USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 584 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 42 HIS : no HD1:sc= -0.487 K(o=-0.51,f=-9.7!) USER MOD Set 1.2: A 55 MET CE :methyl 174:sc= 0 (180deg=-0.0545) USER MOD Set 1.3: A 56 HIS : no HD1:sc= -0.0183 X(o=-0.51,f=-0.5) USER MOD Single : A 1 ALA N :NH3+ -177:sc= 0 (180deg=-0.0131) USER MOD Single : A 4 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= 2.03 K(o=2,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0144) USER MOD Single : A 17 THR OG1 : rot -3:sc= 0.0955 USER MOD Single : A 22 SER OG : rot -2:sc= -1 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0.726 (180deg=0.659) USER MOD Single : A 27 SER OG : rot 180:sc= 0.112 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.563 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 37 SER OG : rot 180:sc= 0.037 USER MOD Single : A 45 SER OG : rot 73:sc= 0.819 USER MOD Single : A 46 HIS : no HD1:sc= 0.489 K(o=0.49,f=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 1.67 (180deg=1.18) USER MOD Single : A 51 SER OG : rot 58:sc= 0.192 USER MOD Single : A 53 GLN : amide:sc= 1.84 K(o=1.8,f=-0.1) USER MOD Single : A 57 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-7.5!) USER MOD Single : A 58 THR OG1 : rot 20:sc= 0.136 USER MOD Single : A 64 ASN : amide:sc= -0.0505 X(o=-0.05,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot -41:sc= 0.915 USER MOD Single : A 71 SER OG : rot 180:sc= -0.276 USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0319) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0415) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 0.677 (180deg=0.317) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.595 -4.887 -13.097 1.00 0.00 N ATOM 2 CA ALA A 1 11.092 -3.548 -13.379 1.00 0.00 C ATOM 3 C ALA A 1 11.100 -2.721 -12.093 1.00 0.00 C ATOM 4 O ALA A 1 12.126 -2.147 -11.725 1.00 0.00 O ATOM 5 CB ALA A 1 10.222 -2.892 -14.456 1.00 0.00 C ATOM 0 H1 ALA A 1 10.638 -5.463 -13.962 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.181 -5.327 -12.359 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.610 -4.830 -12.768 1.00 0.00 H new ATOM 0 HA ALA A 1 12.114 -3.604 -13.754 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.596 -1.890 -14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.258 -3.490 -15.367 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.193 -2.829 -14.103 1.00 0.00 H new ATOM 12 N VAL A 2 9.959 -2.704 -11.393 1.00 0.00 N ATOM 13 CA VAL A 2 9.754 -1.980 -10.141 1.00 0.00 C ATOM 14 C VAL A 2 10.899 -2.237 -9.150 1.00 0.00 C ATOM 15 O VAL A 2 11.270 -1.338 -8.398 1.00 0.00 O ATOM 16 CB VAL A 2 8.359 -2.308 -9.574 1.00 0.00 C ATOM 17 CG1 VAL A 2 8.242 -3.759 -9.090 1.00 0.00 C ATOM 18 CG2 VAL A 2 7.973 -1.348 -8.443 1.00 0.00 C ATOM 0 H VAL A 2 9.128 -3.212 -11.696 1.00 0.00 H new ATOM 0 HA VAL A 2 9.778 -0.907 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 2 7.662 -2.179 -10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.239 -3.933 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.431 -4.437 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.973 -3.940 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.984 -1.608 -8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.701 -1.426 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.960 -0.326 -8.822 1.00 0.00 H new ATOM 28 N ILE A 3 11.476 -3.447 -9.202 1.00 0.00 N ATOM 29 CA ILE A 3 12.637 -3.891 -8.430 1.00 0.00 C ATOM 30 C ILE A 3 13.681 -2.773 -8.324 1.00 0.00 C ATOM 31 O ILE A 3 14.256 -2.564 -7.258 1.00 0.00 O ATOM 32 CB ILE A 3 13.247 -5.163 -9.063 1.00 0.00 C ATOM 33 CG1 ILE A 3 12.215 -6.309 -9.115 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.482 -5.610 -8.259 1.00 0.00 C ATOM 35 CD1 ILE A 3 12.732 -7.559 -9.835 1.00 0.00 C ATOM 0 H ILE A 3 11.123 -4.179 -9.819 1.00 0.00 H new ATOM 0 HA ILE A 3 12.309 -4.135 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 3 13.544 -4.924 -10.084 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.928 -6.577 -8.098 1.00 0.00 H new ATOM 0 HG13 ILE A 3 11.315 -5.955 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 3 14.906 -6.507 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.227 -4.814 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.189 -5.826 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 3 11.957 -8.325 -9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 3 12.992 -7.305 -10.863 1.00 0.00 H new ATOM 0 HD13 ILE A 3 13.615 -7.937 -9.320 1.00 0.00 H new ATOM 47 N THR A 4 13.932 -2.062 -9.429 1.00 0.00 N ATOM 48 CA THR A 4 14.911 -0.985 -9.467 1.00 0.00 C ATOM 49 C THR A 4 14.662 0.070 -8.380 1.00 0.00 C ATOM 50 O THR A 4 15.604 0.502 -7.716 1.00 0.00 O ATOM 51 CB THR A 4 14.949 -0.351 -10.865 1.00 0.00 C ATOM 52 OG1 THR A 4 13.666 0.094 -11.256 1.00 0.00 O ATOM 53 CG2 THR A 4 15.481 -1.338 -11.909 1.00 0.00 C ATOM 0 H THR A 4 13.459 -2.222 -10.319 1.00 0.00 H new ATOM 0 HA THR A 4 15.888 -1.420 -9.254 1.00 0.00 H new ATOM 0 HB THR A 4 15.623 0.504 -10.810 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.106 -0.679 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.496 -0.859 -12.888 1.00 0.00 H new ATOM 0 HG22 THR A 4 16.492 -1.643 -11.639 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.834 -2.215 -11.944 1.00 0.00 H new ATOM 61 N GLY A 5 13.408 0.476 -8.164 1.00 0.00 N ATOM 62 CA GLY A 5 13.062 1.492 -7.179 1.00 0.00 C ATOM 63 C GLY A 5 12.999 0.895 -5.775 1.00 0.00 C ATOM 64 O GLY A 5 11.983 1.032 -5.095 1.00 0.00 O ATOM 0 H GLY A 5 12.605 0.105 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.800 2.294 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.100 1.936 -7.432 1.00 0.00 H new ATOM 68 N ALA A 6 14.081 0.236 -5.349 1.00 0.00 N ATOM 69 CA ALA A 6 14.181 -0.433 -4.062 1.00 0.00 C ATOM 70 C ALA A 6 14.173 0.578 -2.910 1.00 0.00 C ATOM 71 O ALA A 6 14.829 1.617 -2.978 1.00 0.00 O ATOM 72 CB ALA A 6 15.449 -1.289 -4.024 1.00 0.00 C ATOM 0 H ALA A 6 14.930 0.155 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 6 13.312 -1.079 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.521 -1.789 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.408 -2.035 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.322 -0.653 -4.169 1.00 0.00 H new ATOM 78 N CYS A 7 13.407 0.277 -1.864 1.00 0.00 N ATOM 79 CA CYS A 7 13.244 1.053 -0.641 1.00 0.00 C ATOM 80 C CYS A 7 13.148 0.108 0.555 1.00 0.00 C ATOM 81 O CYS A 7 13.106 -1.112 0.396 1.00 0.00 O ATOM 82 CB CYS A 7 11.958 1.878 -0.731 1.00 0.00 C ATOM 83 SG CYS A 7 10.473 0.852 -0.742 1.00 0.00 S ATOM 0 H CYS A 7 12.846 -0.575 -1.850 1.00 0.00 H new ATOM 0 HA CYS A 7 14.101 1.716 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.913 2.567 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.983 2.484 -1.636 1.00 0.00 H new ATOM 88 N GLU A 8 13.078 0.695 1.753 1.00 0.00 N ATOM 89 CA GLU A 8 12.860 0.013 3.020 1.00 0.00 C ATOM 90 C GLU A 8 11.792 0.744 3.847 1.00 0.00 C ATOM 91 O GLU A 8 11.063 0.091 4.593 1.00 0.00 O ATOM 92 CB GLU A 8 14.181 -0.141 3.788 1.00 0.00 C ATOM 93 CG GLU A 8 15.205 -1.016 3.046 1.00 0.00 C ATOM 94 CD GLU A 8 14.692 -2.418 2.719 1.00 0.00 C ATOM 95 OE1 GLU A 8 13.875 -2.938 3.512 1.00 0.00 O ATOM 96 OE2 GLU A 8 15.132 -2.948 1.678 1.00 0.00 O ATOM 0 H GLU A 8 13.177 1.704 1.865 1.00 0.00 H new ATOM 0 HA GLU A 8 12.486 -0.991 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.611 0.845 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.978 -0.578 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.492 -0.518 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.106 -1.101 3.654 1.00 0.00 H new ATOM 103 N ARG A 9 11.694 2.076 3.727 1.00 0.00 N ATOM 104 CA ARG A 9 10.676 2.894 4.380 1.00 0.00 C ATOM 105 C ARG A 9 10.146 3.934 3.384 1.00 0.00 C ATOM 106 O ARG A 9 10.881 4.337 2.479 1.00 0.00 O ATOM 107 CB ARG A 9 11.246 3.600 5.618 1.00 0.00 C ATOM 108 CG ARG A 9 11.766 2.633 6.691 1.00 0.00 C ATOM 109 CD ARG A 9 13.277 2.395 6.596 1.00 0.00 C ATOM 110 NE ARG A 9 14.028 3.541 7.128 1.00 0.00 N ATOM 111 CZ ARG A 9 14.756 4.431 6.435 1.00 0.00 C ATOM 112 NH1 ARG A 9 14.845 4.388 5.101 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.409 5.385 7.106 1.00 0.00 N ATOM 0 H ARG A 9 12.340 2.623 3.157 1.00 0.00 H new ATOM 0 HA ARG A 9 9.863 2.245 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.058 4.258 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.472 4.232 6.