -10.907 1.00 0.00 C ATOM 783 CG GLU A 50 -14.791 -3.026 -11.838 1.00 0.00 C ATOM 784 CD GLU A 50 -15.461 -2.406 -13.079 1.00 0.00 C ATOM 785 OE1 GLU A 50 -14.693 -1.955 -13.956 1.00 0.00 O ATOM 786 OE2 GLU A 50 -16.711 -2.392 -13.129 1.00 0.00 O ATOM 0 H GLU A 50 -13.006 -0.707 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.237 -3.288 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.878 -1.273 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.368 -1.452 -11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.037 -3.742 -12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.539 -3.585 -11.275 1.00 0.00 H new ATOM 793 N ASN A 51 -11.092 -3.144 -9.872 1.00 0.00 N ATOM 794 CA ASN A 51 -9.845 -3.901 -10.038 1.00 0.00 C ATOM 795 C ASN A 51 -9.315 -4.405 -8.677 1.00 0.00 C ATOM 796 O ASN A 51 -8.527 -5.351 -8.628 1.00 0.00 O ATOM 797 CB ASN A 51 -8.786 -3.011 -10.720 1.00 0.00 C ATOM 798 CG ASN A 51 -9.292 -2.329 -12.003 1.00 0.00 C ATOM 799 OD1 ASN A 51 -9.905 -2.958 -12.860 1.00 0.00 O ATOM 800 ND2 ASN A 51 -9.035 -1.019 -12.116 1.00 0.00 N ATOM 0 H ASN A 51 -10.920 -2.189 -9.558 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.049 -4.770 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.458 -2.246 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.913 -3.618 -10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.353 -0.506 -12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.522 -0.535 -11.380 1.00 0.00 H new ATOM 807 N VAL A 52 -9.739 -3.755 -7.576 1.00 0.00 N ATOM 808 CA VAL A 52 -9.268 -3.981 -6.202 1.00 0.00 C ATOM 809 C VAL A 52 -10.176 -5.007 -5.491 1.00 0.00 C ATOM 810 O VAL A 52 -11.397 -4.977 -5.660 1.00 0.00 O ATOM 811 CB VAL A 52 -9.223 -2.636 -5.429 1.00 0.00 C ATOM 812 CG1 VAL A 52 -10.222 -2.609 -4.258 1.00 0.00 C ATOM 813 CG2 VAL A 52 -7.825 -2.329 -4.861 1.00 0.00 C ATOM 0 H VAL A 52 -10.451 -3.026 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.258 -4.389 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.491 -1.878 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.156 -1.649 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.234 -2.748 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.985 -3.411 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.849 -1.377 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.530 -3.121 -4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.105 -2.271 -5.678 1.00 0.00 H new ATOM 823 N SER A 53 -9.581 -5.906 -4.682 1.00 0.00 N ATOM 824 CA SER A 53 -10.279 -6.833 -3.780 1.00 0.00 C ATOM 825 C SER A 53 -9.555 -6.963 -2.420 1.00 0.00 C ATOM 826 O SER A 53 -8.363 -6.677 -2.315 1.00 0.00 O ATOM 827 CB SER A 53 -10.428 -8.210 -4.454 1.00 0.00 C ATOM 828 OG SER A 53 -9.322 -9.046 -4.175 1.00 0.00 O ATOM 0 H SER A 53 -8.567 -6.007 -4.640 1.00 0.00 H new ATOM 0 HA SER A 53 -11.270 -6.426 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.344 -8.689 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.524 -8.080 -5.532 1.00 0.00 H new ATOM 0 HG SER A 53 -9.448 -9.912 -4.615 1.00 0.00 H new ATOM 834 N PHE A 54 -10.310 -7.375 -1.377 1.00 0.00 N ATOM 835 CA PHE A 54 -9.972 -7.204 0.044 1.00 0.00 C ATOM 836 C PHE A 54 -9.708 -8.557 0.746 1.00 0.00 C ATOM 837 O PHE A 54 -10.483 -9.506 0.625 1.00 0.00 O ATOM 838 CB PHE A 54 -11.109 -6.452 0.766 1.00 0.00 C ATOM 839 CG PHE A 54 -11.525 -5.141 0.111 1.00 0.00 C ATOM 840 CD1 PHE A 54 -12.437 -5.146 -0.971 1.00 0.00 C ATOM 841 CD2 PHE A 54 -10.975 -3.917 0.554 1.00 0.00 C ATOM 842 CE1 PHE A 54 -12.698 -3.955 -1.682 1.00 0.00 C ATOM 843 CE2 PHE A 54 -11.252 -2.722 -0.146 1.00 0.00 C ATOM 844 CZ PHE A 54 -12.105 -2.743 -1.269 1.00 0.00 C ATOM 0 H PHE A 54 -11.202 -7.852 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.052 -6.622 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.979 -7.106 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.797 -6.247 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.934 -6.062 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.342 -3.895 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.351 -3.971 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.810 -1.792 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.304 -1.831 -1.813 1.00 0.00 H new ATOM 854 N TYR A 55 -8.580 -8.642 1.476 1.00 0.00 N ATOM 855 CA TYR A 55 -8.088 -9.755 2.296 1.00 0.00 C ATOM 856 C TYR A 55 -8.127 -9.404 3.802 1.00 0.00 C ATOM 857 O TYR A 55 -8.526 -8.310 4.197 1.00 0.00 O ATOM 858 CB TYR A 55 -6.635 -10.089 1.878 1.00 0.00 C ATOM 859 CG TYR A 55 -6.429 -10.190 0.371 1.00 0.00 C ATOM 860 CD1 TYR A 55 -7.279 -11.045 -0.382 1.00 0.00 C ATOM 861 CD2 TYR A 55 -5.423 -9.456 -0.292 1.00 0.00 C ATOM 862 CE1 TYR A 55 -7.113 -11.160 -1.777 1.00 0.00 C ATOM 863 CE2 TYR A 55 -5.271 -9.557 -1.691 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.105 -10.420 -2.433 1.00 0.00 C ATOM 865 OH TYR A 55 -5.936 -10.536 -3.783 1.00 0.00 O ATOM 0 H TYR A 55 -7.931 -7.856 1.506 