USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.467 K(o=1.5,f=0.89) USER MOD Set 1.2: A 26 TYR OH : rot 180:sc= 0.994 USER MOD Single : A 1 THR N :NH3+ -106:sc= 1.14 (180deg=0.0184) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.315 USER MOD Single : A 5 THR OG1 : rot 14:sc= -0.0414! USER MOD Single : A 6 MET CE :methyl -176:sc= 0 (180deg=-0.00601) USER MOD Single : A 9 ASN : amide:sc= -0.382 K(o=-0.38,f=-11!) USER MOD Single : A 13 GLN : amide:sc= -0.34 K(o=-0.34,f=-5!) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 0.259 (180deg=-2.02!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 150:sc= 1.11 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 146:sc= 1.08 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00928 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 55:sc= -0.2 USER MOD Single : A 44 THR OG1 : rot 161:sc= 1.05 USER MOD Single : A 47 TYR OH : rot 21:sc= 0.0537 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= 1.96 (180deg=0.466!) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= -0.537! (180deg=-0.675!) USER MOD Single : A 53 TYR OH : rot 151:sc= 0.929 USER MOD Single : A 59 THR OG1 : rot -82:sc= 0.288 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 6.825 9.946 9.157 1.00 0.00 N ATOM 2 CA THR A 1 6.494 8.666 8.557 1.00 0.00 C ATOM 3 C THR A 1 7.827 8.164 8.017 1.00 0.00 C ATOM 4 O THR A 1 8.778 8.933 8.056 1.00 0.00 O ATOM 5 CB THR A 1 5.444 8.919 7.449 1.00 0.00 C ATOM 6 OG1 THR A 1 5.275 10.332 7.363 1.00 0.00 O ATOM 7 CG2 THR A 1 4.106 8.238 7.776 1.00 0.00 C ATOM 0 H1 THR A 1 6.817 9.856 10.193 1.00 0.00 H new ATOM 0 H2 THR A 1 7.771 10.243 8.843 1.00 0.00 H new ATOM 0 H3 THR A 1 6.125 10.657 8.866 1.00 0.00 H new ATOM 0 HA THR A 1 6.058 7.930 9.233 1.00 0.00 H new ATOM 0 HB THR A 1 5.783 8.500 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.616 10.541 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.392 8.436 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.258 7.163 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.718 8.631 8.715 1.00 0.00 H new ATOM 17 N ALA A 2 7.855 6.903 7.540 1.00 0.00 N ATOM 18 CA ALA A 2 9.104 6.355 7.008 1.00 0.00 C ATOM 19 C ALA A 2 8.802 5.272 5.959 1.00 0.00 C ATOM 20 O ALA A 2 9.502 4.277 5.834 1.00 0.00 O ATOM 21 CB ALA A 2 9.947 5.779 8.154 1.00 0.00 C ATOM 0 H ALA A 2 7.055 6.270 7.514 1.00 0.00 H new ATOM 0 HA ALA A 2 9.669 7.152 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.876 5.372 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.176 6.568 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.389 4.987 8.653 1.00 0.00 H new ATOM 27 N LEU A 3 7.696 5.527 5.236 1.00 0.00 N ATOM 28 CA LEU A 3 7.213 4.612 4.206 1.00 0.00 C ATOM 29 C LEU A 3 7.311 5.356 2.864 1.00 0.00 C ATOM 30 O LEU A 3 6.323 5.776 2.271 1.00 0.00 O ATOM 31 CB LEU A 3 5.761 4.158 4.488 1.00 0.00 C ATOM 32 CG LEU A 3 5.609 2.941 5.429 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.917 1.617 4.724 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.397 3.054 6.739 1.00 0.00 C ATOM 0 H LEU A 3 7.124 6.364 5.353 1.00 0.00 H new ATOM 0 HA LEU A 3 7.817 3.705 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.215 4.997 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.283 3.921 3.537 1.00 0.00 H new ATOM 0 HG LEU A 3 4.555 2.946 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.796 0.793 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.232 1.483 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.943 1.631 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.235 2.159 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.459 3.154 6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.058 3.929 7.293 1.00 0.00 H new ATOM 46 N PHE A 4 8.589 5.492 2.467 1.00 0.00 N ATOM 47 CA PHE A 4 8.976 6.159 1.224 1.00 0.00 C ATOM 48 C PHE A 4 8.707 5.190 0.055 1.00 0.00 C ATOM 49 O PHE A 4 8.649 3.984 0.256 1.00 0.00 O ATOM 50 CB PHE A 4 10.478 6.528 1.321 1.00 0.00 C ATOM 51 CG PHE A 4 10.780 7.292 2.584 1.00 0.00 C ATOM 52 CD1 PHE A 4 10.320 8.596 2.742 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.520 6.708 3.609 1.00 0.00 C ATOM 54 CE1 PHE A 4 10.595 9.306 3.904 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.799 7.417 4.770 1.00 0.00 C ATOM 56 CZ PHE A 4 11.336 8.717 4.919 1.00 0.00 C ATOM 0 H PHE A 4 9.380 5.139 3.005 1.00 0.00 H new ATOM 0 HA PHE A 4 8.404 7.072 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 4 11.079 5.619 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.763 7.127 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.744 9.060 1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.880 5.696 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.232 10.317 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.377 6.956 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.552 9.269 5.822 1.00 0.00 H new ATOM 66 N THR A 5 8.557 5.745 -1.166 1.00 0.00 N ATOM 67 CA THR A 5 8.252 4.876 -2.294 1.00 0.00 C ATOM 68 C THR A 5 9.552 4.514 -3.025 1.00 0.00 C ATOM 69 O THR A 5 10.366 5.382 -3.311 1.00 0.00 O ATOM 70 CB THR A 5 7.363 5.634 -3.294 1.00 0.00 C ATOM 71 OG1 THR A 5 8.049 6.650 -4.006 1.00 0.00 O ATOM 72 CG2 THR A 5 6.199 6.378 -2.636 1.00 0.00 C ATOM 0 H THR A 5 8.639 6.739 -1.379 1.00 0.00 H new ATOM 0 HA THR A 5 7.751 3.981 -1.925 1.00 0.00 H new ATOM 0 HB THR A 5 7.022 4.831 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.015 6.535 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.615 6.890 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.563 5.666 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.588 7.109 -1.928 1.00 0.00 H new ATOM 80 N MET A 6 9.676 3.209 -3.323 1.00 0.00 N ATOM 81 CA MET A 6 10.841 2.674 -4.012 1.00 0.00 C ATOM 82 C MET A 6 10.416 2.334 -5.453 1.00 0.00 C ATOM 83 O MET A 6 10.687 3.078 -6.383 1.00 0.00 O ATOM 84 CB MET A 6 11.368 1.472 -3.189 1.00 0.00 C ATOM 85 CG MET A 6 11.563 1.764 -1.682 1.00 0.00 C ATOM 86 SD MET A 6 12.146 0.299 -0.806 1.00 0.00 S ATOM 87 CE MET A 6 10.555 -0.397 -0.317 1.00 0.00 C ATOM 0 H MET A 6 8.972 2.508 -3.091 1.00 0.00 H new ATOM 0 HA MET A 6 11.668 3.380 -4.090 1.00 0.00 H new ATOM 0 HB2 MET A 6 10.672 0.640 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.320 1.149 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.279 2.576 -1.556 1.00 0.00 H new ATOM 0 HG3 MET A 6 10.621 2.100 -1.249 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.719 -1.279 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.992 0.345 0.250 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.992 -0.678 -1.207 1.00 0.00 H new ATOM 97 N GLY A 7 9.702 1.196 -5.579 1.00 0.00 N ATOM 98 CA GLY A 7 9.189 0.781 -6.887 1.00 0.00 C ATOM 99 C GLY A 7 7.722 1.216 -7.114 