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.527 3.030 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.246 1.680 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.542 1.494 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.557 2.224 5.556 1.00 0.00 H new ATOM 0 HE ARG A 9 13.992 3.675 8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.351 3.664 4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.407 5.080 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.348 5.426 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.968 6.072 6.601 1.00 0.00 H new ATOM 127 N ASP A 10 8.897 4.393 3.578 1.00 0.00 N ATOM 128 CA ASP A 10 8.218 5.375 2.721 1.00 0.00 C ATOM 129 C ASP A 10 9.102 6.584 2.425 1.00 0.00 C ATOM 130 O ASP A 10 9.014 7.171 1.348 1.00 0.00 O ATOM 131 CB ASP A 10 6.953 5.912 3.401 1.00 0.00 C ATOM 132 CG ASP A 10 5.733 5.013 3.365 1.00 0.00 C ATOM 133 OD1 ASP A 10 5.755 3.908 2.777 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.736 5.455 3.973 1.00 0.00 O ATOM 0 H ASP A 10 8.318 4.081 4.358 1.00 0.00 H new ATOM 0 HA ASP A 10 7.978 4.849 1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.190 6.124 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.691 6.861 2.934 1.00 0.00 H new ATOM 139 N LEU A 11 9.914 6.975 3.409 1.00 0.00 N ATOM 140 CA LEU A 11 10.866 8.074 3.340 1.00 0.00 C ATOM 141 C LEU A 11 11.660 8.060 2.029 1.00 0.00 C ATOM 142 O LEU A 11 11.936 9.113 1.461 1.00 0.00 O ATOM 143 CB LEU A 11 11.806 7.955 4.551 1.00 0.00 C ATOM 144 CG LEU A 11 12.902 9.031 4.627 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.312 10.437 4.790 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.817 8.721 5.816 1.00 0.00 C ATOM 0 H LEU A 11 9.922 6.509 4.316 1.00 0.00 H new ATOM 0 HA LEU A 11 10.330 9.023 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.209 8.000 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.281 6.974 4.529 1.00 0.00 H new ATOM 0 HG LEU A 11 13.463 9.014 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.120 11.167 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.670 10.663 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.726 10.481 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.599 9.478 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.232 8.724 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.272 7.740 5.679 1.00 0.00 H new ATOM 158 N GLN A 12 12.023 6.871 1.541 1.00 0.00 N ATOM 159 CA GLN A 12 12.825 6.709 0.332 1.00 0.00 C ATOM 160 C GLN A 12 11.988 6.795 -0.952 1.00 0.00 C ATOM 161 O GLN A 12 12.520 6.553 -2.034 1.00 0.00 O ATOM 162 CB GLN A 12 13.530 5.350 0.408 1.00 0.00 C ATOM 163 CG GLN A 12 14.437 5.232 1.638 1.00 0.00 C ATOM 164 CD GLN A 12 14.791 3.776 1.899 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.109 3.108 2.674 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.843 3.271 1.264 1.00 0.00 N ATOM 0 H GLN A 12 11.765 5.987 1.980 1.00 0.00 H new ATOM 0 HA GLN A 12 13.545 7.526 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.783 4.557 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.124 5.200 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.347 5.812 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.935 5.653 2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.385 3.857 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.109 2.298 1.412 1.00 0.00 H new ATOM 175 N CYS A 13 10.696 7.116 -0.844 1.00 0.00 N ATOM 176 CA CYS A 13 9.751 7.157 -1.952 1.00 0.00 C ATOM 177 C CYS A 13 9.019 8.502 -1.923 1.00 0.00 C ATOM 178 O CYS A 13 9.142 9.298 -2.851 1.00 0.00 O ATOM 179 CB CYS A 13 8.816 5.945 -1.838 1.00 0.00 C ATOM 180 SG CYS A 13 9.632 4.336 -1.784 1.00 0.00 S ATOM 0 H CYS A 13 10.269 7.362 0.049 1.00 0.00 H new ATOM 0 HA CYS A 13 10.248 7.088 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.213 6.057 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.130 5.957 -2.685 1.00 0.00 H new ATOM 185 N GLY A 14 8.300 8.781 -0.832 1.00 0.00 N ATOM 186 CA GLY A 14 7.657 10.067 -0.586 1.00 0.00 C ATOM 187 C GLY A 14 6.227 10.189 -1.120 1.00 0.00 C ATOM 188 O GLY A 14 5.763 9.369 -1.910 1.00 0.00 O ATOM 0 H GLY A 14 8.148 8.105 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.644 10.250 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.265 10.852 -1.036 1.00 0.00 H new ATOM 192 N LYS A 15 5.536 11.242 -0.661 1.00 0.00 N ATOM 193 CA LYS A 15 4.162 11.606 -0.979 1.00 0.00 C ATOM 194 C LYS A 15 3.842 11.380 -2.456 1.00 0.00 C ATOM 195 O LYS A 15 4.333 12.089 -3.329 1.00 0.00 O ATOM 196 CB LYS A 15 3.912 13.060 -0.549 1.00 0.00 C ATOM 197 CG LYS A 15 2.479 13.553 -0.806 1.00 0.00 C ATOM 198 CD LYS A 15 1.424 12.733 -0.047 1.00 0.00 C ATOM 199 CE LYS A 15 0.039 13.386 -0.132 1.00 0.00 C ATOM 200 NZ LYS A 15 -0.457 13.455 -1.519 1.00 0.00 N ATOM 0 H LYS A 15 5.960 11.905 -0.012 1.00 0.00 H new ATOM 0 HA LYS A 15 3.485 10.956 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.133 13.156 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.609 13.709 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.401 14.599 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.269 13.507 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.379 11.725 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.719 12.637 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.666 12.820 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.086 14.391 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.416 13.857 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.174 14.058 -2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.479 12.499 -1.928 1.00 0.00 H new ATOM 214 N GLY A 16 2.989 10.386 -2.699 1.00 0.00 N ATOM 215 CA GLY A 16 2.577 9.928 -4.021 1.00 0.00 C ATOM 216 C GLY A 16 2.899 8.441 -4.165 1.00 0.00 C ATOM 217 O GLY A 16 2.280 7.725 -4.950 1.00 0.00 O ATOM 0 H GLY A 16 2.549 9.857 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.509 10.095 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.092 10.500 -4.793 1.00 0.00 H new ATOM 221 N THR A 17 3.860 7.966 -3.373 1.00 0.00 N ATOM 222 CA THR A 17 4.281 6.584 -3.334 1.00 0.00 C ATOM 223 C THR A 17 4.358 6.128 -1.874 1.00 0.00 C ATOM 224 O THR A 17 4.231 6.933 -0.952 1.00 0.00 O ATOM 225 CB THR A 17 5.627 6.446 -4.067 1.00 0.00 C ATOM 226 OG1 THR A 17 6.581 7.348 -3.548 1.00 0.00 O ATOM 227 CG2 THR A 17 5.502 6.747 -5.559 1.00 0.00 C ATOM 0 H THR A 17 4.377 8.559 -2.724 1.00 0.00 H new ATOM 0 HA THR A 17 3.564 5.940 -3.843 1.00 0.00 H new ATOM 0 HB THR A 17 5.940 5.413 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.162 7.909 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.476 6.637 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.796 6.051 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.144 7.768 -5.696 1.00 0.00 H new ATOM 235 N CYS A 18 4.507 4.821 -1.689 1.00 0.00 N ATOM 236 CA CYS A 18 4.586 4.102 -0.430 1.00 0.00 C ATOM 237 C CYS A 18 5.645 3.019 -0.617 1.00 0.00 C ATOM 238 O CYS A 18 5.873 2.575 -1.741 1.00 0.00 O ATOM 239 CB CYS A 18 3.232 3.447 -0.149 1.00 0.00 C ATOM 240 SG CYS A 18 2.665 2.445 -1.542 1.00 0.00 S ATOM 0 H CYS A 18 4.581 4.188 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 18 4.838 4.763 0.399 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.309 2.821 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.493 4.219 0.067 1.00 0.00 H new ATOM 245 N CYS A 19 6.297 2.576 0.455 1.00 0.00 N ATOM 246 CA CYS A 19 7.344 1.564 0.360 1.00 0.00 C ATOM 247 C CYS A 19 6.813 0.178 0.740 1.00 0.00 C ATOM 248 O CYS A 19 6.686 -0.107 1.929 1.00 0.00 O ATOM 249 CB CYS A 19 8.500 1.978 1.264 1.00 0.00 C ATOM 250 SG CYS A 19 9.820 0.768 1.226 1.00 0.00 S ATOM 0 H CYS A 19 6.117 2.904 1.404 1.00 0.00 H new ATOM 0 HA CYS A 19 7.692 1.495 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.883 2.948 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.141 2.096 2.286 1.00 0.00 H new ATOM 255 N ALA A 20 6.496 -0.684 -0.240 1.00 0.00 N ATOM 256 CA ALA A 20 5.929 -2.019 0.002 1.00 0.00 C ATOM 257 C ALA A 20 6.797 -3.118 -0.607 1.00 0.00 C ATOM 258 O ALA A 20 7.588 -2.857 -1.501 1.00 0.00 O ATOM 259 CB ALA A 20 4.492 -2.096 -0.510 1.00 0.00 C ATOM 0 H ALA A 20 6.627 -0.472 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 20 5.913 -2.184 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.091 -3.092 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.882 -1.355 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.476 -1.896 -1.581 1.00 0.00 H new ATOM 265 N VAL A 21 6.664 -4.340 -0.096 1.00 0.00 N ATOM 266 CA VAL A 21 7.483 -5.508 -0.412 1.00 0.00 C ATOM 267 C VAL A 21 7.846 -5.703 -1.896 1.00 0.00 C ATOM 268 O VAL A 21 7.015 -5.506 -2.776 1.00 0.00 O ATOM 269 CB VAL A 21 6.710 -6.733 0.115 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.205 -8.062 -0.459 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.766 -6.793 1.646 1.00 0.00 C ATOM 0 H VAL A 21 5.940 -4.554 0.590 1.00 0.00 H new ATOM 0 HA VAL A 21 8.453 -5.365 0.064 1.00 0.00 H new ATOM 0 HB VAL A 21 5.682 -6.598 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.616 -8.880 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.099 -8.052 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.254 -8.203 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.214 -7.665 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.804 -6.867 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.320 -5.890 2.062 1.00 0.00 H new ATOM 281 N SER A 22 