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.735 -10.617 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.969 -9.323 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.344 -11.033 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.054 -11.608 0.116 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.766 -8.813 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.757 -11.815 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.515 -8.973 -2.195 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.796 -10.743 -4.204 1.00 0.00 H new ATOM 875 N ALA A 56 -7.678 -10.372 4.638 1.00 0.00 N ATOM 876 CA ALA A 56 -7.332 -10.186 6.052 1.00 0.00 C ATOM 877 C ALA A 56 -5.965 -9.485 6.212 1.00 0.00 C ATOM 878 O ALA A 56 -5.835 -8.560 7.017 1.00 0.00 O ATOM 879 CB ALA A 56 -7.328 -11.546 6.770 1.00 0.00 C ATOM 0 H ALA A 56 -7.545 -11.334 4.327 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.085 -9.542 6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.071 -11.403 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.317 -11.999 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.594 -12.202 6.303 1.00 0.00 H new ATOM 885 N ASN A 57 -4.946 -9.929 5.451 1.00 0.00 N ATOM 886 CA ASN A 57 -3.566 -9.425 5.488 1.00 0.00 C ATOM 887 C ASN A 57 -2.835 -9.705 4.158 1.00 0.00 C ATOM 888 O ASN A 57 -3.410 -10.295 3.242 1.00 0.00 O ATOM 889 CB ASN A 57 -2.804 -10.083 6.658 1.00 0.00 C ATOM 890 CG ASN A 57 -2.819 -11.615 6.604 1.00 0.00 C ATOM 891 OD1 ASN A 57 -1.933 -12.231 6.015 1.00 0.00 O ATOM 892 ND2 ASN A 57 -3.831 -12.238 7.214 1.00 0.00 N ATOM 0 H ASN A 57 -5.070 -10.677 4.769 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.598 -8.345 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.771 -9.736 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.244 -9.755 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.885 -13.256 7.200 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.549 -11.695 7.694 1.00 0.00 H new ATOM 899 N ALA A 58 -1.564 -9.265 4.050 1.00 0.00 N ATOM 900 CA ALA A 58 -0.742 -9.339 2.835 1.00 0.00 C ATOM 901 C ALA A 58 -0.234 -10.775 2.578 1.00 0.00 C ATOM 902 O ALA A 58 0.258 -11.063 1.484 1.00 0.00 O ATOM 903 CB ALA A 58 0.441 -8.363 2.949 1.00 0.00 C ATOM 0 H ALA A 58 -1.071 -8.836 4.833 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.364 -9.056 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.049 -8.421 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.064 -7.347 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.050 -8.628 3.813 1.00 0.00 H new ATOM 909 N SER A 59 -0.327 -11.667 3.582 1.00 0.00 N ATOM 910 CA SER A 59 -0.032 -13.105 3.477 1.00 0.00 C ATOM 911 C SER A 59 -1.111 -13.859 2.672 1.00 0.00 C ATOM 912 O SER A 59 -0.790 -14.770 1.905 1.00 0.00 O ATOM 913 CB SER A 59 0.142 -13.716 4.882 1.00 0.00 C ATOM 914 OG SER A 59 0.737 -14.998 4.824 1.00 0.00 O ATOM 0 H SER A 59 -0.620 -11.395 4.520 1.00 0.00 H new ATOM 0 HA SER A 59 0.904 -13.215 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.758 -13.056 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.830 -13.787 5.371 1.00 0.00 H new ATOM 0 HG SER A 59 0.834 -15.355 5.731 1.00 0.00 H new ATOM 920 N GLU A 60 -2.387 -13.467 2.839 1.00 0.00 N ATOM 921 CA GLU A 60 -3.528 -13.905 2.015 1.00 0.00 C ATOM 922 C GLU A 60 -3.350 -13.403 0.565 1.00 0.00 C ATOM 923 O GLU A 60 -3.595 -14.122 -0.404 1.00 0.00 O ATOM 924 CB GLU A 60 -4.854 -13.398 2.621 1.00 0.00 C ATOM 925 CG GLU A 60 -5.888 -14.523 2.810 1.00 0.00 C ATOM 926 CD GLU A 60 -6.280 -15.239 1.511 1.00 0.00 C ATOM 927 OE1 GLU A 60 -6.177 -14.613 0.433 1.00 0.00 O ATOM 928 OE2 GLU A 60 -6.680 -16.419 1.625 1.00 0.00 O ATOM 0 H GLU A 60 -2.661 -12.816 3.575 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.563 -14.994 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.653 -12.929 3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.274 -12.629 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.487 -15.256 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.785 -14.104 3.266 1.00 0.00 H new ATOM 935 N ALA A 61 -2.889 -12.134 0.438 1.00 0.00 N ATOM 936 CA ALA A 61 -2.616 -11.470 -0.843 1.00 0.00 C ATOM 937 C ALA A 61 -1.285 -11.960 -1.454 1.00 0.00 C ATOM 938 O ALA A 61 -1.110 -11.911 -2.674 1.00 0.00 O ATOM 939 CB ALA A 61 -2.603 -9.946 -0.644 1.00 0.00 C ATOM 0 H ALA A 61 -2.696 -11.539 1.244 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.409 -11.727 -1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.400 -9.456 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.573 -9.620 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.827 -9.679 0.074 1.00 0.00 H new ATOM 945 N LEU A 62 -0.365 -12.458 -0.609 1.00 0.00 N ATOM 946 CA LEU A 62 0.785 -13.295 -0.999 1.00 0.00 C ATOM 947 C LEU A 62 0.305 -14.678 -1.486 1.00 0.00 C ATOM 948 O LEU A 62 0.842 -15.227 -2.449 1.00 0.00 O ATOM 949 CB LEU A 62 1.744 -13.456 0.201 1.00 0.00 C ATOM 950 CG LEU A 62 3.085 -12.696 0.078 1.00 0.00 