USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 555 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 34 HIS : no HD1:sc= -28.5! C(o=-29!,f=-28!) USER MOD Set 1.2: A 88 SER OG : rot 160:sc= -0.216 USER MOD Single : A 16 SER OG : rot 31:sc= 0.00738 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -50:sc= -2.48! USER MOD Single : A 37 THR OG1 : rot -150:sc= -0.362 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 170:sc= -0.793 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00838 USER MOD Single : A 46 SER OG : rot 32:sc= 0.262 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -0.0178 (180deg=-1.88!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 150:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0994 (180deg=-0.693) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 70:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -0.821 -4.737 -7.822 1.00 0.00 N ATOM 2 CA SER A 16 -1.284 -3.482 -7.256 1.00 0.00 C ATOM 3 C SER A 16 -0.089 -2.636 -6.810 1.00 0.00 C ATOM 4 O SER A 16 0.112 -1.529 -7.306 1.00 0.00 O ATOM 5 CB SER A 16 -2.230 -3.725 -6.078 1.00 0.00 C ATOM 6 OG SER A 16 -3.426 -4.386 -6.483 1.00 0.00 O ATOM 0 HA SER A 16 -1.836 -2.943 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.722 -4.325 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.482 -2.772 -5.612 1.00 0.00 H new ATOM 0 HG SER A 16 -3.235 -4.968 -7.248 1.00 0.00 H new ATOM 12 N GLU A 17 0.673 -3.190 -5.879 1.00 0.00 N ATOM 13 CA GLU A 17 1.843 -2.501 -5.361 1.00 0.00 C ATOM 14 C GLU A 17 3.072 -2.828 -6.212 1.00 0.00 C ATOM 15 O GLU A 17 3.120 -3.868 -6.866 1.00 0.00 O ATOM 16 CB GLU A 17 2.083 -2.856 -3.892 1.00 0.00 C ATOM 17 CG GLU A 17 0.955 -2.322 -3.007 1.00 0.00 C ATOM 18 CD GLU A 17 0.975 -2.990 -1.631 1.00 0.00 C ATOM 19 OE1 GLU A 17 2.054 -3.325 -1.120 1.00 0.00 O ATOM 20 OE2 GLU A 17 -0.183 -3.157 -1.089 1.00 0.00 O ATOM 0 H GLU A 17 0.503 -4.109 -5.470 1.00 0.00 H new ATOM 0 HA GLU A 17 1.662 -1.428 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.154 -3.938 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.035 -2.439 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.057 -1.243 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.006 -2.502 -3.489 1.00 0.00 H new ATOM 28 N ALA A 18 4.035 -1.919 -6.176 1.00 0.00 N ATOM 29 CA ALA A 18 5.261 -2.097 -6.936 1.00 0.00 C ATOM 30 C ALA A 18 5.861 -3.467 -6.614 1.00 0.00 C ATOM 31 O ALA A 18 6.179 -4.238 -7.518 1.00 0.00 O ATOM 32 CB ALA A 18 6.225 -0.950 -6.627 1.00 0.00 C ATOM 0 H ALA A 18 3.991 -1.057 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 18 5.056 -2.070 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.144 -1.084 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.762 -0.002 -6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.456 -0.946 -5.562 1.00 0.00 H new ATOM 38 N VAL A 19 5.998 -3.728 -5.322 1.00 0.00 N ATOM 39 CA VAL A 19 6.555 -4.991 -4.869 1.00 0.00 C ATOM 40 C VAL A 19 5.740 -6.144 -5.459 1.00 0.00 C ATOM 41 O VAL A 19 6.291 -7.027 -6.115 1.00 0.00 O ATOM 42 CB VAL A 19 6.611 -5.020 -3.340 1.00 0.00 C ATOM 43 CG1 VAL A 19 5.209 -4.904 -2.738 1.00 0.00 C ATOM 44 CG2 VAL A 19 7.319 -6.281 -2.841 1.00 0.00 C ATOM 0 H VAL A 19 5.733 -3.086 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 19 7.580 -5.104 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 19 7.190 -4.158 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.277 -4.927 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.754 -3.965 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.596 -5.737 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.345 -6.277 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.779 -7.162 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.338 -6.304 -3.228 1.00 0.00 H new ATOM 54 N TYR A 20 4.440 -6.098 -5.206 1.00 0.00 N ATOM 55 CA TYR A 20 3.544 -7.127 -5.704 1.00 0.00 C ATOM 56 C TYR A 20 3.692 -7.298 -7.217 1.00 0.00 C ATOM 57 O TYR A 20 3.415 -8.369 -7.754 1.00 0.00 O ATOM 58 CB TYR A 20 2.127 -6.639 -5.394 1.00 0.00 C ATOM 59 CG TYR A 20 1.606 -7.073 -4.022 1.00 0.00 C ATOM 60 CD1 TYR A 20 2.482 -7.554 -3.071 1.00 0.00 C ATOM 61 CD2 TYR A 20 0.258 -6.983 -3.737 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.991 -7.963 -1.781 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.233 -7.391 -2.446 1.00 0.00 C ATOM 64 CZ TYR A 20 0.658 -7.861 -1.532 1.00 0.00 C ATOM 65 OH TYR A 20 0.194 -8.247 -0.313 1.00 0.00 O ATOM 0 H TYR A 20 3.986 -5.364 -4.662 1.00 0.00 H new ATOM 0 HA TYR A 20 3.767 -8.087 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.108 -5.551 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.449 -7.010 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.536 -7.624 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.428 -6.607 -4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.666 -8.342 -1.028 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.285 -7.325 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.777 -8.118 -0.277 1.00 0.00 H new ATOM 75 N ILE A 21 4.128 -6.226 -7.861 1.00 0.00 N ATOM 76 CA ILE A 21 4.317 -6.243 -9.302 1.00 0.00 C ATOM 77 C ILE A 21 5.543 -7.093 -9.641 1.00 0.00 C ATOM 78 O ILE A 21 5.459 -8.017 -10.448 1.00 0.00 O ATOM 79 CB ILE A 21 4.385 -4.817 -9.851 1.00 0.00 C ATOM 80 CG1 ILE A 21 3.077 -4.434 -10.546 1.00 0.00 C ATOM 81 CG2 ILE A 21 5.596 -4.641 -10.769 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.820 -5.327 -11.761 1.00 0.00 C ATOM 0 H ILE A 21 4.356 -5.339 -7.412 1.00 0.00 H new ATOM 0 HA ILE A 21 3.462 -6.707 -9.793 1.00 0.00 H new ATOM 0 HB ILE A 21 4.515 -4.133 -9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.248 -4.522 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.119 -3.391 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.621 -3.619 -11.146 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.509 -4.844 -10.210 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.522 -5.335 -11.606 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.884 -5.034 -12.237 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.639 -5.218 -12.472 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.754 -6.367 -11.441 1.00 0.00 H new ATOM 94 N ALA A 22 6.655 -6.749 -9.008 1.00 0.00 N ATOM 95 CA ALA A 22 7.897 -7.468 -9.233 1.00 0.00 C ATOM 96 C ALA A 22 7.650 -8.968 -9.066 1.00 0.00 C ATOM 97 O ALA A 22 8.172 -9.776 -9.834 1.00 0.00 O ATOM 98 CB ALA A 22 8.971 -6.944 -8.276 1.00 0.00 C ATOM 0 H ALA A 22 6.722 -5.982 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 22 8.257 -7.304 -10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.903 -7.483 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.130 -5.880 -8.454 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.646 -7.095 -7.247 1.00 0.00 H new ATOM 104 N ILE A 23 6.854 -9.297 -8.060 1.00 0.00 N ATOM 105 CA ILE A 23 6.531 -10.686 -7.783 1.00 0.00 C ATOM 106 C ILE A 23 5.483 -11.171 -8.787 1.00 0.00 C ATOM 107 O ILE A 23 5.492 -12.335 -9.185 1.00 0.00 O ATOM 108 CB ILE A 23 6.109 -10.858 -6.322 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.586 -10.810 -6.182 1.00 0.00 C ATOM 110 CG2 ILE A 23 6.800 -9.826 -5.427 1.00 0.00 C ATOM 111 CD1 ILE A 23 4.143 -11.370 -4.829 1.00 0.00 C ATOM 0 H ILE A 23 6.423 -8.625 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 23 7.412 -11.315 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 23 6.432 -11.843 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.240 -9.782 -6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.125 -11.384 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.483 -9.970 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.881 -9.950 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.529 -8.822 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.056 -11.325 -4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.470 -12.406 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.587 -10.779 -4.028 1.00 0.00 H new ATOM 123 N GLU A 24 4.606 -10.255 -9.167 1.00 0.00 N ATOM 124 CA GLU A 24 3.553 -10.575 -10.117 1.00 0.00 C ATOM 125 C GLU A 24 4.142 -10.768 -11.516 1.00 0.00 C ATOM 126 O GLU A 24 3.489 -11.326 -12.396 1.00 0.00 O ATOM 127 CB GLU A 24 2.472 -9.493 -10.121 1.00 0.00 C ATOM 128 CG GLU A 24 1.364 -9.829 -11.122 1.00 0.00 C ATOM 129 CD GLU A 24 0.120 -8.975 -10.871 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.234 -7.756 -10.674 1.00 0.00 O ATOM 131 OE2 GLU A 24 -0.997 -9.620 -10.886 1.00 0.00 O ATOM 0 H GLU A 24 4.602 -9.291 