USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 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 43 THR OG1 : rot 180:sc= 0.0685 USER MOD Set 1.2: A 44 THR OG1 : rot -129:sc= 0.0722 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.267 K(o=0.37,f=0.99) USER MOD Set 2.2: A 26 TYR OH : rot 60:sc= 0.0987 USER MOD Single : A 1 THR N :NH3+ -118:sc= 1.09 (180deg=0.0189) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.301 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 6 MET CE :methyl -107:sc= -0.32 (180deg=-3.6!) USER MOD Single : A 9 ASN : amide:sc= -0.295 K(o=-0.29,f=-10!) USER MOD Single : A 13 GLN : amide:sc= 0.841 K(o=0.84,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.197 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 169:sc= 1.46 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0495 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00874 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 29:sc= 0.115 USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.503! (180deg=-3.11!) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0.116! (180deg=-0.297!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0.39 USER MOD Single : A 59 THR OG1 : rot -97:sc= 2.22 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 10.449 4.240 10.956 1.00 0.00 N ATOM 2 CA THR A 1 10.759 5.454 10.223 1.00 0.00 C ATOM 3 C THR A 1 9.532 5.672 9.350 1.00 0.00 C ATOM 4 O THR A 1 8.653 4.820 9.382 1.00 0.00 O ATOM 5 CB THR A 1 12.043 5.198 9.401 1.00 0.00 C ATOM 6 OG1 THR A 1 12.384 3.827 9.595 1.00 0.00 O ATOM 7 CG2 THR A 1 13.196 6.098 9.870 1.00 0.00 C ATOM 0 H1 THR A 1 10.418 4.448 11.975 1.00 0.00 H new ATOM 0 H2 THR A 1 9.525 3.875 10.649 1.00 0.00 H new ATOM 0 H3 THR A 1 11.182 3.526 10.771 1.00 0.00 H new ATOM 0 HA THR A 1 10.953 6.333 10.838 1.00 0.00 H new ATOM 0 HB THR A 1 11.871 5.425 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 1 13.196 3.617 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 1 14.084 5.893 9.272 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.912 7.144 9.752 1.00 0.00 H new ATOM 0 HG23 THR A 1 13.411 5.897 10.919 1.00 0.00 H new ATOM 17 N ALA A 2 9.510 6.794 8.608 1.00 0.00 N ATOM 18 CA ALA A 2 8.390 7.042 7.707 1.00 0.00 C ATOM 19 C ALA A 2 8.562 6.147 6.468 1.00 0.00 C ATOM 20 O ALA A 2 9.672 5.764 6.119 1.00 0.00 O ATOM 21 CB ALA A 2 8.372 8.522 7.314 1.00 0.00 C ATOM 0 H ALA A 2 10.231 7.515 8.617 1.00 0.00 H new ATOM 0 HA ALA A 2 7.442 6.808 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.536 8.709 6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.262 9.135 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.306 8.777 6.813 1.00 0.00 H new ATOM 27 N LEU A 3 7.404 5.835 5.856 1.00 0.00 N ATOM 28 CA LEU A 3 7.344 4.970 4.684 1.00 0.00 C ATOM 29 C LEU A 3 6.853 5.817 3.488 1.00 0.00 C ATOM 30 O LEU A 3 5.689 6.189 3.403 1.00 0.00 O ATOM 31 CB LEU A 3 6.488 3.690 4.918 1.00 0.00 C ATOM 32 CG LEU A 3 5.592 3.617 6.180 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.358 3.526 7.510 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.476 4.664 6.228 1.00 0.00 C ATOM 0 H LEU A 3 6.494 6.178 6.165 1.00 0.00 H new ATOM 0 HA LEU A 3 8.340 4.585 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.845 3.558 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.167 2.838 4.945 1.00 0.00 H new ATOM 0 HG LEU A 3 5.094 2.655 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.648 3.479 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.977 2.629 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.992 4.405 7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.899 4.539 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.913 5.662 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.820 4.537 5.367 1.00 0.00 H new ATOM 46 N PHE A 4 7.828 6.099 2.589 1.00 0.00 N ATOM 47 CA PHE A 4 7.586 6.881 1.373 1.00 0.00 C ATOM 48 C PHE A 4 6.925 5.901 0.353 1.00 0.00 C ATOM 49 O PHE A 4 5.902 5.321 0.691 1.00 0.00 O ATOM 50 CB PHE A 4 8.884 7.674 1.021 1.00 0.00 C ATOM 51 CG PHE A 4 9.379 8.428 2.230 1.00 0.00 C ATOM 52 CD1 PHE A 4 8.819 9.659 2.561 1.00 0.00 C ATOM 53 CD2 PHE A 4 10.393 7.913 3.033 1.00 0.00 C ATOM 54 CE1 PHE A 4 9.267 10.366 3.669 1.00 0.00 C ATOM 55 CE2 PHE A 4 10.841 8.615 4.144 1.00 0.00 C ATOM 56 CZ PHE A 4 10.281 9.845 4.460 1.00 0.00 C ATOM 0 H PHE A 4 8.794 5.789 2.694 1.00 0.00 H new ATOM 0 HA PHE A 4 6.868 7.699 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.655 6.987 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.684 8.370 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.028 10.068 1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.835 6.958 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.826 11.321 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.625 