1.00 0.00 C ATOM 100 O GLY A 7 7.144 1.004 -8.172 1.00 0.00 O ATOM 0 H GLY A 7 9.476 0.567 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.816 1.206 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.261 -0.303 -6.974 1.00 0.00 H new ATOM 104 N GLY A 8 7.169 1.832 -6.046 1.00 0.00 N ATOM 105 CA GLY A 8 5.802 2.355 -5.989 1.00 0.00 C ATOM 106 C GLY A 8 5.440 3.239 -7.189 1.00 0.00 C ATOM 107 O GLY A 8 6.308 3.756 -7.880 1.00 0.00 O ATOM 0 H GLY A 8 7.684 1.979 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.103 1.520 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.679 2.931 -5.072 1.00 0.00 H new ATOM 111 N ASN A 9 4.110 3.364 -7.403 1.00 0.00 N ATOM 112 CA ASN A 9 3.626 4.104 -8.577 1.00 0.00 C ATOM 113 C ASN A 9 2.807 5.349 -8.197 1.00 0.00 C ATOM 114 O ASN A 9 2.370 6.094 -9.067 1.00 0.00 O ATOM 115 CB ASN A 9 2.810 3.162 -9.501 1.00 0.00 C ATOM 116 CG ASN A 9 1.415 2.792 -8.953 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.029 3.205 -7.873 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.620 2.099 -9.779 1.00 0.00 N ATOM 0 H ASN A 9 3.383 2.977 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 9 4.501 4.465 -9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.691 3.639 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.379 2.247 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.344 1.901 -9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.979 1.770 -10.675 1.00 0.00 H new ATOM 125 N ALA A 10 2.590 5.543 -6.885 1.00 0.00 N ATOM 126 CA ALA A 10 1.733 6.633 -6.423 1.00 0.00 C ATOM 127 C ALA A 10 2.397 8.023 -6.387 1.00 0.00 C ATOM 128 O ALA A 10 2.313 8.725 -5.389 1.00 0.00 O ATOM 129 CB ALA A 10 1.236 6.267 -5.029 1.00 0.00 C ATOM 0 H ALA A 10 2.990 4.968 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 10 0.926 6.731 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.591 7.061 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.673 5.335 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.088 6.143 -4.360 1.00 0.00 H new ATOM 135 N GLU A 11 3.044 8.397 -7.506 1.00 0.00 N ATOM 136 CA GLU A 11 3.622 9.734 -7.644 1.00 0.00 C ATOM 137 C GLU A 11 4.533 10.159 -6.457 1.00 0.00 C ATOM 138 O GLU A 11 4.594 11.325 -6.088 1.00 0.00 O ATOM 139 CB GLU A 11 2.493 10.767 -7.874 1.00 0.00 C ATOM 140 CG GLU A 11 1.752 10.647 -9.224 1.00 0.00 C ATOM 141 CD GLU A 11 0.817 9.433 -9.375 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.268 8.937 -8.388 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.635 8.959 -10.498 1.00 0.00 O ATOM 0 H GLU A 11 3.176 7.794 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 11 4.281 9.701 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.765 10.670 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.918 11.768 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.166 11.553 -9.376 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.494 10.610 -10.021 1.00 0.00 H new ATOM 150 N GLY A 12 5.245 9.162 -5.889 1.00 0.00 N ATOM 151 CA GLY A 12 6.179 9.458 -4.789 1.00 0.00 C ATOM 152 C GLY A 12 5.478 9.639 -3.423 1.00 0.00 C ATOM 153 O GLY A 12 6.131 9.907 -2.422 1.00 0.00 O ATOM 0 H GLY A 12 5.194 8.181 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.906 8.650 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.734 10.365 -5.027 1.00 0.00 H new ATOM 157 N GLN A 13 4.136 9.497 -3.409 1.00 0.00 N ATOM 158 CA GLN A 13 3.397 9.653 -2.158 1.00 0.00 C ATOM 159 C GLN A 13 3.733 8.476 -1.209 1.00 0.00 C ATOM 160 O GLN A 13 3.720 7.325 -1.628 1.00 0.00 O ATOM 161 CB GLN A 13 1.874 9.689 -2.408 1.00 0.00 C ATOM 162 CG GLN A 13 1.360 10.923 -3.184 1.00 0.00 C ATOM 163 CD GLN A 13 1.446 12.211 -2.340 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.039 12.248 -1.271 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.785 13.257 -2.856 1.00 0.00 N ATOM 0 H GLN A 13 3.565 9.282 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 13 3.693 10.599 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.592 8.791 -2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.364 9.647 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.944 11.047 -4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.326 10.756 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.308 13.167 -3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.759 14.143 -2.351 1.00 0.00 H new ATOM 174 N PRO A 14 4.028 8.787 0.083 1.00 0.00 N ATOM 175 CA PRO A 14 4.333 7.755 1.071 1.00 0.00 C ATOM 176 C PRO A 14 3.069 6.949 1.420 1.00 0.00 C ATOM 177 O PRO A 14 1.955 7.420 1.231 1.00 0.00 O ATOM 178 CB PRO A 14 4.852 8.542 2.282 1.00 0.00 C ATOM 179 CG PRO A 14 4.209 9.928 2.158 1.00 0.00 C ATOM 180 CD PRO A 14 4.043 10.136 0.649 1.00 0.00 C ATOM 0 HA PRO A 14 5.059 7.025 0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.571 8.058 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.940 8.609 2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.249 9.968 2.673 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.840 10.700 2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.120 10.670 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.862 10.727 0.239 1.00 0.00 H new ATOM 188 N CYS A 15 3.304 5.717 1.921 1.00 0.00 N ATOM 189 CA CYS A 15 2.189 4.824 2.269 1.00 0.00 C ATOM 190 C CYS A 15 1.102 5.520 3.111 1.00 0.00 C ATOM 191 O CYS A 15 1.379 6.356 3.964 1.00 0.00 O ATOM 192 CB CYS A 15 2.683 3.671 3.145 1.00 0.00 C ATOM 193 SG CYS A 15 3.674 2.451 2.253 1.00 0.00 S ATOM 0 H CYS A 15 4.233 5.330 2.089 1.00 0.00 H new ATOM 0 HA CYS A 15 1.782 4.493 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.275 4.078 3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.823 3.171 3.591 1.00 0.00 H new ATOM 198 N LYS A 16 -0.142 5.090 2.816 1.00 0.00 N ATOM 199 CA LYS A 16 -1.318 5.609 3.488 1.00 0.00 C ATOM 200 C LYS A 16 -1.986 4.460 4.249 1.00 0.00 C ATOM 201 O LYS A 16 -2.237 3.391 3.712 1.00 0.00 O ATOM 202 CB LYS A 16 -2.276 6.154 2.418 1.00 0.00 C ATOM 203 CG LYS A 16 -3.461 6.990 2.968 1.00 0.00 C ATOM 204 CD LYS A 16 -2.988 8.241 3.729 1.00 0.00 C ATOM 205 CE LYS A 16 -2.954 8.125 5.259 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.248 7.747 5.820 1.00 0.00 N ATOM 0 H LYS A 16 -0.343 4.381 2.111 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.055 6.403 4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.707 6.771 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.676 5.315 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.105 7.292 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.064 6.370 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.987 8.496 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.640 9.073 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.207 7.386 5.548 