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 24 3.084 -11.510 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.047 -9.395 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.917 -8.531 -10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.724 -9.663 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.106 -10.885 -11.043 1.00 0.00 H new ATOM 139 N ALA A 25 5.369 -10.295 -11.677 1.00 0.00 N ATOM 140 CA ALA A 25 6.052 -10.408 -12.954 1.00 0.00 C ATOM 141 C ALA A 25 6.187 -11.886 -13.326 1.00 0.00 C ATOM 142 O ALA A 25 6.466 -12.217 -14.478 1.00 0.00 O ATOM 143 CB ALA A 25 7.407 -9.702 -12.873 1.00 0.00 C ATOM 0 H ALA A 25 5.908 -9.833 -10.944 1.00 0.00 H new ATOM 0 HA ALA A 25 5.477 -9.920 -13.741 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.919 -9.787 -13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.255 -8.649 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.013 -10.166 -12.095 1.00 0.00 H new ATOM 149 N GLY A 26 5.983 -12.735 -12.330 1.00 0.00 N ATOM 150 CA GLY A 26 6.078 -14.170 -12.538 1.00 0.00 C ATOM 151 C GLY A 26 7.107 -14.794 -11.594 1.00 0.00 C ATOM 152 O GLY A 26 7.898 -15.642 -12.004 1.00 0.00 O ATOM 0 H GLY A 26 5.752 -12.457 -11.376 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.103 -14.630 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.357 -14.373 -13.572 1.00 0.00 H new ATOM 156 N THR A 27 7.064 -14.350 -10.346 1.00 0.00 N ATOM 157 CA THR A 27 7.983 -14.854 -9.340 1.00 0.00 C ATOM 158 C THR A 27 7.340 -16.000 -8.556 1.00 0.00 C ATOM 159 O THR A 27 7.949 -17.054 -8.378 1.00 0.00 O ATOM 160 CB THR A 27 8.410 -13.679 -8.458 1.00 0.00 C ATOM 161 OG1 THR A 27 9.710 -14.041 -8.002 1.00 0.00 O ATOM 162 CG2 THR A 27 7.580 -13.578 -7.176 1.00 0.00 C ATOM 0 H THR A 27 6.407 -13.647 -10.009 1.00 0.00 H new ATOM 0 HA THR A 27 8.877 -15.277 -9.798 1.00 0.00 H new ATOM 0 HB THR A 27 8.321 -12.751 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.687 -14.950 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.923 -12.728 -6.586 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.530 -13.441 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.695 -14.493 -6.595 1.00 0.00 H new ATOM 170 N LEU A 28 6.117 -15.755 -8.109 1.00 0.00 N ATOM 171 CA LEU A 28 5.384 -16.753 -7.349 1.00 0.00 C ATOM 172 C LEU A 28 4.010 -16.967 -7.987 1.00 0.00 C ATOM 173 O LEU A 28 3.535 -16.122 -8.745 1.00 0.00 O ATOM 174 CB LEU A 28 5.321 -16.362 -5.871 1.00 0.00 C ATOM 175 CG LEU A 28 4.930 -14.912 -5.577 1.00 0.00 C ATOM 176 CD1 LEU A 28 3.443 -14.804 -5.236 1.00 0.00 C ATOM 177 CD2 LEU A 28 5.815 -14.317 -4.480 1.00 0.00 C ATOM 0 H LEU A 28 5.615 -14.880 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 28 5.903 -17.711 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.608 -17.018 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.296 -16.552 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 28 5.097 -14.323 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.191 -13.763 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.850 -15.162 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.227 -15.409 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.516 -13.286 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.704 -14.901 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.857 -14.340 -4.801 1.00 0.00 H new ATOM 189 N ALA A 29 3.410 -18.101 -7.657 1.00 0.00 N ATOM 190 CA ALA A 29 2.100 -18.437 -8.189 1.00 0.00 C ATOM 191 C ALA A 29 1.180 -18.854 -7.040 1.00 0.00 C ATOM 192 O ALA A 29 1.649 -19.171 -5.948 1.00 0.00 O ATOM 193 CB ALA A 29 2.243 -19.532 -9.248 1.00 0.00 C ATOM 0 H ALA A 29 3.807 -18.799 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 29 1.650 -17.571 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.260 -19.783 -9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.882 -19.175 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.689 -20.418 -8.797 1.00 0.00 H new ATOM 199 N GLU A 30 -0.114 -18.841 -7.325 1.00 0.00 N ATOM 200 CA GLU A 30 -1.104 -19.214 -6.330 1.00 0.00 C ATOM 201 C GLU A 30 -2.327 -19.837 -7.005 1.00 0.00 C ATOM 202 O GLU A 30 -2.774 -19.364 -8.049 1.00 0.00 O ATOM 203 CB GLU A 30 -1.504 -18.009 -5.476 1.00 0.00 C ATOM 204 CG GLU A 30 -2.353 -17.023 -6.282 1.00 0.00 C ATOM 205 CD GLU A 30 -3.795 -17.517 -6.408 1.00 0.00 C ATOM 206 OE1 GLU A 30 -4.420 -17.871 -5.397 1.00 0.00 O ATOM 207 OE2 GLU A 30 -4.266 -17.524 -7.609 1.00 0.00 O ATOM 0 H GLU A 30 -0.500 -18.578 -8.232 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.661 -19.957 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.063 -18.347 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.609 -17.507 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.340 -16.046 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.921 -16.893 -7.274 1.00 0.00 H new ATOM 215 N CYS A 31 -2.835 -20.891 -6.382 1.00 0.00 N ATOM 216 CA CYS A 31 -3.997 -21.584 -6.910 1.00 0.00 C ATOM 217 C CYS A 31 -5.138 -20.574 -7.046 1.00 0.00 C ATOM 218 O CYS A 31 -5.555 -19.965 -6.062 1.00 0.00 O ATOM 219 CB CYS A 31 -4.392 -22.775 -6.034 1.00 0.00 C ATOM 220 SG CYS A 31 -4.664 -24.255 -7.075 1.00 0.00 S ATOM 0 H CYS A 31 -2.463 -21.281 -5.516 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.761 -21.999 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.609 -22.974 -5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.299 -22.541 -5.476 1.00 0.00 H new ATOM 225 N GLU A 32 -5.612 -20.427 -8.275 1.00 0.00 N ATOM 226 CA GLU A 32 -6.696 -19.501 -8.553 1.00 0.00 C ATOM 227 C GLU A 32 -8.040 -20.130 -8.181 1.00 0.00 C ATOM 228 O GLU A 32 -9.087 -19.501 -8.330 1.00 0.00 O ATOM 229 CB GLU A 32 -6.682 -19.064 -10.019 1.00 0.00 C ATOM 230 CG GLU A 32 -5.680 -17.930 -10.244 1.00 0.00 C ATOM 231 CD GLU A 32 -6.268 -16.585 -9.812 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.516 -15.634 -9.554 1.00 0.00 O ATOM 233 OE2 GLU A 32 -7.556 -16.549 -9.748 1.00 0.00 O ATOM 0 H GLU A 32 -5.265 -20.934 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.552 -18.610 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.424 -19.913 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.679 -18.737 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.768 -18.129 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.403 -17.888 -11.297 1.00 0.00 H new ATOM 241 N VAL A 33 -7.968 -21.364 -7.704 1.00 0.00 N ATOM 242 CA VAL A 33 -9.166 -22.086 -7.310 1.00 0.00 C ATOM 243 C VAL A 33 -9.220 -22.180 -5.784 1.00 0.00 C ATOM 244 O VAL A 33 -10.223 -22.614 -5.220 1.00 0.00 O ATOM 245 CB VAL A 33 -9.202 -23.453 -7.995 1.00 0.00 C ATOM 246 CG1 VAL A 33 -7.837 -23.806 -8.587 1.00 0.00 C ATOM 247 CG2 VAL A 33 -9.678 -24.539 -7.028 1.00 0.00 C ATOM 0 H VAL A 33 -7.098 -21.882 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.059 -21.551 -7.635 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.918 -23.398 -8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.891 -24.783 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.554 -23.054 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.092 -23.833 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.694 -25.501 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.998 -24.592 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.681 -24.298 -6.676 1.00 0.00 H new ATOM 257 N HIS A 34 -8.127 -21.767 -5.158 1.00 0.00 N ATOM 258 CA HIS A 34 -8.038 -21.799 -3.708 1.00 0.00 C ATOM 259 C HIS A 34 -7.548 -20.444 -3.194 1.00 0.00 C ATOM 260 O HIS A 34 -6.350 -20.164 -3.213 1.00 0.00 O ATOM 261 CB HIS A 34 -7.159 -22.963 -3.244 1.00 0.00 C ATOM 262 CG HIS A 34 -7.195 -24.163 -4.159 1.00 0.00 C ATOM 263 ND1 HIS A 34 -7.035 -24.065 -5.531 1.00 0.00 N ATOM 264 CD2 HIS A 34 -7.374 -25.487 -3.886 1.00 0.00 C ATOM 265 CE1 HIS A 34 -7.116 -25.282 -6.049 1.00 0.00 C ATOM 266 NE2 HIS A 34 -7.327 -26.162 -5.028 1.00 0.00 N ATOM 0 H HIS A 34 -7.296 -21.409 -5.629 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.026 -21.974 -3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.129 -22.615 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.476 -23.269 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.528 -25.914 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.030 -25.533 -7.096 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.431 -27.172 -5.126 1.00 0.00 H new ATOM 274 N GLU A 35 -8.500 -19.639 -2.745 1.00 0.00 N ATOM 275 CA GLU A 35 -8.180 -18.320 -2.226 1.00 0.00 C ATOM 276 C GLU A 35 -7.482 -18.438 -0.870 1.00 0.00 