8.204 4.762 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.634 10.395 5.320 1.00 0.00 H new ATOM 66 N THR A 5 7.509 5.664 -0.843 1.00 0.00 N ATOM 67 CA THR A 5 6.942 4.687 -1.775 1.00 0.00 C ATOM 68 C THR A 5 7.804 3.420 -1.827 1.00 0.00 C ATOM 69 O THR A 5 7.335 2.316 -2.073 1.00 0.00 O ATOM 70 CB THR A 5 6.944 5.301 -3.168 1.00 0.00 C ATOM 71 OG1 THR A 5 8.207 5.948 -3.304 1.00 0.00 O ATOM 72 CG2 THR A 5 5.742 6.243 -3.368 1.00 0.00 C ATOM 0 H THR A 5 8.355 6.129 -1.173 1.00 0.00 H new ATOM 0 HA THR A 5 5.936 4.429 -1.444 1.00 0.00 H new ATOM 0 HB THR A 5 6.826 4.551 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.268 6.364 -4.189 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.773 6.665 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.816 5.683 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.785 7.049 -2.635 1.00 0.00 H new ATOM 80 N MET A 6 9.094 3.674 -1.583 1.00 0.00 N ATOM 81 CA MET A 6 10.115 2.638 -1.476 1.00 0.00 C ATOM 82 C MET A 6 10.188 1.755 -2.737 1.00 0.00 C ATOM 83 O MET A 6 10.407 0.554 -2.667 1.00 0.00 O ATOM 84 CB MET A 6 9.834 1.819 -0.201 1.00 0.00 C ATOM 85 CG MET A 6 9.648 2.719 1.052 1.00 0.00 C ATOM 86 SD MET A 6 11.234 3.230 1.750 1.00 0.00 S ATOM 87 CE MET A 6 11.580 4.694 0.756 1.00 0.00 C ATOM 0 H MET A 6 9.458 4.618 -1.453 1.00 0.00 H new ATOM 0 HA MET A 6 11.098 3.102 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.937 1.217 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 6 10.658 1.126 -0.028 1.00 0.00 H new ATOM 0 HG2 MET A 6 9.068 3.602 0.783 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.076 2.179 1.806 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.377 4.472 0.046 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.681 4.986 0.213 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.891 5.511 1.407 1.00 0.00 H new ATOM 97 N GLY A 7 9.976 2.432 -3.885 1.00 0.00 N ATOM 98 CA GLY A 7 9.986 1.763 -5.188 1.00 0.00 C ATOM 99 C GLY A 7 8.639 1.926 -5.907 1.00 0.00 C ATOM 100 O GLY A 7 8.564 1.914 -7.126 1.00 0.00 O ATOM 0 H GLY A 7 9.797 3.435 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.783 2.176 -5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.204 0.703 -5.054 1.00 0.00 H new ATOM 104 N GLY A 8 7.606 2.086 -5.053 1.00 0.00 N ATOM 105 CA GLY A 8 6.203 2.292 -5.412 1.00 0.00 C ATOM 106 C GLY A 8 5.939 3.167 -6.647 1.00 0.00 C ATOM 107 O GLY A 8 6.789 3.913 -7.112 1.00 0.00 O ATOM 0 H GLY A 8 7.745 2.073 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.746 1.317 -5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.694 2.741 -4.559 1.00 0.00 H new ATOM 111 N ASN A 9 4.693 3.018 -7.147 1.00 0.00 N ATOM 112 CA ASN A 9 4.313 3.684 -8.397 1.00 0.00 C ATOM 113 C ASN A 9 3.332 4.846 -8.172 1.00 0.00 C ATOM 114 O ASN A 9 2.912 5.505 -9.118 1.00 0.00 O ATOM 115 CB ASN A 9 3.699 2.642 -9.370 1.00 0.00 C ATOM 116 CG ASN A 9 2.290 2.154 -8.965 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.741 2.558 -7.953 1.00 0.00 O ATOM 118 ND2 ASN A 9 1.667 1.366 -9.849 1.00 0.00 N ATOM 0 H ASN A 9 3.958 2.459 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 9 5.216 4.115 -8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.648 3.078 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.366 1.782 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.700 1.083 -9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.159 1.048 -10.684 1.00 0.00 H new ATOM 125 N ALA A 10 2.965 5.061 -6.898 1.00 0.00 N ATOM 126 CA ALA A 10 1.969 6.079 -6.585 1.00 0.00 C ATOM 127 C ALA A 10 2.497 7.526 -6.575 1.00 0.00 C ATOM 128 O ALA A 10 2.342 8.226 -5.586 1.00 0.00 O ATOM 129 CB ALA A 10 1.367 5.754 -5.219 1.00 0.00 C ATOM 0 H ALA A 10 3.335 4.555 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 10 1.231 6.046 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.618 6.504 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.899 4.770 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.154 5.756 -4.465 1.00 0.00 H new ATOM 135 N GLU A 11 3.097 7.957 -7.702 1.00 0.00 N ATOM 136 CA GLU A 11 3.520 9.352 -7.856 1.00 0.00 C ATOM 137 C GLU A 11 4.384 9.874 -6.674 1.00 0.00 C ATOM 138 O GLU A 11 4.303 11.034 -6.289 1.00 0.00 O ATOM 139 CB GLU A 11 2.271 10.244 -8.059 1.00 0.00 C ATOM 140 CG GLU A 11 1.545 10.079 -9.410 1.00 0.00 C ATOM 141 CD GLU A 11 0.883 8.711 -9.644 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.326 8.120 -8.715 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.931 8.211 -10.768 1.00 0.00 O ATOM 0 H GLU A 11 3.295 7.363 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 11 4.165 9.399 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.562 10.033 -7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.571 11.287 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.780 