9.061 -6.184 -2.194 1.00 0.00 N ATOM 282 CA SER A 22 9.442 -6.570 -3.540 1.00 0.00 C ATOM 283 C SER A 22 8.899 -7.982 -3.781 1.00 0.00 C ATOM 284 O SER A 22 9.397 -8.944 -3.201 1.00 0.00 O ATOM 285 CB SER A 22 10.959 -6.495 -3.672 1.00 0.00 C ATOM 286 OG SER A 22 11.370 -5.186 -3.378 1.00 0.00 O ATOM 0 H SER A 22 9.799 -6.312 -1.502 1.00 0.00 H new ATOM 0 HA SER A 22 9.025 -5.902 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.433 -7.202 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.265 -6.770 -4.681 1.00 0.00 H new ATOM 0 HG SER A 22 10.584 -4.630 -3.193 1.00 0.00 H new ATOM 292 N LEU A 23 7.871 -8.085 -4.631 1.00 0.00 N ATOM 293 CA LEU A 23 7.082 -9.279 -4.949 1.00 0.00 C ATOM 294 C LEU A 23 7.870 -10.595 -4.953 1.00 0.00 C ATOM 295 O LEU A 23 7.368 -11.600 -4.457 1.00 0.00 O ATOM 296 CB LEU A 23 6.369 -9.116 -6.311 1.00 0.00 C ATOM 297 CG LEU A 23 5.133 -8.199 -6.398 1.00 0.00 C ATOM 298 CD1 LEU A 23 3.943 -8.673 -5.549 1.00 0.00 C ATOM 299 CD2 LEU A 23 5.476 -6.735 -6.122 1.00 0.00 C ATOM 0 H LEU A 23 7.545 -7.273 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 23 6.361 -9.355 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.104 -8.747 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.068 -10.108 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 23 4.802 -8.270 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.113 -7.975 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.632 -9.664 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.238 -8.716 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.573 -6.130 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.895 -6.642 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.205 -6.388 -6.854 1.00 0.00 H new ATOM 311 N TRP A 24 9.096 -10.589 -5.478 1.00 0.00 N ATOM 312 CA TRP A 24 9.878 -11.800 -5.697 1.00 0.00 C ATOM 313 C TRP A 24 10.895 -12.071 -4.588 1.00 0.00 C ATOM 314 O TRP A 24 11.329 -13.212 -4.446 1.00 0.00 O ATOM 315 CB TRP A 24 10.563 -11.685 -7.066 1.00 0.00 C ATOM 316 CG TRP A 24 9.626 -11.269 -8.158 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.837 -12.101 -8.871 1.00 0.00 C ATOM 318 CD2 TRP A 24 9.213 -9.918 -8.522 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.942 -11.368 -9.624 1.00 0.00 N ATOM 320 CE2 TRP A 24 8.100 -10.015 -9.405 1.00 0.00 C ATOM 321 CE3 TRP A 24 9.615 -8.621 -8.130 1.00 0.00 C ATOM 322 CZ2 TRP A 24 7.392 -8.886 -9.842 1.00 0.00 C ATOM 323 CZ3 TRP A 24 8.915 -7.481 -8.568 1.00 0.00 C ATOM 324 CH2 TRP A 24 7.782 -7.616 -9.389 1.00 0.00 C ATOM 0 H TRP A 24 9.575 -9.735 -5.764 1.00 0.00 H new ATOM 0 HA TRP A 24 9.203 -12.655 -5.678 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.377 -10.963 -6.999 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.009 -12.645 -7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.897 -13.179 -8.855 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.254 -11.773 -10.259 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.473 -8.503 -7.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 6.557 -8.992 -10.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.250 -6.498 -8.272 1.00 0.00 H new ATOM 0 HH2 TRP A 24 7.212 -6.743 -9.671 1.00 0.00 H new ATOM 335 N ILE A 25 11.277 -11.064 -3.796 1.00 0.00 N ATOM 336 CA ILE A 25 12.223 -11.208 -2.721 1.00 0.00 C ATOM 337 C ILE A 25 11.822 -10.301 -1.563 1.00 0.00 C ATOM 338 O ILE A 25 12.004 -9.087 -1.619 1.00 0.00 O ATOM 339 CB ILE A 25 13.660 -10.921 -3.181 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.975 -9.612 -3.932 1.00 0.00 C ATOM 341 CG2 ILE A 25 14.256 -12.126 -3.913 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.275 -9.378 -5.276 1.00 0.00 C ATOM 0 H ILE A 25 10.922 -10.113 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 25 12.205 -12.244 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 25 14.151 -10.741 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.726 -8.779 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.051 -9.573 -4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.274 -11.894 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.270 -12.987 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.650 -12.356 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.591 -8.420 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.540 -10.177 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.195 -9.371 -5.127 1.00 0.00 H new ATOM 354 N LYS A 26 11.332 -10.906 -0.478 1.00 0.00 N ATOM 355 CA LYS A 26 10.961 -10.180 0.730 1.00 0.00 C ATOM 356 C LYS A 26 12.159 -9.370 1.256 1.00 0.00 C ATOM 357 O LYS A 26 11.982 -8.407 1.998 1.00 0.00 O ATOM 358 CB LYS A 26 10.438 -11.153 1.795 1.00 0.00 C ATOM 359 CG LYS A 26 9.424 -12.209 1.319 1.00 0.00 C ATOM 360 CD LYS A 26 8.154 -11.668 0.639 1.00 0.00 C ATOM 361 CE LYS A 26 8.285 -11.521 -0.887 1.00 0.00 C ATOM 362 NZ LYS A 26 6.968 -11.431 -1.541 1.00 0.00 N ATOM 0 H LYS A 26 11.183 -11.913 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 26 10.161 -9.480 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.291 -11.672 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.976 -10.571 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.928 -12.879 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.124 -12.809 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.321 -12.335 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.908 -10.697 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.868 -10.629 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.833 -12.373 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.085 -11.520 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.355 -12.196 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.533 -10.512 -1.321 1.00 0.00 H new ATOM 376 N SER A 27 13.373 -9.770 0.855 1.00 0.00 N ATOM 377 CA SER A 27 14.648 -9.145 1.140 1.00 0.00 C ATOM 378 C SER A 27 14.632 -7.620 1.021 1.00 0.00 C ATOM 379 O SER A 27 15.344 -6.951 1.765 1.00 0.00 O ATOM 380 CB SER A 27 15.643 -9.725 0.130 1.00 0.00 C ATOM 381 OG SER A 27 15.428 -11.124 0.024 1.00 0.00 O ATOM 0 H SER A 27 13.485 -10.604 0.279 1.00 0.00 H new ATOM 0 HA SER A 27 14.916 -9.352 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.514 -9.249 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.665 -9.524 0.450 1.00 0.00 H new ATOM 0 HG SER A 27 16.059 -11.504 -0.622 1.00 0.00 H new ATOM 387 N VAL A 28 13.882 -7.079 0.055 1.00 0.00 N ATOM 388 CA VAL A 28 13.795 -5.644 -0.179 1.00 0.00 C ATOM 389 C VAL A 28 12.343 -5.233 -0.383 1.00 0.00 C ATOM 390 O VAL A 28 11.490 -6.055 -0.722 1.00 0.00 O ATOM 391 CB VAL A 28 14.619 -5.236 -1.421 1.00 0.00 C ATOM 392 CG1 VAL A 28 16.080 -4.948 -1.060 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.584 -6.252 -2.560 1.00 0.00 C ATOM 0 H VAL A 28 13.316 -7.633 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 28 14.201 -5.136 0.696 1.00 0.00 H new ATOM 0 HB VAL A 28 14.133 -4.329 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.628 -4.664 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.122 -4.133 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.531 -5.841 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.187 -5.888 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.984 -7.204 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.555 -6.391 -2.892 1.00 0.00 H new ATOM 403 N ARG A 29 12.062 -3.939 -0.228 1.00 0.00 N ATOM 404 CA ARG A 29 10.778 -3.358 -0.571 1.00 0.00 C ATOM 405 C ARG A 29 11.028 -2.432 -1.766 1.00 0.00 C ATOM 406 O ARG A 29 12.181 -2.213 -2.129 1.00 0.00 O ATOM 407 CB ARG A 29 10.177 -2.652 0.645 1.00 0.00 C ATOM 408 CG ARG A 29 10.241 -3.495 1.919 1.00 0.00 C ATOM 409 CD ARG A 29 9.361 -2.863 3.007 1.00 0.00 C ATOM 410 NE ARG A 29 8.378 -3.824 3.518 1.00 0.00 N ATOM 411 CZ ARG A 29 8.681 -4.931 4.210 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.948 -5.221 4.519 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.695 -5.747 4.584 1.00 0.00 N ATOM 0 H ARG A 29 12.731 -3.264 0.143 1.00 0.00 H new ATOM 0 HA ARG A 29 10.040 -4.108 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.705 -1.713 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.138 -2.400 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.904 -4.511 1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.271 -3.566 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.988 -2.510 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.846 -1.992 2.601 1.00 0.00 H new ATOM 0 HE ARG A 29 7.393 -3.636 3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.700 -4.596 4.228 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.164 -6.067 5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.729 -5.524 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.906 -6.594 5.111 1.00 0.00 H new ATOM 427 N VAL A 30 9.981 -1.923 -2.413 1.00 0.00 N ATOM 428 CA VAL A 30 10.061 -1.044 -3.567 1.00 0.00 C ATOM 429 C VAL A 30 9.002 0.053 -3.484 1.00 0.00 C ATOM 430 O VAL