C ATOM 951 CD1 LEU A 62 3.894 -12.881 1.371 1.00 0.00 C ATOM 952 CD2 LEU A 62 3.927 -13.182 -1.113 1.00 0.00 C ATOM 0 H LEU A 62 -0.402 -12.284 0.395 1.00 0.00 H new ATOM 0 HA LEU A 62 1.315 -12.807 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.233 -13.116 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.957 -14.516 0.336 1.00 0.00 H new ATOM 0 HG LEU A 62 2.850 -11.645 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.840 -12.346 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.327 -12.486 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.089 -13.942 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.858 -12.617 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.151 -14.242 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.370 -13.032 -2.038 1.00 0.00 H new ATOM 964 N ALA A 63 -0.733 -15.229 -0.819 1.00 0.00 N ATOM 965 CA ALA A 63 -1.507 -16.400 -1.251 1.00 0.00 C ATOM 966 C ALA A 63 -2.191 -16.151 -2.613 1.00 0.00 C ATOM 967 O ALA A 63 -2.507 -17.103 -3.331 1.00 0.00 O ATOM 968 CB ALA A 63 -2.553 -16.762 -0.184 1.00 0.00 C ATOM 0 H ALA A 63 -1.063 -14.851 0.069 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.818 -17.236 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.122 -17.631 -0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.050 -16.992 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.229 -15.920 -0.037 1.00 0.00 H new ATOM 974 N ALA A 64 -2.435 -14.873 -2.959 1.00 0.00 N ATOM 975 CA ALA A 64 -2.903 -14.418 -4.278 1.00 0.00 C ATOM 976 C ALA A 64 -1.739 -14.294 -5.286 1.00 0.00 C ATOM 977 O ALA A 64 -1.967 -14.220 -6.494 1.00 0.00 O ATOM 978 CB ALA A 64 -3.632 -13.072 -4.133 1.00 0.00 C ATOM 0 H ALA A 64 -2.306 -14.103 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.594 -15.165 -4.669 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.977 -12.738 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.487 -13.191 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.949 -12.331 -3.717 1.00 0.00 H new ATOM 984 N GLY A 65 -0.490 -14.272 -4.780 1.00 0.00 N ATOM 985 CA GLY A 65 0.747 -14.126 -5.556 1.00 0.00 C ATOM 986 C GLY A 65 0.951 -12.684 -6.066 1.00 0.00 C ATOM 987 O GLY A 65 1.203 -12.476 -7.255 1.00 0.00 O ATOM 0 H GLY A 65 -0.314 -14.359 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.597 -14.414 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.724 -14.809 -6.405 1.00 0.00 H new ATOM 991 N PHE A 66 0.841 -11.687 -5.166 1.00 0.00 N ATOM 992 CA PHE A 66 1.043 -10.258 -5.444 1.00 0.00 C ATOM 993 C PHE A 66 2.371 -9.760 -4.834 1.00 0.00 C ATOM 994 O PHE A 66 2.972 -10.449 -4.008 1.00 0.00 O ATOM 995 CB PHE A 66 -0.140 -9.438 -4.889 1.00 0.00 C ATOM 996 CG PHE A 66 -1.468 -9.637 -5.607 1.00 0.00 C ATOM 997 CD1 PHE A 66 -1.703 -10.819 -6.347 1.00 0.00 C ATOM 998 CD2 PHE A 66 -2.479 -8.650 -5.529 1.00 0.00 C ATOM 999 CE1 PHE A 66 -2.955 -11.029 -6.968 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -3.690 -8.818 -6.235 1.00 0.00 C ATOM 1001 CZ PHE A 66 -3.939 -10.020 -6.931 1.00 0.00 C ATOM 0 H PHE A 66 0.600 -11.865 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 66 1.094 -10.123 -6.524 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.274 -9.691 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.121 -8.381 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.925 -11.562 -6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.324 -7.766 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.158 -11.963 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.425 -8.027 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.883 -10.167 -7.435 1.00 0.00 H new ATOM 1011 N ARG A 67 2.838 -8.569 -5.258 1.00 0.00 N ATOM 1012 CA ARG A 67 4.036 -7.883 -4.753 1.00 0.00 C ATOM 1013 C ARG A 67 3.665 -6.587 -3.989 1.00 0.00 C ATOM 1014 O ARG A 67 2.576 -6.054 -4.209 1.00 0.00 O ATOM 1015 CB ARG A 67 4.976 -7.562 -5.938 1.00 0.00 C ATOM 1016 CG ARG A 67 5.360 -8.814 -6.732 1.00 0.00 C ATOM 1017 CD ARG A 67 5.166 -8.674 -8.247 1.00 0.00 C ATOM 1018 NE ARG A 67 6.071 -9.600 -8.944 1.00 0.00 N ATOM 1019 CZ ARG A 67 5.761 -10.387 -9.987 1.00 0.00 C ATOM 1020 NH1 ARG A 67 4.527 -10.396 -10.513 1.00 0.00 N ATOM 1021 NH2 ARG A 67 6.712 -11.176 -10.507 1.00 0.00 N ATOM 0 H ARG A 67 2.368 -8.040 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 67 4.545 -8.542 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.488 -6.849 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.879 -7.082 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.404 -9.054 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.765 -9.655 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.131 -8.890 -8.514 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.368 -7.649 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 67 7.030 -9.650 -8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.801 -9.797 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.315 -11.002 -11.305 