10.851 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.261 10.258 -10.212 1.00 0.00 H new ATOM 150 N GLY A 12 5.206 8.964 -6.107 1.00 0.00 N ATOM 151 CA GLY A 12 6.081 9.358 -4.987 1.00 0.00 C ATOM 152 C GLY A 12 5.308 9.611 -3.666 1.00 0.00 C ATOM 153 O GLY A 12 5.904 9.963 -2.657 1.00 0.00 O ATOM 0 H GLY A 12 5.281 7.988 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.823 8.577 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.625 10.262 -5.260 1.00 0.00 H new ATOM 157 N GLN A 13 3.970 9.441 -3.712 1.00 0.00 N ATOM 158 CA GLN A 13 3.135 9.674 -2.540 1.00 0.00 C ATOM 159 C GLN A 13 3.394 8.586 -1.470 1.00 0.00 C ATOM 160 O GLN A 13 3.560 7.416 -1.791 1.00 0.00 O ATOM 161 CB GLN A 13 1.640 9.715 -2.924 1.00 0.00 C ATOM 162 CG GLN A 13 1.229 10.787 -3.958 1.00 0.00 C ATOM 163 CD GLN A 13 1.823 12.179 -3.630 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.272 12.904 -2.815 1.00 0.00 O ATOM 165 NE2 GLN A 13 2.966 12.527 -4.249 1.00 0.00 N ATOM 0 H GLN A 13 3.459 9.146 -4.544 1.00 0.00 H new ATOM 0 HA GLN A 13 3.400 10.645 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.360 8.737 -3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.058 9.874 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.560 10.478 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.142 10.857 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.394 11.893 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.404 13.425 -4.044 1.00 0.00 H new ATOM 174 N PRO A 14 3.421 9.015 -0.181 1.00 0.00 N ATOM 175 CA PRO A 14 3.764 8.129 0.931 1.00 0.00 C ATOM 176 C PRO A 14 2.688 7.065 1.206 1.00 0.00 C ATOM 177 O PRO A 14 1.497 7.339 1.097 1.00 0.00 O ATOM 178 CB PRO A 14 3.862 9.087 2.133 1.00 0.00 C ATOM 179 CG PRO A 14 2.952 10.265 1.774 1.00 0.00 C ATOM 180 CD PRO A 14 3.096 10.375 0.257 1.00 0.00 C ATOM 0 HA PRO A 14 4.675 7.568 0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.535 8.602 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.889 9.416 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.919 10.078 2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.265 11.181 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.175 10.731 -0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.882 11.079 -0.017 1.00 0.00 H new ATOM 188 N CYS A 15 3.168 5.865 1.615 1.00 0.00 N ATOM 189 CA CYS A 15 2.271 4.792 2.050 1.00 0.00 C ATOM 190 C CYS A 15 1.239 5.356 3.046 1.00 0.00 C ATOM 191 O CYS A 15 1.552 6.182 3.897 1.00 0.00 O ATOM 192 CB CYS A 15 3.042 3.737 2.858 1.00 0.00 C ATOM 193 SG CYS A 15 3.956 2.509 1.896 1.00 0.00 S ATOM 0 H CYS A 15 4.159 5.628 1.649 1.00 0.00 H new ATOM 0 HA CYS A 15 1.816 4.370 1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.745 4.252 3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.335 3.212 3.500 1.00 0.00 H new ATOM 198 N LYS A 16 0.000 4.869 2.869 1.00 0.00 N ATOM 199 CA LYS A 16 -1.116 5.341 3.664 1.00 0.00 C ATOM 200 C LYS A 16 -1.713 4.191 4.463 1.00 0.00 C ATOM 201 O LYS A 16 -1.969 3.103 3.963 1.00 0.00 O ATOM 202 CB LYS A 16 -2.206 5.879 2.726 1.00 0.00 C ATOM 203 CG LYS A 16 -3.328 6.694 3.432 1.00 0.00 C ATOM 204 CD LYS A 16 -2.756 7.984 4.038 1.00 0.00 C ATOM 205 CE LYS A 16 -2.531 7.932 5.557 1.00 0.00 C ATOM 206 NZ LYS A 16 -2.288 9.249 6.142 1.00 0.00 N ATOM 0 H LYS A 16 -0.241 4.153 2.183 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.762 6.119 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.737 6.510 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.661 5.039 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.113 6.938 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.787 6.090 4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.807 8.209 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.434 8.807 3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.403 7.484 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.682 7.283 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.143 9.152 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.440 9.669 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.108 9.864 5.965 1.00 0.00 H new ATOM 220 N PHE A 17 -1.945 4.543 5.731 1.00 0.00 N ATOM 221 CA PHE A 17 -2.623 3.688 6.679 1.00 0.00 C ATOM 222 C PHE A 17 -3.664 4.628 7.305 1.00 0.00 C ATOM 223 O PHE A 17 -3.294 5.740 7.683 1.00 0.00 O ATOM 224 CB PHE A 17 -1.617 3.179 7.732 1.00 0.00 C ATOM 225 CG PHE A 17 -0.468 2.430 7.108 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.689 1.298 6.333 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.840 2.861 7.293 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.372 0.617 5.756 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.902 2.177 6.725 1.00 0.00 C ATOM 230 CZ PHE A 17 1.672 1.047 5.958 1.00 0.00 C ATOM 0 H PHE A 