A 30 7.939 -0.117 -2.871 1.00 0.00 O ATOM 431 CB VAL A 30 9.889 -1.820 -4.880 1.00 0.00 C ATOM 432 CG1 VAL A 30 11.155 -2.555 -5.311 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.695 -2.787 -4.823 1.00 0.00 C ATOM 0 H VAL A 30 9.020 -2.122 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 30 11.053 -0.592 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 30 9.683 -1.066 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.968 -3.084 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.962 -1.836 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.441 -3.270 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.609 -3.316 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.848 -3.507 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.780 -2.225 -4.637 1.00 0.00 H new ATOM 443 N CYS A 31 9.310 1.190 -4.112 1.00 0.00 N ATOM 444 CA CYS A 31 8.410 2.326 -4.180 1.00 0.00 C ATOM 445 C CYS A 31 7.205 1.939 -5.029 1.00 0.00 C ATOM 446 O CYS A 31 7.270 1.880 -6.254 1.00 0.00 O ATOM 447 CB CYS A 31 9.118 3.575 -4.710 1.00 0.00 C ATOM 448 SG CYS A 31 10.480 4.178 -3.680 1.00 0.00 S ATOM 0 H CYS A 31 10.199 1.342 -4.589 1.00 0.00 H new ATOM 0 HA CYS A 31 8.068 2.584 -3.178 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.504 3.360 -5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.383 4.373 -4.818 1.00 0.00 H new ATOM 453 N THR A 32 6.105 1.666 -4.339 1.00 0.00 N ATOM 454 CA THR A 32 4.816 1.248 -4.851 1.00 0.00 C ATOM 455 C THR A 32 3.946 2.516 -4.880 1.00 0.00 C ATOM 456 O THR A 32 4.161 3.416 -4.067 1.00 0.00 O ATOM 457 CB THR A 32 4.327 0.166 -3.865 1.00 0.00 C ATOM 458 OG1 THR A 32 5.296 -0.869 -3.824 1.00 0.00 O ATOM 459 CG2 THR A 32 2.958 -0.469 -4.149 1.00 0.00 C ATOM 0 H THR A 32 6.096 1.739 -3.322 1.00 0.00 H new ATOM 0 HA THR A 32 4.808 0.823 -5.855 1.00 0.00 H new ATOM 0 HB THR A 32 4.198 0.692 -2.919 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.092 -0.554 -3.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.735 -1.211 -3.383 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.189 0.304 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.976 -0.951 -5.127 1.00 0.00 H new ATOM 467 N PRO A 33 3.017 2.675 -5.832 1.00 0.00 N ATOM 468 CA PRO A 33 2.170 3.859 -5.878 1.00 0.00 C ATOM 469 C PRO A 33 1.169 3.825 -4.721 1.00 0.00 C ATOM 470 O PRO A 33 0.762 2.742 -4.297 1.00 0.00 O ATOM 471 CB PRO A 33 1.464 3.791 -7.235 1.00 0.00 C ATOM 472 CG PRO A 33 1.407 2.290 -7.528 1.00 0.00 C ATOM 473 CD PRO A 33 2.715 1.771 -6.929 1.00 0.00 C ATOM 0 HA PRO A 33 2.733 4.787 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.467 4.231 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.018 4.330 -8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.538 1.822 -7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.346 2.090 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.607 0.746 -6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.514 1.770 -7.670 1.00 0.00 H new ATOM 481 N VAL A 34 0.778 4.989 -4.186 1.00 0.00 N ATOM 482 CA VAL A 34 -0.262 5.000 -3.158 1.00 0.00 C ATOM 483 C VAL A 34 -1.563 4.475 -3.771 1.00 0.00 C ATOM 484 O VAL A 34 -1.837 4.705 -4.949 1.00 0.00 O ATOM 485 CB VAL A 34 -0.464 6.389 -2.527 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.749 6.781 -1.683 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.774 7.472 -3.565 1.00 0.00 C ATOM 0 H VAL A 34 1.152 5.904 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 34 0.055 4.350 -2.342 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.338 6.315 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.585 7.766 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.890 6.050 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.638 6.807 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.907 8.430 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.052 7.545 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.688 7.213 -4.099 1.00 0.00 H new ATOM 497 N GLY A 35 -2.368 3.771 -2.977 1.00 0.00 N ATOM 498 CA GLY A 35 -3.607 3.190 -3.451 1.00 0.00 C ATOM 499 C GLY A 35 -4.584 4.274 -3.901 1.00 0.00 C ATOM 500 O GLY A 35 -4.987 5.110 -3.093 1.00 0.00 O ATOM 0 H GLY A 35 -2.174 3.592 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.401 2.514 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.060 2.594 -2.659 1.00 0.00 H new ATOM 504 N THR A 36 -4.967 4.280 -5.179 1.00 0.00 N ATOM 505 CA THR A 36 -5.980 5.202 -5.678 1.00 0.00 C ATOM 506 C THR A 36 -7.311 4.453 -5.747 1.00 0.00 C ATOM 507 O THR A 36 -7.358 3.241 -5.533 1.00 0.00 O ATOM 508 CB THR A 36 -5.569 5.848 -7.010 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.416 6.956 -7.242 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.652 4.914 -8.220 1.00 0.00 C ATOM 0 H THR A 36 -4.587 3.652 -5.887 1.00 0.00 H new ATOM 0 HA THR A 36 -6.090 6.044 -4.995 1.00 0.00 H new ATOM 0 HB THR A 36 -4.521 6.129 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.169 7.385 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.344 5.452 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.993 4.059 -8.066 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.677 4.565 -8.340 1.00 0.00 H new ATOM 518 N SER A 37 -8.392 5.182 -6.025 1.00 0.00 N ATOM 519 CA SER A 37 -9.749 4.669 -6.093 1.00 0.00 C ATOM 520 C SER A 37 -9.820 3.315 -6.812 1.00 0.00 C ATOM 521 O SER A 37 -9.520 3.237 -8.001 1.00 0.00 O ATOM 522 CB SER A 37 -10.610 5.717 -6.800 1.00 0.00 C ATOM 523 OG SER A 37 -10.373 6.986 -6.214 1.00 0.00 O ATOM 0 H SER A 37 -8.338 6.183 -6.215 1.00 0.00 H new ATOM 0 HA SER A 37 -10.120 4.491 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.372 5.744 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.665 5.455 -6.716 1.00 0.00 H new ATOM 0 HG SER A 37 -10.921 7.662 -6.665 1.00 0.00 H new ATOM 529 N GLY A 38 -10.204 2.257 -6.091 1.00 0.00 N ATOM 530 CA GLY A 38 -10.350 0.914 -6.634 1.00 0.00 C ATOM 531 C GLY A 38 -9.161 -0.008 -6.350 1.00 0.00 C ATOM 532 O GLY A 38 -9.335 -1.225 -6.353 1.00 0.00 O ATOM 0 H GLY A 38 -10.425 2.317 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.252 0.463 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.493 0.983 -7.712 1.00 0.00 H new ATOM 536 N GLU A 39 -7.957 0.522 -6.112 1.00 0.00 N ATOM 537 CA GLU A 39 -6.801 -0.331 -5.854 1.00 0.00 C ATOM 538 C GLU A 39 -6.914 -1.017 -4.491 1.00 0.00 C ATOM 539 O GLU A 39 -7.535 -0.486 -3.571 1.00 0.00 O ATOM 540 CB GLU A 39 -5.498 0.468 -5.958 1.00 0.00 C ATOM 541 CG GLU A 39 -5.281 0.979 -7.388 1.00 0.00 C ATOM 542 CD GLU A 39 -3.878 1.547 -7.565 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.547 2.474 -6.796 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.164 1.047 -8.461 1.00 0.00 O ATOM 0 H GLU A 39 -7.762 1.523 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.783 -1.108 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.527 1.311 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.658 -0.159 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.438 0.165 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.019 1.748 -7.618 1.00 0.00 H new ATOM 551 N ASP A 40 -6.308 -2.203 -4.371 1.00 0.00 N ATOM 552 CA ASP A 40 -6.308 -2.990 -3.148 1.00 0.00 C ATOM 553 C ASP A 40 -5.438 -2.339 -2.072 1.00 0.00 C ATOM 554 O ASP A 40 -4.460 -1.659 -2.380 1.00 0.00 O ATOM 555 CB ASP A 40 -5.871 -4.428 -3.441 1.00 0.00 C ATOM 556 CG ASP A 40 -6.925 -5.173 -4.255 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.837 -5.749 -3.622 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.809 -5.136 -5.499 1.00 0.00 O ATOM 0 H ASP A 40 -5.798 -2.644 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.325 -3.023 -2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.927 -4.420 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.693 -4.955 -2.503 1.00 0.00 H new ATOM 563 N CYS A 41 -5.793 -2.572 -0.809 1.00 0.00 N ATOM 564 CA CYS A 41 -5.154 -2.004 0.374 1.00 0.00 C ATOM 565 C CYS A 41 -5.387 -2.947 1.546 1.00 0.00 C ATOM 566 O CYS A 41 -6.172 -3.883 1.423 1.00 0.00 O ATOM 567 CB CYS A 41 -5.806 -0.659 0.687 1.00 0.00 C ATOM 568 SG CYS A 41 -7.594 -0.780 0.947 1.00 0.00 S ATOM 0 H CYS A 41 -6.569 -3.190 -0.574 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.086 -1.870 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.343 -0.236 1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.610 0.033 -0.132 1.00 0.00 H new ATOM 573 N HIS A 42 -4.729 -2.700 2.683 1.00 0.00 N ATOM 574 CA HIS A 42 -4.944 -3.471 3.902 1.00 0.00 C ATOM 575 C HIS A 42 -5.470 -2.525 4.981 1.00 0.00 C ATOM 576 O HIS A 42 -4.967 -1.404 5.068 1.00 0.00 O ATOM 577 CB HIS A 42 -3.639 -4.134 4.355 1.00 0.00 C ATOM 578 CG HIS A 42 -3.882 -5.135 5.443 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.040 -4.763 6.775 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.156 -6.465 5.321 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.353 -5.896 7.411 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.447 -6.946 6.581 1.00 0.00 N ATOM 0 H HIS A 42 -4.034 -1.960 2.780 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.670 -4.263 3.718 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.165 -4.626 3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.946 -3.371 4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.147 -7.038 4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.513 -5.959 8.477 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.685 -7.906 6.831 1.00 0.00 H new ATOM 590 N PRO A 43 -6.433 -2.923 5.827 1.00 0.00 N ATOM 591 CA PRO A 43 -6.953 -2.055 6.878 1.00 0.00 C ATOM 592 C PRO A 43 -5.876 -1.577 7.862 1.00 0.00 C ATOM 593 O PRO A 43 -6.100 -0.600 8.570 1.00 0.00 O ATOM 594 CB PRO A 43 -8.059 -2.855 7.575 1.00 0.00 C ATOM 595 CG PRO A 43 -7.702 -4.306 7.256 1.00 0.00 C ATOM 596 CD PRO A 43 -7.136 -4.195 5.842 1.00 0.00 C ATOM 0 HA PRO A 43 -7.339 -1.131 6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.072 -2.671 8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.046 -2.591 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.971 -4.709 7.957 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.574 -4.958 7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.463 -5.023 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.929 -4.218 5.095 1.00 0.00 H new ATOM 604 N ALA A 44 -4.700 -2.217 7.888 1.00 0.00 N ATOM 605 CA ALA A 44 -3.595 -1.842 8.760 1.00 0.00 C ATOM 606 C ALA A 44 -2.566 -0.983 8.014 1.00 0.00 C ATOM 607 O ALA A 44 -1.506 -0.688 8.562 1.00 0.00 O ATOM 608 CB ALA A 44 -2.928 -3.124 9.266 1.00 0.00 C ATOM 0 H ALA A 44 -4.493 -3.020 7.294 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.979 -1.252 9.592 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.096 -2.867 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.655 -3.719 9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.557 -3.700 8.418 1.00 0.00 H new ATOM 614 N SER A 45 -2.854 -0.570 6.774 1.00 0.00 N ATOM 615 CA SER A 45 -1.951 0.245 5.989 1.00 0.00 C ATOM 616 C SER A 45 -1.851 1.657 6.566 1.00 0.00 C ATOM 617 O SER A 45 -2.665 2.517 6.235 1.00 0.00 O ATOM 618 CB SER A 45 -2.452 0.314 4.546 1.00 0.00 C ATOM 619 OG SER A 45 -2.561 -0.965 3.966 1.00 0.00 O ATOM 0 H SER A 45 -3.725 -0.798 6.295 1.00 0.00 H new ATOM 0 HA SER A 45 -0.960 -0.209 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.424 0.807 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.770 0.924 3.954 1.00 0.00 H new ATOM 0 HG SER A 45 -3.328 -1.436 4.354 1.00 0.00 H new ATOM 625 N HIS A 46 -0.840 1.914 7.397 1.00 0.00 N ATOM 626 CA HIS A 46 -0.594 3.242 7.951 1.00 0.00 C ATOM 627 C HIS A 46 -0.438 4.245 6.812 1.00 0.00 C ATOM 628 O HIS A 46 0.117 3.890 5.771 1.00 0.00 O ATOM 629 CB HIS A 46 0.700 3.232 8.768 1.00 0.00 C ATOM 630 CG HIS A 46 0.782 2.058 9.695 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.221 0.820 9.233 1.00 0.00 N ATOM 632 CD2 HIS A 46 0.345 1.936 10.984 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.060 -0.001 10.273 1.00 0.00 C ATOM 634 NE2 HIS A 46 0.539 0.618 11.347 1.00 0.00 N ATOM 0 H HIS A 46 -0.171 1.208 7.703 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.433 3.521 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.554 3.217 8.091 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.768 4.153 9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.072 2.719 11.600 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.320 -1.049 10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.329 0.197 12.252 1.00 0.00 H new ATOM 642 N LYS A 47 -0.875 5.490 6.999 1.00 0.00 N ATOM 643 CA LYS A 47 -0.751 6.514 5.964 1.00 0.00 C ATOM 644 C LYS A 47 0.724 6.865 5.695 1.00 0.00 C ATOM 645 O LYS A 47 1.635 6.223 6.220 1.00 0.00 O ATOM 646 CB LYS A 47 -1.598 7.742 6.342 1.00 0.00 C ATOM 647 CG LYS A 47 -3.109 7.457 6.368 1.00 0.00 C ATOM 648 CD LYS A 47 -3.622 6.940 5.014 1.00 0.00 C ATOM 649 CE LYS A 47 -5.131 7.159 4.866 1.00 0.00 C ATOM 650 NZ LYS A 47 -5.629 6.583 3.605 1.00 0.00 N ATOM 0 H LYS A 47 -1.318 5.813 7.859 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.140 6.122 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.287 8.101 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.399 8.544 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.326 6.721 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.645 8.368 6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.098 7.450 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.396 5.878 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.652 6.704 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.351 8.226 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.533 7.031 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.935 6.751 2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.771 5.559 3.723 1.00 0.00 H new ATOM 664 N ILE A 48 0.957 7.853 4.827 1.00 0.00 N ATOM 665 CA ILE A 48 2.281 8.335 4.453 1.00 0.00 C ATOM 666 C ILE A 48 2.635 9.496 5.394 1.00 0.00 C ATOM 667 O ILE A 48 1.736 10.273 5.718 1.00 0.00 O ATOM 668 CB ILE A 48 2.237 8.837 2.990 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.544 7.864 2.019 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.632 9.193 2.454 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.164 6.467 2.001 1.00 0.00 C ATOM 0 H ILE A 48 0.204 8.352 4.353 1.00 0.00 H new ATOM 0 HA ILE A 48 3.026 7.544 4.533 1.00 0.00 H new ATOM 0 HB ILE A 48 1.630 9.741 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.492 7.781 2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.581 8.281 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.548 9.540 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.068 9.981 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.271 8.311 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.623 5.838 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.209 6.537 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.103 6.029 2.997 1.00 0.00 H new ATOM 683 N PRO A 49 3.901 9.691 5.800 1.00 0.00 N ATOM 684 CA PRO A 49 5.054 8.830 5.580 1.00 0.00 C ATOM 685 C PRO A 49 5.191 7.824 6.727 1.00 0.00 C ATOM 686 O PRO A 49 5.264 8.215 7.891 1.00 0.00 O ATOM 687 CB PRO A 49 6.244 9.793 5.558 1.00 0.00 C ATOM 688 CG PRO A 49 5.839 10.887 6.548 1.00 0.00 C ATOM 689 CD PRO A 49 4.312 10.933 6.437 1.00 0.00 C ATOM 0 HA PRO A 49 4.977 8.246 4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.166 9.298 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.414 10.198 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.159 10.648 7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.288 11.846 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.855 11.032 7.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.993 11.794 5.849 1.00 0.00 H new ATOM 697 N PHE A 50 5.267 6.531 6.411 1.00 0.00 N ATOM 698 CA PHE A 50 5.460 5.486 7.403 1.00 0.00 C ATOM 699 C PHE A 50 6.938 5.115 7.415 1.00 0.00 C ATOM 700 O PHE A 50 7.432 4.409 6.531 1.00 0.00 O ATOM 701 CB PHE A 50 4.593 4.275 7.065 1.00 0.00 C ATOM 702 CG PHE A 50 4.703 3.122 8.042 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.152 3.237 9.331 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.329 1.922 7.654 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.197 2.147 10.217 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.345 0.822 8.529 1.00 0.00 C ATOM 707 CZ PHE A 50 4.782 0.935 9.812 1.00 0.00 C ATOM 0 H PHE A 50 5.196 6.183 5.455 1.00 0.00 H new ATOM 0 HA PHE A 50 5.163 5.836 8.391 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.552 4.594 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.864 3.918 6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.694 4.165 9.640 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.797 1.847 6.684 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.782 2.241 11.