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.641 9.078 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.116 7.388 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.873 8.578 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.678 7.005 5.232 1.00 0.00 H new ATOM 220 N PHE A 17 -2.244 4.756 5.530 1.00 0.00 N ATOM 221 CA PHE A 17 -2.907 3.833 6.441 1.00 0.00 C ATOM 222 C PHE A 17 -4.029 4.661 7.098 1.00 0.00 C ATOM 223 O PHE A 17 -3.808 5.840 7.372 1.00 0.00 O ATOM 224 CB PHE A 17 -1.896 3.356 7.509 1.00 0.00 C ATOM 225 CG PHE A 17 -0.689 2.641 6.939 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.830 1.522 6.124 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.601 3.070 7.238 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.279 0.843 5.643 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.713 2.391 6.760 1.00 0.00 C ATOM 230 CZ PHE A 17 1.558 1.264 5.968 1.00 0.00 C ATOM 0 H PHE A 17 -1.995 5.648 5.958 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.298 2.949 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.557 4.218 8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.405 2.689 8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.819 1.177 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.739 3.947 7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.145 -0.021 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.704 2.742 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.421 0.723 5.610 1.00 0.00 H new ATOM 240 N PRO A 18 -5.231 4.067 7.333 1.00 0.00 N ATOM 241 CA PRO A 18 -5.662 2.748 6.865 1.00 0.00 C ATOM 242 C PRO A 18 -6.085 2.831 5.385 1.00 0.00 C ATOM 243 O PRO A 18 -6.874 3.694 5.029 1.00 0.00 O ATOM 244 CB PRO A 18 -6.925 2.466 7.697 1.00 0.00 C ATOM 245 CG PRO A 18 -7.493 3.848 8.030 1.00 0.00 C ATOM 246 CD PRO A 18 -6.267 4.765 8.095 1.00 0.00 C ATOM 0 HA PRO A 18 -4.880 1.995 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.643 1.868 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.685 1.908 8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.197 4.181 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.031 3.838 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.482 5.743 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.954 4.933 9.125 1.00 0.00 H new ATOM 254 N PHE A 19 -5.558 1.916 4.548 1.00 0.00 N ATOM 255 CA PHE A 19 -5.982 1.918 3.143 1.00 0.00 C ATOM 256 C PHE A 19 -6.951 0.736 2.971 1.00 0.00 C ATOM 257 O PHE A 19 -6.723 -0.356 3.477 1.00 0.00 O ATOM 258 CB PHE A 19 -4.834 1.855 2.109 1.00 0.00 C ATOM 259 CG PHE A 19 -4.035 0.525 2.156 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.001 0.323 3.103 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.287 -0.539 1.256 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.208 -0.851 3.075 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.509 -1.686 1.250 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.461 -1.833 2.137 1.00 0.00 C ATOM 0 H PHE A 19 -4.875 1.204 4.805 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.457 2.877 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.248 1.987 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.151 2.687 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.815 1.074 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.106 -0.455 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.406 -0.978 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.725 -2.474 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.839 -2.715 2.097 1.00 0.00 H new ATOM 274 N ARG A 20 -8.053 1.017 2.256 1.00 0.00 N ATOM 275 CA ARG A 20 -9.080 0.011 2.015 1.00 0.00 C ATOM 276 C ARG A 20 -8.746 -0.719 0.702 1.00 0.00 C ATOM 277 O ARG A 20 -8.518 -0.092 -0.325 1.00 0.00 O ATOM 278 CB ARG A 20 -10.445 0.735 1.932 1.00 0.00 C ATOM 279 CG ARG A 20 -11.676 -0.121 1.596 1.00 0.00 C ATOM 280 CD ARG A 20 -12.145 -1.056 2.748 1.00 0.00 C ATOM 281 NE ARG A 20 -11.947 -0.449 4.088 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.702 0.581 4.528 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.610 1.144 3.736 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.512 1.021 5.767 1.00 0.00 N ATOM 0 H ARG A 20 -8.248 1.928 1.841 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.123 -0.727 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.626 1.225 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.365 1.521 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.499 0.540 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.452 -0.729 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.200 -1.293 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.597 -1.997 2.694 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.218 -0.822 4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.742 0.799 2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.174 1.921 4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.809 0.582 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.069 1.798 6.123 1.00 0.00 H new ATOM 298 N PHE A 21 -8.729 -2.059 0.798 1.00 0.00 N ATOM 299 CA PHE A 21 -8.471 -2.909 -0.360 1.00 0.00 C ATOM 300 C PHE A 21 -9.341 -4.161 -0.165 1.00 0.00 C ATOM 301 O PHE A 21 -9.489 -4.655 0.941 1.00 0.00 O ATOM 302 CB PHE A 21 -6.975 -3.234 -0.426 1.00 0.00 C ATOM 303 CG PHE A 21 -6.657 -4.345 -1.391 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.010 -4.250 -2.726 1.00 0.00 C ATOM 305 CD2 PHE A 21 -5.994 -5.481 -0.956 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.649 -5.235 -3.636 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.634 -6.479 -1.852 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.948 -6.352 -3.198 1.00 0.00 C ATOM 0 H PHE A 21 -8.891 -2.569 1.666 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.723 -2.430 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.427 -2.338 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.625 -3.512 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.576 -3.395 -3.066 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.755 -5.592 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.912 -5.133 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.109 -7.355 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.649 -7.116 -3.900 1.00 0.00 H new ATOM 318 N GLN A 22 -9.947 -4.634 -1.261 1.00 0.00 N ATOM 319 CA GLN A 22 -10.859 -5.773 -1.229 1.00 0.00 C ATOM 320 C GLN A 22 -12.011 -5.584 -0.202 1.00 0.00 C ATOM 321 O GLN A 22 -12.600 -6.554 0.259 1.00 0.00 O ATOM 322 CB GLN A 22 -10.147 -7.126 -0.930 1.00 0.00 C ATOM 323 CG GLN A 22 -8.996 -7.529 -1.881 1.00 0.00 C ATOM 324 CD GLN A 22 -8.144 -8.691 -1.329 1.00 0.00 C ATOM 325 OE1 GLN A 22 -7.905 -9.660 -2.036 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.713 -8.595 -0.063 1.00 0.00 N ATOM 0 H GLN A 22 -9.816 -4.236 -2.191 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.273 -5.814 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.752 -7.086 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.897 -7.917 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.412 -7.816 -2.847 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.355 -6.665 -2.055 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.936 -7.768 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.162 -9.349 0.347 1.00 0.00 H new ATOM 335 N GLY A 23 -12.296 -4.313 0.158 1.00 0.00 N ATOM 336 CA GLY A 23 -13.351 -4.078 1.147 1.00 0.00 C ATOM 337 C GLY A 23 -12.890 -4.266 2.615 1.00 0.00 C ATOM 338 O GLY A 23 -13.685 -4.146 3.538 1.00 0.00 O ATOM 0 H GLY A 23 -11.834 -3.479 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.732 -3.064 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.180 -4.757 0.947 1.00 0.00 H new ATOM 342 N THR A 24 -11.580 -4.518 2.796 1.00 0.00 N ATOM 343 CA THR A 24 -10.961 -4.674 4.110 1.00 0.00 C ATOM 344 C THR A 24 -9.977 -3.505 4.319 1.00 0.00 C ATOM 345 O THR A 24 -9.387 -3.013 3.369 1.00 0.00 O ATOM 346 CB THR A 24 -10.229 -6.031 4.117 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.063 -7.053 3.611 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.690 -6.429 5.499 1.00 0.00 C ATOM 0 H THR A 24 -10.923 -4.618 2.023 1.00 0.00 H new ATOM 0 HA THR A 24 -11.693 -4.658 4.917 1.00 0.00 H new ATOM 0 HB THR A 24 -9.364 -5.907 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.580 -7.905 3.622 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.187 -7.394 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.983 -5.675 5.845 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.517 -6.501 6.205 1.00 0.00 H new ATOM 356 N SER A 25 -9.849 -3.053 5.585 1.00 0.00 N ATOM 357 CA SER A 25 -8.946 -1.943 5.884 1.00 0.00 C ATOM 358 C SER A 25 -7.599 -2.510 6.360 1.00 0.00 C ATOM 359 O SER A 25 -7.559 -3.448 7.144 1.00 0.00 O ATOM 360 CB SER A 25 -9.586 -1.044 6.948 1.00 0.00 C ATOM 361 OG SER A 25 -10.975 -0.863 6.690 1.00 0.00 O ATOM 0 H SER A 25 -10.348 -3.433 6.390 1.00 0.00 H new ATOM 0 HA SER A 25 -8.769 -1.340 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.450 -1.487 7.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.085 -0.076 6.961 1.00 0.00 H new ATOM 0 HG SER A 25 -11.451 -0.732 7.537 1.00 0.00 H new ATOM 367 N TYR A 26 -6.527 -1.903 5.820 1.00 0.00 N ATOM 368 CA TYR A 26 -5.161 -2.327 6.090 1.00 0.00 C ATOM 369 C TYR A 26 -4.351 -1.153 6.662 1.00 0.00 C ATOM 370 O TYR A 26 -4.319 -0.074 6.085 1.00 0.00 O ATOM 371 CB TYR A 26 -4.500 -2.699 4.758 1.00 0.00 C ATOM 372 CG TYR A 26 -5.108 -3.894 4.077 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.282 -3.794 3.341 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.473 -5.125 4.145 1.00 0.00 C ATOM 375 CE1 TYR A 26 -6.790 -4.910 2.698 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.985 -6.235 3.490 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.160 -6.135 2.765 1.00 0.00 C ATOM 378 OH TYR A 26 -6.720 -7.206 2.091 1.00 0.00 O ATOM 0 H TYR A 26 -6.594 -1.107 5.186 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.181 -3.162 6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.559 -1.843 4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.442 -2.895 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.797 -2.848 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.563 -5.221 4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.703 -4.819 2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.465 -7.180 3.546 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.167 -8.004 2.227 1.00 0.00 H new ATOM 388 N ASP A 27 -3.664 -1.444 7.782 1.00 0.00 N ATOM 389 CA ASP A 27 -2.798 -0.460 8.433 1.00 0.00 C ATOM 390 C ASP A 27 -1.354 -0.985 8.451 1.00 0.00 C ATOM 391 O ASP A 27 -0.574 -0.707 9.353 1.00 0.00 O ATOM 392 CB ASP A 27 -3.292 -0.202 9.865 1.00 0.00 C ATOM 393 CG ASP A 27 -4.579 0.622 9.830 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.483 1.849 9.794 1.00 0.00 O ATOM 395 OD2 ASP A 27 -5.658 0.031 9.826 1.00 0.00 O ATOM 0 H ASP A 27 -3.695 -2.350 8.249 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.827 0.479 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.470 -1.149 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.527 0.326 10.434 1.00 0.00 H new ATOM 400 N SER A 28 -1.044 -1.782 7.412 1.00 0.00 N ATOM 401 CA SER A 28 0.274 -2.384 7.351 1.00 0.00 C ATOM 402 C SER A 28 0.490 -2.920 5.929 1.00 0.00 C ATOM 403 O SER A 28 -0.434 -3.024 5.129 1.00 0.00 O ATOM 404 CB SER A 28 0.319 -3.527 8.400 1.00 0.00 C ATOM 405 OG SER A 28 -0.813 -4.364 8.183 1.00 0.00 O ATOM 0 H SER A 28 -1.669 -2.010 6.639 1.00 0.00 H new ATOM 0 HA SER A 28 1.064 -1.667 7.574 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.241 -4.099 8.302 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.304 -3.119 9.410 1.00 0.00 H new ATOM 0 HG SER A 28 -0.807 -5.097 8.833 1.00 0.00 H new ATOM 411 N CYS A 29 1.770 -3.266 5.697 1.00 0.00 N ATOM 412 CA CYS A 29 2.234 -3.875 4.455 1.00 0.00 C ATOM 413 C CYS A 29 1.412 -5.138 4.105 1.00 0.00 C ATOM 414 O CYS A 29 1.242 -5.996 4.962 1.00 0.00 O ATOM 415 CB CYS A 29 3.659 -4.338 4.754 1.00 0.00 C ATOM 416 SG CYS A 29 4.718 -3.010 5.375 1.00 0.00 S ATOM 0 H CYS A 29 2.513 -3.125 6.381 1.00 0.00 H new ATOM 0 HA CYS A 29 2.150 -3.169 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.627 -5.143 5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.099 -4.752 3.846 1.00 0.00 H new ATOM 421 N THR A 30 0.925 -5.232 2.844 1.00 0.00 N ATOM 422 CA THR A 30 0.139 -6.404 2.451 1.00 0.00 C ATOM 423 C THR A 30 0.710 -7.010 1.156 1.00 0.00 C ATOM 424 O THR A 30 1.197 -6.301 0.285 1.00 0.00 O ATOM 425 CB THR A 30 -1.341 -5.984 2.339 1.00 0.00 C ATOM 426 OG1 THR A 30 -2.183 -7.087 2.605 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.706 -5.264 1.015 1.00 0.00 C ATOM 0 H THR A 30 1.060 -4.534 2.113 1.00 0.00 H new ATOM 0 HA THR A 30 0.199 -7.193 3.201 1.00 0.00 H new ATOM 0 HB THR A 30 -1.506 -5.225 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.997 -6.776 3.054 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.765 -5.005 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.111 -4.356 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.499 -5.924 0.173 1.00 0.00 H new ATOM 435 N THR A 31 0.603 -8.351 1.074 1.00 0.00 N ATOM 436 CA THR A 31 1.071 -9.099 -0.100 1.00 0.00 C ATOM 437 C THR A 31 -0.086 -9.428 -1.060 1.00 0.00 C ATOM 438 O THR A 31 0.115 -9.677 -2.241 1.00 0.00 O ATOM 439 CB THR A 31 1.799 -10.385 0.355 1.00 0.00 C ATOM 440 OG1 THR A 31 1.875 -10.352 1.775 1.00 