17 -1.660 5.441 6.121 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.074 2.799 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.231 4.025 8.301 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.132 2.528 8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.698 0.945 6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.031 3.742 7.888 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.183 -0.254 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.912 2.526 6.881 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.499 0.507 5.522 1.00 0.00 H new ATOM 240 N PRO A 18 -4.955 4.215 7.377 1.00 0.00 N ATOM 241 CA PRO A 18 -5.520 3.008 6.773 1.00 0.00 C ATOM 242 C PRO A 18 -5.865 3.205 5.279 1.00 0.00 C ATOM 243 O PRO A 18 -6.379 4.242 4.882 1.00 0.00 O ATOM 244 CB PRO A 18 -6.815 2.792 7.566 1.00 0.00 C ATOM 245 CG PRO A 18 -7.250 4.202 7.978 1.00 0.00 C ATOM 246 CD PRO A 18 -5.939 4.979 8.141 1.00 0.00 C ATOM 0 HA PRO A 18 -4.820 2.174 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.576 2.303 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.647 2.158 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.889 4.657 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.819 4.186 8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.032 5.996 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.652 5.056 9.190 1.00 0.00 H new ATOM 254 N PHE A 19 -5.570 2.153 4.493 1.00 0.00 N ATOM 255 CA PHE A 19 -5.937 2.101 3.079 1.00 0.00 C ATOM 256 C PHE A 19 -6.943 0.948 2.968 1.00 0.00 C ATOM 257 O PHE A 19 -6.770 -0.097 3.581 1.00 0.00 O ATOM 258 CB PHE A 19 -4.745 1.885 2.121 1.00 0.00 C ATOM 259 CG PHE A 19 -3.983 0.575 2.346 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.250 0.288 3.511 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.010 -0.391 1.332 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.540 -0.895 3.631 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.285 -1.597 1.462 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.548 -1.830 2.611 1.00 0.00 C ATOM 0 H PHE A 19 -5.074 1.325 4.823 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.349 3.062 2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.111 1.907 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.051 2.718 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.241 1.000 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.592 -0.212 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.974 -1.090 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.306 -2.332 0.671 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.979 -2.742 2.711 1.00 0.00 H new ATOM 274 N ARG A 20 -8.018 1.195 2.202 1.00 0.00 N ATOM 275 CA ARG A 20 -9.084 0.205 2.081 1.00 0.00 C ATOM 276 C ARG A 20 -8.971 -0.495 0.713 1.00 0.00 C ATOM 277 O ARG A 20 -8.964 0.160 -0.320 1.00 0.00 O ATOM 278 CB ARG A 20 -10.412 0.963 2.283 1.00 0.00 C ATOM 279 CG ARG A 20 -11.599 0.081 2.693 1.00 0.00 C ATOM 280 CD ARG A 20 -12.394 -0.496 1.487 1.00 0.00 C ATOM 281 NE ARG A 20 -12.782 0.523 0.473 1.00 0.00 N ATOM 282 CZ ARG A 20 -13.748 1.434 0.745 1.00 0.00 C ATOM 283 NH1 ARG A 20 -14.369 1.428 1.922 1.00 0.00 N ATOM 284 NH2 ARG A 20 -14.077 2.334 -0.173 1.00 0.00 N ATOM 0 H ARG A 20 -8.165 2.053 1.671 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.020 -0.587 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.265 1.728 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.664 1.480 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.233 -0.744 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.276 0.665 3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.792 -1.265 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.295 -0.984 1.859 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.317 0.536 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.119 0.735 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.095 2.117 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.604 2.337 -1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.803 3.022 0.025 1.00 0.00 H new ATOM 298 N PHE A 21 -8.866 -1.842 0.756 1.00 0.00 N ATOM 299 CA PHE A 21 -8.748 -2.641 -0.469 1.00 0.00 C ATOM 300 C PHE A 21 -9.668 -3.867 -0.307 1.00 0.00 C ATOM 301 O PHE A 21 -9.790 -4.426 0.775 1.00 0.00 O ATOM 302 CB PHE A 21 -7.276 -3.055 -0.679 1.00 0.00 C ATOM 303 CG PHE A 21 -7.056 -4.061 -1.791 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.737 -3.942 -2.989 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.176 -5.128 -1.652 1.00 0.00 C ATOM 306 CE1 PHE A 21 -7.544 -4.831 -4.037 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.976 -6.036 -2.687 1.00 0.00 C ATOM 308 CZ PHE A 21 -6.655 -5.885 -3.887 1.00 0.00 C ATOM 0 H PHE A 21 -8.861 -2.387 1.618 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.050 -2.073 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.688 -2.162 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.893 -3.473 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.441 -3.132 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.638 -5.254 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.083 -4.703 -4.964 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.291 -6.860 -2.556 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.493 -6.581 -4.697 1.00 0.00 H new ATOM 318 N GLN A 22 -10.328 -4.231 -1.426 1.00 0.00 N ATOM 319 CA GLN A 22 -11.268 -5.349 -1.498 1.00 0.00 C ATOM 320 C GLN A 22 -12.472 -5.123 -0.556 1.00 0.00 C ATOM 321 O GLN A 22 -13.144 -6.062 -0.151 1.00 0.00 O ATOM 322 CB GLN A 22 -10.616 -6.733 -1.192 1.00 0.00 C ATOM 323 CG GLN A 22 -9.387 -7.134 -2.048 1.00 0.00 C ATOM 324 CD GLN A 22 -8.638 -8.368 -1.508 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.266 -9.248 -2.273 1.00 0.00 O ATOM 326 NE2 GLN A 22 -8.409 -8.410 -0.192 1.00 0.00 N ATOM 0 H GLN A 22 -10.215 -3.743 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.609 -5.378 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.317 -6.743 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.379 -7.502 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.715 -7.335 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.697 -6.292 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.738 -7.653 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.905 -9.199 0.213 1.00 0.00 H new ATOM 335 N GLY A 23 -12.703 -3.836 -0.217 1.00 0.00 N ATOM 336 CA GLY A 23 -13.805 -3.528 0.688 1.00 0.00 C ATOM 337 C GLY A 23 -13.416 -3.687 2.171 1.00 0.00 C ATOM 338 O GLY A 23 -14.252 -3.534 3.050 1.00 0.00 O ATOM 0 H GLY A 23 -12.163 -3.035 -0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.140 -2.506 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.647 -4.183 0.465 1.00 0.00 H new ATOM 342 N THR A 24 -12.124 -3.986 2.411 1.00 0.00 N ATOM 343 CA THR A 24 -11.618 -4.197 3.763 1.00 0.00 C ATOM 344 C THR A 24 -10.533 -3.155 4.084 1.00 0.00 C ATOM 345 O THR A 24 -9.692 -2.826 3.259 1.00 0.00 O ATOM 346 CB THR A 24 -11.061 -5.631 3.820 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.936 -6.539 3.180 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.780 -6.105 5.253 1.00 0.00 C ATOM 0 H THR A 24 -11.420 -4.085 1.680 1.00 0.00 H new ATOM 0 HA THR A 24 -12.405 -4.077 4.507 1.00 0.00 H new ATOM 0 HB THR A 24 -10.109 -5.608 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.561 -7.443 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.389 -7.122 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.047 -5.445 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.704 -6.084 5.831 1.00 0.00 H new ATOM 356 N SER A 25 -10.619 -2.636 5.321 1.00 0.00 N ATOM 357 CA SER A 25 -9.687 -1.631 5.808 1.00 0.00 C ATOM 358 C SER A 25 -8.393 -2.319 6.284 1.00 0.00 C ATOM 359 O SER A 25 -8.417 -3.232 7.101 1.00 0.00 O ATOM 360 CB SER A 25 -10.392 -0.884 6.952 1.00 0.00 C ATOM 361 OG SER A 25 -11.390 -1.729 7.521 1.00 0.00 O ATOM 0 H SER A 25 -11.333 -2.905 5.998 1.00 0.00 H new ATOM 0 HA SER A 25 -9.405 -0.924 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.668 -0.594 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.846 0.033 6.577 1.00 0.00 H new ATOM 0 HG SER A 25 -11.841 -1.257 8.252 1.00 0.00 H new ATOM 367 N TYR A 26 -7.271 -1.830 5.724 1.00 0.00 N ATOM 368 CA TYR A 26 -5.949 -2.354 6.038 1.00 0.00 C ATOM 369 C TYR A 26 -5.101 -1.218 6.624 1.00 0.00 C ATOM 370 O TYR A 26 -5.018 -0.130 6.068 1.00 0.00 O ATOM 371 CB TYR A 26 -5.286 -2.881 4.753 1.00 0.00 C ATOM 372 CG TYR A 26 -6.035 -3.997 4.066 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.820 -4.908 4.770 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.932 -4.153 2.688 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.451 -5.951 4.115 1.00 0.00 C ATOM 376 CE2 TYR A 26 -6.564 -5.210 2.049 1.00 0.00 C ATOM 377 CZ TYR A 26 -7.312 -6.114 2.761 1.00 0.00 C ATOM 378 OH TYR A 26 -7.901 -7.188 2.138 1.00 0.00 O ATOM 0 H TYR A 26 -7.265 -1.067 5.048 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.031 -3.169 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.174 -2.053 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.283 -3.231 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.937 -4.799 5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.355 -3.446 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.060 -6.644 4.677 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.466 -5.323 0.979 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.871 -7.155 2.276 1.00 0.00 H new ATOM 388 N ASP A 27 -4.478 -1.543 7.773 1.00 0.00 N ATOM 389 CA ASP A 27 -3.633 -0.584 8.484 1.00 0.00 C ATOM 390 