C ATOM 277 O GLU A 35 -8.026 -19.026 0.064 1.00 0.00 O ATOM 278 CB GLU A 35 -9.436 -17.452 -2.122 1.00 0.00 C ATOM 279 CG GLU A 35 -9.936 -17.043 -3.509 1.00 0.00 C ATOM 280 CD GLU A 35 -11.238 -16.245 -3.410 1.00 0.00 C ATOM 281 OE1 GLU A 35 -11.556 -15.709 -2.338 1.00 0.00 O ATOM 282 OE2 GLU A 35 -11.930 -16.193 -4.497 1.00 0.00 O ATOM 0 H GLU A 35 -9.492 -19.875 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.498 -17.833 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.218 -18.000 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.219 -16.561 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.176 -16.445 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.096 -17.932 -4.119 1.00 0.00 H new ATOM 290 N GLY A 36 -6.287 -17.869 -0.804 1.00 0.00 N ATOM 291 CA GLY A 36 -5.509 -17.903 0.423 1.00 0.00 C ATOM 292 C GLY A 36 -4.280 -18.802 0.268 1.00 0.00 C ATOM 293 O GLY A 36 -3.290 -18.634 0.978 1.00 0.00 O ATOM 0 H GLY A 36 -5.839 -17.382 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.194 -16.893 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.130 -18.267 1.242 1.00 0.00 H new ATOM 297 N THR A 37 -4.385 -19.737 -0.666 1.00 0.00 N ATOM 298 CA THR A 37 -3.295 -20.662 -0.923 1.00 0.00 C ATOM 299 C THR A 37 -2.344 -20.088 -1.975 1.00 0.00 C ATOM 300 O THR A 37 -2.779 -19.666 -3.046 1.00 0.00 O ATOM 301 CB THR A 37 -3.902 -22.008 -1.323 1.00 0.00 C ATOM 302 OG1 THR A 37 -5.299 -21.838 -1.102 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.508 -23.136 -0.366 1.00 0.00 C ATOM 0 H THR A 37 -5.208 -19.873 -1.253 1.00 0.00 H new ATOM 0 HA THR A 37 -2.688 -20.815 -0.031 1.00 0.00 H new ATOM 0 HB THR A 37 -3.585 -22.263 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.700 -22.700 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.965 -24.069 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.424 -23.246 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.854 -22.898 0.640 1.00 0.00 H new ATOM 311 N TYR A 38 -1.064 -20.090 -1.634 1.00 0.00 N ATOM 312 CA TYR A 38 -0.048 -19.574 -2.536 1.00 0.00 C ATOM 313 C TYR A 38 1.195 -20.466 -2.530 1.00 0.00 C ATOM 314 O TYR A 38 1.270 -21.427 -1.765 1.00 0.00 O ATOM 315 CB TYR A 38 0.329 -18.191 -2.000 1.00 0.00 C ATOM 316 CG TYR A 38 -0.524 -17.052 -2.564 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.867 -16.978 -2.256 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.051 -16.098 -3.379 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.669 -15.906 -2.786 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.751 -15.026 -3.909 1.00 0.00 C ATOM 321 CZ TYR A 38 -2.071 -14.983 -3.587 1.00 0.00 C ATOM 322 OH TYR A 38 -2.829 -13.971 -4.087 1.00 0.00 O ATOM 0 H TYR A 38 -0.707 -20.441 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.425 -19.538 -3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.238 -18.196 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.376 -17.996 -2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.317 -17.724 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.102 -16.156 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.721 -15.836 -2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.314 -14.273 -4.548 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.270 -13.387 -4.641 1.00 0.00 H new ATOM 332 N PHE A 39 2.139 -20.117 -3.392 1.00 0.00 N ATOM 333 CA PHE A 39 3.374 -20.874 -3.495 1.00 0.00 C ATOM 334 C PHE A 39 4.370 -20.175 -4.423 1.00 0.00 C ATOM 335 O PHE A 39 4.118 -20.040 -5.620 1.00 0.00 O ATOM 336 CB PHE A 39 3.015 -22.239 -4.087 1.00 0.00 C ATOM 337 CG PHE A 39 2.604 -22.189 -5.560 1.00 0.00 C ATOM 338 CD1 PHE A 39 1.300 -21.998 -5.896 1.00 0.00 C ATOM 339 CD2 PHE A 39 3.542 -22.337 -6.533 1.00 0.00 C ATOM 340 CE1 PHE A 39 0.919 -21.951 -7.263 1.00 0.00 C ATOM 341 CE2 PHE A 39 3.161 -22.290 -7.900 1.00 0.00 C ATOM 342 CZ PHE A 39 1.857 -22.099 -8.236 1.00 0.00 C ATOM 0 H PHE A 39 2.073 -19.320 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 39 3.837 -20.966 -2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.871 -22.906 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.200 -22.672 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.554 -21.882 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.577 -22.490 -6.266 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.116 -21.798 -7.530 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.907 -22.406 -8.673 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.567 -22.065 -9.276 1.00 0.00 H new ATOM 352 N SER A 40 5.479 -19.750 -3.837 1.00 0.00 N ATOM 353 CA SER A 40 6.513 -19.068 -4.596 1.00 0.00 C ATOM 354 C SER A 40 7.546 -20.079 -5.099 1.00 0.00 C ATOM 355 O SER A 40 7.806 -21.085 -4.440 1.00 0.00 O ATOM 356 CB SER A 40 7.194 -17.988 -3.753 1.00 0.00 C ATOM 357 OG SER A 40 6.249 -17.120 -3.134 1.00 0.00 O ATOM 0 H SER A 40 5.684 -19.865 -2.845 1.00 0.00 H new ATOM 0 HA SER A 40 6.044 -18.581 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.809 -18.460 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.864 -17.404 -4.384 1.00 0.00 H new ATOM 0 HG SER A 40 6.707 -16.550 -2.482 1.00 0.00 H new ATOM 363 N ASP A 41 8.106 -19.777 -6.260 1.00 0.00 N ATOM 364 CA ASP A 41 9.105 -20.647 -6.859 1.00 0.00 C ATOM 365 C ASP A 41 10.049 -21.158 -5.768 1.00 0.00 C ATOM 366 O ASP A 41 11.015 -20.484 -5.413 1.00 0.00 O ATOM 367 CB ASP A 41 9.942 -19.894 -7.894 1.00 0.00 C ATOM 368 CG ASP A 41 10.065 -20.585 -9.253 1.00 0.00 C ATOM 369 OD1 ASP A 41 9.069 -21.055 -9.823 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.261 -20.632 -9.735 1.00 0.00 O ATOM 0 H ASP A 41 7.887 -18.942 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 41 8.585 -21.472 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.505 -18.907 -8.044 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.942 -19.742 -7.489 1.00 0.00 H new ATOM 376 N SER A 42 9.736 -22.344 -5.268 1.00 0.00 N ATOM 377 CA SER A 42 10.544 -22.953 -4.225 1.00 0.00 C ATOM 378 C SER A 42 11.875 -23.433 -4.808 1.00 0.00 C ATOM 379 O SER A 42 11.916 -23.958 -5.920 1.00 0.00 O ATOM 380 CB SER A 42 9.804 -24.117 -3.563 1.00 0.00 C ATOM 381 OG SER A 42 9.189 -24.973 -4.523 1.00 0.00 O ATOM 0 H SER A 42 8.934 -22.900 -5.566 1.00 0.00 H new ATOM 0 HA SER A 42 10.739 -22.201 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.503 -24.694 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.044 -23.726 -2.886 1.00 0.00 H new ATOM 0 HG SER A 42 8.728 -25.704 -4.061 1.00 0.00 H new ATOM 387 N GLY A 43 12.930 -23.236 -4.031 1.00 0.00 N ATOM 388 CA GLY A 43 14.259 -23.642 -4.456 1.00 0.00 C ATOM 389 C GLY A 43 15.140 -22.424 -4.739 1.00 0.00 C ATOM 390 O GLY A 43 16.361 -22.491 -4.601 1.00 0.00 O ATOM 0 H GLY A 43 12.891 -22.801 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.720 -24.257 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.186 -24.258 -5.352 1.00 0.00 H new ATOM 394 N ASP A 44 14.488 -21.339 -5.130 1.00 0.00 N ATOM 395 CA ASP A 44 15.197 -20.108 -5.433 1.00 0.00 C ATOM 396 C ASP A 44 14.332 -18.913 -5.027 1.00 0.00 C ATOM 397 O ASP A 44 13.654 -18.319 -5.864 1.00 0.00 O ATOM 398 CB ASP A 44 15.487 -19.994 -6.931 1.00 0.00 C ATOM 399 CG ASP A 44 16.683 -19.111 -7.292 1.00 0.00 C ATOM 400 OD1 ASP A 44 17.552 -19.506 -8.085 1.00 0.00 O ATOM 401 OD2 ASP A 44 16.703 -17.957 -6.716 1.00 0.00 O ATOM 0 H ASP A 44 13.476 -21.287 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 44 16.138 -20.117 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.659 -20.994 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.601 -19.601 -7.429 1.00 0.00 H new ATOM 407 N ILE A 45 14.384 -18.596 -3.741 1.00 0.00 N ATOM 408 CA ILE A 45 13.614 -17.482 -3.214 1.00 0.00 C ATOM 409 C ILE A 45 14.259 -16.167 -3.655 1.00 0.00 C ATOM 410 O ILE A 45 13.568 -15.169 -3.854 1.00 0.00 O ATOM 411 CB ILE A 45 13.455 -17.611 -1.697 1.00 0.00 C ATOM 412 CG1 ILE A 45 14.769 -17.297 -0.980 1.00 0.00 C ATOM 413 CG2 ILE A 45 12.910 -18.990 -1.319 1.00 0.00 C ATOM 414 CD1 ILE A 45 14.615 -16.083 -0.061 1.00 0.00 C ATOM 0 H ILE A 45 14.947 -19.091 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 45 12.602 -17.493 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 45 12.724 -16.874 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 45 15.085 -18.162 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 45 15.551 -17.105 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.806 -19.056 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.936 -19.137 