USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 TYR OH : rot 180:sc= -0.147 USER MOD Set 1.2: A 85 GLN : amide:sc= -2.64 K(o=-2.8,f=-4.9!) USER MOD Set 2.1: A 38 TYR OH : rot 177:sc= 0.0635 USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -160:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= -0.333 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -157:sc= 1.1 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 147:sc= 0 (180deg=-0.665) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 27 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.68) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 63 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.44) USER MOD Single : A 65 GLN : amide:sc= -1.57 K(o=-1.6,f=-8.1!) USER MOD Single : A 67 ASN : amide:sc= -0.524 K(o=-0.52,f=-1.6) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -1.84 (180deg=-2.02) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -0.225 (180deg=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 87:sc= 0.184 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.726 -20.965 -7.829 1.00 0.00 N ATOM 2 CA GLY A 1 -12.088 -21.534 -9.115 1.00 0.00 C ATOM 3 C GLY A 1 -13.408 -22.276 -9.069 1.00 0.00 C ATOM 4 O GLY A 1 -13.574 -23.216 -8.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.816 -20.468 -7.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.461 -20.293 -7.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.642 -21.725 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.148 -20.738 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.303 -22.216 -9.441 1.00 0.00 H new ATOM 8 N SER A 2 -14.352 -21.852 -9.904 1.00 0.00 N ATOM 9 CA SER A 2 -15.667 -22.480 -9.952 1.00 0.00 C ATOM 10 C SER A 2 -16.349 -22.418 -8.588 1.00 0.00 C ATOM 11 O SER A 2 -16.957 -23.391 -8.142 1.00 0.00 O ATOM 12 CB SER A 2 -15.546 -23.935 -10.409 1.00 0.00 C ATOM 13 OG SER A 2 -15.640 -24.036 -11.819 1.00 0.00 O ATOM 0 H SER A 2 -14.230 -21.077 -10.556 1.00 0.00 H new ATOM 0 HA SER A 2 -16.277 -21.932 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.594 -24.347 -10.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.332 -24.532 -9.945 1.00 0.00 H new ATOM 0 HG SER A 2 -15.558 -24.975 -12.086 1.00 0.00 H new ATOM 19 N SER A 3 -16.243 -21.268 -7.932 1.00 0.00 N ATOM 20 CA SER A 3 -16.845 -21.079 -6.618 1.00 0.00 C ATOM 21 C SER A 3 -16.877 -19.601 -6.241 1.00 0.00 C ATOM 22 O SER A 3 -16.134 -18.792 -6.796 1.00 0.00 O ATOM 23 CB SER A 3 -16.072 -21.869 -5.561 1.00 0.00 C ATOM 24 OG SER A 3 -14.820 -21.265 -5.286 1.00 0.00 O ATOM 0 H SER A 3 -15.745 -20.452 -8.289 1.00 0.00 H new ATOM 0 HA SER A 3 -17.870 -21.447 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.660 -21.928 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.918 -22.891 -5.907 1.00 0.00 H new ATOM 0 HG SER A 3 -14.347 -21.788 -4.606 1.00 0.00 H new ATOM 30 N GLY A 4 -17.744 -19.255 -5.295 1.00 0.00 N ATOM 31 CA GLY A 4 -17.858 -17.875 -4.860 1.00 0.00 C ATOM 32 C GLY A 4 -16.536 -17.308 -4.382 1.00 0.00 C ATOM 33 O GLY A 4 -15.853 -16.601 -5.122 1.00 0.00 O ATOM 0 H GLY A 4 -18.370 -19.906 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.234 -17.268 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.590 -17.810 -4.055 1.00 0.00 H new ATOM 37 N SER A 5 -16.177 -17.615 -3.140 1.00 0.00 N ATOM 38 CA SER A 5 -14.931 -17.126 -2.562 1.00 0.00 C ATOM 39 C SER A 5 -13.755 -17.397 -3.496 1.00 0.00 C ATOM 40 O SER A 5 -13.795 -18.318 -4.312 1.00 0.00 O ATOM 41 CB SER A 5 -14.680 -17.785 -1.204 1.00 0.00 C ATOM 42 OG SER A 5 -14.538 -19.189 -1.337 1.00 0.00 O ATOM 0 H SER A 5 -16.731 -18.200 -2.515 1.00 0.00 H new ATOM 0 HA SER A 5 -15.022 -16.049 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.780 -17.366 -0.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.507 -17.562 -0.530 1.00 0.00 H new ATOM 0 HG SER A 5 -14.696 -19.617 -0.470 1.00 0.00 H new ATOM 48 N SER A 6 -12.709 -16.586 -3.371 1.00 0.00 N ATOM 49 CA SER A 6 -11.522 -16.735 -4.205 1.00 0.00 C ATOM 50 C SER A 6 -10.326 -17.188 -3.374 1.00 0.00 C ATOM 51 O SER A 6 -9.386 -17.788 -3.894 1.00 0.00 O ATOM 52 CB SER A 6 -11.199 -15.415 -4.908 1.00 0.00 C ATOM 53 OG SER A 6 -11.969 -15.264 -6.089 1.00 0.00 O ATOM 0 H SER A 6 -12.660 -15.819 -2.700 1.00 0.00 H new ATOM 0 HA SER A 6 -11.729 -17.498 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.396 -14.582 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.138 -15.381 -5.155 1.00 0.00 H new ATOM 0 HG SER A 6 -11.467 -14.731 -6.741 1.00 0.00 H new ATOM 59 N GLY A 7 -10.370 -16.895 -2.077 1.00 0.00 N ATOM 60 CA GLY A 7 -9.285 -17.279 -1.193 1.00 0.00 C ATOM 61 C GLY A 7 -8.136 -16.291 -1.224 1.00 0.00 C ATOM 62 O GLY A 7 -7.919 -15.609 -2.226 1.00 0.00 O ATOM 0 H GLY A 7 -11.137 -16.399 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.662 -17.361 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.920 -18.266 -1.478 1.00 0.00 H new ATOM 66 N CYS A 8 -7.396 -16.212 -0.122 1.00 0.00 N ATOM 67 CA CYS A 8 -6.264 -15.299 -0.025 1.00 0.00 C ATOM 68 C CYS A 8 -4.945 -16.067 -0.009 1.00 0.00 C ATOM 69 O CYS A 8 -4.922 -17.278 0.213 1.00 0.00 O ATOM 70 CB CYS A 8 -6.381 -14.439 1.236 1.00 0.00 C ATOM 71 SG CYS A 8 -5.267 -12.999 1.260 1.00 0.00 S ATOM 0 H CYS A 8 -7.561 -16.770 0.716 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.277 -14.651 -0.901 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.409 -14.091 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.173 -15.060 2.107 1.00 0.00 H new ATOM 76 N LYS A 9 -3.850 -15.354 -0.246 1.00 0.00 N ATOM 77 CA LYS A 9 -2.526 -15.967 -0.258 1.00 0.00 C ATOM 78 C LYS A 9 -1.774 -15.661 1.033 1.00 0.00 C ATOM 79 O LYS A 9 -0.761 -16.293 1.339 1.00 0.00 O ATOM 80 CB LYS A 9 -1.721 -15.467 -1.459 1.00 0.00 C ATOM 81 CG LYS A 9 -2.392 -15.736 -2.795 1.00 0.00 C ATOM 82 CD LYS A 9 -1.412 -15.603 -3.949 1.00 0.00 C ATOM 83 CE LYS A 9 -2.009 -16.121 -5.249 1.00 0.00 C ATOM 84 NZ LYS A 9 -0.956 -16.444 -6.252 1.00 0.00 N ATOM 0 H LYS A 9 -3.852 -14.351 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.653 -17.047 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.556 -14.395 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.740 -15.943 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.819 -16.739 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.218 -15.038 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.129 -14.557 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.501 -16.156 -3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.603 -17.012 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.686 -15.373 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.403 -16.794 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.405 -15.588 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.324 -17.176 -5.869 1.00 0.00 H new ATOM 98 N LEU A 10 -2.275 -14.691 1.789 1.00 0.00 N ATOM 99 CA LEU A 10 -1.651 -14.302 3.050 1.00 0.00 C ATOM 100 C LEU A 10 -2.395 -14.909 4.235 1.00 0.00 C ATOM 101 O LEU A 10 -1.859 -15.754 4.952 1.00 0.00 O ATOM 102 CB LEU A 10 -1.620 -12.778 3.178 1.00 0.00 C ATOM 103 CG LEU A 10 -0.939 -12.022 2.036 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.509 -10.619 1.910 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.567 -11.971 2.254 1.00 0.00 C ATOM 0 H LEU A 10 -3.112 -14.159 1.551 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.629 -14.681 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.646 -12.420 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.114 -12.522 4.109 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.134 -12.555 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.012 -10.097 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.578 -10.678 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.346 -10.075 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.035 -11.430 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.782 -11.461 3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.964 -12.986 2.293 1.00 0.00 H new ATOM 117 N CYS A 11 -3.634 -14.472 4.435 1.00 0.00 N ATOM 118 CA CYS A 11 -4.454 -14.971 5.532 1.00 0.00 C ATOM 119 C CYS A 11 -5.220 -16.223 5.113 1.00 0.00 C ATOM 120 O CYS A 11 -6.026 -16.757 5.876 1.00 0.00 O ATOM 121 CB CYS A 11 -5.434 -13.892 5.997 1.00 0.00 C ATOM 122 SG CYS A 11 -6.689 -13.443 4.756 1.00 0.00 S ATOM 0 H CYS A 11 -4.092 -13.773 3.851 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.792 -15.231 6.358 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.938 -14.239 6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.872 -12.999 6.269 1.00 0.00 H new ATOM 127 N LEU A 12 -4.964 -16.686 3.894 1.00 0.00 N ATOM 128 CA LEU A 12 -5.628 -17.874 3.372 1.00 0.00 C ATOM 129 C LEU A 12 -7.095 -17.905 3.786 1.00 0.00 C ATOM 130 O LEU A 12 -7.609 -18.937 4.216 1.00 0.00 O ATOM 131 CB LEU A 12 -4.921 -19.138 3.867 1.00 0.00 C ATOM 132 CG LEU A 12 -3.555 -19.430 3.243 1.00 0.00 C ATOM 133 CD1 LEU A 12 -3.711 -19.854 1.791 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.648 -18.213 3.352 1.00 0.00 C ATOM 0 H LEU A 12 -4.301 -16.256 3.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.577 -17.838 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.796 -19.061 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.573 -19.992 3.681 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.094 -20.251 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.729 -20.057 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.323 -20.754 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.193 -19.054 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.681 -18.439 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.103 -17.372 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.509 -17.955 4.402 1.00 0.00 H new ATOM 146 N GLY A 13 -7.766 -16.765 3.652 1.00 0.00 N ATOM 147 CA GLY A 13 -9.169 -16.682 4.015 1.00 0.00 C ATOM 148 C GLY A 13 -10.084 -16.717 2.807 1.00 0.00 C ATOM 149 O GLY A 13 -9.817 -16.060 1.801 1.00 0.00 O ATOM 0 H GLY A 13 -7.363 -15.897 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.419 -17.509 4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.343 -15.761 4.572 1.00 0.00 H new ATOM 153 N GLU A 14 -11.165 -17.484 2.905 1.00 0.00 N ATOM 154 CA GLU A 14 -12.119 -17.602 1.810 1.00 0.00 C ATOM 155 C GLU A 14 -13.065 -16.405 1.782 1.00 0.00 C ATOM 156 O GLU A 14 -13.999 -16.318 2.579 1.00 0.00 O ATOM 157 CB GLU A 14 -12.924 -18.897 1.941 1.00 0.00 C ATOM 158 CG GLU A 14 -12.183 -20.126 1.441 1.00 0.00 C ATOM 159 CD GLU A 14 -12.964 -21.407 1.661 1.00 0.00 C ATOM 160 OE1 GLU A 14 -13.542 -21.570 2.756 1.00 0.00 O ATOM 161 OE2 GLU A 14 -12.997 -22.247 0.738 1.00 0.00 O ATOM 0 H GLU A 14 -11.402 -18.033 3.732 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.558 -17.624 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.191 -19.045 2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.856 -18.794 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.972 -20.011 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.222 -20.199 1.950 1.00 0.00 H new ATOM 168 N TYR A 15 -12.816 -15.483 0.858 1.00 0.00 N ATOM 169 CA TYR A 15 -13.641 -14.289 0.727 1.00 0.00 C ATOM 170 C TYR A 15 -14.162 -14.141 -0.699 1.00 0.00 C ATOM 171 O TYR A 15 -13.532 -14.571 -1.665 1.00 0.00 O ATOM 172 CB TYR A 15 -12.843 -13.045 1.122 1.00 0.00 C ATOM 173 CG TYR A 15 -11.987 -13.241 2.353 1.00 0.00 C ATOM 174 CD1 TYR A 15 -12.542 -13.195 3.624 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.621 -13.473 2.242 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.762 -13.373 4.752 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.834 -13.654 3.363 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.409 -13.602 4.615 1.00 0.00 C ATOM 179 OH TYR A 15 -9.629 -13.781 5.735 1.00 0.00 O ATOM 0 H TYR A 15 -12.049 -15.540 0.189 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.494 -14.393 1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.204 -12.753 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.534 -12.221 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.602 -13.017 3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.167 -13.512 1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -12.210 -13.333 5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.774 -13.835 3.259 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.696 -13.569 5.522 1.00 0.00 H new ATOM 189 N PRO A 16 -15.341 -13.515 -0.836 1.00 0.00 N ATOM 190 CA PRO A 16 -15.974 -13.294 -2.139 1.00 0.00 C ATOM 191 C PRO A 16 -15.221 -12.269 -2.982 1.00 0.00 C ATOM 192 O PRO A 16 -14.707 -11.280 -2.461 1.00 0.00 O ATOM 193 CB PRO A 16 -17.364 -12.768 -1.775 1.00 0.00 C ATOM 194 CG PRO A 16 -17.196 -12.156 -0.427 1.00 0.00 C ATOM 195 CD PRO A 16 -16.147 -12.976 0.273 1.00 0.00 C ATOM 0 HA PRO A 16 -15.992 -14.202 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.713 -12.035 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.099 -13.572 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.887 -11.114 -0.507 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.135 -12.168 0.127 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.546 -12.368 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.591 -13.772 0.871 1.00 0.00 H new ATOM 203 N VAL A 17 -15.162 -12.513 -4.287 1.00 0.00 N ATOM 204 CA VAL A 17 -14.473 -11.610 -5.202 1.00 0.00 C ATOM 205 C VAL A 17 -14.888 -10.163 -4.963 1.00 0.00 C ATOM 206 O VAL A 17 -14.169 -9.233 -5.324 1.00 0.00 O ATOM 207 CB VAL A 17 -14.755 -11.977 -6.671 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.150 -13.332 -7.009 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.252 -11.972 -6.943 1.00 0.00 C ATOM 0 H VAL A 17 -15.582 -13.328 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.406 -11.716 -5.007 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.289 -11.227 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.360 -13.574 -8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.072 -13.298 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.585 -14.096 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.433 -12.233 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.742 -12.700 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.655 -10.979 -6.743 1.00 0.00 H new ATOM 219 N GLU A 18 -16.055 -9.981 -4.352 1.00 0.00 N ATOM 220 CA GLU A 18 -16.567 -8.646 -4.065 1.00 0.00 C ATOM 221 C GLU A 18 -15.696 -7.941 -3.029 1.00 0.00 C ATOM 222 O GLU A 18 -15.481 -6.731 -3.104 1.00 0.00 O ATOM 223 CB GLU A 18 -18.010 -8.726 -3.564 1.00 0.00 C ATOM 224 CG GLU A 18 -19.038 -8.803 -4.680 1.00 0.00 C ATOM 225 CD GLU A 18 -19.149 -7.509 -5.462 1.00 0.00 C ATOM 226 OE1 GLU A 18 -18.389 -7.338 -6.438 1.00 0.00 O ATOM 227 OE2 GLU A 18 -19.996 -6.666 -5.098 1.00 0.00 O ATOM 0 H GLU A 18 -16.663 -10.741 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.542 -8.069 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.115 -9.602 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.221 -7.852 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.771 -9.612 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -20.011 -9.051 -4.256 1.00 0.00 H new ATOM 234 N GLN A 19 -15.198 -8.706 -2.063 1.00 0.00 N ATOM 235 CA GLN A 19 -14.351 -8.155 -1.012 1.00 0.00 C ATOM 236 C GLN A 19 -12.877 -8.406 -1.312 1.00 0.00 C ATOM 237 O GLN A 19 -12.086 -8.668 -0.406 1.00 0.00 O ATOM 238 CB GLN A 19 -14.720 -8.766 0.341 1.00 0.00 C ATOM 239 CG GLN A 19 -16.018 -8.225 0.920 1.00 0.00 C ATOM 240 CD GLN A 19 -16.546 -9.071 2.061 1.00 0.00 C ATOM 241 OE1 GLN A 19 -17.545 -9.775 1.918 1.00 0.00 O ATOM 242 NE2 GLN A 19 -15.874 -9.008 3.205 1.00 0.00 N ATOM 0 H GLN A 19 -15.366 -9.709 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.516 -7.078 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.804 -9.847 0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.911 -8.579 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.857 -7.206 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.770 -8.175 0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.050 -8.411 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.182 -9.557 4.008 1.00 0.00 H new ATOM 251 N MET A 20 -12.516 -8.325 -2.588 1.00 0.00 N ATOM 252 CA MET A 20 -11.136 -8.543 -3.007 1.00 0.00 C ATOM 253 C MET A 20 -10.701 -7.484 -4.014 1.00 0.00 C ATOM 254 O MET A 20 -11.534 -6.832 -4.645 1.00 0.00 O ATOM 255 CB MET A 20 -10.979 -9.939 -3.615 1.00 0.00 C ATOM 256 CG MET A 20 -11.432 -11.058 -2.692 1.00 0.00 C ATOM 257 SD MET A 20 -10.168 -11.522 -1.492 1.00 0.00 S ATOM 258 CE MET A 20 -9.344 -12.851 -2.365 1.00 0.00 C ATOM 0 H MET A 20 -13.159 -8.110 -3.350 1.00 0.00 H new ATOM 0 HA MET A 20 -10.498 -8.465 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.551 -9.989 -4.541 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.933 -10.097 -3.877 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.332 -10.746 -2.163 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.699 -11.930 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.285 -12.855 -2.107 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.790 -13.804 -2.081 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.455 -12.704 -3.439 1.00 0.00 H new ATOM 268 N THR A 21 -9.389 -7.318 -4.161 1.00 0.00 N ATOM 269 CA THR A 21 -8.843 -6.338 -5.091 1.00 0.00 C ATOM 270 C THR A 21 -7.790 -6.966 -5.998 1.00 0.00 C ATOM 271 O THR A 21 -6.812 -7.544 -5.522 1.00 0.00 O ATOM 272 CB THR A 21 -8.217 -5.144 -4.346 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.160 -4.596 -3.419 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.775 -4.066 -5.324 1.00 0.00 C ATOM 0 H THR A 21 -8.686 -7.850 -3.648 1.00 0.00 H new ATOM 0 HA THR A 21 -9.675 -5.982 -5.698 1.00 0.00 H new ATOM 0 HB THR A 21 -7.341 -5.502 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.754 -3.839 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.336 -3.233 -4.774 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.035 -4.478 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.637 -3.713 -5.890 1.00 0.00 H new ATOM 282 N THR A 22 -7.996 -6.849 -7.306 1.00 0.00 N ATOM 283 CA THR A 22 -7.064 -7.406 -8.278 1.00 0.00 C ATOM 284 C THR A 22 -6.071 -6.353 -8.753 1.00 0.00 C ATOM 285 O THR A 22 -6.438 -5.201 -8.992 1.00 0.00 O ATOM 286 CB THR A 22 -7.805 -7.983 -9.499 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.755 -8.968 -9.075 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.825 -8.607 -10.482 1.00 0.00 C ATOM 0 H THR A 22 -8.800 -6.374 -7.716 1.00 0.00 H new ATOM 0 HA THR A 22 -6.525 -8.209 -7.775 1.00 0.00 H new ATOM 0 HB THR A 22 -8.326 -7.167 -9.999 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.223 -9.329 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.371 -9.008 -11.336 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.121 -7.849 -10.825 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.279 -9.412 -9.990 1.00 0.00 H new ATOM 296 N ILE A 23 -4.811 -6.753 -8.890 1.00 0.00 N ATOM 297 CA ILE A 23 -3.765 -5.843 -9.339 1.00 0.00 C ATOM 298 C ILE A 23 -3.516 -5.987 -10.836 1.00 0.00 C ATOM 299 O ILE A 23 -3.310 -7.092 -11.338 1.00 0.00 O ATOM 300 CB ILE A 23 -2.444 -6.087 -8.584 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.713 -6.292 -7.092 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.488 -4.924 -8.801 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.584 -6.987 -6.364 1.00 0.00 C ATOM 0 H ILE A 23 -4.490 -7.702 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.114 -4.832 -9.127 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.980 -6.992 -8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.892 -5.323 -6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.625 -6.876 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.559 -5.111 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.275 -4.822 -9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.943 -4.005 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.844 -7.098 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.419 -7.971 -6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.674 -6.393 -6.452 1.00 0.00 H new ATOM 315 N ALA A 24 -3.535 -4.862 -11.545 1.00 0.00 N ATOM 316 CA ALA A 24 -3.307 -4.862 -12.984 1.00 0.00 C ATOM 317 C ALA A 24 -1.817 -4.834 -13.304 1.00 0.00 C ATOM 318 O ALA A 24 -1.415 -4.417 -14.391 1.00 0.00 O ATOM 319 CB ALA A 24 -4.012 -3.678 -13.630 1.00 0.00 C ATOM 0 H ALA A 24 -3.706 -3.939 -11.145 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.721 -5.784 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.833 -3.690 -14.705 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.083 -3.744 -13.440 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.625 -2.750 -13.209 1.00 0.00 H new ATOM 325 N GLN A 25 -1.003 -5.277 -12.352 1.00 0.00 N ATOM 326 CA GLN A 25 0.444 -5.299 -12.534 1.00 0.00 C ATOM 327 C GLN A 25 0.962 -6.732 -12.595 1.00 0.00 C ATOM 328 O GLN A 25 1.750 -7.082 -13.474 1.00 0.00 O ATOM 329 CB GLN A 25 1.133 -4.542 -11.398 1.00 0.00 C ATOM 330 CG GLN A 25 1.319 -3.059 -11.680 1.00 0.00 C ATOM 331 CD GLN A 25 2.249 -2.799 -12.848 1.00 0.00 C ATOM 332 OE1 GLN A 25 1.820 -2.336 -13.906 1.00 0.00 O ATOM 333 NE2 GLN A 25 3.530 -3.095 -12.663 1.00 0.00 N ATOM 0 H GLN A 25 -1.320 -5.625 -11.447 1.00 0.00 H new ATOM 0 HA GLN A 25 0.675 -4.808 -13.480 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.547 -4.659 -10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.108 -4.993 -11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.348 -2.608 -11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.715 -2.571 -10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.841 -3.477 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.203 -2.941 -13.414 1.00 0.00 H new ATOM 342 N CYS A 26 0.517 -7.558 -11.653 1.00 0.00 N ATOM 343 CA CYS A 26 0.936 -8.952 -11.598 1.00 0.00 C ATOM 344 C CYS A 26 -0.269 -9.878 -11.451 1.00 0.00 C ATOM 345 O CYS A 26 -0.141 -11.012 -10.992 1.00 0.00 O ATOM 346 CB CYS A 26 1.904 -9.170 -10.433 1.00 0.00 C ATOM 347 SG CYS A 26 1.256 -8.634 -8.817 1.00 0.00 S ATOM 0 H CYS A 26 -0.134 -7.285 -10.917 1.00 0.00 H new ATOM 0 HA CYS A 26 1.443 -9.189 -12.533 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.157 -10.229 -10.378 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.829 -8.632 -10.638 1.00 0.00 H new ATOM 352 N GLN A 27 -1.438 -9.383 -11.845 1.00 0.00 N ATOM 353 CA GLN A 27 -2.666 -10.165 -11.758 1.00 0.00 C ATOM 354 C GLN A 27 -2.739 -10.917 -10.433 1.00 0.00 C ATOM 355 O GLN A 27 -3.026 -12.115 -10.401 1.00 0.00 O ATOM 356 CB GLN A 27 -2.752 -11.152 -12.924 1.00 0.00 C ATOM 357 CG GLN A 27 -3.340 -10.548 -14.188 1.00 0.00 C ATOM 358 CD GLN A 27 -4.754 -10.037 -13.988 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.726 -10.751 -14.235 1.00 0.00 O ATOM 360 NE2 GLN A 27 -4.875 -8.793 -13.538 1.00 0.00 N ATOM 0 H GLN A 27 -1.561 -8.445 -12.227 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.510 -9.477 -11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.754 -11.531 -13.143 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.359 -12.006 -12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.705 -9.728 -14.523 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.337 -11.297 -14.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.042 -8.237 -13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.801 -8.394 -13.384 1.00 0.00 H new ATOM 369 N CYS A 28 -2.476 -10.208 -9.340 1.00 0.00 N ATOM 370 CA CYS A 28 -2.511 -10.809 -8.011 1.00 0.00 C ATOM 371 C CYS A 28 -3.696 -10.282 -7.208 1.00 0.00 C ATOM 372 O CYS A 28 -3.851 -9.074 -7.030 1.00 0.00 O ATOM 373 CB CYS A 28 -1.206 -10.521 -7.265 1.00 0.00 C ATOM 374 SG CYS A 28 0.211 -11.513 -7.835 1.00 0.00 S ATOM 0 H CYS A 28 -2.236 -9.217 -9.348 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.625 -11.887 -8.128 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.963 -9.464 -7.374 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.360 -10.704 -6.202 1.00 0.00 H new ATOM 379 N ILE A 29 -4.530 -11.198 -6.725 1.00 0.00 N ATOM 380 CA ILE A 29 -5.700 -10.827 -5.940 1.00 0.00 C ATOM 381 C ILE A 29 -5.435 -10.993 -4.447 1.00 0.00 C ATOM 382 O ILE A 29 -4.767 -11.937 -4.025 1.00 0.00 O ATOM 383 CB ILE A 29 -6.929 -11.668 -6.329 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.212 -10.995 -5.837 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.810 -13.074 -5.758 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.461 -11.502 -6.520 1.00 0.00 C ATOM 0 H ILE A 29 -4.416 -12.202 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.905 -9.779 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.973 -11.740 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.306 -11.153 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.132 -9.920 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.686 -13.657 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.913 -13.552 -6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.745 -13.021 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.331 -10.980 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.389 -11.320 -7.592 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.565 -12.572 -6.340 1.00 0.00 H new ATOM 398 N PHE A 30 -5.965 -10.070 -3.651 1.00 0.00 N ATOM 399 CA PHE A 30 -5.787 -10.114 -2.204 1.00 0.00 C ATOM 400 C PHE A 30 -6.952 -9.433 -1.492 1.00 0.00 C ATOM 401 O PHE A 30 -7.536 -8.479 -2.006 1.00 0.00 O ATOM 402 CB PHE A 30 -4.470 -9.442 -1.810 1.00 0.00 C ATOM 403 CG PHE A 30 -3.266 -10.044 -2.477 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.961 -11.384 -2.306 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.441 -9.269 -3.277 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.854 -11.942 -2.919 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.334 -9.821 -3.892 1.00 0.00 C ATOM 408 CZ PHE A 30 -1.039 -11.159 -3.712 1.00 0.00 C ATOM 0 H PHE A 30 -6.521 -9.282 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.759 -11.160 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.523 -8.383 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.347 -9.508 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.595 -12.001 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.666 -8.223 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.627 -12.988 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.699 -9.207 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.173 -11.591 -4.191 1.00 0.00 H new ATOM 418 N CYS A 31 -7.284 -9.931 -0.306 1.00 0.00 N ATOM 419 CA CYS A 31 -8.379 -9.373 0.479 1.00 0.00 C ATOM 420 C CYS A 31 -8.035 -7.972 0.973 1.00 0.00 C ATOM 421 O CYS A 31 -6.999 -7.761 1.605 1.00 0.00 O ATOM 422 CB CYS A 31 -8.698 -10.282 1.668 1.00 0.00 C ATOM 423 SG CYS A 31 -7.492 -10.177 3.027 1.00 0.00 S ATOM 0 H CYS A 31 -6.810 -10.720 0.133 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.257 -9.307 -0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.686 -10.027 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.748 -11.314 1.320 1.00 0.00 H new ATOM 428 N THR A 32 -8.911 -7.014 0.683 1.00 0.00 N ATOM 429 CA THR A 32 -8.699 -5.633 1.097 1.00 0.00 C ATOM 430 C THR A 32 -7.943 -5.565 2.419 1.00 0.00 C ATOM 431 O THR A 32 -6.919 -4.887 2.527 1.00 0.00 O ATOM 432 CB THR A 32 -10.035 -4.880 1.244 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.792 -4.985 0.033 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.796 -3.415 1.575 1.00 0.00 C ATOM 0 H THR A 32 -9.774 -7.170 0.163 1.00 0.00 H new ATOM 0 HA THR A 32 -8.105 -5.157 0.317 1.00 0.00 H new ATOM 0 HB THR A 32 -10.595 -5.333 2.062 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.640 -4.505 0.135 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.753 -2.903 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.245 -3.339 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.218 -2.951 0.776 1.00 0.00 H new ATOM 442 N LEU A 33 -8.452 -6.271 3.423 1.00 0.00 N ATOM 443 CA LEU A 33 -7.823 -6.290 4.740 1.00 0.00 C ATOM 444 C LEU A 33 -6.302 -6.328 4.616 1.00 0.00 C ATOM 445 O LEU A 33 -5.618 -5.362 4.954 1.00 0.00 O ATOM 446 CB LEU A 33 -8.311 -7.499 5.540 1.00 0.00 C ATOM 447 CG LEU A 33 -9.728 -7.401 6.107 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.171 -8.742 6.670 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.800 -6.321 7.177 1.00 0.00 C ATOM 0 H LEU A 33 -9.297 -6.837 3.351 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.104 -5.377 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.258 -8.379 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.621 -7.665 6.367 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.405 -7.129 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.181 -8.653 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.158 -9.491 5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.492 -9.044 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.815 -6.265 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.111 -6.564 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.525 -5.360 6.743 1.00 0.00 H new ATOM 461 N CYS A 34 -5.781 -7.448 4.128 1.00 0.00 N ATOM 462 CA CYS A 34 -4.342 -7.613 3.957 1.00 0.00 C ATOM 463 C CYS A 34 -3.747 -6.431 3.196 1.00 0.00 C ATOM 464 O CYS A 34 -2.990 -5.636 3.755 1.00 0.00 O ATOM 465 CB CYS A 34 -4.041 -8.915 3.216 1.00 0.00 C ATOM 466 SG CYS A 34 -4.369 -10.418 4.191 1.00 0.00 S ATOM 0 H CYS A 34 -6.334 -8.256 3.843 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.885 -7.653 4.946 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.638 -8.948 2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.994 -8.914 2.911 1.00 0.00 H new ATOM 471 N LEU A 35 -4.095 -6.323 1.918 1.00 0.00 N ATOM 472 CA LEU A 35 -3.596 -5.239 1.079 1.00 0.00 C ATOM 473 C LEU A 35 -3.552 -3.925 1.854 1.00 0.00 C ATOM 474 O LEU A 35 -2.639 -3.118 1.679 1.00 0.00 O ATOM 475 CB LEU A 35 -4.475 -5.083 -0.163 1.00 0.00 C ATOM 476 CG LEU A 35 -4.018 -5.843 -1.408 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.154 -5.952 -2.414 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.811 -5.162 -2.037 1.00 0.00 C ATOM 0 H LEU A 35 -4.720 -6.972 1.441 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.582 -5.490 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.484 -5.410 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.535 -4.023 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.727 -6.850 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.810 -6.496 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.991 -6.485 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.477 -4.953 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.500 -5.717 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.075 -4.144 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.992 -5.137 -1.318 1.00 0.00 H new ATOM 490 N LYS A 36 -4.544 -3.719 2.713 1.00 0.00 N ATOM 491 CA LYS A 36 -4.620 -2.506 3.518 1.00 0.00 C ATOM 492 C LYS A 36 -3.452 -2.430 4.498 1.00 0.00 C ATOM 493 O LYS A 36 -2.565 -1.590 4.356 1.00 0.00 O ATOM 494 CB LYS A 36 -5.945 -2.457 4.282 1.00 0.00 C ATOM 495 CG LYS A 36 -6.213 -1.119 4.950 1.00 0.00 C ATOM 496 CD LYS A 36 -7.537 -1.124 5.696 1.00 0.00 C ATOM 497 CE LYS A 36 -8.713 -0.955 4.746 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.992 -0.745 5.478 1.00 0.00 N ATOM 0 H LYS A 36 -5.307 -4.377 2.870 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.565 -1.650 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.760 -2.680 3.593 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.946 -3.239 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.404 -0.889 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.221 -0.331 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.643 -2.060 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.544 -0.320 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.528 -0.107 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.798 -1.838 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.769 -0.634 4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.182 -1.566 