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.790 -0.111 8.215 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.799 0.091 10.486 1.00 0.00 H new ATOM 717 N SER A 51 7.657 5.612 8.421 1.00 0.00 N ATOM 718 CA SER A 51 9.064 5.335 8.620 1.00 0.00 C ATOM 719 C SER A 51 9.214 3.913 9.168 1.00 0.00 C ATOM 720 O SER A 51 9.643 3.738 10.307 1.00 0.00 O ATOM 721 CB SER A 51 9.613 6.386 9.591 1.00 0.00 C ATOM 722 OG SER A 51 8.797 6.415 10.745 1.00 0.00 O ATOM 0 H SER A 51 7.262 6.230 9.130 1.00 0.00 H new ATOM 0 HA SER A 51 9.627 5.391 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.641 6.147 9.863 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.628 7.367 9.116 1.00 0.00 H new ATOM 0 HG SER A 51 8.783 5.527 11.158 1.00 0.00 H new ATOM 728 N GLY A 52 8.843 2.901 8.379 1.00 0.00 N ATOM 729 CA GLY A 52 8.915 1.515 8.796 1.00 0.00 C ATOM 730 C GLY A 52 8.671 0.572 7.623 1.00 0.00 C ATOM 731 O GLY A 52 8.318 1.001 6.526 1.00 0.00 O ATOM 0 H GLY A 52 8.485 3.029 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.894 1.314 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.176 1.328 9.576 1.00 0.00 H new ATOM 735 N GLN A 53 8.859 -0.722 7.879 1.00 0.00 N ATOM 736 CA GLN A 53 8.710 -1.797 6.913 1.00 0.00 C ATOM 737 C GLN A 53 7.223 -2.121 6.750 1.00 0.00 C ATOM 738 O GLN A 53 6.603 -2.633 7.681 1.00 0.00 O ATOM 739 CB GLN A 53 9.446 -3.033 7.458 1.00 0.00 C ATOM 740 CG GLN A 53 10.959 -2.840 7.637 1.00 0.00 C ATOM 741 CD GLN A 53 11.759 -3.271 6.413 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.209 -4.409 6.335 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.959 -2.385 5.446 1.00 0.00 N ATOM 0 H GLN A 53 9.130 -1.058 8.803 1.00 0.00 H new ATOM 0 HA GLN A 53 9.123 -1.506 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.010 -3.306 8.419 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.276 -3.870 6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.164 -1.791 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.293 -3.411 8.503 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.576 -1.443 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.496 -2.646 4.619 1.00 0.00 H new ATOM 752 N ARG A 54 6.622 -1.808 5.599 1.00 0.00 N ATOM 753 CA ARG A 54 5.226 -2.153 5.369 1.00 0.00 C ATOM 754 C ARG A 54 5.131 -3.666 5.172 1.00 0.00 C ATOM 755 O ARG A 54 5.433 -4.176 4.095 1.00 0.00 O ATOM 756 CB ARG A 54 4.649 -1.387 4.175 1.00 0.00 C ATOM 757 CG ARG A 54 4.632 0.118 4.469 1.00 0.00 C ATOM 758 CD ARG A 54 3.908 0.899 3.368 1.00 0.00 C ATOM 759 NE ARG A 54 3.751 2.313 3.741 1.00 0.00 N ATOM 760 CZ ARG A 54 2.743 2.794 4.483 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.860 1.961 5.040 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.604 4.103 4.676 1.00 0.00 N ATOM 0 H ARG A 54 7.076 -1.323 4.825 1.00 0.00 H new ATOM 0 HA ARG A 54 4.628 -1.862 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.246 -1.584 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.638 -1.735 3.965 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.141 0.297 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.655 0.483 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.469 0.825 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.929 0.456 3.187 1.00 0.00 H new ATOM 0 HE ARG A 54 4.457 2.972 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.951 0.955 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.095 2.331 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.269 4.754 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.833 4.456 5.243 1.00 0.00 H new ATOM 776 N MET A 55 4.755 -4.380 6.237 1.00 0.00 N ATOM 777 CA MET A 55 4.603 -5.827 6.249 1.00 0.00 C ATOM 778 C MET A 55 3.730 -6.293 5.081 1.00 0.00 C ATOM 779 O MET A 55 4.130 -7.161 4.309 1.00 0.00 O ATOM 780 CB MET A 55 4.014 -6.257 7.600 1.00 0.00 C ATOM 781 CG MET A 55 3.959 -7.785 7.736 1.00 0.00 C ATOM 782 SD MET A 55 3.392 -8.404 9.343 1.00 0.00 S ATOM 783 CE MET A 55 1.661 -7.888 9.297 1.00 0.00 C ATOM 0 H MET A 55 4.543 -3.949 7.137 1.00 0.00 H new ATOM 0 HA MET A 55 5.578 -6.298 6.124 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.616 -5.841 8.408 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.010 -5.846 7.706 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.300 -8.178 6.962 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.954 -8.186 7.542 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.140 -8.286 10.168 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.605 -6.799 9.306 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.192 -8.267 8.389 1.00 0.00 H new ATOM 793 N HIS A 56 2.524 -5.732 4.978 1.00 0.00 N ATOM 794 CA HIS A 56 1.580 -6.091 3.933 1.00 0.00 C ATOM 795 C HIS A 56 2.080 -5.655 2.559 1.00 0.00 C ATOM 796 O HIS A 56 2.698 -4.603 2.408 1.00 0.00 O ATOM 797 CB HIS A 56 0.207 -5.479 4.228 1.00 0.00 C ATOM 798 CG HIS A 56 -0.368 -5.966 5.528 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.336 -5.179 6.678 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.910 -7.185 5.835 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.891 -5.941 7.624 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.240 -7.157 7.174 1.00 0.00 N ATOM 0 H HIS A 56 2.180 -5.017 5.619 1.00 0.00 H new ATOM 0 HA HIS A 56 1.486 -7.177 3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.295 -4.393 4.256 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.479 -5.722 3.416 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.052 -8.013 5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.043 -5.614 8.642 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.665 -7.910 7.715 1.00 0.00 H new ATOM 810 N HIS A 57 1.777 -6.473 1.549 1.00 0.00 N ATOM 811 CA HIS A 57 2.145 -6.204 0.168 1.00 0.00 C ATOM 812 C HIS A 57 1.357 -5.007 -0.388 1.00 0.00 C ATOM 813 O HIS A 57 1.842 -4.243 -1.219 1.00 0.00 O ATOM 814 CB HIS A 57 1.935 -7.474 -0.672 1.00 0.00 C ATOM 815 CG HIS A 57 2.935 -7.480 -1.786 1.00 0.00 C ATOM 816 ND1 HIS A 57 3.044 -6.357 -2.589 1.00 0.00 N ATOM 817 CD2 HIS A 57 4.055 -8.253 -1.943 1.00 0.00 C ATOM 818 CE1 HIS A 57 4.283 -6.403 -3.053 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.920 -7.528 -2.728 1.00 0.00 N ATOM 0 H HIS A 57 1.265 -7.346 1.673 1.00 0.00 H new ATOM 0 HA HIS A 57 3.199 -5.932 0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.054 -8.362 -0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.922 -7.499 -1.073 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.331 -5.653 -2.780 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.225 -9.237 -1.532 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.731 -5.611 -3.635 1.00 0.00 H new ATOM 827 N THR A 58 0.158 -4.769 0.140 1.00 0.00 N ATOM 828 CA THR A 58 -0.752 -3.767 -0.380 1.00 0.00 C ATOM 829 C THR A 58 -0.584 -2.491 0.438 1.00 0.00 C ATOM 830 O THR A 58 -0.403 -2.556 1.653 1.00 0.00 O ATOM 831 CB THR A 58 -2.165 -4.331 -0.188 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.336 -4.650 1.180 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.398 -5.623 -0.973 1.00 0.00 C ATOM 0 H THR A 58 -0.206 -5.274 0.948 1.00 0.00 H new ATOM 0 HA THR A 58 -0.563 -3.539 -1.429 1.00 0.00 H new ATOM 0 HB THR A 58 -2.864 -3.574 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.674 -4.163 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.414 -5.976 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.257 -5.433 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.689 -6.382 -0.643 1.00 0.00 H new ATOM 841 N CYS A 59 -0.699 -1.344 -0.229 1.00 0.00 N ATOM 842 CA CYS A 59 -0.378 -0.039 0.329 1.00 0.00 C ATOM 843 C CYS A 59 -1.586 0.743 0.827 1.00 0.00 C ATOM 844 O CYS A 59 -2.727 0.366 0.565 1.00 0.00 O ATOM 845 CB CYS A 59 0.311 0.767 -0.773 1.00 0.00 C ATOM 846 SG CYS A 59 2.101 0.640 -0.723 1.00 0.00 S ATOM 0 H CYS A 59 -1.026 -1.299 -1.194 1.00 0.00 H new ATOM 0 HA CYS A 59 0.255 -0.200 1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.045 0.422 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.024 1.815 -0.682 1.00 0.00 H new ATOM 851 N PRO A 60 -1.337 1.849 1.552 1.00 0.00 N ATOM 852 CA PRO A 60 -2.390 2.715 2.036 1.00 0.00 C ATOM 853 C PRO A 60 -2.982 3.493 0.873 1.00 0.00 C ATOM 854 O PRO A 60 -2.360 3.661 -0.177 1.00 0.00 O ATOM 855 CB PRO A 60 -1.733 3.673 3.031 1.00 0.00 C ATOM 856 CG PRO A 60 -0.312 3.775 2.491 1.00 0.00 C ATOM 857 CD PRO A 60 -0.039 2.365 1.973 1.00 0.00 C ATOM 0 HA PRO A 60 -3.194 2.150 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.231 4.642 3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.755 3.281 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.234 4.518 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.395 4.063 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.666 2.381 1.142 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.399 1.739 2.750 1.00 0.00 H new ATOM 865 N CYS A 61 -4.193 3.988 1.098 1.00 0.00 N ATOM 866 CA CYS A 61 -4.924 4.762 0.122 1.00 0.00 C ATOM 867 C CYS A 61 -4.425 6.202 0.155 1.00 0.00 C ATOM 868 O CYS A 61 -4.008 6.679 1.212 1.00 0.00 O ATOM 869 CB CYS A 61 -6.418 4.644 0.411 1.00 0.00 C ATOM 870 SG CYS A 61 -7.004 2.948 0.560 1.00 0.00 S ATOM 0 H CYS A 61 -4.695 3.857 1.976 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.759 4.385 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.642 5.177 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.972 5.140 -0.386 1.00 0.00 H new ATOM 875 N ALA A 62 -4.441 6.887 -0.992 1.00 0.00 N ATOM 876 CA ALA A 62 -3.999 8.273 -1.097 1.00 0.00 C ATOM 877 C ALA A 62 -4.642 9.103 0.025 1.00 0.00 C ATOM 878 O ALA A 62 -5.866 9.039 0.145 1.00 0.00 O ATOM 879 CB ALA A 62 -4.390 8.845 -2.459 1.00 0.00 C ATOM 0 H ALA A 62 -4.763 6.491 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.914 8.313 -0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.056 9.880 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.920 8.258 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.473 8.805 -2.573 1.00 0.00 H new ATOM 885 N PRO A 63 -3.863 9.840 0.843 1.00 0.00 N ATOM 886 CA PRO A 63 -4.332 10.647 1.971 1.00 0.00 C ATOM 887 C PRO A 63 -5.540 11.540 1.676 1.00 0.00 C ATOM 888 O PRO A 63 -5.414 12.734 1.417 1.00 0.00 O ATOM 889 CB PRO A 63 -3.113 11.436 2.448 1.00 0.00 C ATOM 890 CG PRO A 63 -2.010 10.418 2.198 1.00 0.00 C ATOM 891 CD PRO A 63 -2.407 9.827 0.847 1.00 0.00 C ATOM 0 HA PRO A 63 -4.725 9.992 2.