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.652 -11.171 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.496 -11.781 -11.299 1.00 0.00 H new ATOM 1035 N PRO A 68 4.518 -6.082 -3.066 1.00 0.00 N ATOM 1036 CA PRO A 68 4.195 -4.999 -2.119 1.00 0.00 C ATOM 1037 C PRO A 68 4.372 -3.562 -2.665 1.00 0.00 C ATOM 1038 O PRO A 68 5.463 -3.176 -3.085 1.00 0.00 O ATOM 1039 CB PRO A 68 5.078 -5.258 -0.885 1.00 0.00 C ATOM 1040 CG PRO A 68 6.010 -6.410 -1.261 1.00 0.00 C ATOM 1041 CD PRO A 68 5.875 -6.539 -2.772 1.00 0.00 C ATOM 0 HA PRO A 68 3.129 -5.029 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.648 -4.367 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.470 -5.517 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.039 -6.197 -0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.722 -7.333 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.618 -5.931 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.024 -7.569 -3.096 1.00 0.00 H new ATOM 1049 N CYS A 69 3.280 -2.770 -2.635 1.00 0.00 N ATOM 1050 CA CYS A 69 3.185 -1.372 -3.081 1.00 0.00 C ATOM 1051 C CYS A 69 4.379 -0.555 -2.543 1.00 0.00 C ATOM 1052 O CYS A 69 4.858 -0.830 -1.435 1.00 0.00 O ATOM 1053 CB CYS A 69 1.801 -0.825 -2.641 1.00 0.00 C ATOM 1054 SG CYS A 69 1.555 0.958 -2.923 1.00 0.00 S ATOM 0 H CYS A 69 2.389 -3.114 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 69 3.247 -1.292 -4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.024 -1.373 -3.174 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.666 -1.032 -1.579 1.00 0.00 H new ATOM 1059 N LYS A 70 4.885 0.432 -3.308 1.00 0.00 N ATOM 1060 CA LYS A 70 6.094 1.217 -3.007 1.00 0.00 C ATOM 1061 C LYS A 70 5.884 2.130 -1.775 1.00 0.00 C ATOM 1062 O LYS A 70 6.816 2.796 -1.322 1.00 0.00 O ATOM 1063 CB LYS A 70 6.494 2.033 -4.255 1.00 0.00 C ATOM 1064 CG LYS A 70 7.638 3.027 -3.986 1.00 0.00 C ATOM 1065 CD LYS A 70 8.280 3.547 -5.280 1.00 0.00 C ATOM 1066 CE LYS A 70 9.474 2.661 -5.663 1.00 0.00 C ATOM 1067 NZ LYS A 70 9.572 2.466 -7.120 1.00 0.00 N ATOM 0 H LYS A 70 4.445 0.713 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 70 6.906 0.535 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.795 1.348 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.624 2.580 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.255 3.869 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.400 2.543 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.545 3.550 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.609 4.577 -5.145 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.394 3.114 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.378 1.692 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.391 1.862 -7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.705 2.010 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.690 3.388 -7.587 1.00 0.00 H new ATOM 1081 N ARG A 71 4.651 2.174 -1.251 1.00 0.00 N ATOM 1082 CA ARG A 71 4.079 3.177 -0.336 1.00 0.00 C ATOM 1083 C ARG A 71 3.585 2.468 0.956 1.00 0.00 C ATOM 1084 O ARG A 71 3.940 2.786 2.086 1.00 0.00 O ATOM 1085 CB ARG A 71 2.880 3.831 -1.060 1.00 0.00 C ATOM 1086 CG ARG A 71 2.705 5.328 -0.812 1.00 0.00 C ATOM 1087 CD ARG A 71 3.594 6.166 -1.746 1.00 0.00 C ATOM 1088 NE ARG A 71 3.095 7.545 -1.856 1.00 0.00 N ATOM 1089 CZ ARG A 71 3.473 8.446 -2.781 1.00 0.00 C ATOM 1090 NH1 ARG A 71 4.323 8.120 -3.768 1.00 0.00 N ATOM 1091 NH2 ARG A 71 2.994 9.697 -2.716 1.00 0.00 N ATOM 0 H ARG A 71 3.969 1.449 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 71 4.821 3.928 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.991 3.668 -2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.968 3.319 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.661 5.602 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.950 5.556 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.616 6.175 -1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.623 5.707 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 71 2.401 7.845 -1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.696 7.173 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.596 8.820 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.349 9.958 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.275 10.387 -3.412 1.00 0.00 H new ATOM 1105 N CYS A 72 2.688 1.465 0.715 1.00 0.00 N ATOM 1106 CA CYS A 72 1.823 0.806 1.699 1.00 0.00 C ATOM 1107 C CYS A 72 2.580 -0.280 2.494 1.00 0.00 C ATOM 1108 O CYS A 72 2.729 -0.163 3.712 1.00 0.00 O ATOM 1109 CB CYS A 72 0.596 0.206 0.971 1.00 0.00 C ATOM 1110 SG CYS A 72 -0.614 1.465 0.478 1.00 0.00 S ATOM 0 H CYS A 72 2.555 1.088 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 72 1.490 1.549 2.424 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.933 -0.334 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.112 -0.521 1.623 1.00 0.00 H new ATOM 1115 N GLN A 73 3.016 -1.352 1.807 1.00 0.00 N ATOM 1116 CA GLN A 73 3.358 -2.656 2.400 1.00 0.00 