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.921 0.112 6.063 1.00 0.00 H new ATOM 512 N GLN A 37 -3.462 -3.314 5.491 1.00 0.00 N ATOM 513 CA GLN A 37 -2.404 -3.347 6.493 1.00 0.00 C ATOM 514 C GLN A 37 -1.030 -3.386 5.832 1.00 0.00 C ATOM 515 O GLN A 37 -0.082 -2.759 6.308 1.00 0.00 O ATOM 516 CB GLN A 37 -2.577 -4.560 7.409 1.00 0.00 C ATOM 517 CG GLN A 37 -3.595 -4.344 8.517 1.00 0.00 C ATOM 518 CD GLN A 37 -4.317 -5.620 8.903 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.394 -5.919 8.385 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.726 -6.382 9.816 1.00 0.00 N ATOM 0 H GLN A 37 -4.190 -4.016 5.623 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.475 -2.438 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.881 -5.418 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.614 -4.809 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.091 -3.937 9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.325 -3.601 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.834 -6.096 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.164 -7.253 10.114 1.00 0.00 H new ATOM 529 N TYR A 38 -0.928 -4.127 4.736 1.00 0.00 N ATOM 530 CA TYR A 38 0.332 -4.251 4.011 1.00 0.00 C ATOM 531 C TYR A 38 0.883 -2.878 3.637 1.00 0.00 C ATOM 532 O TYR A 38 1.861 -2.409 4.219 1.00 0.00 O ATOM 533 CB TYR A 38 0.139 -5.095 2.751 1.00 0.00 C ATOM 534 CG TYR A 38 1.401 -5.263 1.935 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.522 -5.884 2.473 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.474 -4.799 0.627 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.678 -6.039 1.731 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.624 -4.951 -0.122 1.00 0.00 C ATOM 539 CZ TYR A 38 3.724 -5.572 0.434 1.00 0.00 C ATOM 540 OH TYR A 38 4.872 -5.723 -0.308 1.00 0.00 O ATOM 0 H TYR A 38 -1.702 -4.652 4.329 1.00 0.00 H new ATOM 0 HA TYR A 38 1.050 -4.745 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.233 -6.079 3.037 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.627 -4.633 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.489 -6.252 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.616 -4.311 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.541 -6.523 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.662 -4.586 -1.138 1.00 0.00 H new ATOM 0 HH TYR A 38 4.722 -5.384 -1.215 1.00 0.00 H new ATOM 550 N VAL A 39 0.246 -2.237 2.662 1.00 0.00 N ATOM 551 CA VAL A 39 0.669 -0.917 2.210 1.00 0.00 C ATOM 552 C VAL A 39 0.750 0.062 3.375 1.00 0.00 C ATOM 553 O VAL A 39 1.606 0.946 3.397 1.00 0.00 O ATOM 554 CB VAL A 39 -0.291 -0.354 1.145 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.521 -1.374 0.041 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.608 0.060 1.783 1.00 0.00 C ATOM 0 H VAL A 39 -0.565 -2.611 2.170 1.00 0.00 H new ATOM 0 HA VAL A 39 1.659 -1.035 1.769 1.00 0.00 H new ATOM 0 HB VAL A 39 0.165 0.530 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.202 -0.959 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.430 -1.617 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.956 -2.278 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.275 0.456 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.071 -0.806 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.423 0.828 2.534 1.00 0.00 H new ATOM 566 N GLU A 40 -0.148 -0.101 4.343 1.00 0.00 N ATOM 567 CA GLU A 40 -0.177 0.769 5.511 1.00 0.00 C ATOM 568 C GLU A 40 1.193 0.832 6.179 1.00 0.00 C ATOM 569 O GLU A 40 1.733 1.914 6.415 1.00 0.00 O ATOM 570 CB GLU A 40 -1.223 0.278 6.514 1.00 0.00 C ATOM 571 CG GLU A 40 -2.589 0.919 6.333 1.00 0.00 C ATOM 572 CD GLU A 40 -3.530 0.624 7.486 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.101 -0.058 8.440 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.692 1.076 7.434 1.00 0.00 O ATOM 0 H GLU A 40 -0.864 -0.827 4.340 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.445 1.772 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.323 -0.803 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.868 0.480 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.470 1.998 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.034 0.561 5.405 1.00 0.00 H new ATOM 581 N LEU A 41 1.752 -0.335 6.480 1.00 0.00 N ATOM 582 CA LEU A 41 3.059 -0.415 7.121 1.00 0.00 C ATOM 583 C LEU A 41 4.139 0.195 6.233 1.00 0.00 C ATOM 584 O LEU A 41 5.016 0.916 6.709 1.00 0.00 O ATOM 585 CB LEU A 41 3.406 -1.871 7.438 1.00 0.00 C ATOM 586 CG LEU A 41 3.022 -2.364 8.834 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.969 -1.795 9.880 1.00 0.00 C ATOM 588 CD2 LEU A 41 1.583 -1.989 9.154 1.00 0.00 C ATOM 0 H LEU A 41 1.320 -1.239 6.290 1.00 0.00 H new ATOM 0 HA LEU A 41 3.015 0.152 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.917 -2.509 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.480 -2.004 7.310 1.00 0.00 H new ATOM 0 HG LEU A 41 3.106 -3.451 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.681 -2.156 10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.988 -2.114 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.918 -0.706 9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.327 -2.348 10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.473 -0.905 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.917 -2.445 8.422 1.00 0.00 H new ATOM 600 N LEU A 42 4.068 -0.098 4.939 1.00 0.00 N ATOM 601 CA LEU A 42 5.038 0.425 3.982 1.00 0.00 C ATOM 602 C LEU A 42 5.044 1.950 3.990 1.00 0.00 C ATOM 603 O LEU A 42 6.095 2.575 4.130 1.00 0.00 O ATOM 604 CB LEU A 42 4.723 -0.089 2.576 1.00 0.00 C ATOM 605 CG LEU A 42 5.257 -1.481 2.235 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.219 -2.545 2.558 1.00 0.00 C ATOM 607 CD2 LEU A 42 5.657 -1.554 0.768 1.00 0.00 C ATOM 0 H LEU A 42 3.350 -0.694 4.528 1.00 0.00 H new ATOM 0 HA LEU A 42 6.028 0.076 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.641 -0.095 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.126 0.620 1.853 1.00 0.00 H new ATOM 0 HG LEU A 42 6.142 -1.668 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.617 -3.529 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.980 -2.509 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.316 -2.361 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.035 -2.551 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.789 -1.345 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.435 -0.817 0.566 1.00 0.00 H new ATOM 619 N ILE A 43 3.864 2.541 3.840 1.00 0.00 N ATOM 620 CA ILE A 43 3.734 3.993 3.833 1.00 0.00 C ATOM 621 C ILE A 43 4.243 4.597 5.138 1.00 0.00 C ATOM 622 O ILE A 43 4.977 5.585 5.133 1.00 0.00 O ATOM 623 CB ILE A 43 2.272 4.427 3.616 1.00 0.00 C ATOM 624 CG1 ILE A 43 1.762 3.918 2.265 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.151 5.940 3.698 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.262 4.029 2.106 1.00 0.00 C ATOM 0 H ILE A 43 2.985 2.038 3.722 1.00 0.00 H new ATOM 0 HA ILE A 43 4.340 4.360 3.004 1.00 0.00 H new ATOM 0 HB ILE A 43 1.658 3.990 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.247 4.481 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.056 2.875 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.112 6.231 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.480 6.279 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.775 6.397 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.029 3.650 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.230 3.443 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.037 5.073 2.195 1.00 0.00 H new ATOM 638 N LYS A 44 3.849 3.995 6.255 1.00 0.00 N ATOM 639 CA LYS A 44 4.267 4.471 7.569 1.00 0.00 C ATOM 640 C LYS A 44 5.786 4.439 7.701 1.00 0.00 C ATOM 641 O LYS A 44 6.383 5.327 8.308 1.00 0.00 O ATOM 642 CB LYS A 44 3.631 3.617 8.668 1.00 0.00 C ATOM 643 CG LYS A 44 2.160 3.915 8.895 1.00 0.00 C ATOM 644 CD LYS A 44 1.678 3.367 10.228 1.00 0.00 C ATOM 645 CE LYS A 44 0.476 4.140 10.748 1.00 0.00 C ATOM 646 NZ LYS A 44 0.879 5.411 11.410 1.00 0.00 N ATOM 0 H LYS A 44 3.241 3.176 6.277 1.00 0.00 H new ATOM 0 HA LYS A 44 3.932 5.503 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.744 2.564 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.173 3.776 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.997 4.992 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.571 3.480 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.415 2.315 10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.487 3.417 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.200 4.359 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.076 3.521 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.032 5.909 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.504 5.201 12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.383 6.013 10.728 1.00 0.00 H new ATOM 660 N GLU A 45 6.404 3.412 7.125 1.00 0.00 N ATOM 661 CA GLU A 45 7.855 3.267 7.180 1.00 0.00 C ATOM 662 C GLU A 45 8.545 4.453 6.513 1.00 0.00 C ATOM 663 O GLU A 45 9.228 5.239 7.170 1.00 0.00 O ATOM 664 CB GLU A 45 8.285 1.966 6.501 1.00 0.00 C ATOM 665 CG GLU A 45 9.632 1.447 6.976 1.00 0.00 C ATOM 666 CD GLU A 45 9.832 -0.025 6.672 1.00 0.00 C ATOM 667 OE1 GLU A 45 9.239 -0.863 7.383 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.581 -0.338 5.723 1.00 0.00 O ATOM 0 H GLU A 45 5.924 2.670 6.616 1.00 0.00 H new ATOM 0 HA GLU A 45 8.153 3.237 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.527 1.204 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.326 2.125 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.427 2.023 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.720 1.607 8.051 1.00 0.00 H new ATOM 675 N GLY A 46 8.363 4.577 5.202 1.00 0.00 N ATOM 676 CA GLY A 46 8.974 5.669 4.466 1.00 0.00 C ATOM 677 C GLY A 46 10.008 5.188 3.467 1.00 0.00 C ATOM 678 O GLY A 46 9.972 5.565 2.295 1.00 0.00 O ATOM 0 H GLY A 46 7.803 3.940 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.199 6.228 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.444 6.358 5.168 1.00 0.00 H new ATOM 682 N LEU A 47 10.933 4.354 3.930 1.00 0.00 N ATOM 683 CA LEU A 47 11.983 3.821 3.068 1.00 0.00 C ATOM 684 C LEU A 47 11.397 3.270 1.773 1.00 0.00 C ATOM 685 O LEU A 47 11.856 3.607 0.682 1.00 0.00 O ATOM 686 CB LEU A 47 12.760 2.724 3.798 1.00 0.00 C ATOM 687 CG LEU A 47 13.904 2.078 3.015 1.00 0.00 C ATOM 688 CD1 LEU A 47 15.091 3.026 2.926 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.316 0.764 3.660 1.00 0.00 C ATOM 0 H LEU A 47 10.977 4.032 4.897 1.00 0.00 H new ATOM 0 HA LEU A 47 12.663 4.635 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.168 3.145 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.059 1.942 4.089 1.00 0.00 