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.966 12.355 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.187 11.718 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.026 10.886 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.974 9.658 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.005 10.418 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.021 8.814 0.730 1.00 0.00 H new ATOM 899 N ASN A 64 -6.709 10.913 1.762 1.00 0.00 N ATOM 900 CA ASN A 64 -8.055 11.423 1.515 1.00 0.00 C ATOM 901 C ASN A 64 -8.982 10.209 1.456 1.00 0.00 C ATOM 902 O ASN A 64 -10.005 10.152 2.131 1.00 0.00 O ATOM 903 CB ASN A 64 -8.128 12.204 0.194 1.00 0.00 C ATOM 904 CG ASN A 64 -9.571 12.474 -0.212 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.182 13.440 0.229 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.127 11.623 -1.070 1.00 0.00 N ATOM 0 H ASN A 64 -6.740 9.931 2.035 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.346 12.113 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.595 13.149 0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.626 11.640 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.089 11.766 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.592 10.828 -1.419 1.00 0.00 H new ATOM 913 N LEU A 65 -8.605 9.237 0.624 1.00 0.00 N ATOM 914 CA LEU A 65 -9.284 7.975 0.468 1.00 0.00 C ATOM 915 C LEU A 65 -9.119 7.136 1.740 1.00 0.00 C ATOM 916 O LEU A 65 -8.225 7.393 2.550 1.00 0.00 O ATOM 917 CB LEU A 65 -8.624 7.244 -0.703 1.00 0.00 C ATOM 918 CG LEU A 65 -8.640 7.958 -2.062 1.00 0.00 C ATOM 919 CD1 LEU A 65 -7.853 7.120 -3.074 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.067 8.116 -2.583 1.00 0.00 C ATOM 0 H LEU A 65 -7.785 9.323 0.023 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.347 8.133 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.586 7.043 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.115 6.278 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.195 8.945 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.859 7.619 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.825 7.006 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.315 6.137 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.048 8.625 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.522 7.133 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.650 8.703 -1.874 1.00 0.00 H new ATOM 932 N ALA A 66 -9.948 6.102 1.884 1.00 0.00 N ATOM 933 CA ALA A 66 -9.944 5.171 3.001 1.00 0.00 C ATOM 934 C ALA A 66 -9.970 3.739 2.464 1.00 0.00 C ATOM 935 O ALA A 66 -10.475 3.484 1.370 1.00 0.00 O ATOM 936 CB ALA A 66 -11.147 5.446 3.905 1.00 0.00 C ATOM 0 H ALA A 66 -10.668 5.886 1.195 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.039 5.301 3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.141 4.747 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.091 6.466 4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.067 5.321 3.334 1.00 0.00 H new ATOM 942 N CYS A 67 -9.391 2.811 3.230 1.00 0.00 N ATOM 943 CA CYS A 67 -9.316 1.400 2.877 1.00 0.00 C ATOM 944 C CYS A 67 -10.548 0.684 3.423 1.00 0.00 C ATOM 945 O CYS A 67 -10.672 0.568 4.641 1.00 0.00 O ATOM 946 CB CYS A 67 -8.044 0.790 3.475 1.00 0.00 C ATOM 947 SG CYS A 67 -7.851 -0.935 3.001 1.00 0.00 S ATOM 0 H CYS A 67 -8.955 3.027 4.127 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.285 1.289 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.176 1.359 3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.079 0.868 4.562 1.00 0.00 H new ATOM 952 N VAL A 68 -11.455 0.217 2.556 1.00 0.00 N ATOM 953 CA VAL A 68 -12.711 -0.397 2.976 1.00 0.00 C ATOM 954 C VAL A 68 -12.956 -1.720 2.247 1.00 0.00 C ATOM 955 O VAL A 68 -12.425 -1.974 1.167 1.00 0.00 O ATOM 956 CB VAL A 68 -13.871 0.595 2.768 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.207 0.082 3.327 1.00 0.00 C ATOM 958 CG2 VAL A 68 -13.568 1.944 3.437 1.00 0.00 C ATOM 0 H VAL A 68 -11.334 0.256 1.544 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.649 -0.633 4.038 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.964 0.710 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.985 0.825 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.476 -0.850 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.110 -0.093 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -14.403 2.626 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.423 1.795 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.663 2.370 3.004 1.00 0.00 H new ATOM 968 N GLN A 69 -13.751 -2.591 2.868 1.00 0.00 N ATOM 969 CA GLN A 69 -14.141 -3.874 2.320 1.00 0.00 C ATOM 970 C GLN A 69 -15.046 -3.728 1.100 1.00 0.00 C ATOM 971 O GLN A 69 -16.012 -2.969 1.127 1.00 0.00 O ATOM 972 CB GLN A 69 -14.899 -4.653 3.404 1.00 0.00 C ATOM 973 CG GLN A 69 -13.946 -5.509 4.235 1.00 0.00 C ATOM 974 CD GLN A 69 -13.736 -6.860 3.558 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.645 -7.684 3.538 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.583 -7.089 2.939 1.00 0.00 N ATOM 0 H GLN A 69 -14.148 -2.412 3.790 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.238 -4.397 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.427 -3.956 4.054 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.652 -5.289 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.990 -4.998 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.352 -5.653 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.841 -6.390 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.440 -7.964 2.434 1.00 0.00 H new ATOM 985 N THR A 70 -14.739 -4.498 0.057 1.00 0.00 N ATOM 986 CA THR A 70 -15.573 -4.658 -1.129 1.00 0.00 C ATOM 987 C THR A 70 -16.162 -6.073 -1.107 1.00 0.00 C ATOM 988 O THR A 70 -17.296 -6.292 -1.532 1.00 0.00 O ATOM 989 CB THR A 70 -14.787 -4.335 -2.406 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.606 -5.105 -2.519 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.424 -2.848 -2.424 1.00 0.00 C ATOM 0 H THR A 70 -13.878 -5.043 0.015 1.00 0.00 H new ATOM 0 HA THR A 70 -16.399 -3.947 -1.123 1.00 0.00 H new ATOM 0 HB THR A 70 -15.427 -4.582 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.171 -5.167 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.866 -2.621 -3.332 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.335 -2.251 -2.399 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.812 -2.612 -1.553 1.00 0.00 H new ATOM 999 N SER A 71 -15.399 -7.046 -0.600 1.00 0.00 N ATOM 1000 CA SER A 71 -15.809 -8.426 -0.375 1.00 0.00 C ATOM 1001 C SER A 71 -14.810 -8.996 0.638 1.00 0.00 C ATOM 1002 O SER A 71 -13.746 -8.395 0.805 1.00 0.00 O ATOM 1003 CB SER A 71 -15.809 -9.237 -1.682 1.00 0.00 C ATOM 1004 OG SER A 71 -16.159 -8.451 -2.805 1.00 0.00 O ATOM 0 H SER A 71 -14.432 -6.879 -0.323 1.00 0.00 H new ATOM 0 HA SER A 71 -16.831 -8.478 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.821 -9.669 -1.838 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.509 -10.068 -1.591 1.00 0.00 H new ATOM 0 HG SER A 71 -16.144 -9.008 -3.611 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.111 -10.121 1.308 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.206 -10.767 2.249 1.00 0.00 C ATOM 1012 C PRO A 72 -12.773 -10.780 1.710 1.00 0.00 C ATOM 1013 O PRO A 72 -12.560 -11.176 0.565 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.773 -12.175 2.439 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.277 -11.941 2.290 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.354 -10.863 1.207 1.00 0.00 C ATOM 0 HA PRO A 72 -14.145 -10.239 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.393 -12.871 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.520 -12.587 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.799 -12.850 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.728 -11.607 3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.466 -11.308 0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.214 -10.211 1.363 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.814 -10.262 2.487 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.400 -10.124 2.126 1.00 0.00 C ATOM 1026 C LYS A 73 -10.160 -9.005 1.099 1.00 0.00 C ATOM 1027 O LYS A 73 -9.151 -8.305 1.174 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.777 -11.454 1.666 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.011 -12.589 2.673 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.298 -13.862 2.198 1.00 0.00 C ATOM 1031 CE LYS A 73 -9.591 -15.057 3.113 1.00 0.00 C ATOM 1032 NZ LYS A 73 -9.074 -14.849 4.477 1.00 0.00 N ATOM 0 H LYS A 73 -12.012 -9.913 3.425 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.887 -9.831 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.199 -11.735 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.706 -11.318 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.639 -12.298 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.079 -12.778 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.614 -14.097 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.223 -13.685 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.667 -15.226 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.144 -15.956 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.233 -15.707 5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.055 -14.646 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.569 -14.047 4.917 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.072 -8.819 0.142 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.982 -7.779 -0.867 1.00 0.00 C ATOM 1048 C LYS A 74 -11.192 -6.401 -0.231 1.00 0.00 C ATOM 1049 O LYS A 74 -12.290 -5.840 -0.250 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.978 -8.035 -2.005 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.802 -9.426 -2.625 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.621 -9.513 -3.919 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.739 -10.960 -4.410 1.00 0.00 C ATOM 1054 NZ LYS A 74 -11.420 -11.560 -4.674 1.00 0.00 N ATOM 0 H LYS A 74 -11.905 -9.400 0.051 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.982 -7.798 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.995 -7.934 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.849 -7.276 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.749 -9.612 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.128 -10.193 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.616 -9.102 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.151 -8.903 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.265 -11.555 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.339 -10.987 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.545 -12.493 -5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.880 -10.944 -5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.902 -11.667 -3.779 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.104 -5.840 0.291 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.051 -4.515 0.885 1.00 0.00 C ATOM 1070 C PHE A 75 -9.508 -3.589 -0.200 1.00 0.00 C ATOM 1071 O PHE A 75 -8.401 -3.807 -0.694 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.098 -4.528 2.084 1.00 0.00 C ATOM 1073 CG PHE A 75 -9.699 -5.031 3.379 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.356 -4.126 4.235 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.417 -6.334 3.831 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -10.810 -4.553 5.495 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -9.939 -6.782 5.056 1.00 0.00 C ATOM 1078 CZ PHE A 75 -10.658 -5.897 5.878 1.00 0.00 C ATOM 0 H PHE A 75 -9.203 -6.318 0.310 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.030 -4.189 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.237 -5.149 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.726 -3.516 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.511 -3.104 3.923 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.799 -6.990 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.275 -3.849 6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.788 -7.806 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.093 -6.249 6.802 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.300 -2.586 -0.591 1.00 0.00 N ATOM 1089 CA LYS A 76 -9.953 -1.644 -1.650 1.00 0.00 C ATOM 1090 C LYS A 76 -10.137 -0.202 -1.193 1.00 0.00 C ATOM 1091 O LYS A 76 -10.828 0.090 -0.217 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.730 -1.922 -2.951 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.359 -3.278 -3.559 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.198 -3.527 -4.815 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.611 -4.649 -5.678 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.472 -5.908 -4.926 1.00 0.00 N ATOM 0 H LYS A 76 -11.213 -2.406 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.896 -1.791 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.800 -1.896 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.524 -1.132 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.298 -3.297 -3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.530 -4.072 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.217 -3.786 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.256 -2.610 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.252 -4.813 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.636 -4.343 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.505 -6.712 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.563 -5.912 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.250 -5.990 -4.240 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.472 0.701 -1.908 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.455 2.119 -1.613 1.00 0.00 C ATOM 1112 C CYS A 77 -10.689 2.801 -2.177 1.00 0.00 C ATOM 1113 O CYS A 77 -10.878 2.804 -3.394 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.187 2.736 -2.205 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.681 2.229 -1.360 1.00 0.00 S ATOM 0 H CYS A 77 -8.918 0.454 -2.728 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.460 2.261 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.115 2.460 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.268 3.822 -2.166 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.513 3.386 -1.306 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.705 4.132 -1.687 1.00 0.00 C ATOM 1122 C LEU A 78 -12.633 5.536 -1.086 1.00 0.00 C ATOM 1123 O LEU A 78 -11.826 5.803 -0.197 1.00 0.00 O ATOM 1124 CB LEU A 78 -13.966 3.396 -1.206 1.00 0.00 C ATOM 1125 CG LEU A 78 -14.161 1.999 -1.821 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.416 1.361 -1.212 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.334 2.050 -3.344 1.00 0.00 C ATOM 0 H LEU A 78 -11.364 3.352 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.755 4.213 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.924 3.299 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.839 4.007 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.267 1.415 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.565 0.370 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.293 1.275 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.283 1.984 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.468 1.039 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.209 2.651 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.448 2.496 -3.796 1.00 0.00 H new ATOM 1139 N SER A 79 -13.474 6.447 -1.579 1.00 0.00 N ATOM 1140 CA SER A 79 -13.543 7.824 -1.103 1.00 0.00 C ATOM 1141 C SER A 79 -14.508 7.946 0.081 1.00 0.00 C ATOM 1142 O SER A 79 -15.206 8.951 0.203 1.00 0.00 O ATOM 1143 CB SER A 79 -13.975 8.728 -2.262 1.00 0.00 C ATOM 1144 OG SER A 79 -13.197 8.443 -3.413 1.00 0.00 O ATOM 0 H SER A 79 -14.134 6.243 -2.330 1.00 0.00 H new ATOM 0 HA SER A 79 -12.560 8.136 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.032 8.575 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.856 9.775 -1.982 1.00 0.00 H new ATOM 0 HG SER A 79 -13.479 9.023 -4.151 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.559 6.916 0.925 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.393 6.760 2.097 1.00 0.00 C ATOM 1152 C LYS A 80 -14.860 5.483 2.750 1.00 0.00 C ATOM 1153 O LYS A 80 -15.091 5.301 3.964 1.00 0.00 O ATOM 1154 CB LYS A 80 -16.867 6.623 1.681 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.803 6.571 2.896 1.00 0.00 C ATOM 1156 CD LYS A 80 -19.277 6.387 2.500 1.00 0.00 C ATOM 1157 CE LYS A 80 -19.814 7.477 1.562 1.00 0.00 C ATOM 1158 NZ LYS A 80 -19.571 8.831 2.092 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.204 4.723 1.999 1.00 0.00 O ATOM 0 H LYS A 80 -13.961 6.102 0.786 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.358 7.610 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.144 7.464 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.994 5.718 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.501 5.751 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.697 7.491 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.394 5.417 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.886 6.368 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.341 7.380 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.884 7.333 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.037 9.532 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.956 8.901 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.548 9.017 2.114 1.00 0.00 H new TER 1173 LYS A 80