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.599 -19.761 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.563 -15.881 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.323 -15.215 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.849 -16.288 0.687 1.00 0.00 H new ATOM 426 N SER A 46 15.576 -16.209 -3.794 1.00 0.00 N ATOM 427 CA SER A 46 16.322 -15.032 -4.208 1.00 0.00 C ATOM 428 C SER A 46 16.000 -14.694 -5.664 1.00 0.00 C ATOM 429 O SER A 46 16.143 -13.547 -6.085 1.00 0.00 O ATOM 430 CB SER A 46 17.827 -15.245 -4.032 1.00 0.00 C ATOM 431 OG SER A 46 18.231 -16.553 -4.426 1.00 0.00 O ATOM 0 H SER A 46 16.146 -17.039 -3.628 1.00 0.00 H new ATOM 0 HA SER A 46 16.024 -14.197 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.369 -14.505 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.097 -15.081 -2.989 1.00 0.00 H new ATOM 0 HG SER A 46 17.657 -16.867 -5.156 1.00 0.00 H new ATOM 437 N GLU A 47 15.571 -15.713 -6.394 1.00 0.00 N ATOM 438 CA GLU A 47 15.228 -15.538 -7.795 1.00 0.00 C ATOM 439 C GLU A 47 14.163 -14.451 -7.949 1.00 0.00 C ATOM 440 O GLU A 47 14.090 -13.790 -8.984 1.00 0.00 O ATOM 441 CB GLU A 47 14.758 -16.857 -8.414 1.00 0.00 C ATOM 442 CG GLU A 47 15.665 -17.272 -9.574 1.00 0.00 C ATOM 443 CD GLU A 47 15.021 -18.386 -10.402 1.00 0.00 C ATOM 444 OE1 GLU A 47 14.186 -19.141 -9.881 1.00 0.00 O ATOM 445 OE2 GLU A 47 15.415 -18.452 -11.628 1.00 0.00 O ATOM 0 H GLU A 47 15.453 -16.663 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 47 16.123 -15.221 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.753 -17.638 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.733 -16.751 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.865 -16.410 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.625 -17.611 -9.186 1.00 0.00 H new ATOM 453 N ALA A 48 13.364 -14.298 -6.903 1.00 0.00 N ATOM 454 CA ALA A 48 12.306 -13.302 -6.909 1.00 0.00 C ATOM 455 C ALA A 48 12.927 -11.904 -6.855 1.00 0.00 C ATOM 456 O ALA A 48 12.511 -11.008 -7.587 1.00 0.00 O ATOM 457 CB ALA A 48 11.353 -13.561 -5.741 1.00 0.00 C ATOM 0 H ALA A 48 13.428 -14.847 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 48 11.722 -13.369 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.560 -12.814 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.916 -14.555 -5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.903 -13.500 -4.802 1.00 0.00 H new ATOM 463 N GLU A 49 13.913 -11.763 -5.982 1.00 0.00 N ATOM 464 CA GLU A 49 14.596 -10.490 -5.823 1.00 0.00 C ATOM 465 C GLU A 49 15.262 -10.078 -7.137 1.00 0.00 C ATOM 466 O GLU A 49 15.167 -8.923 -7.550 1.00 0.00 O ATOM 467 CB GLU A 49 15.618 -10.554 -4.686 1.00 0.00 C ATOM 468 CG GLU A 49 17.040 -10.684 -5.234 1.00 0.00 C ATOM 469 CD GLU A 49 18.058 -10.789 -4.097 1.00 0.00 C ATOM 470 OE1 GLU A 49 18.870 -9.871 -3.904 1.00 0.00 O ATOM 471 OE2 GLU A 49 17.986 -11.871 -3.398 1.00 0.00 O ATOM 0 H GLU A 49 14.256 -12.509 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 49 13.857 -9.733 -5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.542 -9.656 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.395 -11.402 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.109 -11.566 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.274 -9.821 -5.858 1.00 0.00 H new ATOM 479 N GLU A 50 15.922 -11.045 -7.757 1.00 0.00 N ATOM 480 CA GLU A 50 16.605 -10.797 -9.016 1.00 0.00 C ATOM 481 C GLU A 50 15.592 -10.456 -10.111 1.00 0.00 C ATOM 482 O GLU A 50 15.729 -9.444 -10.796 1.00 0.00 O ATOM 483 CB GLU A 50 17.465 -11.996 -9.419 1.00 0.00 C ATOM 484 CG GLU A 50 17.839 -11.930 -10.901 1.00 0.00 C ATOM 485 CD GLU A 50 16.692 -12.435 -11.779 1.00 0.00 C ATOM 486 OE1 GLU A 50 16.052 -13.442 -11.443 1.00 0.00 O ATOM 487 OE2 GLU A 50 16.474 -11.741 -12.844 1.00 0.00 O ATOM 0 H GLU A 50 15.999 -12.002 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 50 17.270 -9.943 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.370 -12.019 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.923 -12.920 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 50 18.085 -10.903 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.731 -12.530 -11.082 1.00 0.00 H new ATOM 495 N LEU A 51 14.597 -11.322 -10.242 1.00 0.00 N ATOM 496 CA LEU A 51 13.561 -11.125 -11.242 1.00 0.00 C ATOM 497 C LEU A 51 12.892 -9.768 -11.017 1.00 0.00 C ATOM 498 O LEU A 51 12.548 -9.076 -11.974 1.00 0.00 O ATOM 499 CB LEU A 51 12.582 -12.301 -11.237 1.00 0.00 C ATOM 500 CG LEU A 51 11.112 -11.951 -11.476 1.00 0.00 C ATOM 501 CD1 LEU A 51 10.465 -11.403 -10.202 1.00 0.00 C ATOM 502 CD2 LEU A 51 10.962 -10.988 -12.655 1.00 0.00 C ATOM 0 H LEU A 51 14.487 -12.161 -9.673 1.00 0.00 H new ATOM 0 HA LEU A 51 13.995 -11.105 -12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.895 -13.012 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.662 -12.811 -10.277 1.00 0.00 H new ATOM 0 HG LEU A 51 10.581 -12.866 -11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.420 -11.162 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.522 -12.153 -9.413 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.991 -10.503 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.907 -10.756 -12.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.510 -10.069 -12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.361 -11.452 -13.557 1.00 0.00 H new ATOM 514 N ALA A 52 12.729 -9.427 -9.747 1.00 0.00 N ATOM 515 CA ALA A 52 12.107 -8.165 -9.385 1.00 0.00 C ATOM 516 C ALA A 52 12.987 -7.011 -9.870 1.00 0.00 C ATOM 517 O ALA A 52 12.481 -6.004 -10.362 1.00 0.00 O ATOM 518 CB ALA A 52 11.874 -8.125 -7.874 1.00 0.00 C ATOM 0 H ALA A 52 13.017 -10.003 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 52 11.135 -8.064 -9.867 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.407 -7.178 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.220 -8.948 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.828 -8.221 -7.356 1.00 0.00 H new ATOM 524 N ARG A 53 14.290 -7.196 -9.713 1.00 0.00 N ATOM 525 CA ARG A 53 15.245 -6.183 -10.129 1.00 0.00 C ATOM 526 C ARG A 53 15.199 -6.000 -11.647 1.00 0.00 C ATOM 527 O ARG A 53 15.387 -4.893 -12.149 1.00 0.00 O ATOM 528 CB ARG A 53 16.667 -6.561 -9.710 1.00 0.00 C ATOM 529 CG ARG A 53 17.503 -6.977 -10.922 1.00 0.00 C ATOM 530 CD ARG A 53 18.873 -7.503 -10.489 1.00 0.00 C ATOM 531 NE ARG A 53 19.471 -8.310 -11.576 1.00 0.00 N ATOM 532 CZ ARG A 53 20.588 -9.039 -11.443 1.00 0.00 C ATOM 533 NH1 ARG A 53 21.233 -9.067 -10.269 1.00 0.00 N ATOM 534 NH2 ARG A 53 21.058 -9.741 -12.483 1.00 0.00 N ATOM 0 H ARG A 53 14.706 -8.032 -9.304 1.00 0.00 H new ATOM 0 HA ARG A 53 14.971 -5.249 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.140 -5.715 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.633 -7.378 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.975 -7.747 -11.485 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.631 -6.125 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 53 19.530 -6.670 -10.240 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.771 -8.109 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 53 19.004 -8.312 -12.483 1.00 0.00 H new ATOM 0 HH11 ARG A 53 20.874 -8.534 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.083 -9.622 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.566 -9.721 -13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 21.908 -10.296 -12.382 1.00 0.00 H new ATOM 548 N GLU A 54 14.948 -7.104 -12.336 1.00 0.00 N ATOM 549 CA GLU A 54 14.874 -7.080 -13.787 1.00 0.00 C ATOM 550 C GLU A 54 13.663 -6.265 -14.244 1.00 0.00 C ATOM 551 O GLU A 54 13.804 -5.310 -15.006 1.00 0.00 O ATOM 552 CB GLU A 54 14.828 -8.499 -14.357 1.00 0.00 C ATOM 553 CG GLU A 54 15.058 -8.490 -15.870 1.00 0.00 C ATOM 554 CD GLU A 54 14.685 -9.838 -16.489 1.00 0.00 C ATOM 555 OE1 GLU A 54 13.497 -10.108 -16.718 1.00 0.00 O ATOM 556 OE2 GLU A 54 15.682 -10.619 -16.734 1.00 0.00 O ATOM 0 H GLU A 54 14.793 -8.021 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 54 15.775 -6.600 -14.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.587 -9.114 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.862 -8.953 -14.135 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.464 -7.699 -16.327 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.104 -8.266 -16.081 1.00 0.00 H new ATOM 564 N LYS A 55 12.499 -6.672 -13.759 1.00 0.00 N ATOM 565 CA LYS A 55 11.263 -5.992 -14.108 1.00 0.00 C ATOM 566 C LYS A 55 11.277 -4.582 -13.513 1.00 0.00 C ATOM 567 O LYS A 55 10.695 -3.660 -14.082 1.00 0.00 O ATOM 568 CB LYS A 55 10.054 -6.827 -13.684 1.00 0.00 C ATOM 569 CG LYS A 55 8.863 -6.578 -14.612 1.00 0.00 C ATOM 570 CD LYS A 55 7.545 -6.613 -13.835 1.00 0.00 C ATOM 571 CE LYS A 55 6.592 -5.520 -14.323 1.00 0.00 C ATOM 572 NZ LYS A 55 6.911 -4.228 -13.675 1.00 0.00 N ATOM 0 H LYS A 55 12.386 -7.464 -13.127 1.00 0.00 H new ATOM 0 HA LYS A 55 11.181 -5.881 -15.