H new ATOM 0 HG LEU A 47 13.555 1.869 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.896 2.550 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.788 3.942 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.441 3.266 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.131 0.318 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.647 0.948 4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.466 0.082 3.671 1.00 0.00 H new ATOM 701 N GLU A 48 10.380 2.424 1.902 1.00 0.00 N ATOM 702 CA GLU A 48 9.731 1.828 0.740 1.00 0.00 C ATOM 703 C GLU A 48 8.779 2.821 0.080 1.00 0.00 C ATOM 704 O GLU A 48 7.562 2.743 0.255 1.00 0.00 O ATOM 705 CB GLU A 48 8.968 0.566 1.146 1.00 0.00 C ATOM 706 CG GLU A 48 8.899 -0.484 0.049 1.00 0.00 C ATOM 707 CD GLU A 48 8.822 -1.896 0.596 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.202 -2.099 1.769 1.00 0.00 O ATOM 709 OE2 GLU A 48 8.382 -2.797 -0.147 1.00 0.00 O ATOM 0 H GLU A 48 9.988 2.136 2.799 1.00 0.00 H new ATOM 0 HA GLU A 48 10.505 1.560 0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.444 0.131 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.955 0.842 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.027 -0.293 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.777 -0.394 -0.591 1.00 0.00 H new ATOM 716 N THR A 49 9.341 3.755 -0.680 1.00 0.00 N ATOM 717 CA THR A 49 8.544 4.766 -1.366 1.00 0.00 C ATOM 718 C THR A 49 7.482 4.121 -2.249 1.00 0.00 C ATOM 719 O THR A 49 6.382 4.651 -2.401 1.00 0.00 O ATOM 720 CB THR A 49 9.426 5.686 -2.230 1.00 0.00 C ATOM 721 OG1 THR A 49 10.293 4.900 -3.055 1.00 0.00 O ATOM 722 CG2 THR A 49 10.255 6.616 -1.359 1.00 0.00 C ATOM 0 H THR A 49 10.346 3.833 -0.837 1.00 0.00 H new ATOM 0 HA THR A 49 8.058 5.363 -0.595 1.00 0.00 H new ATOM 0 HB THR A 49 8.773 6.290 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.849 5.492 -3.603 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.870 7.256 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.592 7.234 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.898 6.026 -0.706 1.00 0.00 H new ATOM 730 N ALA A 50 7.819 2.974 -2.830 1.00 0.00 N ATOM 731 CA ALA A 50 6.892 2.256 -3.696 1.00 0.00 C ATOM 732 C ALA A 50 6.166 1.155 -2.931 1.00 0.00 C ATOM 733 O ALA A 50 6.508 0.852 -1.788 1.00 0.00 O ATOM 734 CB ALA A 50 7.632 1.671 -4.890 1.00 0.00 C ATOM 0 H ALA A 50 8.727 2.522 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 50 6.146 2.965 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.928 1.137 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.099 2.475 -5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.399 0.981 -4.540 1.00 0.00 H new ATOM 740 N ILE A 51 5.162 0.561 -3.568 1.00 0.00 N ATOM 741 CA ILE A 51 4.388 -0.507 -2.946 1.00 0.00 C ATOM 742 C ILE A 51 4.463 -1.789 -3.767 1.00 0.00 C ATOM 743 O ILE A 51 3.600 -2.055 -4.602 1.00 0.00 O ATOM 744 CB ILE A 51 2.911 -0.105 -2.776 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.807 1.284 -2.142 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.176 -1.135 -1.932 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.197 1.311 -0.680 1.00 0.00 C ATOM 0 H ILE A 51 4.866 0.801 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 51 4.824 -0.682 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 51 2.444 -0.070 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.445 1.975 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.784 1.645 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.133 -0.837 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.225 -2.108 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.642 -1.199 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.099 2.326 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.543 0.646 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.230 0.980 -0.573 1.00 0.00 H new ATOM 759 N SER A 52 5.502 -2.582 -3.521 1.00 0.00 N ATOM 760 CA SER A 52 5.691 -3.837 -4.239 1.00 0.00 C ATOM 761 C SER A 52 4.572 -4.822 -3.917 1.00 0.00 C ATOM 762 O SER A 52 3.721 -4.557 -3.067 1.00 0.00 O ATOM 763 CB SER A 52 7.045 -4.453 -3.883 1.00 0.00 C ATOM 764 OG SER A 52 7.080 -4.860 -2.526 1.00 0.00 O ATOM 0 H SER A 52 6.225 -2.378 -2.831 1.00 0.00 H new ATOM 0 HA SER A 52 5.666 -3.623 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.239 -5.310 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.838 -3.728 -4.069 1.00 0.00 H new ATOM 0 HG SER A 52 7.955 -5.252 -2.324 1.00 0.00 H new ATOM 770 N CYS A 53 4.578 -5.960 -4.601 1.00 0.00 N ATOM 771 CA CYS A 53 3.564 -6.987 -4.390 1.00 0.00 C ATOM 772 C CYS A 53 3.714 -7.623 -3.011 1.00 0.00 C ATOM 773 O CYS A 53 4.815 -7.934 -2.559 1.00 0.00 O ATOM 774 CB CYS A 53 3.664 -8.062 -5.473 1.00 0.00 C ATOM 775 SG CYS A 53 2.473 -9.428 -5.277 1.00 0.00 S ATOM 0 H CYS A 53 5.275 -6.195 -5.308 1.00 0.00 H new ATOM 0 HA CYS A 53 2.584 -6.513 -4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.510 -7.597 -6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.674 -8.472 -5.471 1.00 0.00 H new ATOM 780 N PRO A 54 2.577 -7.820 -2.325 1.00 0.00 N ATOM 781 CA PRO A 54 2.555 -8.421 -0.988 1.00 0.00 C ATOM 782 C PRO A 54 2.912 -9.903 -1.011 1.00 0.00 C ATOM 783 O PRO A 54 2.855 -10.582 0.014 1.00 0.00 O ATOM 784 CB PRO A 54 1.105 -8.228 -0.537 1.00 0.00 C ATOM 785 CG PRO A 54 0.323 -8.138 -1.802 1.00 0.00 C ATOM 786 CD PRO A 54 1.228 -7.472 -2.802 1.00 0.00 C ATOM 0 HA PRO A 54 3.288 -7.963 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.768 -9.062 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.994 -7.324 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.022 -9.128 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.590 -7.560 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.051 -7.841 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.076 -6.393 -2.826 1.00 0.00 H new ATOM 794 N ASP A 55 3.281 -10.398 -2.188 1.00 0.00 N ATOM 795 CA ASP A 55 3.650 -11.800 -2.345 1.00 0.00 C ATOM 796 C ASP A 55 5.163 -11.953 -2.472 1.00 0.00 C ATOM 797 O ASP A 55 5.859 -11.023 -2.877 1.00 0.00 O ATOM 798 CB ASP A 55 2.961 -12.396 -3.574 1.00 0.00 C ATOM 799 CG ASP A 55 3.075 -13.907 -3.625 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.531 -14.575 -2.721 1.00 0.00 O ATOM 801 OD2 ASP A 55 3.710 -14.421 -4.570 1.00 0.00 O ATOM 0 H ASP A 55 3.332 -9.849 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 55 3.321 -12.338 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.908 -12.114 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.401 -11.971 -4.476 1.00 0.00 H new ATOM 806 N ALA A 56 5.665 -13.133 -2.120 1.00 0.00 N ATOM 807 CA ALA A 56 7.094 -13.408 -2.194 1.00 0.00 C ATOM 808 C ALA A 56 7.425 -14.268 -3.409 1.00 0.00 C ATOM 809 O ALA A 56 8.482 -14.117 -4.020 1.00 0.00 O ATOM 810 CB ALA A 56 7.568 -14.088 -0.918 1.00 0.00 C ATOM 0 H ALA A 56 5.102 -13.913 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 56 7.617 -12.458 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.637 -14.287 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.375 -13.437 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.032 -15.028 -0.786 1.00 0.00 H new ATOM 816 N ALA A 57 6.514 -15.172 -3.753 1.00 0.00 N ATOM 817 CA ALA A 57 6.709 -16.056 -4.897 1.00 0.00 C ATOM 818 C ALA A 57 5.981 -15.530 -6.128 1.00 0.00 C ATOM 819 O ALA A 57 5.346 -16.290 -6.860 1.00 0.00 O ATOM 820 CB ALA A 57 6.235 -17.463 -4.562 1.00 0.00 C ATOM 0 H ALA A 57 5.634 -15.312 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 57 7.775 -16.087 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.386 -18.113 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.803 -17.846 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.176 -17.439 -4.307 1.00 0.00 H new ATOM 826 N CYS A 58 6.077 -14.223 -6.353 1.00 0.00 N ATOM 827 CA CYS A 58 5.426 -13.593 -7.496 1.00 0.00 C ATOM 828 C CYS A 58 6.391 -13.473 -8.672 1.00 0.00 C ATOM 829 O CYS A 58 7.289 -12.631 -8.687 1.00 0.00 O ATOM 830 CB CYS A 58 4.899 -12.210 -7.111 1.00 0.00 C ATOM 831 SG CYS A 58 3.958 -11.379 -8.431 1.00 0.00 S ATOM 0 H CYS A 58 6.600 -13.580 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 58 4.588 -14.222 -7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.262 -12.307 -6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.741 -11.578 -6.827 1.00 0.00 H new ATOM 836 N PRO A 59 6.201 -14.334 -9.683 1.00 0.00 N ATOM 837 CA PRO A 59 7.043 -14.344 -10.883 1.00 0.00 C ATOM 838 C PRO A 59 6.819 -13.116 -11.758 1.00 0.00 C ATOM 839 O PRO A 59 7.417 -12.986 -12.827 1.00 0.00 O ATOM 840 CB PRO A 59 6.600 -15.612 -11.617 1.00 0.00 C ATOM 841 CG PRO A 59 5.203 -15.849 -11.155 1.00 0.00 C ATOM 842 CD PRO A 59 5.150 -15.365 -9.732 1.00 0.00 C ATOM 0 HA PRO A 59 8.105 -14.327 -10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.642 -15.479 -12.698 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.246 -16.456 -11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.489 -15.310 -11.778 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.945 -16.906 -11.218 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.172 -14.954 -9.484 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.345 -16.172 -9.026 1.00 0.00 H new ATOM 850 N LYS A 60 5.957 -12.217 -11.299 1.00 0.00 N ATOM 851 CA LYS A 60 5.655 -10.997 -12.038 1.00 0.00 C ATOM 852 C LYS A 60 6.310 -9.786 -11.381 1.00 0.00 C ATOM 853 O LYS A 60 6.635 -8.806 -12.051 1.00 0.00 O ATOM 854 CB LYS A 60 4.141 -10.788 -12.122 1.00 0.00 C ATOM 855 CG LYS A 60 3.500 -11.461 -13.324 1.00 0.00 C ATOM 856 CD LYS A 60 3.816 -10.719 -14.612 1.00 0.00 C ATOM 857 CE LYS A 60 3.010 -9.434 -14.727 1.00 0.00 C ATOM 858 NZ LYS A 60 3.441 -8.613 -15.892 1.00 0.00 N ATOM 0 H LYS A 60 5.454 -12.310 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 60 6.057 -11.104 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.679 -11.171 -11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.932 -9.719 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.855 -12.489 -13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.420 -11.506 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.880 -10.487 -14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.601 -11.362 -15.466 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.952 -9.676 -14.825 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.121 -8.852 -13.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.868 -7.746 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.444 -8.360 -15.