USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 30:sc= 0.723 USER MOD Single : A 3 SER OG : rot 20:sc= 0.153 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.975 K(o=-0.97,f=-3.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0849 USER MOD Single : A 27 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -150:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.34 X(o=0.34,f=-0.011) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.91 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.44) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 119:sc= 0.174 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0741 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.105 47.200 20.082 1.00 0.00 N ATOM 2 CA GLY A 1 19.800 46.582 19.932 1.00 0.00 C ATOM 3 C GLY A 1 19.515 46.170 18.502 1.00 0.00 C ATOM 4 O GLY A 1 19.536 47.000 17.593 1.00 0.00 O ATOM 0 H1 GLY A 1 21.252 47.464 21.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.843 46.528 19.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.156 48.052 19.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.740 45.706 20.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.031 47.278 20.266 1.00 0.00 H new ATOM 8 N SER A 2 19.248 44.883 18.301 1.00 0.00 N ATOM 9 CA SER A 2 18.962 44.361 16.970 1.00 0.00 C ATOM 10 C SER A 2 18.401 42.944 17.051 1.00 0.00 C ATOM 11 O SER A 2 19.107 42.005 17.419 1.00 0.00 O ATOM 12 CB SER A 2 20.229 44.371 16.112 1.00 0.00 C ATOM 13 OG SER A 2 21.221 43.518 16.656 1.00 0.00 O ATOM 0 H SER A 2 19.224 44.183 19.043 1.00 0.00 H new ATOM 0 HA SER A 2 18.213 45.004 16.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.988 44.052 15.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.617 45.387 16.043 1.00 0.00 H new ATOM 0 HG SER A 2 20.790 42.780 17.136 1.00 0.00 H new ATOM 19 N SER A 3 17.126 42.799 16.706 1.00 0.00 N ATOM 20 CA SER A 3 16.468 41.498 16.743 1.00 0.00 C ATOM 21 C SER A 3 15.503 41.344 15.570 1.00 0.00 C ATOM 22 O SER A 3 14.704 42.235 15.288 1.00 0.00 O ATOM 23 CB SER A 3 15.715 41.321 18.063 1.00 0.00 C ATOM 24 OG SER A 3 14.601 42.194 18.136 1.00 0.00 O ATOM 0 H SER A 3 16.528 43.566 16.398 1.00 0.00 H new ATOM 0 HA SER A 3 17.235 40.728 16.664 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.379 40.289 18.158 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.388 41.515 18.898 1.00 0.00 H new ATOM 0 HG SER A 3 14.357 42.489 17.234 1.00 0.00 H new ATOM 30 N GLY A 4 15.586 40.204 14.890 1.00 0.00 N ATOM 31 CA GLY A 4 14.716 39.953 13.756 1.00 0.00 C ATOM 32 C GLY A 4 15.439 39.274 12.610 1.00 0.00 C ATOM 33 O GLY A 4 15.234 39.618 11.446 1.00 0.00 O ATOM 0 H GLY A 4 16.240 39.451 15.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.880 39.330 14.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.296 40.897 13.408 1.00 0.00 H new ATOM 37 N SER A 5 16.290 38.307 12.939 1.00 0.00 N ATOM 38 CA SER A 5 17.051 37.582 11.928 1.00 0.00 C ATOM 39 C SER A 5 16.502 36.171 11.743 1.00 0.00 C ATOM 40 O SER A 5 17.031 35.209 12.299 1.00 0.00 O ATOM 41 CB SER A 5 18.529 37.519 12.320 1.00 0.00 C ATOM 42 OG SER A 5 19.304 36.926 11.292 1.00 0.00 O ATOM 0 H SER A 5 16.470 38.008 13.897 1.00 0.00 H new ATOM 0 HA SER A 5 16.955 38.117 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.898 38.524 12.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.640 36.946 13.240 1.00 0.00 H new ATOM 0 HG SER A 5 20.245 36.899 11.566 1.00 0.00 H new ATOM 48 N SER A 6 15.436 36.056 10.957 1.00 0.00 N ATOM 49 CA SER A 6 14.811 34.764 10.701 1.00 0.00 C ATOM 50 C SER A 6 14.092 34.766 9.355 1.00 0.00 C ATOM 51 O SER A 6 13.188 35.567 9.122 1.00 0.00 O ATOM 52 CB SER A 6 13.824 34.420 11.818 1.00 0.00 C ATOM 53 OG SER A 6 13.129 33.218 11.533 1.00 0.00 O ATOM 0 H SER A 6 14.987 36.842 10.487 1.00 0.00 H new ATOM 0 HA SER A 6 15.596 34.008 10.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.359 34.319 12.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.111 35.235 11.941 1.00 0.00 H new ATOM 0 HG SER A 6 12.506 33.020 12.263 1.00 0.00 H new ATOM 59 N GLY A 7 14.503 33.861 8.471 1.00 0.00 N ATOM 60 CA GLY A 7 13.889 33.775 7.158 1.00 0.00 C ATOM 61 C GLY A 7 12.857 32.668 7.073 1.00 0.00 C ATOM 62 O GLY A 7 13.057 31.563 7.578 1.00 0.00 O ATOM 0 H GLY A 7 15.249 33.187 8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.416 34.727 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.662 33.605 6.409 1.00 0.00 H new ATOM 66 N PRO A 8 11.722 32.961 6.422 1.00 0.00 N ATOM 67 CA PRO A 8 10.631 31.995 6.258 1.00 0.00 C ATOM 68 C PRO A 8 10.999 30.861 5.307 1.00 0.00 C ATOM 69 O PRO A 8 10.917 31.010 4.087 1.00 0.00 O ATOM 70 CB PRO A 8 9.496 32.838 5.671 1.00 0.00 C ATOM 71 CG PRO A 8 10.180 33.971 4.987 1.00 0.00 C ATOM 72 CD PRO A 8 11.415 34.258 5.795 1.00 0.00 C ATOM 0 HA PRO A 8 10.375 31.506 7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.894 32.259 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.823 33.195 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.437 33.709 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.532 34.847 4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.235 34.604 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.236 35.033 6.541 1.00 0.00 H new ATOM 80 N CYS A 9 11.404 29.730 5.872 1.00 0.00 N ATOM 81 CA CYS A 9 11.785 28.570 5.074 1.00 0.00 C ATOM 82 C CYS A 9 10.707 28.239 4.047 1.00 0.00 C ATOM 83 O CYS A 9 9.608 27.810 4.402 1.00 0.00 O ATOM 84 CB CYS A 9 12.034 27.362 5.978 1.00 0.00 C ATOM 85 SG CYS A 9 12.851 25.977 5.151 1.00 0.00 S ATOM 0 H CYS A 9 11.477 29.591 6.880 1.00 0.00 H new ATOM 0 HA CYS A 9 12.705 28.812 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.643 27.676 6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 9 11.080 27.020 6.380 1.00 0.00 H new ATOM 0 HG CYS A 9 13.020 25.005 5.997 1.00 0.00 H new ATOM 91 N TYR A 10 11.027 28.441 2.774 1.00 0.00 N ATOM 92 CA TYR A 10 10.084 28.168 1.696 1.00 0.00 C ATOM 93 C TYR A 10 10.412 26.846 1.008 1.00 0.00 C ATOM 94 O TYR A 10 11.576 26.538 0.756 1.00 0.00 O ATOM 95 CB TYR A 10 10.102 29.306 0.674 1.00 0.00 C ATOM 96 CG TYR A 10 11.169 29.151 -0.386 1.00 0.00 C ATOM 97 CD1 TYR A 10 12.507 29.385 -0.092 1.00 0.00 C ATOM 98 CD2 TYR A 10 10.840 28.772 -1.681 1.00 0.00 C ATOM 99 CE1 TYR A 10 13.486 29.246 -1.057 1.00 0.00 C ATOM 100 CE2 TYR A 10 11.812 28.629 -2.652 1.00 0.00 C ATOM 101 CZ TYR A 10 13.133 28.867 -2.336 1.00 0.00 C ATOM 102 OH TYR A 10 14.104 28.727 -3.301 1.00 0.00 O ATOM 0 H TYR A 10 11.932 28.793 2.463 1.00 0.00 H new ATOM 0 HA TYR A 10 9.087 28.094 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 10 9.127 29.364 0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.255 30.250 1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.786 29.681 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.806 28.586 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.521 29.433 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.539 28.332 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 10 13.689 28.454 -4.146 1.00 0.00 H new ATOM 112 N GLU A 11 9.375 26.070 0.707 1.00 0.00 N ATOM 113 CA GLU A 11 9.552 24.782 0.048 1.00 0.00 C ATOM 114 C GLU A 11 8.233 24.281 -0.532 1.00 0.00 C ATOM 115 O GLU A 11 7.266 24.061 0.197 1.00 0.00 O ATOM 116 CB GLU A 11 10.112 23.753 1.033 1.00 0.00 C ATOM 117 CG GLU A 11 9.263 23.580 2.281 1.00 0.00 C ATOM 118 CD GLU A 11 9.852 22.577 3.253 1.00 0.00 C ATOM 119 OE1 GLU A 11 10.823 22.931 3.954 1.00 0.00 O ATOM 120 OE2 GLU A 11 9.342 21.439 3.313 1.00 0.00 O ATOM 0 H GLU A 11 8.405 26.311 0.909 1.00 0.00 H new ATOM 0 HA GLU A 11 10.261 24.916 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.201 22.791 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.118 24.054 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.156 24.543 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.262 23.257 1.993 1.00 0.00 H new ATOM 127 N ASN A 12 8.201 24.105 -1.849 1.00 0.00 N ATOM 128 CA ASN A 12 7.000 23.631 -2.528 1.00 0.00 C ATOM 129 C ASN A 12 7.196 22.213 -3.055 1.00 0.00 C ATOM 130 O ASN A 12 7.583 22.015 -4.207 1.00 0.00 O ATOM 131 CB ASN A 12 6.637 24.570 -3.680 1.00 0.00 C ATOM 132 CG ASN A 12 6.597 26.024 -3.250 1.00 0.00 C ATOM 133 OD1 ASN A 12 7.508 26.509 -2.579 1.00 0.00 O ATOM 134 ND2 ASN A 12 5.539 26.727 -3.637 1.00 0.00 N ATOM 0 H ASN A 12 8.992 24.283 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 12 6.184 23.621 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.363 24.452 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.665 24.286 -4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.458 