C ASP A 27 -2.200 -1.134 8.597 1.00 0.00 C ATOM 391 O ASP A 27 -1.463 -0.864 9.534 1.00 0.00 O ATOM 392 CB ASP A 27 -4.286 -0.287 9.848 1.00 0.00 C ATOM 393 CG ASP A 27 -3.936 1.122 10.353 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.218 2.084 9.638 1.00 0.00 O ATOM 395 OD2 ASP A 27 -3.403 1.247 11.452 1.00 0.00 O ATOM 0 H ASP A 27 -4.547 -2.457 8.220 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.552 0.358 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.368 -0.384 9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.957 -1.027 10.578 1.00 0.00 H new ATOM 400 N SER A 28 -1.845 -1.946 7.580 1.00 0.00 N ATOM 401 CA SER A 28 -0.513 -2.526 7.553 1.00 0.00 C ATOM 402 C SER A 28 -0.297 -3.096 6.147 1.00 0.00 C ATOM 403 O SER A 28 -1.239 -3.281 5.385 1.00 0.00 O ATOM 404 CB SER A 28 -0.393 -3.616 8.647 1.00 0.00 C ATOM 405 OG SER A 28 -1.420 -4.582 8.511 1.00 0.00 O ATOM 0 H SER A 28 -2.448 -2.201 6.798 1.00 0.00 H new ATOM 0 HA SER A 28 0.255 -1.782 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.580 -4.102 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.450 -3.155 9.633 1.00 0.00 H new ATOM 0 HG SER A 28 -1.324 -5.262 9.210 1.00 0.00 H new ATOM 411 N CYS A 29 0.994 -3.339 5.868 1.00 0.00 N ATOM 412 CA CYS A 29 1.452 -3.876 4.590 1.00 0.00 C ATOM 413 C CYS A 29 0.756 -5.215 4.245 1.00 0.00 C ATOM 414 O CYS A 29 0.725 -6.104 5.086 1.00 0.00 O ATOM 415 CB CYS A 29 2.947 -4.141 4.790 1.00 0.00 C ATOM 416 SG CYS A 29 3.777 -2.731 5.547 1.00 0.00 S ATOM 0 H CYS A 29 1.749 -3.165 6.532 1.00 0.00 H new ATOM 0 HA CYS A 29 1.232 -3.182 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.080 -5.022 5.418 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.409 -4.362 3.828 1.00 0.00 H new ATOM 421 N THR A 30 0.223 -5.338 3.005 1.00 0.00 N ATOM 422 CA THR A 30 -0.425 -6.595 2.607 1.00 0.00 C ATOM 423 C THR A 30 0.270 -7.154 1.359 1.00 0.00 C ATOM 424 O THR A 30 0.854 -6.420 0.576 1.00 0.00 O ATOM 425 CB THR A 30 -1.934 -6.391 2.348 1.00 0.00 C ATOM 426 OG1 THR A 30 -2.477 -7.672 2.064 1.00 0.00 O ATOM 427 CG2 THR A 30 -2.227 -5.448 1.160 1.00 0.00 C ATOM 0 H THR A 30 0.230 -4.608 2.293 1.00 0.00 H new ATOM 0 HA THR A 30 -0.330 -7.311 3.423 1.00 0.00 H new ATOM 0 HB THR A 30 -2.379 -5.926 3.228 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.456 -7.620 2.063 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.305 -5.348 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.792 -4.468 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.791 -5.862 0.251 1.00 0.00 H new ATOM 435 N THR A 31 0.150 -8.483 1.205 1.00 0.00 N ATOM 436 CA THR A 31 0.665 -9.179 0.033 1.00 0.00 C ATOM 437 C THR A 31 -0.501 -9.551 -0.899 1.00 0.00 C ATOM 438 O THR A 31 -0.302 -10.176 -1.931 1.00 0.00 O ATOM 439 CB THR A 31 1.408 -10.441 0.493 1.00 0.00 C ATOM 440 OG1 THR A 31 0.680 -10.963 1.596 1.00 0.00 O ATOM 441 CG2 THR A 31 2.852 -10.115 0.900 1.00 0.00 C ATOM 0 H THR A 31 -0.303 -9.092 1.886 1.00 0.00 H new ATOM 0 HA THR A 31 1.354 -8.535 -0.514 1.00 0.00 H new ATOM 0 HB THR A 31 1.469 -11.169 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.120 -11.775 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.354 -11.027 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.383 -9.689 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.846 -9.396 1.720 1.00 0.00 H new ATOM 449 N GLU A 32 -1.730 -9.147 -0.516 1.00 0.00 N ATOM 450 CA GLU A 32 -2.868 -9.473 -1.373 1.00 0.00 C ATOM 451 C GLU A 32 -2.700 -8.812 -2.757 1.00 0.00 C ATOM 452 O GLU A 32 -2.776 -7.598 -2.897 1.00 0.00 O ATOM 453 CB GLU A 32 -4.156 -9.007 -0.689 1.00 0.00 C ATOM 454 CG GLU A 32 -4.463 -9.844 0.565 1.00 0.00 C ATOM 455 CD GLU A 32 -5.503 -9.143 1.439 1.00 0.00 C ATOM 456 OE1 GLU A 32 -5.216 -8.061 1.941 1.00 0.00 O ATOM 457 OE2 GLU A 32 -6.602 -9.660 1.611 1.00 0.00 O ATOM 0 H GLU A 32 -1.946 -8.624 0.333 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.920 -10.551 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.063 -7.957 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.988 -9.080 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.830 -10.827 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.548 -10.003 1.136 1.00 0.00 H new ATOM 464 N GLY A 33 -2.456 -9.688 -3.753 1.00 0.00 N ATOM 465 CA GLY A 33 -2.268 -9.254 -5.135 1.00 0.00 C ATOM 466 C GLY A 33 -0.823 -9.445 -5.623 1.00 0.00 C ATOM 467 O GLY A 33 -0.568 -9.461 -6.819 1.00 0.00 O ATOM 0 H GLY A 33 -2.386 -10.697 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.943 -9.813 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.541 -8.202 -5.222 1.00 0.00 H new ATOM 471 N ARG A 34 0.103 -9.584 -4.654 1.00 0.00 N ATOM 472 CA ARG A 34 1.521 -9.761 -5.018 1.00 0.00 C ATOM 473 C ARG A 34 2.071 -11.050 -4.395 1.00 0.00 C ATOM 