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.312 -9.159 -16.768 1.00 0.00 H new ATOM 872 N GLN A 61 6.503 -9.862 -10.069 1.00 0.00 N ATOM 873 CA GLN A 61 7.120 -8.772 -9.323 1.00 0.00 C ATOM 874 C GLN A 61 6.484 -7.434 -9.688 1.00 0.00 C ATOM 875 O GLN A 61 7.177 -6.486 -10.054 1.00 0.00 O ATOM 876 CB GLN A 61 8.625 -8.727 -9.597 1.00 0.00 C ATOM 877 CG GLN A 61 9.394 -9.871 -8.958 1.00 0.00 C ATOM 878 CD GLN A 61 10.889 -9.623 -8.927 1.00 0.00 C ATOM 879 OE1 GLN A 61 11.379 -8.638 -9.480 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.625 -10.517 -8.276 1.00 0.00 N ATOM 0 H GLN A 61 6.241 -10.667 -9.500 1.00 0.00 H new ATOM 0 HA GLN A 61 6.956 -8.953 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.790 -8.746 -10.674 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.025 -7.782 -9.230 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.033 -10.023 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.193 -10.791 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.178 -11.319 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.637 -10.401 -8.220 1.00 0.00 H new ATOM 889 N GLY A 62 5.160 -7.367 -9.584 1.00 0.00 N ATOM 890 CA GLY A 62 4.453 -6.141 -9.906 1.00 0.00 C ATOM 891 C GLY A 62 4.148 -5.307 -8.678 1.00 0.00 C ATOM 892 O GLY A 62 4.088 -5.828 -7.564 1.00 0.00 O ATOM 0 H GLY A 62 4.565 -8.139 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.051 -5.552 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.521 -6.386 -10.415 1.00 0.00 H new ATOM 896 N HIS A 63 3.959 -4.006 -8.880 1.00 0.00 N ATOM 897 CA HIS A 63 3.661 -3.098 -7.779 1.00 0.00 C ATOM 898 C HIS A 63 2.186 -2.706 -7.783 1.00 0.00 C ATOM 899 O HIS A 63 1.432 -3.089 -8.679 1.00 0.00 O ATOM 900 CB HIS A 63 4.534 -1.847 -7.872 1.00 0.00 C ATOM 901 CG HIS A 63 5.975 -2.141 -8.154 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.455 -2.407 -9.419 1.00 0.00 N ATOM 903 CD2 HIS A 63 7.043 -2.208 -7.326 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.756 -2.627 -9.356 1.00 0.00 C ATOM 905 NE2 HIS A 63 8.138 -2.511 -8.097 1.00 0.00 N ATOM 0 H HIS A 63 4.007 -3.558 -9.795 1.00 0.00 H new ATOM 0 HA HIS A 63 3.879 -3.615 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.144 -1.199 -8.657 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.461 -1.293 -6.936 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.036 -2.052 -6.257 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.398 -2.862 -10.192 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.091 -2.628 -7.753 1.00 0.00 H new ATOM 913 N LEU A 64 1.780 -1.941 -6.776 1.00 0.00 N ATOM 914 CA LEU A 64 0.395 -1.497 -6.661 1.00 0.00 C ATOM 915 C LEU A 64 0.182 -0.180 -7.402 1.00 0.00 C ATOM 916 O LEU A 64 1.100 0.631 -7.520 1.00 0.00 O ATOM 917 CB LEU A 64 0.009 -1.336 -5.190 1.00 0.00 C ATOM 918 CG LEU A 64 -0.580 -2.573 -4.511 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.906 -2.953 -5.153 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.399 -3.736 -4.579 1.00 0.00 C ATOM 0 H LEU A 64 2.390 -1.615 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.242 -2.256 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.895 -1.028 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.714 -0.524 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.761 -2.337 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.311 -3.835 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.609 -2.126 -5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.750 -3.170 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.037 -4.608 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.611 -3.972 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.325 -3.462 -4.073 1.00 0.00 H new ATOM 932 N GLN A 65 -1.034 0.026 -7.895 1.00 0.00 N ATOM 933 CA GLN A 65 -1.366 1.245 -8.623 1.00 0.00 C ATOM 934 C GLN A 65 -1.642 2.395 -7.659 1.00 0.00 C ATOM 935 O GLN A 65 -1.784 2.187 -6.455 1.00 0.00 O ATOM 936 CB GLN A 65 -2.583 1.013 -9.520 1.00 0.00 C ATOM 937 CG GLN A 65 -2.423 -0.161 -10.473 1.00 0.00 C ATOM 938 CD GLN A 65 -1.068 -0.178 -11.153 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.031 -0.274 -10.497 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.071 -0.085 -12.478 1.00 0.00 N ATOM 0 H GLN A 65 -1.806 -0.635 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.511 1.512 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.459 0.844 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.774 1.916 -10.099 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.562 -1.092 -9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.205 -0.119 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.954 -0.007 -12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.190 -0.092 -12.992 1.00 0.00 H new ATOM 949 N GLU A 66 -1.716 3.608 -8.200 1.00 0.00 N ATOM 950 CA GLU A 66 -1.972 4.791 -7.386 1.00 0.00 C ATOM 951 C GLU A 66 -3.430 4.834 -6.934 1.00 0.00 C ATOM 952 O GLU A 66 -3.721 5.097 -5.768 1.00 0.00 O ATOM 953 CB GLU A 66 -1.633 6.060 -8.170 1.00 0.00 C ATOM 954 CG GLU A 66 -1.720 7.330 -7.341 1.00 0.00 C ATOM 955 CD GLU A 66 -1.191 8.545 -8.077 1.00 0.00 C ATOM 956 OE1 GLU A 66 -1.848 8.986 -9.043 1.00 0.00 O ATOM 957 OE2 GLU A 66 -0.119 9.055 -7.686 1.00 0.00 O ATOM 0 H GLU A 66 -1.603 3.797 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.336 4.738 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.625 5.969 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.311 6.144 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.758 7.505 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.157 7.196 -6.417 1.00 0.00 H new ATOM 964 N ASN A 67 -4.340 4.573 -7.866 1.00 0.00 N ATOM 965 CA ASN A 67 -5.767 4.584 -7.566 1.00 0.00 C ATOM 966 C ASN A 67 -6.098 3.580 -6.465 1.00 0.00 C ATOM 967 O ASN A 67 -6.920 3.852 -5.591 1.00 0.00 O ATOM 968 CB ASN A 67 -6.577 4.264 -8.824 1.00 0.00 C ATOM 969 CG ASN A 67 -6.625 2.777 -9.118 1.00 0.00 C ATOM 970 OD1 ASN A 67 -5.599 2.153 -9.391 1.00 0.00 O ATOM 971 ND2 ASN A 67 -7.821 2.202 -9.064 1.00 0.00 N ATOM 0 H ASN A 67 -4.115 4.351 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.032 5.582 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.593 4.641 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.141 4.786 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.916 1.204 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.644 2.758 -8.834 1.00 0.00 H new ATOM 978 N GLU A 68 -5.452 2.419 -6.516 1.00 0.00 N ATOM 979 CA GLU A 68 -5.678 1.375 -5.524 1.00 0.00 C ATOM 980 C GLU A 68 -5.410 1.896 -4.115 1.00 0.00 C ATOM 981 O GLU A 68 -6.284 1.851 -3.249 1.00 0.00 O ATOM 982 CB GLU A 68 -4.785 0.166 -5.810 1.00 0.00 C ATOM 983 CG GLU A 68 -5.184 -0.603 -7.059 1.00 0.00 C ATOM 984 CD GLU A 68 -4.349 -1.852 -7.266 1.00 0.00 C ATOM 985 OE1 GLU A 68 -3.238 -1.737 -7.825 1.00 0.00 O ATOM 986 OE2 GLU A 68 -4.808 -2.944 -6.870 1.00 0.00 O ATOM 0 H GLU A 68 -4.768 2.178 -7.234 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.722 1.070 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.754 0.503 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.815 -0.508 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.236 -0.881 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.082 0.046 -7.929 1.00 0.00 H new ATOM 993 N ILE A 69 -4.197 2.391 -3.895 1.00 0.00 N ATOM 994 CA ILE A 69 -3.814 2.920 -2.592 1.00 0.00 C ATOM 995 C ILE A 69 -4.790 3.997 -2.127 1.00 0.00 C ATOM 996 O ILE A 69 -5.234 3.990 -0.980 1.00 0.00 O ATOM 997 CB ILE A 69 -2.392 3.512 -2.621 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.399 2.483 -3.165 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.980 3.968 -1.229 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.229 3.101 -3.899 1.00 0.00 C ATOM 0 H ILE A 69 -3.463 2.437 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.838 2.084 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.388 4.378 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.022 1.882 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.923 1.805 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.973 4.384 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.675 4.730 -0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.997 3.117 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.433 2.313 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.596 3.679 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.319 3.757 -3.223 1.00 0.00 H new ATOM 1012 N GLU A 70 -5.120 4.916 -3.028 1.00 0.00 N ATOM 1013 CA GLU A 70 -6.045 5.998 -2.710 1.00 0.00 C ATOM 1014 C GLU A 70 -7.175 5.501 -1.811 1.00 0.00 C ATOM 1015 O GLU A 70 -7.324 5.954 -0.676 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.624 6.597 -3.992 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.171 8.004 -3.814 1.00 0.00 C ATOM 1018 CD GLU A 70 -8.470 8.031 -3.033 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -9.469 7.464 -3.525 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -8.489 8.617 -1.931 1.00 0.00 O ATOM 0 H GLU A 70 -4.762 4.934 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.491 6.770 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.849 6.612 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.421 5.950 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.430 8.616 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.331 8.454 -4.794 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.966 4.569 -2.329 1.00 0.00 N ATOM 1028 CA CYS A 71 -9.084 4.012 -1.576 1.00 0.00 C ATOM 1029 C CYS A 71 -8.589 3.043 -0.507 1.00 0.00 C ATOM 1030 O CYS A 71 -9.137 2.984 0.593 1.00 0.00 O ATOM 1031 CB CYS A 71 -10.055 3.298 -2.517 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.623 2.831 -1.746 1.00 0.00 S ATOM 0 H CYS A 71 -7.854 4.183 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.604 4.834 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -10.260 3.946 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.573 2.401 -2.907 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.377 2.236 -2.622 1.00 0.00 H new ATOM 1038 N MET A 72 -7.551 2.282 -0.840 1.00 0.00 N ATOM 1039 CA MET A 72 -6.983 1.314 0.092 1.00 0.00 C ATOM 1040 C MET A 72 -6.807 1.931 1.476 1.00 0.00 C ATOM 1041 O MET A 72 -7.368 1.445 2.458 1.00 0.00 O ATOM 1042 CB MET A 72 -5.637 0.805 -0.427 1.00 0.00 C ATOM 1043 CG MET A 72 -5.198 -0.505 0.207 1.00 0.00 C ATOM 1044 SD MET A 72 -3.780 -1.241 -0.630 1.00 0.00 S ATOM 1045 CE MET A 72 -4.562 -1.909 -2.097 1.00 0.00 C ATOM 0 H MET A 72 -7.086 2.317 -1.747 1.00 0.00 H new ATOM 0 HA MET A 72 -7.674 0.475 0.173 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.699 0.674 -1.507 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.875 1.562 -0.242 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.947 -0.332 1.254 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.030 -1.209 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.797 -2.255 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 