27.710 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.807 26.284 -4.193 1.00 0.00 H new ATOM 141 N LYS A 13 6.926 21.229 -2.205 1.00 0.00 N ATOM 142 CA LYS A 13 7.070 19.828 -2.584 1.00 0.00 C ATOM 143 C LYS A 13 5.851 19.020 -2.154 1.00 0.00 C ATOM 144 O LYS A 13 5.391 19.128 -1.017 1.00 0.00 O ATOM 145 CB LYS A 13 8.335 19.237 -1.956 1.00 0.00 C ATOM 146 CG LYS A 13 8.577 17.785 -2.330 1.00 0.00 C ATOM 147 CD LYS A 13 7.916 16.837 -1.344 1.00 0.00 C ATOM 148 CE LYS A 13 8.687 16.770 -0.034 1.00 0.00 C ATOM 149 NZ LYS A 13 7.800 16.441 1.116 1.00 0.00 N ATOM 0 H LYS A 13 6.606 21.376 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 13 7.152 19.777 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.195 19.831 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.264 19.317 -0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.190 17.597 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.649 17.590 -2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.895 17.165 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.853 15.841 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.473 16.019 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.178 17.726 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.363 16.405 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.065 17.171 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.351 15.517 0.955 1.00 0.00 H new ATOM 163 N PHE A 14 5.332 18.208 -3.070 1.00 0.00 N ATOM 164 CA PHE A 14 4.165 17.381 -2.785 1.00 0.00 C ATOM 165 C PHE A 14 4.375 15.955 -3.286 1.00 0.00 C ATOM 166 O PHE A 14 4.347 15.698 -4.489 1.00 0.00 O ATOM 167 CB PHE A 14 2.916 17.983 -3.432 1.00 0.00 C ATOM 168 CG PHE A 14 2.373 19.173 -2.694 1.00 0.00 C ATOM 169 CD1 PHE A 14 1.871 19.039 -1.410 1.00 0.00 C ATOM 170 CD2 PHE A 14 2.365 20.426 -3.286 1.00 0.00 C ATOM 171 CE1 PHE A 14 1.371 20.132 -0.728 1.00 0.00 C ATOM 172 CE2 PHE A 14 1.866 21.523 -2.609 1.00 0.00 C ATOM 173 CZ PHE A 14 1.368 21.376 -1.329 1.00 0.00 C ATOM 0 H PHE A 14 5.701 18.105 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 14 4.026 17.351 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.152 18.277 -4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.142 17.218 -3.491 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.870 18.069 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.753 20.547 -4.287 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.983 20.014 0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.865 22.495 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.977 22.232 -0.799 1.00 0.00 H new ATOM 183 N ALA A 15 4.584 15.031 -2.354 1.00 0.00 N ATOM 184 CA ALA A 15 4.797 13.631 -2.699 1.00 0.00 C ATOM 185 C ALA A 15 3.900 12.719 -1.870 1.00 0.00 C ATOM 186 O ALA A 15 3.539 13.028 -0.734 1.00 0.00 O ATOM 187 CB ALA A 15 6.259 13.256 -2.506 1.00 0.00 C ATOM 0 H ALA A 15 4.610 15.227 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 15 4.535 13.497 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.403 12.208 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.882 13.879 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.540 13.412 -1.465 1.00 0.00 H new ATOM 193 N PRO A 16 3.530 11.566 -2.448 1.00 0.00 N ATOM 194 CA PRO A 16 2.671 10.585 -1.779 1.00 0.00 C ATOM 195 C PRO A 16 3.377 9.890 -0.620 1.00 0.00 C ATOM 196 O PRO A 16 4.601 9.755 -0.619 1.00 0.00 O ATOM 197 CB PRO A 16 2.349 9.581 -2.889 1.00 0.00 C ATOM 198 CG PRO A 16 3.486 9.694 -3.844 1.00 0.00 C ATOM 199 CD PRO A 16 3.923 11.133 -3.799 1.00 0.00 C ATOM 0 HA PRO A 16 1.790 11.050 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.263 8.569 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.401 9.816 -3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.302 9.029 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.180 9.410 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.997 11.232 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.432 11.727 -4.570 1.00 0.00 H new ATOM 207 N ARG A 17 2.598 9.452 0.363 1.00 0.00 N ATOM 208 CA ARG A 17 3.150 8.771 1.529 1.00 0.00 C ATOM 209 C ARG A 17 2.364 7.501 1.840 1.00 0.00 C ATOM 210 O ARG A 17 1.136 7.479 1.746 1.00 0.00 O ATOM 211 CB ARG A 17 3.138 9.702 2.743 1.00 0.00 C ATOM 212 CG ARG A 17 3.888 11.004 2.519 1.00 0.00 C ATOM 213 CD ARG A 17 4.219 11.690 3.836 1.00 0.00 C ATOM 214 NE ARG A 17 4.984 12.918 3.637 1.00 0.00 N ATOM 215 CZ ARG A 17 4.428 14.117 3.507 1.00 0.00 C ATOM 216 NH1 ARG A 17 3.109 14.249 3.555 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.191 15.188 3.328 1.00 0.00 N ATOM 0 H ARG A 17 1.583 9.556 0.376 1.00 0.00 H new ATOM 0 HA ARG A 17 4.180 8.494 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.105 9.928 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.577 9.181 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.808 10.805 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.286 11.671 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.295 11.921 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.787 11.007 4.467 1.00 0.00 H new ATOM 0 HE ARG A 17 6.001 12.851 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.519 13.428 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.685 15.171 3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.206 15.091 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.763 16.108 3.228 1.00 0.00 H new ATOM 231 N CYS A 18 3.079 6.444 2.210 1.00 0.00 N ATOM 232 CA CYS A 18 2.449 5.170 2.534 1.00 0.00 C ATOM 233 C CYS A 18 1.194 5.381 3.375 1.00 0.00 C ATOM 234 O CYS A 18 1.243 6.002 4.436 1.00 0.00 O ATOM 235 CB CYS A 18 3.432 4.267 3.283 1.00 0.00 C ATOM 236 SG CYS A 18 2.777 2.612 3.667 1.00 0.00 S ATOM 0 H CYS A 18 4.096 6.445 2.293 1.00 0.00 H new ATOM 0 HA CYS A 18 2.162 4.688 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.337 4.158 2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.722 4.756 4.213 1.00 0.00 H new ATOM 241 N ALA A 19 0.071 4.860 2.892 1.00 0.00 N ATOM 242 CA ALA A 19 -1.197 4.990 3.600 1.00 0.00 C ATOM 243 C ALA A 19 -1.120 4.357 4.985 1.00 0.00 C ATOM 244 O ALA A 19 -1.969 4.607 5.841 1.00 0.00 O ATOM 245 CB ALA A 19 -2.320 4.358 2.791 1.00 0.00 C ATOM 0 H ALA A 19 0.013 4.344 2.014 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.407 6.052 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.261 4.462 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.399 4.858 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.106 3.301 2.636 1.00 0.00 H new ATOM 251 N ARG A 20 -0.097 3.536 5.199 1.00 0.00 N ATOM 252 CA ARG A 20 0.090 2.865 6.481 1.00 0.00 C ATOM 253 C ARG A 20 0.994 3.685 7.396 1.00 0.00 C ATOM 254 O ARG A 20 0.570 4.144 8.457 1.00 0.00 O ATOM 255 CB ARG A 20 0.687 1.473 6.270 1.00 0.00 C ATOM 256 CG ARG A 20 1.158 0.812 7.554 1.00 0.00 C ATOM 257 CD ARG A 20 -0.012 0.300 8.380 1.00 0.00 C ATOM 258 NE ARG A 20 -0.744 1.386 9.025 1.00 0.00 N ATOM 259 CZ ARG A 20 -1.671 1.197 9.957 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.978 -0.032 10.351 1.00 0.00 N ATOM 261 NH2 ARG A 20 -2.293 2.237 10.497 1.00 0.00 N ATOM 0 H ARG A 20 0.615 3.319 4.502 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.886 2.765 6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.059 0.835 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.528 1.548 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.825 -0.016 7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.735 1.526 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.690 -0.263 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.355 -0.391 9.139 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.532 2.343 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.502 -0.834 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.690 -0.175 11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.059 3.183 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.005 2.090 11.213 1.00 0.00 H new ATOM 275 N CYS A 21 2.243 3.865 6.979 1.00 0.00 N ATOM 276 CA CYS A 21 3.208 4.628 7.761 1.00 0.00 C ATOM 277 C CYS A 21 3.138 6.112 7.414 1.00 0.00 C ATOM 278 O CYS A 21 3.287 6.971 8.283 1.00 0.00 O ATOM 279 CB CYS A 21 4.624 4.102 7.515 1.00 0.00 C ATOM 280 SG CYS A 21 4.705 2.313 7.181 1.00 0.00 S ATOM 0 H CYS A 21 2.610 3.492 6.103 1.00 0.00 H new ATOM 0 HA CYS A 21 2.960 4.508 8.816 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.058 4.638 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.240 4.326 8.386 1.00 0.00 H new ATOM 285 N SER A 22 2.909 6.406 6.138 1.00 0.00 N ATOM 286 CA SER A 22 2.822 7.786 5.675 