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.315 -7.885 -13.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.779 -6.580 -12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.975 -5.611 -15.102 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.846 -7.333 -15.398 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.075 -7.589 -13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.742 -6.480 -12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.668 -5.419 -15.406 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.563 -5.801 -14.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.033 -3.697 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.387 -4.403 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.538 -3.675 -14.293 1.00 0.00 H new ATOM 586 N PHE A 56 11.947 -4.461 -12.377 1.00 0.00 N ATOM 587 CA PHE A 56 12.043 -3.179 -11.699 1.00 0.00 C ATOM 588 C PHE A 56 12.911 -2.202 -12.495 1.00 0.00 C ATOM 589 O PHE A 56 12.577 -1.024 -12.613 1.00 0.00 O ATOM 590 CB PHE A 56 12.702 -3.439 -10.343 1.00 0.00 C ATOM 591 CG PHE A 56 13.138 -2.169 -9.609 1.00 0.00 C ATOM 592 CD1 PHE A 56 14.134 -1.396 -10.120 1.00 0.00 C ATOM 593 CD2 PHE A 56 12.529 -1.813 -8.446 1.00 0.00 C ATOM 594 CE1 PHE A 56 14.538 -0.218 -9.439 1.00 0.00 C ATOM 595 CE2 PHE A 56 12.934 -0.635 -7.765 1.00 0.00 C ATOM 596 CZ PHE A 56 13.930 0.138 -8.275 1.00 0.00 C ATOM 0 H PHE A 56 12.428 -5.229 -11.909 1.00 0.00 H new ATOM 0 HA PHE A 56 11.051 -2.739 -11.592 1.00 0.00 H new ATOM 0 HB2 PHE A 56 12.005 -3.990 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 56 13.573 -4.078 -10.490 1.00 0.00 H new ATOM 0 HD1 PHE A 56 14.617 -1.679 -11.044 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.738 -2.426 -8.041 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.328 0.396 -9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.451 -0.353 -6.841 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.238 1.034 -7.756 1.00 0.00 H new ATOM 606 N GLU A 57 14.008 -2.727 -13.021 1.00 0.00 N ATOM 607 CA GLU A 57 14.926 -1.916 -13.802 1.00 0.00 C ATOM 608 C GLU A 57 14.291 -1.538 -15.142 1.00 0.00 C ATOM 609 O GLU A 57 14.558 -0.463 -15.678 1.00 0.00 O ATOM 610 CB GLU A 57 16.257 -2.640 -14.011 1.00 0.00 C ATOM 611 CG GLU A 57 17.214 -1.797 -14.855 1.00 0.00 C ATOM 612 CD GLU A 57 18.611 -2.420 -14.888 1.00 0.00 C ATOM 613 OE1 GLU A 57 18.901 -3.245 -15.767 1.00 0.00 O ATOM 614 OE2 GLU A 57 19.409 -2.019 -13.958 1.00 0.00 O ATOM 0 H GLU A 57 14.282 -3.705 -12.921 1.00 0.00 H new ATOM 0 HA GLU A 57 15.132 -1.000 -13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.713 -2.856 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.081 -3.597 -14.502 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.827 -1.709 -15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.272 -0.788 -14.447 1.00 0.00 H new ATOM 622 N LYS A 58 13.463 -2.442 -15.644 1.00 0.00 N ATOM 623 CA LYS A 58 12.788 -2.217 -16.911 1.00 0.00 C ATOM 624 C LYS A 58 11.566 -1.325 -16.682 1.00 0.00 C ATOM 625 O LYS A 58 10.825 -1.028 -17.618 1.00 0.00 O ATOM 626 CB LYS A 58 12.459 -3.549 -17.587 1.00 0.00 C ATOM 627 CG LYS A 58 11.483 -3.349 -18.748 1.00 0.00 C ATOM 628 CD LYS A 58 10.033 -3.424 -18.265 1.00 0.00 C ATOM 629 CE LYS A 58 9.459 -4.827 -18.469 1.00 0.00 C ATOM 630 NZ LYS A 58 7.982 -4.801 -18.382 1.00 0.00 N ATOM 0 H LYS A 58 13.244 -3.332 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 58 13.444 -1.688 -17.603 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.376 -4.011 -17.954 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.026 -4.234 -16.858 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.664 -2.382 -19.217 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.656 -4.110 -19.509 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.983 -3.157 -17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.428 -2.697 -18.807 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.765 -5.214 -19.441 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.862 -5.504 -17.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.609 -5.762 -18.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.696 -4.452 -17.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.602 -4.171 -19.117 1.00 0.00 H new ATOM 644 N GLY A 59 11.393 -0.922 -15.431 1.00 0.00 N ATOM 645 CA GLY A 59 10.274 -0.070 -15.067 1.00 0.00 C ATOM 646 C GLY A 59 10.324 0.296 -13.583 1.00 0.00 C ATOM 647 O GLY A 59 9.581 -0.262 -12.777 1.00 0.00 O ATOM 0 H GLY A 59 12.009 -1.170 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.292 0.838 -15.670 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.337 -0.581 -15.288 1.00 0.00 H new ATOM 651 N GLU A 60 11.207 1.231 -13.266 1.00 0.00 N ATOM 652 CA GLU A 60 11.364 1.678 -11.892 1.00 0.00 C ATOM 653 C GLU A 60 10.160 2.522 -11.468 1.00 0.00 C ATOM 654 O GLU A 60 9.740 3.421 -12.195 1.00 0.00 O ATOM 655 CB GLU A 60 12.669 2.457 -11.715 1.00 0.00 C ATOM 656 CG GLU A 60 13.750 1.940 -12.666 1.00 0.00 C ATOM 657 CD GLU A 60 13.933 2.887 -13.854 1.00 0.00 C ATOM 658 OE1 GLU A 60 13.479 4.040 -13.804 1.00 0.00 O ATOM 659 OE2 GLU A 60 14.575 2.387 -14.855 1.00 0.00 O ATOM 0 H GLU A 60 11.822 1.692 -13.937 1.00 0.00 H new ATOM 0 HA GLU A 60 11.413 0.800 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.492 3.516 -11.901 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.013 2.368 -10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.693 1.838 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.479 0.948 -13.026 1.00 0.00 H new ATOM 667 N VAL A 61 9.638 2.202 -10.293 1.00 0.00 N ATOM 668 CA VAL A 61 8.491 2.919 -9.763 1.00 0.00 C ATOM 669 C VAL A 61 8.660 3.099 -8.253 1.00 0.00 C ATOM 670 O VAL A 61 9.180 4.117 -7.800 1.00 0.00 O ATOM 671 CB VAL A 61 7.199 2.189 -10.138 1.00 0.00 C ATOM 672 CG1 VAL A 61 7.397 0.672 -10.101 1.00 0.00 C ATOM 673 CG2 VAL A 61 6.046 2.614 -9.227 1.00 0.00 C ATOM 0 H VAL A 61 9.989 1.455 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 61 8.426 3.914 -10.203 1.00 0.00 H new ATOM 0 HB VAL A 61 6.940 2.468 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.464 0.177 -10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.176 0.389 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.691 0.368 -9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.140 2.081 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.294 2.377 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.882 3.687 -9.324 1.00 0.00 H new ATOM 683 N SER A 62 8.210 2.094 -7.516 1.00 0.00 N ATOM 684 CA SER A 62 8.305 2.128 -6.066 1.00 0.00 C ATOM 685 C SER A 62 7.778 3.465 -5.539 1.00 0.00 C ATOM 686 O SER A 62 8.295 3.996 -4.557 1.00 0.00 O ATOM 687 CB SER A 62 9.746 1.906 -5.603 1.00 0.00 C ATOM 688 OG SER A 62 10.479 1.089 -6.512 1.00 0.00 O ATOM 0 H SER A 62 7.779 1.251 -7.896 1.00 0.00 H new ATOM 0 HA SER A 62 7.694 1.320 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.245 2.869 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.742 1.439 -4.618 1.00 0.00 H new ATOM 0 HG SER A 62 11.426 1.340 -6.486 1.00 0.00 H new ATOM 694 N ASN A 63 6.757 3.970 -6.215 1.00 0.00 N ATOM 695 CA ASN A 63 6.155 5.234 -5.827 1.00 0.00 C ATOM 696 C ASN A 63 7.252 6.197 -5.369 1.00 0.00 C ATOM 697 O ASN A 63 7.042 6.993 -4.455 1.00 0.00 O ATOM 698 CB ASN A 63 5.177 5.045 -4.666 1.00 0.00 C ATOM 699 CG ASN A 63 4.309 3.802 -4.877 1.00 0.00 C ATOM 700 OD1 ASN A 63 4.521 2.758 -4.283 1.00 0.00 O ATOM 701 ND2 ASN A 63 3.324 3.973 -5.753 1.00 0.00 N ATOM 0 H ASN A 63 6.331 3.527 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 63 5.619 5.631 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.730 4.952 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.541 5.926 -4.574 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.689 3.203 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.203 4.874 -6.215 1.00 0.00 H new ATOM 708 N PHE A 64 8.398 6.093 -6.025 1.00 0.00 N ATOM 709 CA PHE A 64 9.529 6.945 -5.696 1.00 0.00 C ATOM 710 C PHE A 64 10.210 6.480 -4.408 1.00 0.00 C ATOM 711 O PHE A 64 10.184 7.183 -3.399 1.00 0.00 O ATOM 