C ATOM 1117 C GLN A 73 4.761 -2.628 3.059 1.00 0.00 C ATOM 1118 O GLN A 73 4.858 -2.915 4.260 1.00 0.00 O ATOM 1119 CB GLN A 73 3.288 -3.708 1.273 1.00 0.00 C ATOM 1120 CG GLN A 73 2.295 -4.864 1.488 1.00 0.00 C ATOM 1121 CD GLN A 73 1.278 -4.718 2.629 1.00 0.00 C ATOM 1122 OE1 GLN A 73 0.180 -4.217 2.402 1.00 0.00 O ATOM 1123 NE2 GLN A 73 1.619 -5.139 3.853 1.00 0.00 N ATOM 0 H GLN A 73 3.143 -1.333 0.795 1.00 0.00 H new ATOM 0 HA GLN A 73 2.654 -2.905 3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.027 -3.200 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.283 -4.131 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.742 -5.010 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.870 -5.774 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.538 -5.551 4.013 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.960 -5.047 4.626 1.00 0.00 H new ATOM 1132 N PRO A 74 5.860 -2.329 2.329 1.00 0.00 N ATOM 1133 CA PRO A 74 7.233 -2.244 2.859 1.00 0.00 C ATOM 1134 C PRO A 74 7.576 -0.849 3.425 1.00 0.00 C ATOM 1135 O PRO A 74 8.500 -0.712 4.228 1.00 0.00 O ATOM 1136 CB PRO A 74 8.129 -2.612 1.666 1.00 0.00 C ATOM 1137 CG PRO A 74 7.361 -2.070 0.459 1.00 0.00 C ATOM 1138 CD PRO A 74 5.901 -1.978 0.913 1.00 0.00 C ATOM 0 HA PRO A 74 7.372 -2.913 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.116 -2.157 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.279 -3.689 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.741 -1.094 0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.464 -2.731 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.513 -0.972 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.275 -2.655 0.332 1.00 0.00 H new ATOM 1146 N ASP A 75 6.838 0.187 2.977 1.00 0.00 N ATOM 1147 CA ASP A 75 7.202 1.606 3.088 1.00 0.00 C ATOM 1148 C ASP A 75 8.438 1.929 2.220 1.00 0.00 C ATOM 1149 O ASP A 75 9.467 2.358 2.742 1.00 0.00 O ATOM 1150 CB ASP A 75 7.441 1.956 4.574 1.00 0.00 C ATOM 1151 CG ASP A 75 7.035 3.388 4.936 1.00 0.00 C ATOM 1152 OD1 ASP A 75 6.004 3.846 4.395 1.00 0.00 O ATOM 1153 OD2 ASP A 75 7.761 4.006 5.747 1.00 0.00 O ATOM 0 H ASP A 75 5.941 0.049 2.512 1.00 0.00 H new ATOM 0 HA ASP A 75 6.383 2.220 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.881 1.259 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.497 1.816 4.807 1.00 0.00 H new ATOM 1158 N LYS A 76 8.340 1.691 0.897 1.00 0.00 N ATOM 1159 CA LYS A 76 9.480 1.576 -0.026 1.00 0.00 C ATOM 1160 C LYS A 76 9.940 2.977 -0.485 1.00 0.00 C ATOM 1161 O LYS A 76 9.139 3.912 -0.542 1.00 0.00 O ATOM 1162 CB LYS A 76 9.094 0.679 -1.224 1.00 0.00 C ATOM 1163 CG LYS A 76 10.048 -0.514 -1.416 1.00 0.00 C ATOM 1164 CD LYS A 76 9.477 -1.551 -2.397 1.00 0.00 C ATOM 1165 CE LYS A 76 10.577 -2.067 -3.337 1.00 0.00 C ATOM 1166 NZ LYS A 76 11.861 -2.251 -2.637 1.00 0.00 N ATOM 0 H LYS A 76 7.441 1.571 0.431 1.00 0.00 H new ATOM 0 HA LYS A 76 10.320 1.108 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.080 0.306 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.086 1.280 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.009 -0.155 -1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.234 -0.989 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.044 -2.384 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.672 -1.103 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.264 -3.015 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.710 -1.364 -4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.410 -2.998 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.398 -1.361 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.682 -2.524 -1.650 1.00 0.00 H new ATOM 1180 N ALA A 77 11.244 3.121 -0.795 1.00 0.00 N ATOM 1181 CA ALA A 77 11.903 4.379 -1.170 1.00 0.00 C ATOM 1182 C ALA A 77 11.829 4.617 -2.694 1.00 0.00 C ATOM 1183 O ALA A 77 11.634 3.672 -3.460 1.00 0.00 O ATOM 1184 CB ALA A 77 13.366 4.362 -0.696 1.00 0.00 C ATOM 0 H ALA A 77 11.888 2.330 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 77 11.379 5.201 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.850 5.297 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.396 4.249 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.890 3.528 -1.163 1.00 0.00 H new ATOM 1190 N ASN A 78 11.969 5.885 -3.126 1.00 0.00 N ATOM 1191 CA ASN A 78 11.878 6.327 -4.524 1.00 0.00 C ATOM 1192 C ASN A 78 12.914 5.588 -5.408 1.00 0.00 C ATOM 1193 O ASN A 78 13.792 4.914 -4.866 1.00 0.00 O ATOM 1194 CB ASN A 78 12.111 7.851 -4.606 1.00 0.00 C ATOM 1195 CG ASN A 78 13.400 8.304 -3.911 1.00 0.00 C ATOM 1196 OD1 ASN A 78 14.495 7.890 -4.288 1.00 0.00 O ATOM 1197 ND2 ASN A 78 13.275 9.154 -2.888 1.00 0.00 N ATOM 0 H ASN A 78 12.155 6.656 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 78 10.881 6.090 -4.895 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.146 8.151 -5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.263 8.366 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.104 