1.00 0.00 C ATOM 287 C SER A 22 4.163 8.497 5.831 1.00 0.00 C ATOM 288 O SER A 22 4.236 9.595 6.382 1.00 0.00 O ATOM 289 CB SER A 22 1.739 8.539 6.450 1.00 0.00 C ATOM 290 OG SER A 22 1.308 9.686 5.740 1.00 0.00 O ATOM 0 H SER A 22 2.780 5.707 5.406 1.00 0.00 H new ATOM 0 HA SER A 22 2.559 7.773 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.891 7.879 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.125 8.835 7.425 1.00 0.00 H new ATOM 0 HG SER A 22 0.615 10.149 6.256 1.00 0.00 H new ATOM 296 N LYS A 23 5.222 7.862 5.341 1.00 0.00 N ATOM 297 CA LYS A 23 6.562 8.432 5.423 1.00 0.00 C ATOM 298 C LYS A 23 6.896 9.219 4.161 1.00 0.00 C ATOM 299 O LYS A 23 6.883 10.451 4.162 1.00 0.00 O ATOM 300 CB LYS A 23 7.597 7.325 5.636 1.00 0.00 C ATOM 301 CG LYS A 23 7.324 6.463 6.857 1.00 0.00 C ATOM 302 CD LYS A 23 7.649 7.202 8.145 1.00 0.00 C ATOM 303 CE LYS A 23 9.151 7.311 8.360 1.00 0.00 C ATOM 304 NZ LYS A 23 9.482 8.158 9.539 1.00 0.00 N ATOM 0 H LYS A 23 5.179 6.952 4.883 1.00 0.00 H new ATOM 0 HA LYS A 23 6.589 9.114 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.623 6.689 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.584 7.776 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.277 6.161 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.918 5.551 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.211 8.200 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.196 6.681 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.571 6.315 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.616 7.732 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.515 8.208 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.103 9.116 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.060 7.743 10.394 1.00 0.00 H new ATOM 318 N THR A 24 7.196 8.501 3.082 1.00 0.00 N ATOM 319 CA THR A 24 7.534 9.133 1.813 1.00 0.00 C ATOM 320 C THR A 24 7.619 8.103 0.692 1.00 0.00 C ATOM 321 O THR A 24 8.051 6.970 0.907 1.00 0.00 O ATOM 322 CB THR A 24 8.872 9.891 1.901 1.00 0.00 C ATOM 323 OG1 THR A 24 9.749 9.231 2.821 1.00 0.00 O ATOM 324 CG2 THR A 24 8.651 11.329 2.346 1.00 0.00 C ATOM 0 H THR A 24 7.212 7.481 3.062 1.00 0.00 H new ATOM 0 HA THR A 24 6.737 9.843 1.591 1.00 0.00 H new ATOM 0 HB THR A 24 9.325 9.900 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.598 9.718 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.610 11.844 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.007 11.837 1.628 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.178 11.337 3.328 1.00 0.00 H new ATOM 332 N LEU A 25 7.204 8.504 -0.505 1.00 0.00 N ATOM 333 CA LEU A 25 7.234 7.615 -1.661 1.00 0.00 C ATOM 334 C LEU A 25 7.804 8.330 -2.882 1.00 0.00 C ATOM 335 O LEU A 25 7.082 9.016 -3.607 1.00 0.00 O ATOM 336 CB LEU A 25 5.827 7.098 -1.969 1.00 0.00 C ATOM 337 CG LEU A 25 5.207 6.176 -0.919 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.698 6.358 -0.873 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.562 4.724 -1.208 1.00 0.00 C ATOM 0 H LEU A 25 6.843 9.438 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 25 7.880 6.770 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.168 7.956 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.857 6.565 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 25 5.614 6.442 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.274 5.694 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.464 7.392 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.273 6.119 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.112 4.082 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.183 4.446 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.645 4.604 -1.189 1.00 0.00 H new ATOM 351 N THR A 26 9.103 8.162 -3.107 1.00 0.00 N ATOM 352 CA THR A 26 9.770 8.790 -4.241 1.00 0.00 C ATOM 353 C THR A 26 10.209 7.750 -5.265 1.00 0.00 C ATOM 354 O THR A 26 9.822 7.814 -6.432 1.00 0.00 O ATOM 355 CB THR A 26 10.999 9.601 -3.791 1.00 0.00 C ATOM 356 OG1 THR A 26 11.861 8.783 -2.993 1.00 0.00 O ATOM 357 CG2 THR A 26 10.577 10.828 -2.995 1.00 0.00 C ATOM 0 H THR A 26 9.715 7.596 -2.519 1.00 0.00 H new ATOM 0 HA THR A 26 9.047 9.465 -4.699 1.00 0.00 H new ATOM 0 HB THR A 26 11.534 9.931 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.641 9.306 -2.712 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.462 11.385 -2.688 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.945 11.464 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.021 10.515 -2.111 1.00 0.00 H new ATOM 365 N GLN A 27 11.018 6.794 -4.821 1.00 0.00 N ATOM 366 CA GLN A 27 11.509 5.740 -5.701 1.00 0.00 C ATOM 367 C GLN A 27 11.006 4.373 -5.247 1.00 0.00 C ATOM 368 O GLN A 27 11.107 4.023 -4.072 1.00 0.00 O ATOM 369 CB GLN A 27 13.038 5.748 -5.737 1.00 0.00 C ATOM 370 CG GLN A 27 13.626 6.999 -6.368 1.00 0.00 C ATOM 371 CD GLN A 27 14.994 6.760 -6.974 1.00 0.00 C ATOM 372 OE1 GLN A 27 15.421 5.617 -7.142 1.00 0.00 O ATOM 373 NE2 GLN A 27 15.692 7.840 -7.307 1.00 0.00 N ATOM 0 H GLN A 27 11.347 6.727 -3.858 1.00 0.00 H new ATOM 0 HA GLN A 27 11.128 5.932 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.417 5.652 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.384 4.875 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.949 7.364 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.699 7.782 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.300 8.769 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.620 7.741 -7.719 1.00 0.00 H new ATOM 382 N GLY A 28 10.464 3.605 -6.188 1.00 0.00 N ATOM 383 CA GLY A 28 9.953 2.286 -5.864 1.00 0.00 C ATOM 384 C GLY A 28 8.748 2.340 -4.947 1.00 0.00 C ATOM 385 O GLY A 28 8.884 2.263 -3.727 1.00 0.00 O ATOM 0 H GLY A 28 10.370 3.873 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.682 1.769 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.741 1.701 -5.389 1.00 0.00 H new ATOM 389 N GLY A 29 7.563 2.474 -5.536 1.00 0.00 N ATOM 390 CA GLY A 29 6.346 2.538 -4.748 1.00 0.00 C ATOM 391 C GLY A 29 5.152 1.956 -5.478 1.00 0.00 C ATOM 392 O GLY A 29 5.211 1.709 -6.683 1.00 0.00 O ATOM 0 H GLY A 29 7.425 2.539 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.494 1.999 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.139 3.576 -4.489 1.00 0.00 H new ATOM 396 N VAL A 30 4.063 1.735 -4.748 1.00 0.00 N ATOM 397 CA VAL A 30 2.850 1.178 -5.333 1.00 0.00 C ATOM 398 C VAL A 30 1.606 1.859 -4.771 1.00 0.00 C ATOM 399 O VAL A 30 1.699 2.731 -3.906 1.00 0.00 O ATOM 400 CB VAL A 30 2.750 -0.338 -5.081 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.748 -1.090 -5.948 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.970 -0.649 -3.608 1.00 0.00 C ATOM 0 H VAL A 30 3.997 1.934 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 30 2.905 1.357 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 30 1.747 -0.669 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.663 -2.160 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.539 -0.892 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.759 -0.758 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.896 -1.725 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.960 -0.305 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.212 -0.141 -3.012 1.00 0.00 H new ATOM 412 N THR A 31 0.441 1.454 -5.268 1.00 0.00 N ATOM 413 CA THR A 31 -0.821 2.025 -4.817 1.00 0.00 C ATOM 414 C THR A 31 -1.902 0.955 -4.713 1.00 0.00 C ATOM 415 O THR A 31 -2.171 0.235 -5.675 1.00 0.00 O ATOM 416 CB THR A 31 -1.306 3.138 -5.765 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.433 3.812 -5.194 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.685 2.565 -7.122 1.00 0.00 C ATOM 0 H THR A 31 0.346 0.733 -5.983 1.00 0.00 H new ATOM 0 HA THR A 31 -0.640 2.452 -3.831 1.00 0.00 H new ATOM 0 HB THR A 31 -0.491 3.848 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.734 4.519 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.024 3.369 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.817 2.079 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.486 1.836 -6.998 1.00 0.00 H new ATOM 426 N TYR A 32 -2.520 0.857 -3.541 1.00 0.00 N ATOM 427 CA TYR A 32 -3.572 -0.127 -3.312 1.00 0.00 C ATOM 428 C TYR A 32 -4.891 0.556 -2.965 1.00 0.00 C ATOM 429 O TYR A 32 -4.977 1.308 -1.994 1.00 0.00 O ATOM 430 CB TYR A 32 -3.168 -1.083 -2.188 1.00 0.00 C ATOM 431 CG TYR A 32 -4.340 -1.792 -1.546 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.988 -2.834 -2.198 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.799 -1.419 -0.289 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.059 -3.484 -1.616 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.868 -2.064 0.301 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.495 -3.096 -0.366 1.00 0.00 C ATOM 437 OH TYR A 32 -7.562 -3.740 0.218 1.00 0.00 O ATOM 0 H TYR A 32 -2.311 1.446 -2.735 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.710 -0.695 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.477 -1.827 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.629 -0.524 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.649 -3.141 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.311 -0.611 0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.552 -4.291 -2.137 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.211 -1.762 1.279 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.740 -3.346 1.097 1.00 0.00 H new ATOM 447 N ARG A 33 -5.917 0.288 -3.766 1.00 0.00 N ATOM 448 CA ARG A 33 -7.233 0.876 -3.545 1.00 0.00 C ATOM 449 C ARG A 33 -7.176 2.396 -3.670 1.00 0.00 C ATOM 450 O ARG A 33 -7.584 3.119 -2.761 1.00 0.00 O ATOM 451 CB ARG A 33 -7.764 0.487 -2.164 1.00 0.00 C ATOM 452 CG ARG A 33 -8.357 -0.912 -2.113 1.00 0.00 C ATOM 453 CD ARG A 33 -9.260 -1.089 -0.902 1.00 0.00 C ATOM 454 NE ARG A 33 -10.639 -0.699 -1.186 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.123 0.515 -0.947 1.00 0.00 C ATOM 456 NH1 ARG A 33 -10.344 1.452 -0.424 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.388 0.794 -1.233 1.00 0.00 N ATOM 0 H ARG A 33 -5.862 -0.332 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.909 0.490 -4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.953 0.556 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.524 1.206 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.926 -1.101 -3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.554 -1.648 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.236 -2.131 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.878 -0.492 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.264 -1.397 -1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.370 1.242 -0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.718 2.383 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.990 0.076 -1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.759 1.726 -1.049 1.00 0.00 H new ATOM 471 N ASP A 34 -6.667 2.873 -4.800 1.00 0.00 N ATOM 472 CA ASP A 34 -6.558 4.307 -5.045 1.00 0.00 C ATOM 473 C ASP A 34 -5.819 4.998 -3.903 1.00 0.00 C ATOM 474 O ASP A 34 -6.145 6.125 -3.533 1.00 0.00 O ATOM 475 CB ASP A 34 -7.946 4.924 -5.218 1.00 0.00 C ATOM 476 CG ASP A 34 -8.475 4.774 -6.631 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.878 5.367 -7.554 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.484 4.063 -6.814 1.00 0.00 O ATOM 0 H ASP A 34 -6.323 2.288 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.989 4.452 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.639 4.452 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.905 5.982 -4.959 1.00 0.00 H new ATOM 483 N GLN A 35 -4.824 4.313 -3.348 1.00 0.00 N ATOM 484 CA GLN A 35 -4.041 4.861 -2.247 1.00 0.00 C ATOM 485 C GLN A 35 -2.598 4.372 -2.309 1.00 0.00 C ATOM 486 O GLN A 35 -2.319 3.229 -2.671 1.00 0.00 O ATOM 487 CB GLN A 35 -4.666 4.471 -0.906 1.00 0.00 C ATOM 488 CG GLN A 35 -6.052 5.057 -0.688 1.00 0.00 C ATOM 489 CD GLN A 35 -6.583 4.794 0.708 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.193 3.756 0.967 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.355 5.736 1.616 1.00 0.00 N ATOM 0 H GLN A 35 -4.541 3.378 -3.643 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.042 5.947 -2.339 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.726 3.384 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.010 4.800 -0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.020 6.132 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.740 4.635 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.845 6.581 1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.690 5.615 2.572 1.00 0.00 H new ATOM 500 N PRO A 36 -1.657 5.258 -1.950 1.00 0.00 N ATOM 501 CA PRO A 36 -0.226 4.939 -1.956 1.00 0.00 C ATOM 502 C PRO A 36 0.152 3.945 -0.863 1.00 0.00 C ATOM 503 O PRO A 36 -0.155 4.154 0.311 1.00 0.00 O ATOM 504 CB PRO A 36 0.440 6.293 -1.702 1.00 0.00 C ATOM 505 CG PRO A 36 -0.587 7.089 -0.973 1.00 0.00 C ATOM 506 CD PRO A 36 -1.917 6.638 -1.508 1.00 0.00 C ATOM 0 HA PRO A 36 0.082 4.465 -2.888 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.349 6.182 -1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.725 6.776 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.521 6.920 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.442 8.157 -1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.692 6.675 -0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.253 7.267 -2.332 1.00 0.00 H new ATOM 514 N TRP A 37 0.819 2.866 -1.256 1.00 0.00 N ATOM 515 CA TRP A 37 1.239 1.841 -0.308 1.00 0.00 C ATOM 516 C TRP A 37 2.704 1.473 -0.517 1.00 0.00 C ATOM 517 O TRP A 37 3.203 1.487 -1.643 1.00 0.00 O ATOM 518 CB TRP A 37 0.362 0.595 -0.451 1.00 0.00 C ATOM 519 CG TRP A 37 -0.922 0.682 0.317 1.00 0.00 C ATOM 520 CD1 TRP A 37 -2.028 1.411 -0.015 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.232 0.017 1.547 1.00 0.00 C ATOM 522 NE1 TRP A 37 -3.006 1.239 0.935 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.543 0.388 1.902 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.530 -0.858 2.381 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.164 -0.085 3.055 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.147 -1.326 3.525 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.453 -0.940 3.854 1.00 0.00 C ATOM 0 H TRP A 37 1.080 2.678 -2.224 1.00 0.00 H new ATOM 0 HA TRP A 37 1.125 2.244 0.698 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.136 0.437 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.922 -0.276 -0.111 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.120 2.031 -0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.928 1.675 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.477 -1.163 2.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.171 0.212 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.613 -2.001 4.177 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.908 -1.324 4.755 1.00 0.00 H new ATOM 538 N HIS A 38 3.389 1.143 0.573 1.00 0.00 N ATOM 539 CA HIS A 38 4.797 0.771 0.508 1.00 0.00 C ATOM 540 C HIS A 38 4.962 -0.635 -0.061 1.00 0.00 C ATOM 541 O HIS A 38 4.463 -1.607 0.506 1.00 0.00 O ATOM 542 CB HIS A 38 5.432 0.849 1.897 1.00 0.00 C ATOM 543 CG HIS A 38 6.017 2.191 2.214 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.975 2.752 3.473 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.662 3.084 1.427 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.567 3.932 3.446 1.00 0.00 C ATOM 547 NE2 HIS A 38 6.993 4.157 2.217 1.00 0.00 N ATOM 0 H HIS A 38 2.991 1.126 1.512 1.00 0.00 H new ATOM 0 HA HIS A 38 5.302 1.474 -0.154 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.679 0.604 2.646 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.214 0.094 1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.876 2.973 0.374 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.683 4.600 4.287 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.488 4.993 1.905 1.00 0.00 H new ATOM 555 N ARG A 39 5.663 -0.735 -1.185 1.00 0.00 N ATOM 556 CA ARG A 39 5.891 -2.021 -1.832 1.00 0.00 C ATOM 557 C ARG A 39 6.092 -3.123 -0.796 1.00 0.00 C ATOM 558 O ARG A 39 5.613 -4.243 -0.967 1.00 0.00 O ATOM 559 CB ARG A 39 7.111 -1.944 -2.753 1.00 0.00 C ATOM 560 CG ARG A 39 6.899 -1.059 -3.971 1.00 0.00 C ATOM 561 CD ARG A 39 7.723 -1.538 -5.157 1.00 0.00 C ATOM 562 NE ARG A 39 7.869 -0.501 -6.175 1.00 0.00 N ATOM 563 CZ ARG A 39 7.147 -0.459 -7.290 1.00 0.00 C ATOM 564 NH1 ARG A 39 6.234 -1.391 -7.528 1.00 0.00 N ATOM 565 NH2 ARG A 39 7.339 0.516 -8.169 1.00 0.00 N ATOM 0 H ARG A 39 6.083 0.060 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 39 5.010 -2.261 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.962 -1.568 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.369 -2.950 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.842 -1.054 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.172 -0.032 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.709 -1.849 -4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.249 -2.415 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 39 8.563 0.231 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.085 -2.142 -6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.681 -1.356 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.041 1.234 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.785 0.548 -9.025 1.00 0.00 H new ATOM 579 N GLU A 40 6.803 -2.795 0.278 1.00 0.00 N ATOM 580 CA GLU A 40 7.068 -3.758 1.341 1.00 0.00 C ATOM 581 C GLU A 40 5.831 -3.961 2.212 1.00 0.00 C ATOM 582 O GLU A 40 5.453 -5.092 2.518 1.00 0.00 O ATOM 583 CB GLU A 40 8.241 -3.289 2.204 1.00 0.00 C ATOM 584 CG GLU A 40 8.022 -1.926 2.840 1.00 0.00 C ATOM 585 CD GLU A 40 9.288 -1.357 3.452 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.075 -2.142 4.022 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.492 -0.129 3.360 1.00 0.00 O ATOM 0 H GLU A 40 7.206 -1.871 0.435 1.00 0.00 H new ATOM 0 HA GLU A 40 7.325 -4.710 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.419 -4.023 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.141 -3.254 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.644 -1.234 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.255 -2.008 3.611 1.00 0.00 H new ATOM 594 N CYS A 41 5.206 -2.857 2.607 1.00 0.00 N ATOM 595 CA CYS A 41 4.013 -2.912 3.443 1.00 0.00 C ATOM 596 C CYS A 41 2.899 -3.692 2.751 1.00 0.00 C ATOM 597 O CYS A 41 2.345 -4.637 3.314 1.00 0.00 O ATOM 598 CB CYS A 41 3.531 -1.498 3.774 1.00 0.00 C ATOM 599 SG CYS A 41 4.584 -0.614 4.969 1.00 0.00 S ATOM 0 H CYS A 41 5.506 -1.913 2.362 1.00 0.00 H new ATOM 0 HA CYS A 41 4.272 -3.426 4.368 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.480 -0.918 2.852 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.518 -1.555 4.171 1.00 0.00 H new ATOM 604 N LEU A 42 2.575 -3.290 1.527 1.00 0.00 N ATOM 605 CA LEU A 42 1.528 -3.950 0.756 1.00 0.00 C ATOM 606 C LEU A 42 1.725 -5.463 0.754 1.00 0.00 C ATOM 607 O LEU A 42 2.396 -6.011 -0.120 1.00 0.00 O ATOM 608 CB LEU A 42 1.515 -3.424 -0.681 1.00 0.00 C ATOM 609 CG LEU A 42 0.385 -3.938 -1.574 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.954 -3.389 -1.109 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.642 -3.564 -3.026 1.00 0.00 C ATOM 0 H LEU A 42 3.023 -2.509 1.047 1.00 0.00 H new ATOM 0 HA LEU A 42 0.570 -3.727 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.459 -2.336 -0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.466 -3.680 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 42 0.354 -5.025 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.746 -3.765 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.141 -3.707 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.936 -2.300 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.172 -3.938 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.700 -2.479 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.582 -4.007 -3.355 1.00 0.00 H new ATOM 623 N VAL A 43 1.133 -6.133 1.738 1.00 0.00 N ATOM 624 CA VAL A 43 1.240 -7.583 1.848 1.00 0.00 C ATOM 625 C VAL A 43 -0.089 -8.202 2.264 1.00 0.00 C ATOM 626 O VAL A 43 -0.925 -7.546 2.886 1.00 0.00 O ATOM 627 CB VAL A 43 2.325 -7.990 2.863 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.660 -7.358 2.500 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.907 -7.600 4.273 1.00 0.00 C ATOM 0 H VAL A 43 0.574 -5.695 2.470 1.00 0.00 H new ATOM 0 HA VAL A 43 1.518 -7.956 0.862 1.00 0.00 H new ATOM 0 HB VAL A 43 2.442 -9.073 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.414 -7.657 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.962 -7.691 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.562 -6.272 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.685 -7.895 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.761 -6.521 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.975 -8.105 4.529 1.00 0.00 H new ATOM 639 N CYS A 44 -0.278 -9.471 1.918 1.00 0.00 N ATOM 640 CA CYS A 44 -1.506 -10.181 2.256 1.00 0.00 C ATOM 641 C CYS A 44 -1.781 -10.110 3.755 1.00 0.00 C ATOM 642 O CYS A 44 -0.857 -10.124 4.569 1.00 0.00 O ATOM 643 CB CYS A 44 -1.413 -11.643 1.812 1.00 0.00 C ATOM 644 SG CYS A 44 -2.903 -12.626 2.174 1.00 0.00 S ATOM 0 H CYS A 44 0.404 -10.029 1.404 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.331 -9.700 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.222 -11.674 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.557 -12.107 2.302 1.00 0.00 H new ATOM 649 N THR A 45 -3.059 -10.032 4.114 1.00 0.00 N ATOM 650 CA THR A 45 -3.457 -9.958 5.514 1.00 0.00 C ATOM 651 C THR A 45 -3.658 -11.349 6.103 1.00 0.00 C ATOM 652 O THR A 45 -4.328 -11.511 7.122 1.00 0.00 O ATOM 653 CB THR A 45 -4.755 -9.146 5.687 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.749 -8.019 4.804 1.00 0.00 O ATOM 655 CG2 THR A 45 -4.908 -8.670 7.123 1.00 0.00 C ATOM 0 H THR A 45 -3.836 -10.018 3.454 1.00 0.00 H new ATOM 0 HA THR A 45 -2.649 -9.455 6.046 1.00 0.00 H new ATOM 0 HB THR A 45 -5.598 -9.793 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.264 -7.288 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.831 -8.099 7.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.942 -9.531 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.061 -8.038 7.389 1.00 0.00 H new ATOM 663 N GLY A 46 -3.073 -12.352 5.455 1.00 0.00 N ATOM 664 CA GLY A 46 -3.200 -13.717 5.931 1.00 0.00 C ATOM 665 C GLY A 46 -1.866 -14.433 6.001 1.00 0.00 C ATOM 666 O GLY A 46 -1.500 -14.978 7.043 1.00 0.00 O ATOM 0 H GLY A 46 -2.514 -12.243 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.659 -13.713 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.870 -14.268 5.271 1.00 0.00 H new ATOM 670 N CYS A 47 -1.138 -14.434 4.890 1.00 0.00 N ATOM 671 CA CYS A 47 0.162 -15.091 4.827 1.00 0.00 C ATOM 672 C CYS A 47 1.291 -14.065 4.855 1.00 0.00 C ATOM 673 O CYS A 47 2.464 -14.422 4.964 1.00 0.00 O ATOM 674 CB CYS A 47 0.265 -15.945 3.563 1.00 0.00 C ATOM 675 SG CYS A 47 0.000 -15.020 2.016 1.00 0.00 S ATOM 0 H CYS A 47 -1.426 -13.987 4.020 1.00 0.00 H new ATOM 0 HA CYS A 47 0.258 -15.736 5.701 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.250 -16.410 3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.466 -16.751 3.622 1.00 0.00 H new ATOM 680 N GLN A 48 0.928 -12.790 4.756 1.00 0.00 N ATOM 681 CA GLN A 48 1.910 -11.713 4.769 1.00 0.00 C ATOM 682 C GLN A 48 2.842 -11.812 3.565 1.00 0.00 C ATOM 683 O GLN A 48 4.064 -11.855 3.714 1.00 0.00 O ATOM 684 CB GLN A 48 2.724 -11.752 6.063 1.00 0.00 C ATOM 685 CG GLN A 48 1.935 -11.325 7.291 1.00 0.00 C ATOM 686 CD GLN A 48 1.735 -9.824 7.362 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.548 -9.104 7.943 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.648 -9.342 6.770 1.00 0.00 N ATOM 0 H GLN A 48 -0.039 -12.478 4.666 1.00 0.00 H new ATOM 0 HA GLN A 48 1.374 -10.766 4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.099 -12.764 6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.593 -11.103 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.963 -11.817 7.283 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.455 -11.661 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.001 -9.974 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.461 -8.339 6.786 1.00 0.00 H new ATOM 697 N THR A 49 2.258 -11.847 2.372 1.00 0.00 N ATOM 698 CA THR A 49 3.035 -11.942 1.143 1.00 0.00 C ATOM 699 C THR A 49 2.932 -10.659 0.326 1.00 0.00 C ATOM 700 O THR A 49 1.871 -10.043 0.225 1.00 0.00 O ATOM 701 CB THR A 49 2.572 -13.128 0.275 1.00 0.00 C ATOM 702 OG1 THR A 49 3.537 -13.391 -0.750 1.00 0.00 O ATOM 703 CG2 THR A 49 1.219 -12.840 -0.357 1.00 0.00 C ATOM 0 H THR A 49 1.248 -11.811 2.231 1.00 0.00 H new ATOM 0 HA THR A 49 4.073 -12.100 1.437 1.00 0.00 H new ATOM 0 HB THR A 49 2.476 -14.004 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.236 -14.147 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.913 -13.691 -0.965 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.480 -12.669 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.293 -11.953 -0.986 1.00 0.00 H new ATOM 711 N PRO A 50 4.059 -10.246 -0.273 1.00 0.00 N ATOM 712 CA PRO A 50 4.120 -9.032 -1.093 1.00 0.00 C ATOM 713 C PRO A 50 3.360 -9.181 -2.406 1.00 0.00 C ATOM 714 O PRO A 50 3.780 -9.921 -3.297 1.00 0.00 O ATOM 715 CB PRO A 50 5.618 -8.858 -1.357 1.00 0.00 C ATOM 716 CG PRO A 50 6.185 -10.230 -1.239 1.00 0.00 C ATOM 717 CD PRO A 50 5.360 -10.931 -0.196 1.00 0.00 C ATOM 0 HA PRO A 50 3.660 -8.179 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.799 -8.438 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.071 -8.179 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.137 -10.755 -2.193 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.235 -10.195 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.266 -11.996 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.804 -10.840 0.795 1.00 0.00 H new ATOM 725 N LEU A 51 2.242 -8.474 -2.521 1.00 0.00 N ATOM 726 CA LEU A 51 1.423 -8.527 -3.727 1.00 0.00 C ATOM 727 C LEU A 51 1.953 -7.566 -4.787 1.00 0.00 C ATOM 728 O LEU A 51 1.313 -7.347 -5.816 1.00 0.00 O ATOM 729 CB LEU A 51 -0.031 -8.188 -3.396 1.00 0.00 C ATOM 730 CG LEU A 51 -0.613 -8.868 -2.156 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.663 -7.981 -1.505 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.206 -10.221 -2.520 1.00 0.00 C ATOM 0 H LEU A 51 1.881 -7.857 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 51 1.471 -9.541 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.111 -7.109 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.649 -8.452 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 51 0.193 -9.028 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.066 -8.481 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.208 -7.036 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.468 -7.790 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.616 -10.691 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.000 -10.085 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.428 -10.858 -2.941 1.00 0.00 H new ATOM 744 N ALA A 52 3.126 -6.998 -4.530 1.00 0.00 N ATOM 745 CA ALA A 52 3.744 -6.065 -5.464 1.00 0.00 C ATOM 746 C ALA A 52 3.742 -6.625 -6.883 1.00 0.00 C ATOM 747 O ALA A 52 4.571 -7.464 -7.230 1.00 0.00 O ATOM 748 CB ALA A 52 5.164 -5.740 -5.025 1.00 0.00 C ATOM 0 H ALA A 52 3.668 -7.168 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 52 3.156 -5.147 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.613 -5.042 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.144 -5.289 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.754 -6.656 -4.995 1.00 0.00 H new ATOM 754 N GLY A 53 2.803 -6.154 -7.698 1.00 0.00 N ATOM 755 CA GLY A 53 2.711 -6.621 -9.070 1.00 0.00 C ATOM 756 C GLY A 53 2.157 -8.028 -9.167 1.00 0.00 C ATOM 757 O GLY A 53 2.537 -8.791 -10.055 1.00 0.00 O ATOM 0 H GLY A 53 2.105 -5.459 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.075 -5.943 -9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.700 -6.591 -9.528 1.00 0.00 H new ATOM 761 N GLN A 54 1.258 -8.374 -8.251 1.00 0.00 N ATOM 762 CA GLN A 54 0.653 -9.701 -8.237 1.00 0.00 C ATOM 763 C GLN A 54 -0.869 -9.605 -8.225 1.00 0.00 C ATOM 764 O GLN A 54 -1.434 -8.627 -7.737 1.00 0.00 O ATOM 765 CB GLN A 54 1.137 -10.491 -7.020 1.00 0.00 C ATOM 766 CG GLN A 54 0.328 -11.751 -6.753 1.00 0.00 C ATOM 767 CD GLN A 54 1.145 -12.836 -6.079 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.050 -13.413 -6.681 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.828 -13.120 -4.821 1.00 0.00 N ATOM 0 H GLN A 54 0.933 -7.754 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 54 0.958 -10.222 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.182 -10.764 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.095 -9.849 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.528 -11.503 -6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.067 -12.131 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.070 -12.617 -4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.343 -13.841 -4.316 1.00 0.00 H new ATOM 778 N GLN A 55 -1.525 -10.627 -8.765 1.00 0.00 N ATOM 779 CA GLN A 55 -2.982 -10.657 -8.817 1.00 0.00 C ATOM 780 C GLN A 55 -3.568 -11.013 -7.455 1.00 0.00 C ATOM 781 O GLN A 55 -3.295 -12.084 -6.911 1.00 0.00 O ATOM 782 CB GLN A 55 -3.455 -11.662 -9.868 1.00 0.00 C ATOM 783 CG GLN A 55 -3.644 -11.055 -11.249 1.00 0.00 C ATOM 784 CD GLN A 55 -4.601 -9.880 -11.244 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.203 -8.739 -11.484 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.872 -10.151 -10.970 1.00 0.00 N ATOM 0 H GLN A 55 -1.071 -11.445 -9.172 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.331 -9.662 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.731 -12.474 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.398 -12.101 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.678 -10.730 -11.634 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.017 -11.820 -11.930 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.159 -11.111 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.561 -9.399 -10.953 1.00 0.00 H new ATOM 795 N PHE A 56 -4.374 -10.110 -6.908 1.00 0.00 N ATOM 796 CA PHE A 56 -4.998 -10.328 -5.608 1.00 0.00 C ATOM 797 C PHE A 56 -6.354 -9.632 -5.531 1.00 0.00 C ATOM 798 O PHE A 56 -6.792 -8.993 -6.489 1.00 0.00 O ATOM 799 CB PHE A 56 -4.087 -9.820 -4.489 1.00 0.00 C ATOM 800 CG PHE A 56 -3.905 -8.329 -4.495 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.810 -7.505 -3.843 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.831 -7.751 -5.151 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.645 -6.133 -3.848 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.661 -6.379 -5.158 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.569 -5.569 -4.505 1.00 0.00 C ATOM 0 H PHE A 56 -4.611 -9.219 -7.345 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.152 -11.400 -5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.502 -10.124 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.111 -10.298 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.652 -7.940 -3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.118 -8.380 -5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.358 -5.502 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.819 -5.941 -5.674 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.438 -4.497 -4.508 1.00 0.00 H new ATOM 815 N THR A 57 -7.014 -9.760 -4.384 1.00 0.00 N ATOM 816 CA THR A 57 -8.320 -9.145 -4.182 1.00 0.00 C ATOM 817 C THR A 57 -8.414 -8.494 -2.806 1.00 0.00 C ATOM 818 O THR A 57 -7.670 -8.847 -1.890 1.00 0.00 O ATOM 819 CB THR A 57 -9.455 -10.176 -4.328 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.722 -9.543 -4.120 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.283 -11.315 -3.334 1.00 0.00 C ATOM 0 H THR A 57 -6.666 -10.284 -3.581 1.00 0.00 H new ATOM 0 HA THR A 57 -8.432 -8.381 -4.951 1.00 0.00 H new ATOM 0 HB THR A 57 -9.415 -10.586 -5.337 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.438 -10.205 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.096 -12.030 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.331 -11.814 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.299 -10.918 -2.319 1.00 0.00 H new ATOM 829 N SER A 58 -9.332 -7.543 -2.668 1.00 0.00 N ATOM 830 CA SER A 58 -9.520 -6.841 -1.404 1.00 0.00 C ATOM 831 C SER A 58 -10.827 -7.263 -0.738 1.00 0.00 C ATOM 832 O SER A 58 -11.848 -7.436 -1.403 1.00 0.00 O ATOM 833 CB SER A 58 -9.516 -5.328 -1.632 1.00 0.00 C ATOM 834 OG SER A 58 -10.450 -4.960 -2.632 1.00 0.00 O ATOM 0 H SER A 58 -9.957 -7.241 -3.415 1.00 0.00 H new ATOM 0 HA SER A 58 -8.694 -7.104 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.756 -4.816 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.518 -5.004 -1.926 1.00 0.00 H new ATOM 0 HG SER A 58 -10.429 -3.988 -2.757 1.00 0.00 H new ATOM 840 N ARG A 59 -10.785 -7.426 0.580 1.00 0.00 N ATOM 841 CA ARG A 59 -11.964 -7.829 1.338 1.00 0.00 C ATOM 842 C ARG A 59 -12.040 -7.079 2.664 1.00 0.00 C ATOM 843 O ARG A 59 -11.057 -6.999 3.401 1.00 0.00 O ATOM 844 CB ARG A 59 -11.942 -9.337 1.593 1.00 0.00 C ATOM 845 CG ARG A 59 -13.276 -9.895 2.060 1.00 0.00 C ATOM 846 CD ARG A 59 -14.146 -10.315 0.886 1.00 0.00 C ATOM 847 NE ARG A 59 -15.504 -10.652 1.304 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.295 -11.482 0.633 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.865 -12.057 -0.482 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.519 -11.739 1.077 1.00 0.00 N ATOM 0 H ARG A 59 -9.948 -7.285 1.145 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.846 -7.580 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.645 -9.848 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.182 -9.559 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.105 -10.751 2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.799 -9.143 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.182 -9.508 0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.695 -11.175 0.390 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.865 -10.227 2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.925 -11.862 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.474 -12.694 