72 -5.204 -2.745 -1.819 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.162 -1.134 -2.574 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.025 3.004 1.547 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.777 3.687 2.810 1.00 0.00 C ATOM 1057 C VAL A 73 -6.600 4.967 2.915 1.00 0.00 C ATOM 1058 O VAL A 73 -7.224 5.396 1.945 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.286 4.033 2.977 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.421 2.805 2.738 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.893 5.163 2.037 1.00 0.00 C ATOM 0 H VAL A 73 -5.552 3.419 0.744 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.075 3.002 3.604 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.122 4.368 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.371 3.070 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.685 2.028 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.586 2.435 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.836 5.395 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.072 4.858 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.489 6.047 2.262 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.595 5.571 4.098 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.339 6.804 4.328 1.00 0.00 C ATOM 1073 C ALA A 74 -6.485 8.028 4.011 1.00 0.00 C ATOM 1074 O ALA A 74 -5.288 7.910 3.751 1.00 0.00 O ATOM 1075 CB ALA A 74 -7.832 6.861 5.766 1.00 0.00 C ATOM 0 H ALA A 74 -6.085 5.228 4.912 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.200 6.811 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.386 7.786 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.484 6.010 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.980 6.828 6.444 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.109 9.200 4.034 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.406 10.445 3.750 1.00 0.00 C ATOM 1083 C ALA A 75 -5.161 10.584 4.619 1.00 0.00 C ATOM 1084 O ALA A 75 -4.081 10.900 4.124 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.333 11.634 3.960 1.00 0.00 C ATOM 0 H ALA A 75 -8.100 9.314 4.246 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.089 10.424 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.795 12.557 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.190 11.549 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.678 11.648 4.994 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.321 10.343 5.917 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.208 10.442 6.854 1.00 0.00 C ATOM 1093 C GLU A 76 -2.971 9.736 6.308 1.00 0.00 C ATOM 1094 O GLU A 76 -1.883 10.310 6.265 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.597 9.842 8.207 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.049 8.394 8.123 1.00 0.00 C ATOM 1097 CD GLU A 76 -5.898 7.978 9.308 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -6.651 8.828 9.825 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -5.807 6.802 9.719 1.00 0.00 O ATOM 0 H GLU A 76 -6.209 10.078 6.343 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.972 11.498 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.745 9.909 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.398 10.439 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.617 8.247 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.174 7.747 8.063 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.147 8.487 5.891 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.046 7.701 5.347 1.00 0.00 C ATOM 1108 C ILE A 77 -1.640 8.207 3.967 1.00 0.00 C ATOM 1109 O ILE A 77 -0.497 8.612 3.755 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.415 6.209 5.247 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -2.696 5.636 6.636 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.299 5.433 4.563 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -1.542 5.799 7.602 1.00 0.00 C ATOM 0 H ILE A 77 -4.041 7.997 5.919 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.207 7.814 6.034 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.319 6.113 4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.578 6.125 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.934 4.576 6.542 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.574 4.380 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.143 5.829 3.559 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.379 5.534 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.812 5.370 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.664 5.286 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.318 6.859 7.726 1.00 0.00 H new ATOM 1125 N MET A 78 -2.585 8.183 3.032 1.00 0.00 N ATOM 1126 CA MET A 78 -2.325 8.642 1.672 1.00 0.00 C ATOM 1127 C MET A 78 -1.383 9.842 1.674 1.00 0.00 C ATOM 1128 O MET A 78 -0.381 9.856 0.960 1.00 0.00 O ATOM 1129 CB MET A 78 -3.637 9.010 0.976 1.00 0.00 C ATOM 1130 CG MET A 78 -3.525 9.069 -0.538 1.00 0.00 C ATOM 1131 SD MET A 78 -3.123 7.470 -1.268 1.00 0.00 S ATOM 1132 CE MET A 78 -2.434 7.980 -2.842 1.00 0.00 C ATOM 0 H MET A 78 -3.536 7.851 3.191 1.00 0.00 H new ATOM 0 HA MET A 78 -1.848 7.829 1.125 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.400 8.281 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.976 9.978 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.466 9.428 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.758 9.793 -0.814 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.137 7.099 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.183 8.539 -3.403 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.563 8.612 -2.670 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.713 10.846 2.481 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.896 12.050 2.574 1.00 0.00 C ATOM 1144 C GLN A 79 0.580 11.697 2.721 1.00 0.00 C ATOM 1145 O GLN A 79 1.433 12.249 2.026 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.348 12.909 3.755 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.956 14.372 3.630 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.457 15.212 4.788 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -1.116 14.961 5.944 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.270 16.217 4.484 1.00 0.00 N ATOM 0 H GLN A 79 -2.539 10.849 3.079 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.024 12.617 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.432 12.839 3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.920 12.504 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.130 14.450 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.354 14.772 2.697 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.527 16.389 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.638 16.817 5.223 1.00 0.00 H new ATOM 1159 N ARG A 80 0.874 10.774 3.631 1.00 0.00 N ATOM 1160 CA ARG A 80 2.247 10.348 3.872 1.00 0.00 C ATOM 1161 C ARG A 80 2.868 9.772 2.603 1.00 0.00 C ATOM 1162 O ARG A 80 3.983 10.131 2.226 1.00 0.00 O ATOM 1163 CB ARG A 80 2.293 9.308 4.993 1.00 0.00 C ATOM 1164 CG ARG A 80 1.642 9.777 6.285 1.00 0.00 C ATOM 1165 CD ARG A 80 1.949 8.833 7.436 1.00 0.00 C ATOM 1166 NE ARG A 80 3.220 9.152 8.082 1.00 0.00 N ATOM 1167 CZ ARG A 80 4.383 8.624 7.715 1.00 0.00 C ATOM 1168 NH1 ARG A 80 4.435 7.757 6.712 1.00 0.00 N ATOM 1169 NH2 ARG A 80 5.496 8.964 8.351 1.00 0.00 N ATOM 0 H ARG A 80 0.179 10.307 4.214 1.00 0.00 H new ATOM 0 HA ARG A 80 2.824 11.222 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.796 8.399 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.332 9.047 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.996 10.778 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.563 9.845 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.146 8.885 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.978 7.808 7.066 1.00 0.00 H new ATOM 0 HE ARG A 80 3.214 9.816 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.581 7.494 6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.329 7.353 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.459 9.631 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.389 8.559 8.069 1.00 0.00 H new ATOM 1183 N TYR A 81 2.137 8.875 1.948 1.00 0.00 N ATOM 1184 CA TYR A 81 2.617 8.246 0.724 1.00 0.00 C ATOM 1185 C TYR A 81 2.824 9.282 -0.376 1.00 0.00 C ATOM 1186 O TYR A 81 3.688 9.125 -1.240 1.00 0.00 O ATOM 1187 CB TYR A 81 1.629 7.177 0.254 1.00 0.00 C ATOM 1188 CG TYR A 81 2.103 6.403 -0.954 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.109 5.451 -0.843 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.547 6.623 -2.209 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.547 4.742 -1.944 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.978 5.917 -3.315 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.977 4.978 -3.178 1.00 0.00 C ATOM 1194 OH TYR A 81 3.410 4.273 -4.278 1.00 0.00 O ATOM 0 H TYR A 81 1.211 8.568 2.245 1.00 0.00 H new ATOM 0 HA TYR A 81 3.576 7.775 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.444 6.480 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.677 7.653 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.556 5.262 0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.764 7.359 -2.321 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.331 4.007 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.534 6.100 -4.282 1.00 0.00 H new ATOM 0 HH TYR A 81 2.906 4.558 -5.069 1.00 0.00 H new ATOM 1204 N LYS A 82 2.026 10.343 -0.337 1.00 0.00 N ATOM 1205 CA LYS A 82 2.120 11.409 -1.329 1.00 0.00 C ATOM 1206 C LYS A 82 3.460 12.131 -1.226 1.00 0.00 C ATOM 1207 O LYS A 82 4.127 12.372 -2.232 1.00 0.00 O ATOM 1208 CB LYS A 82 0.975 12.407 -1.145 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.365 11.896 -1.643 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.314 13.038 -1.965 1.00 0.00 C ATOM 1211 CE LYS A 82 -1.136 13.524 -3.395 1.00 0.00 C ATOM 1212 NZ LYS A 82 -0.084 14.573 -3.497 1.00 0.00 N ATOM 0 H LYS A 82 1.306 10.488 0.371 1.00 0.00 H new ATOM 0 HA LYS A 82 2.045 10.958 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.889 12.657 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.221 13.329 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.214 11.285 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.813 11.252 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.343 12.710 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.139 13.863 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.872 12.682 -4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.082 13.921 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.319 15.227 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.032 15.100 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.835 