0.00 O ATOM 441 CG2 THR A 31 3.194 -10.486 -0.287 1.00 0.00 C ATOM 0 H THR A 31 0.197 -8.933 1.807 1.00 0.00 H new ATOM 0 HA THR A 31 1.773 -8.472 -0.650 1.00 0.00 H new ATOM 0 HB THR A 31 1.250 -11.270 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.331 -11.157 2.097 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.684 -11.399 0.050 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.094 -10.507 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.793 -9.624 0.006 1.00 0.00 H new ATOM 449 N GLU A 32 -1.309 -9.421 -0.493 1.00 0.00 N ATOM 450 CA GLU A 32 -2.492 -9.750 -1.290 1.00 0.00 C ATOM 451 C GLU A 32 -2.569 -8.834 -2.526 1.00 0.00 C ATOM 452 O GLU A 32 -2.582 -7.616 -2.412 1.00 0.00 O ATOM 453 CB GLU A 32 -3.763 -9.563 -0.450 1.00 0.00 C ATOM 454 CG GLU A 32 -3.900 -10.559 0.712 1.00 0.00 C ATOM 455 CD GLU A 32 -5.081 -10.136 1.590 1.00 0.00 C ATOM 456 OE1 GLU A 32 -4.891 -9.288 2.456 1.00 0.00 O ATOM 457 OE2 GLU A 32 -6.186 -10.629 1.388 1.00 0.00 O ATOM 0 H GLU A 32 -1.494 -9.197 0.485 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.415 -10.789 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.774 -8.550 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.633 -9.658 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.057 -11.567 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.982 -10.581 1.300 1.00 0.00 H new ATOM 464 N GLY A 33 -2.597 -9.496 -3.698 1.00 0.00 N ATOM 465 CA GLY A 33 -2.651 -8.779 -4.967 1.00 0.00 C ATOM 466 C GLY A 33 -1.368 -8.974 -5.786 1.00 0.00 C ATOM 467 O GLY A 33 -1.369 -8.775 -6.993 1.00 0.00 O ATOM 0 H GLY A 33 -2.583 -10.512 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.507 -9.126 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.804 -7.716 -4.778 1.00 0.00 H new ATOM 471 N ARG A 34 -0.286 -9.373 -5.086 1.00 0.00 N ATOM 472 CA ARG A 34 0.985 -9.594 -5.803 1.00 0.00 C ATOM 473 C ARG A 34 1.434 -11.044 -5.592 1.00 0.00 C ATOM 474 O ARG A 34 1.266 -11.621 -4.526 1.00 0.00 O ATOM 475 CB ARG A 34 2.068 -8.676 -5.228 1.00 0.00 C ATOM 476 CG ARG A 34 1.741 -7.185 -5.396 1.00 0.00 C ATOM 477 CD ARG A 34 3.002 -6.319 -5.208 1.00 0.00 C ATOM 478 NE ARG A 34 3.802 -6.371 -6.443 1.00 0.00 N ATOM 479 CZ ARG A 34 3.703 -5.442 -7.422 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.877 -4.412 -7.292 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.434 -5.573 -8.521 1.00 0.00 N ATOM 0 H ARG A 34 -0.262 -9.541 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 34 0.838 -9.385 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.199 -8.897 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.017 -8.892 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.320 -7.011 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.982 -6.891 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.723 -5.290 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.587 -6.683 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 34 4.460 -7.141 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.310 -4.316 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.809 -3.716 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.064 -6.369 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.366 -4.878 -9.264 1.00 0.00 H new ATOM 495 N THR A 35 2.037 -11.581 -6.667 1.00 0.00 N ATOM 496 CA THR A 35 2.567 -12.940 -6.647 1.00 0.00 C ATOM 497 C THR A 35 4.056 -12.927 -7.036 1.00 0.00 C ATOM 498 O THR A 35 4.586 -13.916 -7.523 1.00 0.00 O ATOM 499 CB THR A 35 1.744 -13.782 -7.636 1.00 0.00 C ATOM 500 OG1 THR A 35 1.707 -13.145 -8.904 1.00 0.00 O ATOM 501 CG2 THR A 35 0.291 -13.937 -7.172 1.00 0.00 C ATOM 0 H THR A 35 2.165 -11.091 -7.552 1.00 0.00 H new ATOM 0 HA THR A 35 2.491 -13.371 -5.649 1.00 0.00 H new ATOM 0 HB THR A 35 2.223 -14.759 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.182 -13.689 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.260 -14.538 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.270 -14.430 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.172 -12.953 -7.090 1.00 0.00 H new ATOM 509 N ASP A 36 4.683 -11.752 -6.820 1.00 0.00 N ATOM 510 CA ASP A 36 6.078 -11.528 -7.204 1.00 0.00 C ATOM 511 C ASP A 36 7.021 -11.361 -5.992 1.00 0.00 C ATOM 512 O ASP A 36 8.214 -11.141 -6.158 1.00 0.00 O ATOM 513 CB ASP A 36 6.141 -10.299 -8.130 1.00 0.00 C ATOM 514 CG ASP A 36 5.617 -8.998 -7.498 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.352 -8.953 -6.298 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.472 -8.015 -8.219 1.00 0.00 O ATOM 0 H ASP A 36 4.238 -10.947 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 36 6.433 -12.415 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.174 -10.147 -8.441 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.564 -10.509 -9.031 1.00 0.00 H new ATOM 521 N GLY A 37 6.446 -11.505 -4.776 1.00 0.00 N ATOM 522 CA GLY A 37 7.256 -11.441 -3.561 1.00 0.00 C ATOM 523 C GLY A 37 7.163 -10.107 -2.814 1.00 0.00 C ATOM 524 O GLY A 37 7.480 -10.031 -1.631 1.00 0.00 O ATOM 0 H GLY A 37 5.450 -11.662 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.948 -12.243 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.298 -11.627 -3.822 1.00 0.00 H new ATOM 528 N TYR A 38 6.763 -9.053 -3.548 1.00 0.00 N ATOM 529 CA TYR A 38 6.785 -7.728 -2.927 1.00 0.00 C ATOM 530 C TYR A 38 5.493 -7.456 -2.151 1.00 0.00 C ATOM 531 O TYR A 38 4.418 -7.965 -2.444 1.00 0.00 O ATOM 532 CB TYR A 38 7.140 -6.657 -3.975 1.00 0.00 C ATOM 533 CG TYR A 38 8.259 -7.173 -4.843 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.454 -7.621 -4.296 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.100 -7.294 -6.212 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.414 -8.225 -5.077 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.056 -7.899 -6.994 1.00 0.00 C ATOM 538 CZ TYR A 38 10.220 -8.386 -6.433 1.00 0.00 C ATOM 539 OH TYR A 38 11.162 -9.033 -7.203 1.00 0.00 O ATOM 0 H TYR A 38 6.439 -9.089 -4.515 1.00 0.00 H new ATOM 0 HA TYR A 38 7.574 -7.687 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.267 -6.423 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.441 -5.733 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.634 -7.493 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.206 -6.905 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.329 -8.576 -4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.895 -7.994 -8.058 1.00 0.00 H new ATOM 0 HH TYR A 38 10.862 -9.057 -8.136 1.00 0.00 H new ATOM 549 N ARG A 39 5.712 -6.632 -1.116 1.00 0.00 N ATOM 550 CA ARG A 39 4.618 -6.233 -0.213 1.00 0.00 C ATOM 551 C ARG A 39 4.373 -4.753 -0.518 1.00 0.00 C ATOM 552 O ARG A 39 5.321 -3.987 -0.663 1.00 0.00 O ATOM 553 CB ARG A 39 5.127 -6.427 1.218 1.00 0.00 C ATOM 