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.853 -11.299 1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.125 -12.376 0.561 1.00 0.00 H new ATOM 864 N ASP A 60 -13.213 -6.530 2.961 1.00 0.00 N ATOM 865 CA ASP A 60 -13.418 -5.787 4.199 1.00 0.00 C ATOM 866 C ASP A 60 -12.279 -4.800 4.435 1.00 0.00 C ATOM 867 O ASP A 60 -11.819 -4.629 5.563 1.00 0.00 O ATOM 868 CB ASP A 60 -13.531 -6.748 5.384 1.00 0.00 C ATOM 869 CG ASP A 60 -14.484 -7.895 5.110 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.575 -7.641 4.558 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.139 -9.046 5.448 1.00 0.00 O ATOM 0 H ASP A 60 -14.036 -6.586 2.361 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.348 -5.226 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.545 -7.147 5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.871 -6.199 6.262 1.00 0.00 H new ATOM 876 N GLU A 61 -11.830 -4.155 3.363 1.00 0.00 N ATOM 877 CA GLU A 61 -10.743 -3.187 3.455 1.00 0.00 C ATOM 878 C GLU A 61 -9.438 -3.870 3.853 1.00 0.00 C ATOM 879 O GLU A 61 -8.709 -3.384 4.717 1.00 0.00 O ATOM 880 CB GLU A 61 -11.089 -2.094 4.468 1.00 0.00 C ATOM 881 CG GLU A 61 -12.401 -1.385 4.176 1.00 0.00 C ATOM 882 CD GLU A 61 -12.406 0.054 4.654 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.328 0.685 4.645 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.486 0.549 5.036 1.00 0.00 O ATOM 0 H GLU A 61 -12.201 -4.285 2.422 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.610 -2.734 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.138 -2.536 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.285 -1.359 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.591 -1.408 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.217 -1.926 4.656 1.00 0.00 H new ATOM 891 N ASP A 62 -9.151 -5.000 3.216 1.00 0.00 N ATOM 892 CA ASP A 62 -7.934 -5.751 3.501 1.00 0.00 C ATOM 893 C ASP A 62 -7.462 -6.512 2.266 1.00 0.00 C ATOM 894 O ASP A 62 -8.185 -7.330 1.698 1.00 0.00 O ATOM 895 CB ASP A 62 -8.169 -6.725 4.657 1.00 0.00 C ATOM 896 CG ASP A 62 -8.117 -6.042 6.009 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.008 -5.662 6.440 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.186 -5.888 6.637 1.00 0.00 O ATOM 0 H ASP A 62 -9.745 -5.416 2.499 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.158 -5.041 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.140 -7.205 4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.417 -7.514 4.622 1.00 0.00 H new ATOM 903 N PRO A 63 -6.221 -6.236 1.839 1.00 0.00 N ATOM 904 CA PRO A 63 -5.625 -6.883 0.667 1.00 0.00 C ATOM 905 C PRO A 63 -5.319 -8.357 0.912 1.00 0.00 C ATOM 906 O PRO A 63 -4.413 -8.695 1.674 1.00 0.00 O ATOM 907 CB PRO A 63 -4.330 -6.097 0.448 1.00 0.00 C ATOM 908 CG PRO A 63 -3.990 -5.545 1.789 1.00 0.00 C ATOM 909 CD PRO A 63 -5.303 -5.271 2.469 1.00 0.00 C ATOM 0 HA PRO A 63 -6.297 -6.871 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.535 -6.741 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.469 -5.301 -0.284 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.394 -6.254 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.400 -4.633 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.237 -5.423 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.630 -4.243 2.312 1.00 0.00 H new ATOM 917 N TYR A 64 -6.079 -9.230 0.260 1.00 0.00 N ATOM 918 CA TYR A 64 -5.890 -10.668 0.409 1.00 0.00 C ATOM 919 C TYR A 64 -5.496 -11.306 -0.920 1.00 0.00 C ATOM 920 O TYR A 64 -6.137 -11.076 -1.946 1.00 0.00 O ATOM 921 CB TYR A 64 -7.168 -11.319 0.942 1.00 0.00 C ATOM 922 CG TYR A 64 -7.374 -11.123 2.426 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.714 -11.923 3.351 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.228 -10.137 2.905 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.900 -11.747 4.709 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.419 -9.953 4.260 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.753 -10.761 5.158 1.00 0.00 C ATOM 928 OH TYR A 64 -7.940 -10.582 6.510 1.00 0.00 O ATOM 0 H TYR A 64 -6.831 -8.967 -0.377 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.083 -10.831 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.025 -10.909 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.139 -12.387 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.044 -12.695 3.003 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.752 -9.503 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.380 -12.378 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.086 -9.181 4.615 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.570 -9.846 6.659 1.00 0.00 H new ATOM 938 N CYS A 65 -4.439 -12.110 -0.892 1.00 0.00 N ATOM 939 CA CYS A 65 -3.957 -12.783 -2.093 1.00 0.00 C ATOM 940 C CYS A 65 -4.930 -13.873 -2.532 1.00 0.00 C ATOM 941 O CYS A 65 -5.697 -14.399 -1.725 1.00 0.00 O ATOM 942 CB CYS A 65 -2.574 -13.388 -1.844 1.00 0.00 C ATOM 943 SG CYS A 65 -2.603 -14.947 -0.902 1.00 0.00 S ATOM 0 H CYS A 65 -3.899 -12.312 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.884 -12.043 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.088 -13.565 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.963 -12.663 -1.307 1.00 0.00 H new ATOM 948 N VAL A 66 -4.893 -14.209 -3.818 1.00 0.00 N ATOM 949 CA VAL A 66 -5.770 -15.237 -4.365 1.00 0.00 C ATOM 950 C VAL A 66 -5.669 -16.529 -3.562 1.00 0.00 C ATOM 951 O VAL A 66 -6.666 -17.217 -3.346 1.00 0.00 O ATOM 952 CB VAL A 66 -5.435 -15.534 -5.839 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.349 -16.620 -6.386 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.539 -14.267 -6.674 1.00 0.00 C ATOM 0 H VAL A 66 -4.265 -13.784 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.788 -14.852 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.408 -15.895 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.098 -16.816 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.219 -17.532 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.386 -16.291 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.299 -14.495 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.554 -13.874 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.839 -13.523 -6.295 1.00 0.00 H new ATOM 964 N ALA A 67 -4.457 -16.853 -3.122 1.00 0.00 N ATOM 965 CA ALA A 67 -4.226 -18.061 -2.341 1.00 0.00 C ATOM 966 C ALA A 67 -5.001 -18.023 -1.028 1.00 0.00 C ATOM 967 O ALA A 67 -5.418 -19.059 -0.511 1.00 0.00 O ATOM 968 CB ALA A 67 -2.739 -18.241 -2.073 1.00 0.00 C ATOM 0 H ALA A 67 -3.620 -16.295 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.585 -18.912 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.582 -19.148 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.206 -18.323 -3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.363 -17.382 -1.518 1.00 0.00 H new ATOM 974 N CYS A 68 -5.189 -16.821 -0.493 1.00 0.00 N ATOM 975 CA CYS A 68 -5.913 -16.647 0.761 1.00 0.00 C ATOM 976 C CYS A 68 -7.409 -16.486 0.508 1.00 0.00 C ATOM 977 O CYS A 68 -8.231 -17.154 1.135 1.00 0.00 O ATOM 978 CB CYS A 68 -5.379 -15.429 1.517 1.00 0.00 C ATOM 979 SG CYS A 68 -3.910 -15.773 2.538 1.00 0.00 S ATOM 0 H CYS A 68 -4.850 -15.953 -0.908 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.759 -17.540 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.134 -14.647 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.169 -15.037 2.157 1.00 0.00 H new ATOM 984 N PHE A 69 -7.755 -15.595 -0.416 1.00 0.00 N ATOM 985 CA PHE A 69 -9.152 -15.346 -0.753 1.00 0.00 C ATOM 986 C PHE A 69 -9.911 -16.657 -0.932 1.00 0.00 C ATOM 987 O PHE A 69 -10.971 -16.859 -0.341 1.00 0.00 O ATOM 988 CB PHE A 69 -9.249 -14.509 -2.030 1.00 0.00 C ATOM 989 CG PHE A 69 -10.659 -14.297 -2.502 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.480 -13.371 -1.879 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.163 -15.024 -3.568 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.779 -13.174 -2.311 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.460 -14.831 -4.005 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.269 -13.906 -3.375 1.00 0.00 C ATOM 0 H PHE A 69 -7.087 -15.034 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.605 -14.794 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.783 -13.539 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.680 -14.999 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.101 -12.796 -1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.535 -15.750 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.409 -12.449 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.840 -15.403 -4.838 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.283 -13.755 -3.714 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.359 -17.546 -1.753 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.997 -18.827 -1.996 1.00 0.00 C ATOM 1006 C GLY A 70 -9.594 -19.878 -0.981 1.00 0.00 C ATOM 1007 O GLY A 70 -9.600 -21.072 -1.279 1.00 0.00 O ATOM 0 H GLY A 70 -8.482 -17.402 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.079 -18.700 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.738 -19.174 -2.996 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.242 -19.433 0.221 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.831 -20.345 1.283 1.00 0.00 C ATOM 1013 C GLU A 71 -9.497 -19.974 2.605 1.00 0.00 C ATOM 1014 O GLU A 71 -9.832 -20.845 3.410 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.310 -20.326 1.442 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.594 -21.339 0.565 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.170 -22.736 0.697 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.404 -23.174 1.842 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -7.387 -23.390 -0.345 1.00 0.00 O ATOM 0 H GLU A 71 -9.233 -18.448 0.484 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.147 -21.351 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.941 -19.328 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.060 -20.520 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.656 -21.021 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.537 -21.360 0.829 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.684 -18.678 2.824 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.309 -18.190 4.049 1.00 0.00 C ATOM 1028 C LEU A 72 -11.806 -17.981 3.850 1.00 0.00 C ATOM 1029 O LEU A 72 -12.626 -18.636 4.494 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.653 -16.881 4.493 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.270 -17.006 5.131 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.220 -17.312 4.074 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -7.914 -15.734 5.886 1.00 0.00 C ATOM 0 H LEU A 72 -9.412 -17.945 2.169 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.166 -18.942 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.573 -16.226 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.316 -16.389 5.204 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.292 -17.832 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.242 -17.397 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.466 -18.251 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.199 -16.508 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.926 -15.841 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.910 -14.890 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.650 -15.558 6.670 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.157 -17.065 2.953 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.556 -16.770 2.669 1.00 0.00 C ATOM 1047 C PHE A 73 -14.218 -17.931 1.931 1.00 0.00 C ATOM 1048 O PHE A 73 -15.345 -18.316 2.241 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.671 -15.491 1.838 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.774 -14.384 2.313 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -12.952 -13.821 3.566 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.752 -13.908 1.508 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.128 -12.802 4.006 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -10.924 -12.890 1.942 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.112 -12.337 3.194 1.00 0.00 C ATOM 0 H PHE A 73 -11.491 -16.514 2.411 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.071 -16.625 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.433 -15.720 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.704 -15.145 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -13.743 -14.182 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.600 -14.338 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.279 -12.370 4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.132 -12.528 1.304 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.466 -11.543 3.537 1.00 0.00 H new ATOM 1065 N ALA A 74 -13.508 -18.483 0.952 1.00 0.00 N ATOM 1066 CA ALA A 74 -14.024 -19.600 0.171 1.00 0.00 C ATOM 1067 C ALA A 74 -14.372 -20.783 1.068 1.00 0.00 C ATOM 1068 O ALA A 74 -15.443 -21.377 0.941 1.00 0.00 O ATOM 1069 CB ALA A 74 -13.013 -20.016 -0.887 1.00 0.00 C ATOM 0 H ALA A 74 -12.574 -18.175 0.681 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.938 -19.273 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.412 -20.851 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.818 -19.176 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.084 -20.319 -0.404 1.00 0.00 H new ATOM 1075 N SER A 75 -13.460 -21.121 1.974 1.00 0.00 N ATOM 1076 CA SER A 75 -13.669 -22.237 2.889 1.00 0.00 C ATOM 1077 C SER A 75 -14.709 -21.884 3.948 1.00 0.00 C ATOM 1078 O SER A 75 -15.606 -22.673 4.240 1.00 0.00 O ATOM 1079 CB SER A 75 -12.351 -22.626 3.562 1.00 0.00 C ATOM 1080 OG SER A 75 -11.460 -23.218 2.633 1.00 0.00 O ATOM 0 H SER A 75 -12.570 -20.638 2.094 1.00 0.00 H new ATOM 0 HA SER A 75 -14.038 -23.084 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.889 -21.742 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.547 -23.322 4.377 1.00 0.00 H new ATOM 0 HG SER A 75 -10.650 -22.671 2.563 1.00 0.00 H new ATOM 1086 N GLY A 76 -14.580 -20.690 4.520 1.00 0.00 N ATOM 1087 CA GLY A 76 -15.515 -20.252 5.540 1.00 0.00 C ATOM 1088 C GLY A 76 -14.819 -19.641 6.739 1.00 0.00 C ATOM 1089 O GLY A 76 -13.950 -20.254 7.359 1.00 0.00 O ATOM 0 H GLY A 76 -13.845 -20.019 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -16.201 -19.522 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.116 -21.101 5.866 1.00 0.00 H new ATOM 1093 N PRO A 77 -15.201 -18.401 7.082 1.00 0.00 N ATOM 1094 CA PRO A 77 -14.619 -17.679 8.217 1.00 0.00 C ATOM 1095 C PRO A 77 -15.026 -18.281 9.558 1.00 0.00 C ATOM 1096 O PRO A 77 -16.206 -18.533 9.803 1.00 0.00 O ATOM 1097 CB PRO A 77 -15.190 -16.267 8.069 1.00 0.00 C ATOM 1098 CG PRO A 77 -16.462 -16.450 7.316 1.00 0.00 C ATOM 1099 CD PRO A 77 -16.231 -17.610 6.388 1.00 0.00 C ATOM 0 HA PRO A 77 -13.530 -17.716 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -15.368 -15.808 9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -14.501 -15.616 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.291 -16.652 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.718 -15.549 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -17.143 -18.187 6.231 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -15.890 -17.278 5.407 1.00 0.00 H new ATOM 1107 N SER A 78 -14.043 -18.508 10.423 1.00 0.00 N ATOM 1108 CA SER A 78 -14.299 -19.083 11.738 1.00 0.00 C ATOM 1109 C SER A 78 -15.266 -18.212 12.533 1.00 0.00 C ATOM 1110 O SER A 78 -16.305 -18.682 12.996 1.00 0.00 O ATOM 1111 CB SER A 78 -12.989 -19.246 12.510 1.00 0.00 C ATOM 1112 OG SER A 78 -12.351 -20.468 12.181 1.00 0.00 O ATOM 0 H SER A 78 -13.061 -18.302 10.237 1.00 0.00 H new ATOM 0 HA SER A 78 -14.753 -20.064 11.596 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.324 -18.413 12.284 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.188 -19.213 13.581 1.00 0.00 H new ATOM 0 HG SER A 78 -11.515 -20.547 12.687 1.00 0.00 H new ATOM 1118 N SER A 79 -14.917 -16.938 12.687 1.00 0.00 N ATOM 1119 CA SER A 79 -15.751 -16.001 13.429 1.00 0.00 C ATOM 1120 C SER A 79 -15.525 -14.572 12.945 1.00 0.00 C ATOM 1121 O SER A 79 -14.397 -14.173 12.658 1.00 0.00 O ATOM 1122 CB SER A 79 -15.455 -16.097 14.927 1.00 0.00 C ATOM 1123 OG SER A 79 -15.670 -17.413 15.405 1.00 0.00 O ATOM 0 H SER A 79 -14.062 -16.532 12.307 1.00 0.00 H new ATOM 0 HA SER A 79 -16.794 -16.265 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.423 -15.802 15.117 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.091 -15.400 15.472 1.00 0.00 H new ATOM 0 HG SER A 79 -15.473 -17.449 16.364 1.00 0.00 H new ATOM 1129 N GLY A 80 -16.607 -13.805 12.857 1.00 0.00 N ATOM 1130 CA GLY A 80 -16.507 -12.429 12.407 1.00 0.00 C ATOM 1131 C GLY A 80 -17.208 -11.461 13.340 1.00 0.00 C ATOM 1132 O GLY A 80 -16.820 -11.364 14.504 1.00 0.00 O ATOM 0 H GLY A 80 -17.552 -14.112 13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.456 -12.153 12.325 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.938 -12.344 11.410 1.00 0.00 H new TER 1136 GLY A 80 HETATM 1137 ZN ZN A 201 4.465 1.692 4.966 1.00 0.00 ZN HETATM 1138 ZN ZN A 401 -2.204 -14.747 1.370 1.00 0.00 ZN