9.481 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.350 9.476 -2.603 1.00 0.00 H new ATOM 1204 N PRO A 79 12.838 5.683 -6.760 1.00 0.00 N ATOM 1205 CA PRO A 79 13.813 5.089 -7.690 1.00 0.00 C ATOM 1206 C PRO A 79 15.276 5.379 -7.281 1.00 0.00 C ATOM 1207 O PRO A 79 15.732 6.518 -7.392 1.00 0.00 O ATOM 1208 CB PRO A 79 13.485 5.697 -9.063 1.00 0.00 C ATOM 1209 CG PRO A 79 11.985 5.977 -8.969 1.00 0.00 C ATOM 1210 CD PRO A 79 11.833 6.423 -7.515 1.00 0.00 C ATOM 0 HA PRO A 79 13.735 4.002 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 79 14.054 6.608 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.716 5.007 -9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.670 6.752 -9.668 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.390 5.090 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.986 7.498 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.831 6.209 -7.144 1.00 0.00 H new ATOM 1218 N ARG A 80 15.988 4.346 -6.794 1.00 0.00 N ATOM 1219 CA ARG A 80 17.296 4.403 -6.123 1.00 0.00 C ATOM 1220 C ARG A 80 17.559 5.792 -5.496 1.00 0.00 C ATOM 1221 O ARG A 80 16.903 6.159 -4.520 1.00 0.00 O ATOM 1222 CB ARG A 80 18.392 4.018 -7.142 1.00 0.00 C ATOM 1223 CG ARG A 80 19.811 4.034 -6.555 1.00 0.00 C ATOM 1224 CD ARG A 80 20.853 4.428 -7.611 1.00 0.00 C ATOM 1225 NE ARG A 80 20.442 3.973 -8.948 1.00 0.00 N ATOM 1226 CZ ARG A 80 20.981 2.948 -9.633 1.00 0.00 C ATOM 1227 NH1 ARG A 80 21.901 2.143 -9.078 1.00 0.00 N ATOM 1228 NH2 ARG A 80 20.590 2.724 -10.895 1.00 0.00 N ATOM 0 H ARG A 80 15.641 3.389 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 80 17.307 3.693 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 80 18.180 3.022 -7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.349 4.706 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.853 4.735 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.051 3.049 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 80 20.982 5.510 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 80 21.819 3.993 -7.355 1.00 0.00 H new ATOM 0 HE ARG A 80 19.679 4.480 -9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.205 2.302 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.296 1.372 -9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.890 3.328 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.992 1.950 -11.424 1.00 0.00 H new ATOM 1242 N GLN A 81 18.501 6.557 -6.079 1.00 0.00 N ATOM 1243 CA GLN A 81 18.955 7.888 -5.648 1.00 0.00 C ATOM 1244 C GLN A 81 18.857 8.054 -4.115 1.00 0.00 C ATOM 1245 O GLN A 81 17.959 8.745 -3.625 1.00 0.00 O ATOM 1246 CB GLN A 81 18.129 8.963 -6.388 1.00 0.00 C ATOM 1247 CG GLN A 81 18.873 10.305 -6.529 1.00 0.00 C ATOM 1248 CD GLN A 81 17.963 11.540 -6.581 1.00 0.00 C ATOM 1249 OE1 GLN A 81 17.469 11.892 -7.651 1.00 0.00 O ATOM 1250 NE2 GLN A 81 17.737 12.214 -5.450 1.00 0.00 N ATOM 0 H GLN A 81 18.994 6.241 -6.914 1.00 0.00 H new ATOM 0 HA GLN A 81 20.008 8.006 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.868 8.593 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 81 17.194 9.127 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 81 19.562 10.413 -5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 81 19.477 10.277 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.159 11.900 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 81 17.142 13.042 -5.460 1.00 0.00 H new ATOM 1259 N HIS A 82 19.766 7.412 -3.357 1.00 0.00 N ATOM 1260 CA HIS A 82 19.770 7.368 -1.887 1.00 0.00 C ATOM 1261 C HIS A 82 19.896 8.783 -1.282 1.00 0.00 C ATOM 1262 O HIS A 82 19.433 9.024 -0.166 1.00 0.00 O ATOM 1263 CB HIS A 82 20.895 6.433 -1.379 1.00 0.00 C ATOM 1264 CG HIS A 82 20.619 4.971 -1.637 1.00 0.00 C ATOM 1265 ND1 HIS A 82 20.283 4.100 -0.598 1.00 0.00 N ATOM 1266 CD2 HIS A 82 20.624 4.272 -2.816 1.00 0.00 C ATOM 1267 CE1 HIS A 82 20.091 2.919 -1.191 1.00 0.00 C ATOM 1268 NE2 HIS A 82 20.282 2.969 -2.519 1.00 0.00 N ATOM 0 H HIS A 82 20.543 6.893 -3.767 1.00 0.00 H new ATOM 0 HA HIS A 82 18.815 6.962 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 82 21.833 6.709 -1.861 1.00 0.00 H new ATOM 0 HB3 HIS A 82 21.030 6.587 -0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 82 20.853 4.667 -3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.812 2.021 -0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 82 20.192 2.196 -3.178 1.00 0.00 H new ATOM 1276 N ARG A 83 20.541 9.711 -2.015 1.00 0.00 N ATOM 1277 CA ARG A 83 21.043 10.998 -1.514 1.00 0.00 C ATOM 1278 C ARG A 83 21.954 10.798 -0.283 1.00 0.00 C ATOM 1279 O ARG A 83 21.458 10.615 0.831 1.00 0.00 O ATOM 1280 CB ARG A 83 19.848 11.918 -1.186 1.00 0.00 C ATOM 1281 CG ARG A 83 20.285 13.258 -0.572 1.00 0.00 C ATOM 1282 CD ARG A 83 19.814 13.393 0.882 1.00 0.00 C ATOM 1283 NE ARG A 83 20.649 14.356 1.616 1.00 0.00 N ATOM 1284 CZ ARG A 83 21.058 14.232 2.892 1.00 0.00 C ATOM 1285 NH1 ARG A 83 20.641 13.216 3.664 1.00 0.00 N ATOM 1286 NH2 ARG A 83 21.896 