554 CG ARG A 39 5.389 -7.899 1.594 1.00 0.00 C ATOM 555 CD ARG A 39 6.248 -7.988 2.891 1.00 0.00 C ATOM 556 NE ARG A 39 7.458 -7.159 2.822 1.00 0.00 N ATOM 557 CZ ARG A 39 8.542 -7.531 2.109 1.00 0.00 C ATOM 558 NH1 ARG A 39 8.674 -8.756 1.619 1.00 0.00 N ATOM 559 NH2 ARG A 39 9.502 -6.647 1.923 1.00 0.00 N ATOM 0 H ARG A 39 6.622 -6.233 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 39 3.699 -6.805 -0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.049 -5.860 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.398 -6.009 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.441 -8.416 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.903 -8.403 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.646 -7.676 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.532 -9.026 3.064 1.00 0.00 H new ATOM 0 HE ARG A 39 7.480 -6.274 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.943 -9.450 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.506 -9.004 1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.414 -5.709 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.333 -6.901 1.388 1.00 0.00 H new ATOM 573 N TRP A 40 3.078 -4.411 -0.661 1.00 0.00 N ATOM 574 CA TRP A 40 2.686 -3.066 -1.053 1.00 0.00 C ATOM 575 C TRP A 40 1.727 -2.466 -0.012 1.00 0.00 C ATOM 576 O TRP A 40 1.170 -3.167 0.827 1.00 0.00 O ATOM 577 CB TRP A 40 2.052 -3.122 -2.460 1.00 0.00 C ATOM 578 CG TRP A 40 0.735 -3.879 -2.451 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.583 -5.266 -2.538 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.601 -3.333 -2.358 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.732 -5.578 -2.513 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.490 -4.427 -2.406 1.00 0.00 C ATOM 583 CE3 TRP A 40 -1.099 -2.063 -2.237 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.835 -4.223 -2.337 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.480 -1.844 -2.161 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.348 -2.935 -2.215 1.00 0.00 C ATOM 0 H TRP A 40 2.299 -5.051 -0.509 1.00 0.00 H new ATOM 0 HA TRP A 40 3.559 -2.415 -1.094 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.887 -2.109 -2.826 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.743 -3.602 -3.152 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.391 -5.978 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.110 -6.524 -2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.421 -1.223 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.508 -5.067 -2.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.869 -0.841 -2.062 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.416 -2.780 -2.162 1.00 0.00 H new ATOM 597 N CYS A 41 1.562 -1.136 -0.135 1.00 0.00 N ATOM 598 CA CYS A 41 0.630 -0.378 0.678 1.00 0.00 C ATOM 599 C CYS A 41 -0.168 0.545 -0.259 1.00 0.00 C ATOM 600 O CYS A 41 0.350 0.996 -1.275 1.00 0.00 O ATOM 601 CB CYS A 41 1.417 0.458 1.684 1.00 0.00 C ATOM 602 SG CYS A 41 2.410 1.723 0.836 1.00 0.00 S ATOM 0 H CYS A 41 2.079 -0.568 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.047 -1.040 1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.730 0.936 2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.069 -0.189 2.271 1.00 0.00 H new ATOM 607 N GLY A 42 -1.431 0.819 0.118 1.00 0.00 N ATOM 608 CA GLY A 42 -2.211 1.775 -0.659 1.00 0.00 C ATOM 609 C GLY A 42 -1.712 3.186 -0.316 1.00 0.00 C ATOM 610 O GLY A 42 -1.069 3.387 0.708 1.00 0.00 O ATOM 0 H GLY A 42 -1.908 0.408 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.099 1.580 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.272 1.679 -0.427 1.00 0.00 H new ATOM 614 N THR A 43 -2.039 4.143 -1.207 1.00 0.00 N ATOM 615 CA THR A 43 -1.599 5.528 -0.982 1.00 0.00 C ATOM 616 C THR A 43 -2.777 6.501 -0.877 1.00 0.00 C ATOM 617 O THR A 43 -2.626 7.709 -1.007 1.00 0.00 O ATOM 618 CB THR A 43 -0.591 5.951 -2.067 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.511 4.967 -3.077 1.00 0.00 O ATOM 620 CG2 THR A 43 0.808 6.118 -1.472 1.00 0.00 C ATOM 0 H THR A 43 -2.584 3.990 -2.055 1.00 0.00 H new ATOM 0 HA THR A 43 -1.093 5.567 -0.017 1.00 0.00 H new ATOM 0 HB THR A 43 -0.939 6.897 -2.482 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.407 4.788 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.504 6.417 -2.256 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.785 6.884 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.134 5.173 -1.039 1.00 0.00 H new ATOM 628 N THR A 44 -3.943 5.907 -0.608 1.00 0.00 N ATOM 629 CA THR A 44 -5.152 6.670 -0.380 1.00 0.00 C ATOM 630 C THR A 44 -5.892 5.860 0.677 1.00 0.00 C ATOM 631 O THR A 44 -5.536 4.716 0.944 1.00 0.00 O ATOM 632 CB THR A 44 -5.985 6.819 -1.667 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.501 5.545 -2.017 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.155 7.408 -2.819 1.00 0.00 C ATOM 0 H THR A 44 -4.065 4.896 -0.545 1.00 0.00 H new ATOM 0 HA THR A 44 -4.949 7.693 -0.062 1.00 0.00 H new ATOM 0 HB THR A 44 -6.802 7.516 -1.484 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.263 5.656 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.779 7.497 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.786 8.393 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.311 6.752 -3.032 1.00 0.00 H new ATOM 642 N GLU A 45 -6.936 6.486 1.247 1.00 0.00 N ATOM 643 CA GLU A 45 -7.719 5.749 2.226 1.00 0.00 C ATOM 644 C GLU A 45 -8.488 4.587 1.546 1.00 0.00 C ATOM 645 O GLU A 45 -8.937 3.661 2.210 1.00 0.00 O ATOM 646 CB GLU A 45 -8.662 6.688 3.009 1.00 0.00 C ATOM 647 CG GLU A 45 -8.038 8.028 3.470 1.00 0.00 C ATOM 648 CD GLU A 45 -6.789 7.927 4.366 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.388 6.838 4.770 1.00 0.00 O ATOM 650 OE2 GLU A 45 -6.193 8.959 4.670 1.00 0.00 O ATOM 0 H GLU A 45 -7.237 7.442 1.057 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.036 5.310 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.529 6.907 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.028 6.157 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.777 8.607 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.800 8.593 4.007 1.00 0.00 H new ATOM 657 N ASP A 46 -8.627 4.682 0.196 1.00 0.00 N ATOM 658 CA ASP A 46 -9.322 3.643 -0.565 1.00 0.00 C ATOM 659 C ASP A 46 -8.536 3.295 -1.850 1.00 0.00 C ATOM 660 O ASP A 46 -8.533 4.028 -2.835 1.00 0.00 O ATOM 661 CB ASP A 46 -10.784 4.050 -0.814 1.00 0.00 C ATOM 662 CG ASP A 46 -11.607 2.839 -1.275 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.308 2.304 -2.338 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.524 2.439 -0.560 1.00 0.00 O ATOM 0 H ASP A 46 -8.271 5.455 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.362 2.722 