712 CB PHE A 64 8.978 8.357 -5.487 1.00 0.00 C ATOM 713 CG PHE A 64 9.953 9.469 -5.881 1.00 0.00 C ATOM 714 CD1 PHE A 64 11.283 9.204 -5.980 1.00 0.00 C ATOM 715 CD2 PHE A 64 9.488 10.723 -6.131 1.00 0.00 C ATOM 716 CE1 PHE A 64 12.187 10.236 -6.346 1.00 0.00 C ATOM 717 CE2 PHE A 64 10.393 11.755 -6.496 1.00 0.00 C ATOM 718 CZ PHE A 64 11.723 11.490 -6.596 1.00 0.00 C ATOM 0 H PHE A 64 8.568 5.432 -6.783 1.00 0.00 H new ATOM 0 HA PHE A 64 10.267 6.910 -6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.062 8.468 -6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.708 8.479 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.652 8.209 -5.780 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.432 10.933 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.243 10.025 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.025 12.751 -6.694 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.411 12.275 -6.874 1.00 0.00 H new ATOM 728 N ASP A 65 10.802 5.297 -4.483 1.00 0.00 N ATOM 729 CA ASP A 65 11.489 4.730 -3.335 1.00 0.00 C ATOM 730 C ASP A 65 12.839 4.166 -3.782 1.00 0.00 C ATOM 731 O ASP A 65 13.225 4.314 -4.940 1.00 0.00 O ATOM 732 CB ASP A 65 10.680 3.587 -2.719 1.00 0.00 C ATOM 733 CG ASP A 65 9.644 4.016 -1.678 1.00 0.00 C ATOM 734 OD1 ASP A 65 9.095 3.183 -0.941 1.00 0.00 O ATOM 735 OD2 ASP A 65 9.401 5.282 -1.640 1.00 0.00 O ATOM 0 H ASP A 65 10.820 4.716 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 65 11.619 5.520 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.169 3.051 -3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.370 2.883 -2.254 1.00 0.00 H new ATOM 741 N ASP A 66 13.520 3.530 -2.839 1.00 0.00 N ATOM 742 CA ASP A 66 14.819 2.944 -3.121 1.00 0.00 C ATOM 743 C ASP A 66 14.624 1.575 -3.777 1.00 0.00 C ATOM 744 O ASP A 66 13.646 0.884 -3.499 1.00 0.00 O ATOM 745 CB ASP A 66 15.623 2.741 -1.835 1.00 0.00 C ATOM 746 CG ASP A 66 15.713 3.970 -0.928 1.00 0.00 C ATOM 747 OD1 ASP A 66 14.900 4.147 -0.008 1.00 0.00 O ATOM 748 OD2 ASP A 66 16.680 4.779 -1.201 1.00 0.00 O ATOM 0 H ASP A 66 13.196 3.408 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 66 15.359 3.623 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.176 1.923 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.633 2.430 -2.101 1.00 0.00 H new ATOM 754 N VAL A 67 15.571 1.225 -4.634 1.00 0.00 N ATOM 755 CA VAL A 67 15.516 -0.048 -5.332 1.00 0.00 C ATOM 756 C VAL A 67 15.704 -1.185 -4.325 1.00 0.00 C ATOM 757 O VAL A 67 14.826 -2.032 -4.169 1.00 0.00 O ATOM 758 CB VAL A 67 16.550 -0.072 -6.460 1.00 0.00 C ATOM 759 CG1 VAL A 67 16.302 -1.249 -7.406 1.00 0.00 C ATOM 760 CG2 VAL A 67 16.558 1.253 -7.224 1.00 0.00 C ATOM 0 H VAL A 67 16.381 1.801 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 67 14.541 -0.185 -5.800 1.00 0.00 H new ATOM 0 HB VAL A 67 17.534 -0.205 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 17.050 -1.243 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 67 16.370 -2.184 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 67 15.308 -1.160 -7.845 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.301 1.210 -8.020 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.573 1.430 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.805 2.065 -6.541 1.00 0.00 H new ATOM 770 N GLU A 68 16.854 -1.167 -3.668 1.00 0.00 N ATOM 771 CA GLU A 68 17.168 -2.185 -2.680 1.00 0.00 C ATOM 772 C GLU A 68 15.999 -2.361 -1.709 1.00 0.00 C ATOM 773 O GLU A 68 15.823 -3.433 -1.132 1.00 0.00 O ATOM 774 CB GLU A 68 18.457 -1.843 -1.930 1.00 0.00 C ATOM 775 CG GLU A 68 18.783 -2.911 -0.885 1.00 0.00 C ATOM 776 CD GLU A 68 19.399 -4.149 -1.539 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.532 -4.087 -2.040 1.00 0.00 O ATOM 778 OE2 GLU A 68 18.658 -5.205 -1.515 1.00 0.00 O ATOM 0 H GLU A 68 17.580 -0.463 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 68 17.329 -3.130 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.282 -1.758 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.353 -0.873 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.474 -2.504 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.875 -3.191 -0.351 1.00 0.00 H new ATOM 786 N GLU A 69 15.230 -1.293 -1.559 1.00 0.00 N ATOM 787 CA GLU A 69 14.082 -1.316 -0.668 1.00 0.00 C ATOM 788 C GLU A 69 12.935 -2.106 -1.300 1.00 0.00 C ATOM 789 O GLU A 69 12.372 -3.001 -0.671 1.00 0.00 O ATOM 790 CB GLU A 69 13.638 0.103 -0.309 1.00 0.00 C ATOM 791 CG GLU A 69 12.421 0.079 0.618 1.00 0.00 C ATOM 792 CD GLU A 69 12.718 -0.715 1.892 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.835 -0.638 2.424 1.00 0.00 O ATOM 794 OE2 GLU A 69 11.738 -1.432 2.328 1.00 0.00 O ATOM 0 H GLU A 69 15.379 -0.406 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 69 14.374 -1.815 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.458 0.633 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.396 0.653 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.138 1.099 0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.572 -0.365 0.098 1.00 0.00 H new ATOM 802 N LEU A 70 12.623 -1.748 -2.537 1.00 0.00 N ATOM 803 CA LEU A 70 11.553 -2.412 -3.261 1.00 0.00 C ATOM 804 C LEU A 70 11.887 -3.898 -3.406 1.00 0.00 C ATOM 805 O LEU A 70 11.107 -4.757 -2.997 1.00 0.00 O ATOM 806 CB LEU A 70 11.290 -1.708 -4.594 1.00 0.00 C ATOM 807 CG LEU A 70 9.855 -1.782 -5.120 1.00 0.00 C ATOM 808 CD1 LEU A 70 9.833 -2.161 -6.602 1.00 0.00 C ATOM 809 CD2 LEU A 70 9.009 -2.733 -4.272 1.00 0.00 C ATOM 0 H LEU A 70 13.093 -1.006 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 70 10.619 -2.347 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.563 -0.658 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.954 -2.136 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 70 9.408 -0.791 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.801 -2.207 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.378 -1.412 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.304 -3.135 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.994 -2.767 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.444 -3.732 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.985 -2.378 -3.242 1.00 0.00 H new ATOM 821 N VAL A 71 13.048 -4.157 -3.991 1.00 0.00 N ATOM 822 CA VAL A 71 13.495 -5.524 -4.196 1.00 0.00 C ATOM 823 C VAL A 71 13.458 -6.273 -2.862 1.00 0.00 C ATOM 824 O VAL A 71 13.021 -7.421 -2.803 1.00 0.00 O ATOM 825 CB VAL A 71 14.880 -5.530 -4.846 1.00 0.00 C ATOM 826 CG1 VAL A 71 14.793 -5.146 -6.325 1.00 0.00 C ATOM 827 CG2 VAL A 71 15.842 -4.607 -4.096 1.00 0.00 C ATOM 0 H VAL A 71 13.693 -3.443 -4.329 1.00 0.00 H new ATOM 0 HA VAL A 71 12.827 -6.046 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 71 15.274 -6.545 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.791 -5.158 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.158 -5.860 -6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.368 -4.146 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.819 -4.630 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.454 -3.588 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.939 -4.944 -3.064 1.00 0.00 H new ATOM 837 N LYS A 72 13.922 -5.592 -1.824 1.00 0.00 N ATOM 838 CA LYS A 72 13.948 -6.179 -0.495 1.00 0.00 C ATOM 839 C LYS A 72 12.522 -6.540 -0.074 1.00 0.00 C ATOM 840 O LYS A 72 12.307 -7.539 0.610 1.00 0.00 O ATOM 841 CB LYS A 72 14.662 -5.249 0.487 1.00 0.00 C ATOM 842 CG LYS A 72 14.489 -5.736 1.928 1.00 0.00 C ATOM 843 CD LYS A 72 13.231 -5.139 2.561 1.00 0.00 C ATOM 844 CE LYS A 72 13.235 -5.333 4.078 1.00 0.00 C ATOM 845 NZ LYS A 72 14.363 -4.597 4.692 1.00 0.00 N ATOM 0 H LYS A 72 14.283 -4.639 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 72 14.524 -7.104 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.723 -5.200 0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.265 -4.238 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.427 -6.824 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.363 -5.459 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.171 -4.076 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.346 -5.610 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.292 -4.982 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.314 -6.394 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.128 -4.361 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.217 -5.191 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.537 -3.721 4.159 1.00 0.00 H new ATOM 859 N