15.144 3.404 1.00 0.00 N ATOM 0 H ARG A 83 20.732 9.577 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 83 21.650 11.470 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 83 19.280 12.108 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 83 19.179 11.406 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 83 21.371 13.340 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.881 14.079 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 83 18.774 13.717 0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 83 19.855 12.421 1.374 1.00 0.00 H new ATOM 0 HE ARG A 83 20.944 15.193 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 83 20.001 12.518 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.964 13.142 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.217 15.922 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 83 22.213 15.060 4.370 1.00 0.00 H new ATOM 1300 N LEU A 84 23.282 10.816 -0.491 1.00 0.00 N ATOM 1301 CA LEU A 84 24.327 10.467 0.488 1.00 0.00 C ATOM 1302 C LEU A 84 25.748 10.593 -0.113 1.00 0.00 C ATOM 1303 O LEU A 84 26.093 9.857 -1.038 1.00 0.00 O ATOM 1304 CB LEU A 84 24.112 9.036 1.022 1.00 0.00 C ATOM 1305 CG LEU A 84 24.781 8.715 2.375 1.00 0.00 C ATOM 1306 CD1 LEU A 84 25.912 7.701 2.146 1.00 0.00 C ATOM 1307 CD2 LEU A 84 25.363 9.967 3.053 1.00 0.00 C ATOM 0 H LEU A 84 23.676 11.088 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 84 24.246 11.177 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 84 23.040 8.862 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 84 24.484 8.331 0.278 1.00 0.00 H new ATOM 0 HG LEU A 84 24.014 8.308 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 26.390 7.468 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 25.501 6.789 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 84 26.649 8.125 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 25.822 9.687 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 84 26.115 10.416 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 84 24.565 10.687 3.235 1.00 0.00 H new ATOM 1319 N ASP A 85 26.568 11.514 0.427 1.00 0.00 N ATOM 1320 CA ASP A 85 27.971 11.751 0.058 1.00 0.00 C ATOM 1321 C ASP A 85 28.845 10.513 0.356 1.00 0.00 C ATOM 1322 O ASP A 85 28.333 9.396 0.437 1.00 0.00 O ATOM 1323 CB ASP A 85 28.480 13.004 0.806 1.00 0.00 C ATOM 1324 CG ASP A 85 28.904 12.722 2.251 1.00 0.00 C ATOM 1325 OD1 ASP A 85 28.016 12.345 3.048 1.00 0.00 O ATOM 1326 OD2 ASP A 85 30.108 12.894 2.540 1.00 0.00 O ATOM 0 H ASP A 85 26.253 12.141 1.167 1.00 0.00 H new ATOM 0 HA ASP A 85 28.040 11.927 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 85 29.327 13.423 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 85 27.696 13.761 0.807 1.00 0.00 H new ATOM 1331 N LYS A 86 30.165 10.721 0.530 1.00 0.00 N ATOM 1332 CA LYS A 86 31.192 9.675 0.636 1.00 0.00 C ATOM 1333 C LYS A 86 32.598 10.273 0.415 1.00 0.00 C ATOM 1334 O LYS A 86 33.090 10.302 -0.714 1.00 0.00 O ATOM 1335 CB LYS A 86 30.892 8.544 -0.371 1.00 0.00 C ATOM 1336 CG LYS A 86 30.548 7.214 0.323 1.00 0.00 C ATOM 1337 CD LYS A 86 31.053 5.994 -0.460 1.00 0.00 C ATOM 1338 CE LYS A 86 30.885 4.724 0.388 1.00 0.00 C ATOM 1339 NZ LYS A 86 31.716 3.615 -0.111 1.00 0.00 N ATOM 0 H LYS A 86 30.556 11.660 0.603 1.00 0.00 H new ATOM 0 HA LYS A 86 31.172 9.251 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 86 30.061 8.842 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 86 31.757 8.399 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 86 30.984 7.206 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.467 7.141 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 86 30.499 5.895 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 86 32.102 6.129 -0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 86 31.152 4.940 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 86 29.838 4.422 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 31.573 2.777 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 31.444 3.391 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 32.718 3.893 -0.085 1.00 0.00 H new ATOM 1353 N ILE A 87 33.238 10.755 1.498 1.00 0.00 N ATOM 1354 CA ILE A 87 34.495 11.516 1.481 1.00 0.00 C ATOM 1355 C ILE A 87 35.658 10.572 1.858 1.00 0.00 C ATOM 1356 O ILE A 87 35.468 9.630 2.629 1.00 0.00 O ATOM 1357 CB ILE A 87 34.422 12.729 2.449 1.00 0.00 C ATOM 1358 CG1 ILE A 87 32.975 13.240 2.642 1.00 0.00 C ATOM 1359 CG2 ILE A 87 35.322 13.875 1.944 1.00 0.00 C ATOM 1360 CD1 ILE A 87 32.816 14.247 3.791 1.00 0.00 C ATOM 0 H ILE A 87 32.877 10.618 2.442 1.00 0.00 H new ATOM 0 HA ILE A 87 34.665 11.913 0.480 1.00 0.00 H new ATOM 0 HB ILE A 87 34.780 12.385 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 87 32.638 13.705 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 87 32.321 12.388 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 87 35.260 14.717 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 87 36.354 13.529 