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.213 4.463 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.826 4.835 -1.569 1.00 0.00 H new ATOM 669 N TYR A 47 -7.851 2.137 -1.771 1.00 0.00 N ATOM 670 CA TYR A 47 -7.040 1.681 -2.898 1.00 0.00 C ATOM 671 C TYR A 47 -7.926 1.149 -4.027 1.00 0.00 C ATOM 672 O TYR A 47 -7.614 1.310 -5.201 1.00 0.00 O ATOM 673 CB TYR A 47 -6.099 0.552 -2.436 1.00 0.00 C ATOM 674 CG TYR A 47 -5.328 -0.012 -3.596 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.263 0.679 -4.147 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.682 -1.237 -4.142 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.549 0.134 -5.198 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.947 -1.800 -5.170 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.869 -1.111 -5.705 1.00 0.00 C ATOM 680 OH TYR A 47 -3.109 -1.631 -6.732 1.00 0.00 O ATOM 0 H TYR A 47 -7.846 1.520 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.463 2.529 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.407 0.934 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.679 -0.239 -1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.989 1.647 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.546 -1.760 -3.758 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.729 0.689 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.212 -2.774 -5.555 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.237 -1.184 -6.752 1.00 0.00 H new ATOM 690 N ASP A 48 -9.024 0.488 -3.614 1.00 0.00 N ATOM 691 CA ASP A 48 -9.897 -0.131 -4.609 1.00 0.00 C ATOM 692 C ASP A 48 -10.371 0.910 -5.644 1.00 0.00 C ATOM 693 O ASP A 48 -10.486 0.654 -6.839 1.00 0.00 O ATOM 694 CB ASP A 48 -11.120 -0.805 -3.941 1.00 0.00 C ATOM 695 CG ASP A 48 -10.725 -2.019 -3.081 1.00 0.00 C ATOM 696 OD1 ASP A 48 -9.925 -2.830 -3.544 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.218 -2.161 -1.959 1.00 0.00 O ATOM 0 H ASP A 48 -9.313 0.375 -2.642 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.318 -0.899 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.638 -0.076 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.822 -1.122 -4.712 1.00 0.00 H new ATOM 702 N ARG A 49 -10.630 2.107 -5.104 1.00 0.00 N ATOM 703 CA ARG A 49 -11.048 3.248 -5.895 1.00 0.00 C ATOM 704 C ARG A 49 -9.889 3.785 -6.777 1.00 0.00 C ATOM 705 O ARG A 49 -10.015 3.813 -7.999 1.00 0.00 O ATOM 706 CB ARG A 49 -11.628 4.285 -4.906 1.00 0.00 C ATOM 707 CG ARG A 49 -11.952 5.685 -5.460 1.00 0.00 C ATOM 708 CD ARG A 49 -11.983 6.772 -4.321 1.00 0.00 C ATOM 709 NE ARG A 49 -10.821 7.633 -4.498 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.671 8.880 -4.017 1.00 0.00 C ATOM 711 NH1 ARG A 49 -11.667 9.494 -3.383 1.00 0.00 N ATOM 712 NH2 ARG A 49 -9.499 9.477 -4.189 1.00 0.00 N ATOM 0 H ARG A 49 -10.553 2.302 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.819 2.979 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.542 3.871 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.919 4.402 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.207 5.962 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.917 5.661 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.902 7.355 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.962 6.298 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.045 7.253 -5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.560 9.019 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.537 10.440 -3.024 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.745 8.990 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.352 10.423 -3.836 1.00 0.00 H new ATOM 726 N ASP A 50 -8.805 4.231 -6.110 1.00 0.00 N ATOM 727 CA ASP A 50 -7.701 4.933 -6.785 1.00 0.00 C ATOM 728 C ASP A 50 -6.707 4.094 -7.635 1.00 0.00 C ATOM 729 O ASP A 50 -6.259 4.549 -8.679 1.00 0.00 O ATOM 730 CB ASP A 50 -6.913 5.724 -5.728 1.00 0.00 C ATOM 731 CG ASP A 50 -7.805 6.804 -5.099 1.00 0.00 C ATOM 732 OD1 ASP A 50 -8.179 7.747 -5.790 1.00 0.00 O ATOM 733 OD2 ASP A 50 -8.141 6.718 -3.923 1.00 0.00 O ATOM 0 H ASP A 50 -8.673 4.116 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.200 5.556 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.548 5.048 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.039 6.186 -6.186 1.00 0.00 H new ATOM 738 N LYS A 51 -6.321 2.908 -7.128 1.00 0.00 N ATOM 739 CA LYS A 51 -5.339 2.025 -7.772 1.00 0.00 C ATOM 740 C LYS A 51 -3.903 2.580 -7.807 1.00 0.00 C ATOM 741 O LYS A 51 -3.115 2.216 -8.675 1.00 0.00 O ATOM 742 CB LYS A 51 -5.712 1.563 -9.198 1.00 0.00 C ATOM 743 CG LYS A 51 -7.017 0.745 -9.261 1.00 0.00 C ATOM 744 CD LYS A 51 -8.280 1.554 -8.964 1.00 0.00 C ATOM 745 CE LYS A 51 -9.531 0.974 -9.630 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.725 1.675 -9.177 1.00 0.00 N ATOM 0 H LYS A 51 -6.687 2.535 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.369 1.160 -7.109 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.810 2.438 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.897 0.962 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.108 0.303 -10.253 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.951 -0.078 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.434 1.594 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.136 2.580 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.444 1.056 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.615 -0.087 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.471 1.592 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.057 1.255 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.501 2.679 -9.025 1.00 0.00 H new ATOM 760 N LYS A 52 -3.572 3.432 -6.821 1.00 0.00 N ATOM 761 CA LYS A 52 -2.194 3.910 -6.744 1.00 0.00 C ATOM 762 C LYS A 52 -1.625 3.410 -5.407 1.00 0.00 C ATOM 763 O LYS A 52 -2.285 3.499 -4.373 1.00 0.00 O ATOM 764 CB LYS A 52 -2.110 5.444 -6.876 1.00 0.00 C ATOM 765 CG LYS A 52 -2.719 6.066 -8.162 1.00 0.00 C ATOM 766 CD LYS A 52 -2.249 5.507 -9.520 1.00 0.00 C ATOM 767 CE LYS A 52 -0.725 5.436 -9.642 1.00 0.00 C ATOM 768 NZ LYS A 52 -0.057 6.732 -9.640 1.00 0.00 N ATOM 0 H LYS A 52 -4.206 3.785 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.605 3.521 -7.575 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.608 5.888 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.061 5.734 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.802 5.953 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.510 7.136 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.666 4.510 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.643 6.133 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.335 4.839 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.471 4.912 