LYS A 73 11.584 -5.706 -0.501 1.00 0.00 N ATOM 860 CA LYS A 73 10.185 -5.925 -0.177 1.00 0.00 C ATOM 861 C LYS A 73 9.643 -7.077 -1.025 1.00 0.00 C ATOM 862 O LYS A 73 8.723 -7.779 -0.610 1.00 0.00 O ATOM 863 CB LYS A 73 9.391 -4.625 -0.326 1.00 0.00 C ATOM 864 CG LYS A 73 8.318 -4.511 0.758 1.00 0.00 C ATOM 865 CD LYS A 73 7.918 -3.051 0.982 1.00 0.00 C ATOM 866 CE LYS A 73 6.944 -2.578 -0.099 1.00 0.00 C ATOM 867 NZ LYS A 73 5.546 -2.830 0.316 1.00 0.00 N ATOM 0 H LYS A 73 11.766 -4.878 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 73 10.078 -6.220 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.067 -3.772 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.924 -4.591 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.442 -5.092 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.690 -4.937 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.458 -2.943 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.808 -2.421 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.088 -1.514 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.151 -3.097 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.898 -2.503 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.408 -3.849 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.347 -2.315 1.198 1.00 0.00 H new ATOM 881 N VAL A 74 10.238 -7.236 -2.199 1.00 0.00 N ATOM 882 CA VAL A 74 9.827 -8.291 -3.109 1.00 0.00 C ATOM 883 C VAL A 74 10.094 -9.651 -2.461 1.00 0.00 C ATOM 884 O VAL A 74 9.181 -10.461 -2.309 1.00 0.00 O ATOM 885 CB VAL A 74 10.531 -8.123 -4.457 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.223 -9.298 -5.387 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.152 -6.792 -5.111 1.00 0.00 C ATOM 0 H VAL A 74 11.001 -6.652 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 74 8.757 -8.229 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 74 11.606 -8.113 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.736 -9.153 -6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.565 -10.225 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.148 -9.354 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.666 -6.697 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.075 -6.760 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.445 -5.970 -4.459 1.00 0.00 H new ATOM 897 N VAL A 75 11.351 -9.860 -2.096 1.00 0.00 N ATOM 898 CA VAL A 75 11.750 -11.108 -1.468 1.00 0.00 C ATOM 899 C VAL A 75 11.069 -11.228 -0.103 1.00 0.00 C ATOM 900 O VAL A 75 10.720 -12.326 0.327 1.00 0.00 O ATOM 901 CB VAL A 75 13.276 -11.187 -1.383 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.813 -10.258 -0.293 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.738 -12.627 -1.153 1.00 0.00 C ATOM 0 H VAL A 75 12.106 -9.186 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 75 11.426 -11.958 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 75 13.683 -10.853 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.900 -10.333 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.528 -9.230 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.394 -10.548 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.826 -12.655 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.316 -13.000 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 75 13.401 -13.253 -1.979 1.00 0.00 H new ATOM 913 N ALA A 76 10.899 -10.082 0.540 1.00 0.00 N ATOM 914 CA ALA A 76 10.266 -10.044 1.847 1.00 0.00 C ATOM 915 C ALA A 76 8.820 -10.530 1.723 1.00 0.00 C ATOM 916 O ALA A 76 8.283 -11.135 2.650 1.00 0.00 O ATOM 917 CB ALA A 76 10.358 -8.628 2.419 1.00 0.00 C ATOM 0 H ALA A 76 11.189 -9.173 0.180 1.00 0.00 H new ATOM 0 HA ALA A 76 10.779 -10.709 2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.883 -8.600 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.405 -8.342 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.851 -7.932 1.750 1.00 0.00 H new ATOM 923 N VAL A 77 8.231 -10.247 0.570 1.00 0.00 N ATOM 924 CA VAL A 77 6.859 -10.647 0.313 1.00 0.00 C ATOM 925 C VAL A 77 6.814 -12.151 0.034 1.00 0.00 C ATOM 926 O VAL A 77 5.904 -12.843 0.487 1.00 0.00 O ATOM 927 CB VAL A 77 6.275 -9.810 -0.827 1.00 0.00 C ATOM 928 CG1 VAL A 77 6.141 -10.641 -2.105 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.930 -9.200 -0.426 1.00 0.00 C ATOM 0 H VAL A 77 8.680 -9.745 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 77 6.237 -10.460 1.188 1.00 0.00 H new ATOM 0 HB VAL A 77 6.967 -8.992 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.724 -10.022 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.123 -11.005 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.481 -11.488 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.537 -8.610 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.227 -9.997 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.067 -8.558 0.444 1.00 0.00 H new ATOM 939 N CYS A 78 7.809 -12.612 -0.711 1.00 0.00 N ATOM 940 CA CYS A 78 7.894 -14.021 -1.055 1.00 0.00 C ATOM 941 C CYS A 78 7.914 -14.832 0.242 1.00 0.00 C ATOM 942 O CYS A 78 7.121 -15.757 0.412 1.00 0.00 O ATOM 943 CB CYS A 78 9.113 -14.316 -1.931 1.00 0.00 C ATOM 944 SG CYS A 78 9.147 -13.175 -3.362 1.00 0.00 S ATOM 0 H CYS A 78 8.562 -12.035 -1.085 1.00 0.00 H new ATOM 0 HA CYS A 78 7.025 -14.307 -1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 78 10.026 -14.206 -1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.080 -15.348 -2.279 1.00 0.00 H new ATOM 0 HG CYS A 78 9.415 -11.971 -2.951 1.00 0.00 H new ATOM 950 N GLU A 79 8.829 -14.457 1.123 1.00 0.00 N ATOM 951 CA GLU A 79 8.962 -15.138 2.400 1.00 0.00 C ATOM 952 C GLU A 79 7.773 -14.808 3.304 1.00 0.00 C ATOM 953 O GLU A 79 7.244 -15.686 3.985 1.00 0.00 O ATOM 954 CB GLU A 79 10.284 -14.777 3.079 1.00 0.00 C ATOM 955 CG GLU A 79 10.565 -13.277 2.968 1.00 0.00 C ATOM 956 CD GLU A 79 10.946 -12.689 4.329 1.00 0.00 C ATOM 957 OE1 GLU A 79 12.130 -12.695 4.697 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.962 -12.212 5.012 1.00 0.00 O ATOM 0 H GLU A 79 9.486 -13.690 0.978 1.00 0.00 H new ATOM 0 HA GLU A 79 8.967 -16.213 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.249 -15.067 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.098 -15.338 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.372 -13.106 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.684 -12.766 2.581 1.00 0.00 H new ATOM 966 N GLU A 80 7.387 -13.541 3.282 1.00 0.00 N ATOM 967 CA GLU A 80 6.271 -13.084 4.092 1.00 0.00 C ATOM 968 C GLU A 80 4.989 -13.816 3.689 1.00 0.00 C ATOM 969 O GLU A 80 4.023 -13.848 4.450 1.00 0.00 O ATOM 970 CB GLU A 80 6.095 -11.569 3.979 1.00 0.00 C ATOM 971 CG GLU A 80 4.839 -11.105 4.720 1.00 0.00 C ATOM 972 CD GLU A 80 4.698 -9.583 4.660 1.00 0.00 C ATOM 973 OE1 GLU A 80 5.315 -8.871 5.465 1.00 0.00 O ATOM 974 OE2 GLU A 80 3.912 -9.145 3.735 1.00 0.00 O ATOM 0 H GLU A 80 7.828 -12.816 2.716 1.00 0.00 H new ATOM 0 HA GLU A 80 6.486 -13.314 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.970 -11.066 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.028 -11.285 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.959 -11.573 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.885 -11.429 5.760 1.00 0.00 H new ATOM 982 N LEU A 81 5.021 -14.386 2.493 1.00 0.00 N ATOM 983 CA LEU A 81 3.874 -15.115 1.980 1.00 0.00 C ATOM 984 C LEU A 81 3.880 -16.534 2.552 1.00 0.00 C ATOM 985 O LEU A 81 2.861 -17.222 2.527 1.00 0.00 O ATOM 986 CB LEU A 81 3.850 -15.068 0.451 1.00 0.00 C ATOM 987 CG LEU A 81 3.114 -13.880 -0.171 1.00 0.00 C ATOM 988 CD1 LEU A 81 3.029 -14.024 -1.692 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.735 -13.694 0.465 1.00 0.00 C ATOM 0 H LEU A 81 5.824 -14.357 1.864 1.00 0.00 H new ATOM 0 HA LEU A 81 2.946 -14.644 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.879 -15.062 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.390 -15.986 0.086 1.00 0.00 H new ATOM 0 HG LEU A 81 3.688 -12.977 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.501 -13.167 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.035 -14.070 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.490 -14.938 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.234 -12.843 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.139 -14.593 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.849 -13.513 1.534 1.00 0.00 H new ATOM 1001 N GLY A 82 5.041 -16.931 3.054 1.00 0.00 N ATOM 1002 CA GLY A 82 5.193 -18.256 3.631 1.00 0.00 C ATOM 1003 C GLY A 82 4.302 -19.272 2.914 1.00 0.00 C ATOM 1004 O GLY A 82 3.599 -20.050 3.557 1.00 0.00 O ATOM 0 H GLY A 82 5.885 -16.358 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.235 -18.569 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.938 -18.227 4.690 1.00 0.00 H new ATOM 1008 N ALA A 83 4.360 -19.232 1.591 1.00 0.00 N ATOM 1009 CA ALA A 83 3.567 -20.139 0.779 1.00 0.00 C ATOM 1010 C ALA A 83 4.458 -20.767 -0.294 1.00 0.00 C ATOM 1011 O ALA A 83 5.172 -20.061 -1.004 1.00 0.00 O ATOM 1012 CB ALA A 83 2.378 -19.384 0.181 1.00 0.00 C ATOM 0 H ALA A 83 4.944 -18.585 1.061 1.00 0.00 H new ATOM 0 HA ALA A 83 3.165 -20.948 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.784 -20.065 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.760 -18.983 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.742 -18.566 -0.440 1.00 0.00 H new ATOM 1018 N GLU A 84 4.386 -22.088 -0.380 1.00 0.00 N ATOM 1019 CA GLU A 84 5.177 -22.819 -1.354 1.00 0.00 C ATOM 1020 C GLU A 84 4.359 -23.967 -1.949 1.00 0.00 C ATOM 1021 O GLU A 84 4.916 -24.891 -2.538 1.00 0.00 O ATOM 1022 CB GLU A 84 6.475 -23.336 -0.731 1.00 0.00 C ATOM 1023 CG GLU A 84 7.573 -22.273 -0.790 1.00 0.00 C ATOM 1024 CD GLU A 84 7.377 -21.220 0.303 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.350 -20.016 0.006 1.00 0.00 O ATOM 1026 OE2 GLU A 84 7.249 -21.691 1.497 1.00 0.00 O ATOM 0 H GLU A 84 3.791 -22.670 0.210 1.00 0.00 H new ATOM 0 HA GLU A 84 5.447 -22.136 -2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.296 -23.622 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.803 -24.232 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.548 -22.746 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.566 -21.792 -1.768 1.00 0.00 H new ATOM 1034 N GLU A 85 3.049 -23.871 -1.772 1.00 0.00 N ATOM 1035 CA GLU A 85 2.148 -24.890 -2.284 1.00 0.00 C ATOM 1036 C GLU A 85 0.709 -24.585 -1.864 1.00 0.00 C ATOM 1037 O GLU A 85 0.481 -23.865 -0.893 1.00 0.00 O ATOM 1038 CB GLU A 85 2.573 -26.283 -1.815 1.00 0.00 C ATOM 1039 CG GLU A 85 2.361 -26.442 -0.308 1.00 0.00 C ATOM 1040 CD GLU A 85 3.308 -25.534 0.479 1.00 0.00 C ATOM 1041 OE1 GLU A 85 3.011 -24.345 0.670 1.00 0.00 O ATOM 1042 OE2 GLU A 85 4.387 -26.103 0.898 1.00 0.00 O ATOM 0 H GLU A 85 2.590 -23.103 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 85 2.198 -24.878 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.000 -27.041 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.623 -26.448 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.328 -26.202 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.526 -27.481 -0.022 1.00 0.00 H new ATOM 1050 N CYS A 86 -0.225 -25.149 -2.616 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.636 -24.947 -2.333 1.00 0.00 C ATOM 1052 C CYS A 86 -2.192 -26.233 -1.718 1.00 0.00 C ATOM 1053 O CYS A 86 -2.748 -27.073 -2.424 1.00 0.00 O ATOM 1054 CB CYS A 86 -2.410 -24.533 -3.587 1.00 0.00 C ATOM 1055 SG CYS A 86 -4.207 -24.735 -3.308 1.00 0.00 S ATOM 0 H CYS A 86 -0.032 -25.746 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.754 -24.127 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.187 -23.496 -3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.095 -25.140 -4.436 1.00 0.00 H new ATOM 1060 N PHE A 87 -2.023 -26.346 -0.409 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.501 -27.515 0.309 1.00 0.00 C ATOM 1062 C PHE A 87 -3.993 -27.742 0.055 1.00 0.00 C ATOM 1063 O PHE A 87 -4.476 -28.871 0.138 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.285 -27.244 1.799 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.257 -28.507 2.663 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -3.413 -29.007 3.175 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -1.075 -29.128 2.921 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -3.387 -30.178 3.977 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -1.048 -30.300 3.723 1.00 0.00 C ATOM 1070 CZ PHE A 87 -2.205 -30.800 4.234 1.00 0.00 C ATOM 0 H PHE A 87 -1.562 -25.647 0.173 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.964 -28.402 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.345 -26.707 1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.079 -26.588 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.352 -28.513 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.156 -28.730 2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.306 -30.575 4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.109 -30.794 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.185 -31.691 4.844 1.00 0.00 H new ATOM 1080 N SER A 88 -4.682 -26.652 -0.248 1.00 0.00 N ATOM 1081 CA SER A 88 -6.108 -26.718 -0.515 1.00 0.00 C ATOM 1082 C SER A 88 -6.376 -27.638 -1.708 1.00 0.00 C ATOM 1083 O SER A 88 -7.511 -28.059 -1.929 1.00 0.00 O ATOM 1084 CB SER A 88 -6.685 -25.326 -0.778 1.00 0.00 C ATOM 1085 OG SER A 88 -8.108 -25.342 -0.852 1.00 0.00 O ATOM 0 H SER A 88 -4.279 -25.718 -0.315 1.00 0.00 H new ATOM 0 HA SER A 88 -6.602 -27.125 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.371 -24.648 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.278 -24.935 -1.711 1.00 0.00 H new ATOM 0 HG SER A 88 -8.454 -24.438 -0.699 1.00 0.00 H new ATOM 1091 N CYS A 89 -5.313 -27.922 -2.445 1.00 0.00 N ATOM 1092 CA CYS A 89 -5.419 -28.784 -3.610 1.00 0.00 C ATOM 1093 C CYS A 89 -6.002 -30.126 -3.163 1.00 0.00 C ATOM 1094 O CYS A 89 -6.555 -30.868 -3.974 1.00 0.00 O ATOM 1095 CB CYS A 89 -4.070 -28.954 -4.313 1.00 0.00 C ATOM 1096 SG CYS A 89 -3.913 -27.733 -5.667 1.00 0.00 S ATOM 0 H CYS A 89 -4.374 -27.571 -2.258 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.082 -28.327 -4.344 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -3.258 -28.822 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.983 -29.965 -4.712 1.00 0.00 H new ATOM 1101 N ASP A 90 -5.859 -30.398 -1.874 1.00 0.00 N ATOM 1102 CA ASP A 90 -6.365 -31.638 -1.310 1.00 0.00 C ATOM 1103 C ASP A 90 -7.528 -31.326 -0.367 1.00 0.00 C ATOM 1104 O ASP A 90 -8.243 -32.230 0.063 1.00 0.00 O ATOM 1105 CB ASP A 90 -5.282 -32.358 -0.504 1.00 0.00 C ATOM 1106 CG ASP A 90 -4.071 -32.820 -1.316 1.00 0.00 C ATOM 1107 OD1 ASP A 90 -2.918 -32.532 -0.963 1.00 0.00 O ATOM 1108 OD2 ASP A 90 -4.352 -33.514 -2.367 1.00 0.00 O ATOM 0 H ASP A 90 -5.400 -29.781 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.687 -32.277 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.937 -31.693 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.728 -33.226 -0.019 1.00 0.00 H new ATOM 1114 N PHE A 91 -7.683 -30.044 -0.072 1.00 0.00 N ATOM 1115 CA PHE A 91 -8.747 -29.602 0.812 1.00 0.00 C ATOM 1116 C PHE A 91 -9.977 -29.163 0.014 1.00 0.00 C ATOM 1117 O PHE A 91 -9.970 -28.105 -0.613 1.00 0.00 O ATOM 1118 CB PHE A 91 -8.209 -28.403 1.596 1.00 0.00 C ATOM 1119 CG PHE A 91 -8.822 -28.243 2.988 1.00 0.00 C ATOM 1120 CD1 PHE A 91 -8.314 -28.941 4.039 1.00 0.00 C ATOM 1121 CD2 PHE A 91 -9.876 -27.404 3.175 1.00 0.00 C ATOM 1122 CE1 PHE A 91 -8.883 -28.793 5.332 1.00 0.00 C ATOM 1123 CE2 PHE A 91 -10.446 -27.257 4.468 1.00 0.00 C ATOM 1124 CZ PHE A 91 -9.937 -27.954 5.519 1.00 0.00 C ATOM 0 H PHE A 91 -7.089 -29.297 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.046 -30.418 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.128 -28.503 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.394 -27.495 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.478 -29.608 3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.280 -26.850 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.479 -29.347 6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -11.284 -26.592 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 91 -10.370 -27.841 6.502 1.00 0.00 H new ATOM 1134 N ASP A 92 -11.003 -29.999 0.063 1.00 0.00 N ATOM 1135 CA ASP A 92 -12.238 -29.712 -0.647 1.00 0.00 C ATOM 1136 C ASP A 92 -13.333 -29.364 0.363 1.00 0.00 C ATOM 1137 O ASP A 92 -13.360 -29.907 1.466 1.00 0.00 O ATOM 1138 CB ASP A 92 -12.705 -30.925 -1.453 1.00 0.00 C ATOM 1139 CG ASP A 92 -12.465 -32.279 -0.781 1.00 0.00 C ATOM 1140 OD1 ASP A 92 -13.307 -32.771 -0.016 1.00 0.00 O ATOM 1141 OD2 ASP A 92 -11.342 -32.842 -1.075 1.00 0.00 O ATOM 0 H ASP A 92 -11.005 -30.876 0.584 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.051 -28.880 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.771 -30.820 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.196 -30.919 -2.417 1.00 0.00 H new TER 1147 ASP A 92 HETATM 1148 ZN ZN A 101 -5.197 -25.674 -5.342 1.00 0.00 ZN