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 87 34.989 14.190 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 87 31.773 14.557 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 87 33.120 13.781 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 87 33.442 15.119 3.600 1.00 0.00 H new ATOM 1372 N THR A 88 36.865 10.839 1.323 1.00 0.00 N ATOM 1373 CA THR A 88 38.111 10.118 1.619 1.00 0.00 C ATOM 1374 C THR A 88 38.685 10.588 2.974 1.00 0.00 C ATOM 1375 O THR A 88 38.000 11.274 3.734 1.00 0.00 O ATOM 1376 CB THR A 88 39.123 10.323 0.468 1.00 0.00 C ATOM 1377 OG1 THR A 88 39.885 11.495 0.692 1.00 0.00 O ATOM 1378 CG2 THR A 88 38.450 10.448 -0.910 1.00 0.00 C ATOM 0 H THR A 88 37.000 11.592 0.648 1.00 0.00 H new ATOM 0 HA THR A 88 37.906 9.050 1.698 1.00 0.00 H new ATOM 0 HB THR A 88 39.756 9.436 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.524 11.615 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.213 10.590 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 88 37.886 9.540 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 88 37.774 11.303 -0.908 1.00 0.00 H new ATOM 1386 N HIS A 89 39.947 10.222 3.266 1.00 0.00 N ATOM 1387 CA HIS A 89 40.606 10.387 4.569 1.00 0.00 C ATOM 1388 C HIS A 89 41.529 11.625 4.581 1.00 0.00 C ATOM 1389 O HIS A 89 41.720 12.247 5.627 1.00 0.00 O ATOM 1390 CB HIS A 89 41.379 9.099 4.946 1.00 0.00 C ATOM 1391 CG HIS A 89 42.697 8.958 4.222 1.00 0.00 C ATOM 1392 ND1 HIS A 89 42.804 9.210 2.852 1.00 0.00 N ATOM 1393 CD2 HIS A 89 43.924 8.582 4.701 1.00 0.00 C ATOM 1394 CE1 HIS A 89 44.088 8.983 2.563 1.00 0.00 C ATOM 1395 NE2 HIS A 89 44.802 8.604 3.636 1.00 0.00 N ATOM 0 H HIS A 89 40.556 9.787 2.573 1.00 0.00 H new ATOM 0 HA HIS A 89 39.837 10.556 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 89 41.561 9.094 6.021 1.00 0.00 H new ATOM 0 HB3 HIS A 89 40.756 8.232 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 89 44.160 8.318 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 89 44.507 9.092 1.574 1.00 0.00 H new ATOM 0 HE2 HIS A 89 45.796 8.377 3.659 1.00 0.00 H new ATOM 1403 N ALA A 90 42.102 11.975 3.414 1.00 0.00 N ATOM 1404 CA ALA A 90 43.115 13.026 3.240 1.00 0.00 C ATOM 1405 C ALA A 90 42.743 13.955 2.063 1.00 0.00 C ATOM 1406 O ALA A 90 42.192 13.496 1.061 1.00 0.00 O ATOM 1407 CB ALA A 90 44.499 12.398 3.005 1.00 0.00 C ATOM 0 H ALA A 90 41.861 11.515 2.536 1.00 0.00 H new ATOM 0 HA ALA A 90 43.149 13.623 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 90 45.240 13.187 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 90 44.769 11.782 3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 90 44.470 11.779 2.108 1.00 0.00 H new ATOM 1413 N CYS A 91 43.032 15.263 2.198 1.00 0.00 N ATOM 1414 CA CYS A 91 42.743 16.310 1.207 1.00 0.00 C ATOM 1415 C CYS A 91 44.049 16.793 0.540 1.00 0.00 C ATOM 1416 O CYS A 91 45.132 16.634 1.106 1.00 0.00 O ATOM 1417 CB CYS A 91 41.990 17.473 1.884 1.00 0.00 C ATOM 1418 SG CYS A 91 40.191 17.321 1.671 1.00 0.00 S ATOM 0 H CYS A 91 43.490 15.630 3.032 1.00 0.00 H new ATOM 0 HA CYS A 91 42.105 15.901 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 91 42.231 17.493 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 91 42.328 18.420 1.463 1.00 0.00 H new ATOM 0 HG CYS A 91 39.599 18.318 2.258 1.00 0.00 H new ATOM 1424 N ARG A 92 43.940 17.400 -0.658 1.00 0.00 N ATOM 1425 CA ARG A 92 45.042 18.029 -1.401 1.00 0.00 C ATOM 1426 C ARG A 92 45.878 18.912 -0.461 1.00 0.00 C ATOM 1427 O ARG A 92 45.420 19.976 -0.045 1.00 0.00 O ATOM 1428 CB ARG A 92 44.470 18.849 -2.593 1.00 0.00 C ATOM 1429 CG ARG A 92 45.411 19.951 -3.158 1.00 0.00 C ATOM 1430 CD ARG A 92 46.420 19.395 -4.179 1.00 0.00 C ATOM 1431 NE ARG A 92 46.709 17.962 -3.881 1.00 0.00 N ATOM 1432 CZ ARG A 92 47.914 17.398 -3.880 1.00 0.00 C ATOM 1433 NH1 ARG A 92 49.003 18.019 -4.237 1.00 0.00 N ATOM 1434 NH2 ARG A 92 48.013 16.162 -3.504 1.00 0.00 N ATOM 1435 OXT ARG A 92 47.189 18.497 -0.070 1.00 0.00 O ATOM 0 H ARG A 92 43.049 17.466 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 92 45.699 17.257 -1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 92 44.221 18.160 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 92 43.539 19.318 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 92 44.812 20.729 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 92 45.951 20.420 -2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 92 46.020 19.492 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 92 47.342 19.975 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 92 45.914 17.363 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 92 48.959 18.992 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 92 49.899 17.532 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 92 47.180 15.647 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 92 48.924 15.704 -3.493 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 -0.510 1.395 -1.884 1.00 0.00 ZN