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.972 6.592 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.373 7.287 -10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.293 7.243 -8.766 1.00 0.00 H new ATOM 782 N TYR A 53 -0.405 2.837 -5.501 1.00 0.00 N ATOM 783 CA TYR A 53 0.239 2.199 -4.363 1.00 0.00 C ATOM 784 C TYR A 53 1.746 2.517 -4.297 1.00 0.00 C ATOM 785 O TYR A 53 2.356 3.135 -5.167 1.00 0.00 O ATOM 786 CB TYR A 53 0.000 0.675 -4.441 1.00 0.00 C ATOM 787 CG TYR A 53 0.715 -0.015 -5.574 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.151 -0.082 -6.840 1.00 0.00 C ATOM 789 CD2 TYR A 53 1.944 -0.626 -5.361 1.00 0.00 C ATOM 790 CE1 TYR A 53 0.775 -0.779 -7.866 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.570 -1.326 -6.377 1.00 0.00 C ATOM 792 CZ TYR A 53 1.987 -1.415 -7.630 1.00 0.00 C ATOM 793 OH TYR A 53 2.620 -2.154 -8.615 1.00 0.00 O ATOM 0 H TYR A 53 0.143 2.810 -6.361 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.201 2.595 -3.448 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.315 0.223 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.070 0.493 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.788 0.416 -7.030 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.416 -0.554 -4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.320 -0.826 -8.844 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.519 -1.806 -6.192 1.00 0.00 H new ATOM 0 HH TYR A 53 3.589 -2.129 -8.471 1.00 0.00 H new ATOM 803 N GLY A 54 2.272 2.003 -3.177 1.00 0.00 N ATOM 804 CA GLY A 54 3.675 2.095 -2.784 1.00 0.00 C ATOM 805 C GLY A 54 4.169 0.700 -2.336 1.00 0.00 C ATOM 806 O GLY A 54 3.388 -0.244 -2.293 1.00 0.00 O ATOM 0 H GLY A 54 1.707 1.494 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.276 2.456 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.792 2.813 -1.973 1.00 0.00 H new ATOM 810 N PHE A 55 5.487 0.601 -2.032 1.00 0.00 N ATOM 811 CA PHE A 55 6.110 -0.662 -1.621 1.00 0.00 C ATOM 812 C PHE A 55 6.411 -0.522 -0.131 1.00 0.00 C ATOM 813 O PHE A 55 6.487 0.577 0.400 1.00 0.00 O ATOM 814 CB PHE A 55 7.406 -1.014 -2.391 1.00 0.00 C ATOM 815 CG PHE A 55 7.138 -1.569 -3.769 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.398 -0.849 -4.694 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.628 -2.816 -4.149 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.150 -1.341 -5.964 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.377 -3.321 -5.419 1.00 0.00 C ATOM 820 CZ PHE A 55 6.639 -2.584 -6.332 1.00 0.00 C ATOM 0 H PHE A 55 6.133 1.390 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 55 5.423 -1.479 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.025 -0.121 -2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.978 -1.743 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.006 0.118 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.210 -3.397 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.576 -0.756 -6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.759 -4.293 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.447 -2.975 -7.320 1.00 0.00 H new ATOM 830 N CYS A 56 6.522 -1.702 0.495 1.00 0.00 N ATOM 831 CA CYS A 56 6.703 -1.750 1.961 1.00 0.00 C ATOM 832 C CYS A 56 8.038 -2.478 2.238 1.00 0.00 C ATOM 833 O CYS A 56 8.532 -3.215 1.390 1.00 0.00 O ATOM 834 CB CYS A 56 5.487 -2.514 2.547 1.00 0.00 C ATOM 835 SG CYS A 56 4.605 -1.648 3.869 1.00 0.00 S ATOM 0 H CYS A 56 6.492 -2.610 0.032 1.00 0.00 H new ATOM 0 HA CYS A 56 6.748 -0.763 2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.786 -2.724 1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.831 -3.475 2.929 1.00 0.00 H new ATOM 840 N PRO A 57 8.630 -2.237 3.443 1.00 0.00 N ATOM 841 CA PRO A 57 9.977 -2.731 3.739 1.00 0.00 C ATOM 842 C PRO A 57 9.995 -4.253 3.965 1.00 0.00 C ATOM 843 O PRO A 57 8.989 -4.939 3.816 1.00 0.00 O ATOM 844 CB PRO A 57 10.355 -1.978 5.024 1.00 0.00 C ATOM 845 CG PRO A 57 9.014 -1.707 5.707 1.00 0.00 C ATOM 846 CD PRO A 57 8.037 -1.471 4.546 1.00 0.00 C ATOM 0 HA PRO A 57 10.673 -2.561 2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.011 -2.575 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.883 -1.051 4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.704 -2.551 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.070 -0.838 6.363 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.034 -1.823 4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.953 -0.412 4.300 1.00 0.00 H new ATOM 854 N GLU A 58 11.200 -4.738 4.334 1.00 0.00 N ATOM 855 CA GLU A 58 11.434 -6.159 4.613 1.00 0.00 C ATOM 856 C GLU A 58 11.417 -6.365 6.140 1.00 0.00 C ATOM 857 O GLU A 58 12.316 -6.938 6.741 1.00 0.00 O ATOM 858 CB GLU A 58 12.770 -6.597 3.964 1.00 0.00 C ATOM 859 CG GLU A 58 12.798 -8.074 3.512 1.00 0.00 C ATOM 860 CD GLU A 58 11.949 -8.333 2.252 1.00 0.00 C ATOM 861 OE1 GLU A 58 11.978 -7.520 1.328 1.00 0.00 O ATOM 862 OE2 GLU A 58 11.224 -9.323 2.199 1.00 0.00 O ATOM 0 H GLU A 58 12.029 -4.154 4.445 1.00 0.00 H new ATOM 0 HA GLU A 58 10.651 -6.783 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.968 -5.961 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.579 -6.431 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.829 -8.369 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.435 -8.704 4.324 1.00 0.00 H new ATOM 869 N THR A 59 10.339 -5.817 6.724 1.00 0.00 N ATOM 870 CA THR A 59 10.130 -5.845 8.163 1.00 0.00 C ATOM 871 C THR A 59 8.759 -5.220 8.395 1.00 0.00 C ATOM 872 O THR A 59 8.130 -4.718 7.469 1.00 0.00 O ATOM 873 CB THR A 59 11.238 -5.056 8.917 1.00 0.00 C ATOM 874 OG1 THR A 59 11.001 -4.968 10.313 1.00 0.00 O ATOM 875 CG2 THR A 59 11.522 -3.664 8.323 1.00 0.00 C ATOM 0 H THR A 59 9.597 -5.347 6.206 1.00 0.00 H new ATOM 0 HA THR A 59 10.177 -6.864 8.547 1.00 0.00 H new ATOM 0 HB THR A 59 12.139 -5.651 8.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.371 -4.239 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.305 -3.175 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.847 -3.770 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.615 -3.061 8.358 1.00 0.00 H new ATOM 883 N ALA A 60 8.389 -5.272 9.681 1.00 0.00 N ATOM 884 CA ALA A 60 7.206 -4.617 10.206 1.00 0.00 C ATOM 885 C ALA A 60 7.696 -3.377 10.982 1.00 0.00 C ATOM 886 O ALA A 60 6.861 -2.591 11.424 1.00 0.00 O ATOM 887 CB ALA A 60 6.461 -5.581 11.136 1.00 0.00 C ATOM 888 OXT ALA A 60 8.912 -3.215 11.133 1.00 0.00 O ATOM 0 H ALA A 60 8.918 -5.781 10.389 1.00 0.00 H new ATOM 0 HA ALA A 60 6.519 -4.323 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.572 -5.091 11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.167 -6.470 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.114 -5.869 11.960 1.00 0.00 H new TER 894 ALA A 60