14.126 -3.689 1.00 0.00 H new ATOM 1226 N LYS A 83 3.850 12.472 -0.002 1.00 0.00 N ATOM 1227 CA LYS A 83 5.111 13.164 0.234 1.00 0.00 C ATOM 1228 C LYS A 83 6.294 12.223 0.030 1.00 0.00 C ATOM 1229 O LYS A 83 7.384 12.654 -0.349 1.00 0.00 O ATOM 1230 CB LYS A 83 5.143 13.739 1.652 1.00 0.00 C ATOM 1231 CG LYS A 83 5.215 12.680 2.737 1.00 0.00 C ATOM 1232 CD LYS A 83 5.961 13.184 3.961 1.00 0.00 C ATOM 1233 CE LYS A 83 5.601 12.384 5.203 1.00 0.00 C ATOM 1234 NZ LYS A 83 4.441 12.976 5.927 1.00 0.00 N ATOM 0 H LYS A 83 3.310 12.280 0.842 1.00 0.00 H new ATOM 0 HA LYS A 83 5.189 13.980 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.003 14.403 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.252 14.347 1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.206 12.381 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.712 11.792 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.035 13.121 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.726 14.236 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.367 11.358 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.462 12.341 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.227 12.402 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.673 13.946 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.612 12.993 5.299 1.00 0.00 H new ATOM 1248 N LEU A 84 6.072 10.938 0.279 1.00 0.00 N ATOM 1249 CA LEU A 84 7.120 9.935 0.120 1.00 0.00 C ATOM 1250 C LEU A 84 7.510 9.783 -1.347 1.00 0.00 C ATOM 1251 O LEU A 84 8.693 9.782 -1.686 1.00 0.00 O ATOM 1252 CB LEU A 84 6.654 8.589 0.679 1.00 0.00 C ATOM 1253 CG LEU A 84 6.843 8.383 2.182 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.379 6.995 2.593 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.299 8.598 2.569 1.00 0.00 C ATOM 0 H LEU A 84 5.176 10.565 0.592 1.00 0.00 H new ATOM 0 HA LEU A 84 7.996 10.268 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.596 8.469 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.188 7.796 0.154 1.00 0.00 H new ATOM 0 HG LEU A 84 6.235 9.117 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.521 6.867 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.323 6.878 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.960 6.244 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.416 8.448 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.927 7.887 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.598 9.614 2.310 1.00 0.00 H new ATOM 1267 N GLN A 85 6.508 9.656 -2.210 1.00 0.00 N ATOM 1268 CA GLN A 85 6.748 9.505 -3.640 1.00 0.00 C ATOM 1269 C GLN A 85 7.322 10.786 -4.235 1.00 0.00 C ATOM 1270 O GLN A 85 8.283 10.750 -5.004 1.00 0.00 O ATOM 1271 CB GLN A 85 5.450 9.132 -4.360 1.00 0.00 C ATOM 1272 CG GLN A 85 4.938 7.743 -4.011 1.00 0.00 C ATOM 1273 CD GLN A 85 5.828 6.642 -4.552 1.00 0.00 C ATOM 1274 OE1 GLN A 85 6.946 6.442 -4.078 1.00 0.00 O ATOM 1275 NE2 GLN A 85 5.335 5.919 -5.551 1.00 0.00 N ATOM 0 H GLN A 85 5.523 9.655 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 85 7.475 8.705 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.683 9.866 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.611 9.191 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.866 7.648 -2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.931 7.620 -4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.403 6.119 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.888 5.164 -5.955 1.00 0.00 H new ATOM 1284 N PHE A 86 6.727 11.919 -3.873 1.00 0.00 N ATOM 1285 CA PHE A 86 7.180 13.213 -4.371 1.00 0.00 C ATOM 1286 C PHE A 86 8.699 13.324 -4.295 1.00 0.00 C ATOM 1287 O PHE A 86 9.341 13.834 -5.213 1.00 0.00 O ATOM 1288 CB PHE A 86 6.534 14.346 -3.572 1.00 0.00 C ATOM 1289 CG PHE A 86 7.354 15.603 -3.542 1.00 0.00 C ATOM 1290 CD1 PHE A 86 7.241 16.543 -4.554 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.240 15.844 -2.504 1.00 0.00 C ATOM 1292 CE1 PHE A 86 7.995 17.702 -4.529 1.00 0.00 C ATOM 1293 CE2 PHE A 86 8.996 17.000 -2.474 1.00 0.00 C ATOM 1294 CZ PHE A 86 8.874 17.930 -3.489 1.00 0.00 C ATOM 0 H PHE A 86 5.931 11.967 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 86 6.879 13.297 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.557 14.570 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.365 14.008 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.557 16.369 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.341 15.120 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.896 18.428 -5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.681 17.177 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 86 9.465 18.834 -3.469 1.00 0.00 H new ATOM 1304 N GLU A 87 9.268 12.843 -3.194 1.00 0.00 N ATOM 1305 CA GLU A 87 10.712 12.890 -2.997 1.00 0.00 C ATOM 1306 C GLU A 87 11.443 12.268 -4.183 1.00 0.00 C ATOM 1307 O GLU A 87 12.376 12.857 -4.729 1.00 0.00 O ATOM 1308 CB GLU A 87 11.097 12.162 -1.708 1.00 0.00 C ATOM 1309 CG GLU A 87 10.849 12.978 -0.450 1.00 0.00 C ATOM 1310 CD GLU A 87 11.732 12.550 0.706 1.00 0.00 C ATOM 1311 OE1 GLU A 87 11.690 11.359 1.076 1.00 0.00 O ATOM 1312 OE2 GLU A 87 12.465 13.409 1.242 1.00 0.00 O ATOM 0 H GLU A 87 8.751 12.416 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 87 11.008 13.936 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.533 11.231 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.152 11.893 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.024 14.032 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.803 12.881 -0.159 1.00 0.00 H new ATOM 1319 N ARG A 88 11.013 11.073 -4.575 1.00 0.00 N ATOM 1320 CA ARG A 88 11.627 10.370 -5.696 1.00 0.00 C ATOM 1321 C ARG A 88 10.880 10.658 -6.994 1.00 0.00 C ATOM 1322 O ARG A 88 10.934 9.873 -7.941 1.00 0.00 O ATOM 1323 CB ARG A 88 11.647 8.864 -5.430 1.00 0.00 C ATOM 1324 CG ARG A 88 10.268 8.267 -5.205 1.00 0.00 C ATOM 1325 CD ARG A 88 9.651 7.782 -6.508 1.00 0.00 C ATOM 1326 NE ARG A 88 10.592 6.993 -7.299 1.00 0.00 N ATOM 1327 CZ ARG A 88 10.385 6.656 -8.567 1.00 0.00 C ATOM 1328 NH1 ARG A 88 9.276 7.038 -9.184 1.00 0.00 N ATOM 1329 NH2 ARG A 88 11.289 5.937 -9.219 1.00 0.00 N ATOM 0 H ARG A 88 10.242 10.571 -4.133 1.00 0.00 H new ATOM 0 HA ARG A 88 12.651 10.728 -5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.118 8.361 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.266 8.666 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.340 7.436 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.617 9.013 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.768 7.181 -6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.316 8.639 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 88 11.456 6.684 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.580 7.592 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.119 6.778 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.144 5.643 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.129 5.679 -10.193 1.00 0.00 H new ATOM 1343 N SER A 89 10.182 11.790 -7.031 1.00 0.00 N ATOM 1344 CA SER A 89 9.420 12.179 -8.211 1.00 0.00 C ATOM 1345 C SER A 89 9.648 13.651 -8.543 1.00 0.00 C ATOM 1346 O SER A 89 9.299 14.536 -7.763 1.00 0.00 O ATOM 1347 CB SER A 89 7.929 11.919 -7.991 1.00 0.00 C ATOM 1348 OG SER A 89 7.654 10.529 -7.951 1.00 0.00 O ATOM 0 H SER A 89 10.129 12.453 -6.257 1.00 0.00 H new ATOM 0 HA SER A 89 9.766 11.577 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.610 12.383 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.354 12.384 -8.792 1.00 0.00 H new ATOM 0 HG SER A 89 7.770 10.199 -7.036 1.00 0.00 H new ATOM 1354 N GLY A 90 10.237 13.905 -9.708 1.00 0.00 N ATOM 1355 CA GLY A 90 10.502 15.270 -10.124 1.00 0.00 C ATOM 1356 C GLY A 90 11.240 15.340 -11.445 1.00 0.00 C ATOM 1357 O GLY A 90 11.741 14.338 -11.956 1.00 0.00 O ATOM 0 H GLY A 90 10.535 13.190 -10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.559 15.810 -10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.089 15.773 -9.356 1.00 0.00 H new ATOM 1361 N PRO A 91 11.315 16.550 -12.022 1.00 0.00 N ATOM 1362 CA PRO A 91 11.995 16.775 -13.301 1.00 0.00 C ATOM 1363 C PRO A 91 13.509 16.628 -13.187 1.00 0.00 C ATOM 1364 O PRO A 91 14.225 16.702 -14.184 1.00 0.00 O ATOM 1365 CB PRO A 91 11.623 18.219 -13.651 1.00 0.00 C ATOM 1366 CG PRO A 91 11.334 18.863 -12.339 1.00 0.00 C ATOM 1367 CD PRO A 91 10.742 17.787 -11.471 1.00 0.00 C ATOM 0 HA PRO A 91 11.695 16.048 -14.055 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.439 18.724 -14.169 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.756 18.256 -14.310 1.00 0.00 H new ATOM 0 HG2 PRO A 91 12.243 19.267 -11.894 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.640 19.695 -12.457 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.011 17.923 -10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.653 17.783 -11.522 1.00 0.00 H new ATOM 1375 N SER A 92 13.987 16.420 -11.965 1.00 0.00 N ATOM 1376 CA SER A 92 15.417 16.266 -11.720 1.00 0.00 C ATOM 1377 C SER A 92 16.097 15.571 -12.896 1.00 0.00 C ATOM 1378 O SER A 92 15.796 14.420 -13.209 1.00 0.00 O ATOM 1379 CB SER A 92 15.653 15.469 -10.435 1.00 0.00 C ATOM 1380 OG SER A 92 17.036 15.364 -10.147 1.00 0.00 O ATOM 0 H SER A 92 13.406 16.354 -11.129 1.00 0.00 H new ATOM 0 HA SER A 92 15.851 17.260 -11.607 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.141 15.954 -9.604 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.223 14.473 -10.537 1.00 0.00 H new ATOM 0 HG SER A 92 17.160 14.852 -9.321 1.00 0.00 H new ATOM 1386 N SER A 93 17.017 16.281 -13.542 1.00 0.00 N ATOM 1387 CA SER A 93 17.738 15.735 -14.686 1.00 0.00 C ATOM 1388 C SER A 93 18.894 14.851 -14.227 1.00 0.00 C ATOM 1389 O SER A 93 19.918 15.343 -13.753 1.00 0.00 O ATOM 1390 CB SER A 93 18.266 16.866 -15.569 1.00 0.00 C ATOM 1391 OG SER A 93 18.834 16.358 -16.764 1.00 0.00 O ATOM 0 H SER A 93 17.280 17.234 -13.293 1.00 0.00 H new ATOM 0 HA SER A 93 17.044 15.125 -15.265 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.454 17.551 -15.811 1.00 0.00 H new ATOM 0 HB3 SER A 93 19.014 17.439 -15.022 1.00 0.00 H new ATOM 0 HG SER A 93 19.163 17.101 -17.312 1.00 0.00 H new ATOM 1397 N GLY A 94 18.722 13.541 -14.372 1.00 0.00 N ATOM 1398 CA GLY A 94 19.758 12.607 -13.968 1.00 0.00 C ATOM 1399 C GLY A 94 19.867 12.479 -12.462 1.00 0.00 C ATOM 1400 O GLY A 94 20.959 12.652 -11.923 1.00 0.00 O ATOM 0 H GLY A 94 17.884 13.109 -14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 94 19.548 11.628 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 94 20.716 12.934 -14.372 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.937 -11.875 3.180 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 2.158 -10.315 -7.405 1.00 0.00 ZN