474 O ARG A 34 2.152 -11.205 -3.183 1.00 0.00 O ATOM 475 CB ARG A 34 2.331 -8.582 -4.475 1.00 0.00 C ATOM 476 CG ARG A 34 1.934 -7.260 -5.154 1.00 0.00 C ATOM 477 CD ARG A 34 3.064 -6.207 -5.111 1.00 0.00 C ATOM 478 NE ARG A 34 4.067 -6.509 -6.148 1.00 0.00 N ATOM 479 CZ ARG A 34 4.273 -5.749 -7.248 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.585 -4.627 -7.426 1.00 0.00 N ATOM 481 NH2 ARG A 34 5.171 -6.140 -8.141 1.00 0.00 N ATOM 0 H ARG A 34 -0.093 -9.578 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 34 1.600 -9.815 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.177 -8.499 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.394 -8.767 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.664 -7.456 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.048 -6.856 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.651 -5.211 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.534 -6.204 -4.127 1.00 0.00 H new ATOM 0 HE ARG A 34 4.642 -7.343 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.897 -4.335 -6.732 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.744 -4.058 -8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.695 -7.003 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.338 -5.578 -8.976 1.00 0.00 H new ATOM 495 N THR A 35 2.496 -11.941 -5.306 1.00 0.00 N ATOM 496 CA THR A 35 3.079 -13.215 -4.914 1.00 0.00 C ATOM 497 C THR A 35 4.581 -13.217 -5.245 1.00 0.00 C ATOM 498 O THR A 35 5.161 -14.253 -5.538 1.00 0.00 O ATOM 499 CB THR A 35 2.345 -14.301 -5.717 1.00 0.00 C ATOM 500 OG1 THR A 35 2.343 -13.953 -7.093 1.00 0.00 O ATOM 501 CG2 THR A 35 0.878 -14.424 -5.289 1.00 0.00 C ATOM 0 H THR A 35 2.443 -11.794 -6.314 1.00 0.00 H new ATOM 0 HA THR A 35 2.974 -13.393 -3.844 1.00 0.00 H new ATOM 0 HB THR A 35 2.864 -15.242 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.877 -14.646 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.391 -15.201 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.828 -14.685 -4.232 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.370 -13.473 -5.452 1.00 0.00 H new ATOM 509 N ASP A 36 5.161 -12.000 -5.192 1.00 0.00 N ATOM 510 CA ASP A 36 6.569 -11.788 -5.523 1.00 0.00 C ATOM 511 C ASP A 36 7.414 -11.389 -4.290 1.00 0.00 C ATOM 512 O ASP A 36 8.605 -11.127 -4.408 1.00 0.00 O ATOM 513 CB ASP A 36 6.662 -10.729 -6.641 1.00 0.00 C ATOM 514 CG ASP A 36 6.013 -9.376 -6.294 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.670 -9.138 -5.139 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.847 -8.555 -7.195 1.00 0.00 O ATOM 0 H ASP A 36 4.665 -11.151 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 36 6.989 -12.730 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.712 -10.563 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.189 -11.125 -7.540 1.00 0.00 H new ATOM 521 N GLY A 37 6.759 -11.383 -3.105 1.00 0.00 N ATOM 522 CA GLY A 37 7.468 -11.068 -1.862 1.00 0.00 C ATOM 523 C GLY A 37 7.318 -9.608 -1.424 1.00 0.00 C ATOM 524 O GLY A 37 7.693 -9.224 -0.319 1.00 0.00 O ATOM 0 H GLY A 37 5.766 -11.588 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.098 -11.717 -1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.527 -11.293 -1.990 1.00 0.00 H new ATOM 528 N TYR A 38 6.787 -8.800 -2.356 1.00 0.00 N ATOM 529 CA TYR A 38 6.712 -7.372 -2.088 1.00 0.00 C ATOM 530 C TYR A 38 5.355 -7.044 -1.457 1.00 0.00 C ATOM 531 O TYR A 38 4.321 -7.004 -2.109 1.00 0.00 O ATOM 532 CB TYR A 38 7.052 -6.598 -3.376 1.00 0.00 C ATOM 533 CG TYR A 38 8.244 -7.198 -4.094 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.315 -7.764 -3.413 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.280 -7.262 -5.476 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.331 -8.418 -4.068 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.298 -7.912 -6.138 1.00 0.00 C ATOM 538 CZ TYR A 38 10.327 -8.511 -5.443 1.00 0.00 C ATOM 539 OH TYR A 38 11.315 -9.203 -6.109 1.00 0.00 O ATOM 0 H TYR A 38 6.421 -9.101 -3.259 1.00 0.00 H new ATOM 0 HA TYR A 38 7.452 -7.052 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.188 -6.601 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.262 -5.557 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.350 -7.688 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.493 -6.792 -6.048 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.137 -8.861 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.290 -7.953 -7.217 1.00 0.00 H new ATOM 0 HH TYR A 38 11.149 -9.163 -7.074 1.00 0.00 H new ATOM 549 N ARG A 39 5.429 -6.820 -0.132 1.00 0.00 N ATOM 550 CA ARG A 39 4.188 -6.432 0.577 1.00 0.00 C ATOM 551 C ARG A 39 3.989 -4.950 0.212 1.00 0.00 C ATOM 552 O ARG A 39 4.944 -4.184 0.258 1.00 0.00 O ATOM 553 CB ARG A 39 4.421 -6.547 2.095 1.00 0.00 C ATOM 554 CG ARG A 39 4.986 -7.880 2.626 1.00 0.00 C ATOM 555 CD ARG A 39 6.137 -7.749 3.664 1.00 0.00 C ATOM 556 NE ARG A 39 6.027 -6.596 4.572 1.00 0.00 N ATOM 557 CZ ARG A 39 6.676 -5.422 4.355 1.00 0.00 C ATOM 558 NH1 ARG A 39 7.331 -5.190 3.227 1.00 0.00 N ATOM 559 NH2 ARG A 39 6.672 -4.460 5.267 1.00 0.00 N ATOM 0 H ARG A 39 6.270 -6.893 0.440 1.00 0.00 H new ATOM 0 HA ARG A 39 3.334 -7.054 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.102 -5.750 2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.472 -6.359 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.172 -8.445 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.347 -8.465 1.780 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.173 -8.660 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.084 -7.681 3.128 1.00 0.00 H new ATOM 0 HE ARG A 39 5.438 -6.682 5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.356 -5.901 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.810 -4.300 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.176 -4.595 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.164 -3.585 5.087 1.00 0.00 H new ATOM 573 N TRP A 40 2.756 -4.587 -0.180 1.00 0.00 N ATOM 574 CA TRP A 40 2.489 -3.229 -0.626 1.00 0.00 C ATOM 575 C TRP A 40 1.487 -2.533 0.319 1.00 0.00 C ATOM 576 O TRP A 40 0.794 -3.163 1.113 1.00 0.00 O ATOM 577 CB TRP A 40 2.002 -3.276 -2.090 1.00 0.00 C ATOM 578 CG TRP A 40 0.668 -3.994 -2.198 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.472 -5.373 -2.345 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.649 -3.402 -2.154 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.855 -5.633 -2.394 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.573 -4.459 -2.278 1.00 0.00 C ATOM 583 CE3 TRP A 40 -1.106 -2.119 -2.014 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.909 -4.210 -2.259 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.481 -1.854 -1.988 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.385 -2.910 -2.111 1.00 0.00 C ATOM 0 H TRP A 40 1.948 -5.210 -0.194 1.00 0.00 H new ATOM 0 HA TRP A 40 3.399 -2.631 -0.592 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.905 -2.262 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.743 -3.784 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.257 -6.112 -2.409 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.265 -6.561 -2.501 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.401 -1.306 -1.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.607 -5.028 -2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.839 -0.841 -1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.448 -2.720 -2.091 1.00 0.00 H new ATOM 597 N CYS A 41 1.469 -1.193 0.166 1.00 0.00 N ATOM 598 CA CYS A 41 0.594 -0.288 0.885 1.00 0.00 C ATOM 599 C CYS A 41 -0.155 0.560 -0.158 1.00 0.00 C ATOM 600 O CYS A 41 0.380 0.866 -1.221 1.00 0.00 O ATOM 601 CB CYS A 41 1.456 0.644 1.742 1.00 0.00 C ATOM 602 SG CYS A 41 2.525 1.691 0.695 1.00 0.00 S ATOM 0 H CYS A 41 2.088 -0.711 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.104 -0.838 1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.815 1.274 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.071 0.054 2.421 1.00 0.00 H new ATOM 607 N GLY A 42 -1.398 0.932 0.192 1.00 0.00 N ATOM 608 CA GLY A 42 -2.153 1.827 -0.675 1.00 0.00 C ATOM 609 C GLY A 42 -1.792 3.262 -0.285 1.00 0.00 C ATOM 610 O GLY A 42 -1.145 3.486 0.731 1.00 0.00 O ATOM 0 H GLY A 42 -1.881 0.635 1.040 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.910 1.642 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.224 1.657 -0.562 1.00 0.00 H new ATOM 614 N THR A 43 -2.259 4.206 -1.117 1.00 0.00 N ATOM 615 CA THR A 43 -2.049 5.628 -0.864 1.00 0.00 C ATOM 616 C THR A 43 -3.417 6.281 -0.645 1.00 0.00 C ATOM 617 O THR A 43 -3.716 6.785 0.426 1.00 0.00 O ATOM 618 CB THR A 43 -1.309 6.235 -2.054 1.00 0.00 C ATOM 619 OG1 THR A 43 -1.850 5.588 -3.197 1.00 0.00 O ATOM 620 CG2 THR A 43 0.207 6.026 -1.891 1.00 0.00 C ATOM 0 H THR A 43 -2.783 4.004 -1.968 1.00 0.00 H new ATOM 0 HA THR A 43 -1.442 5.793 0.026 1.00 0.00 H new ATOM 0 HB THR A 43 -1.440 7.314 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.417 5.934 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.728 6.462 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.544 6.509 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.424 4.959 -1.840 1.00 0.00 H new ATOM 628 N THR A 44 -4.245 6.223 -1.701 1.00 0.00 N ATOM 629 CA THR A 44 -5.594 6.755 -1.564 1.00 0.00 C ATOM 630 C THR A 44 -6.377 5.867 -0.570 1.00 0.00 C ATOM 631 O THR A 44 -6.062 4.697 -0.376 1.00 0.00 O ATOM 632 CB THR A 44 -6.248 6.826 -2.955 1.00 0.00 C ATOM 633 OG1 THR A 44 -5.214 7.047 -3.905 1.00 0.00 O ATOM 634 CG2 THR A 44 -7.279 7.968 -3.024 1.00 0.00 C ATOM 0 H THR A 44 -4.013 5.832 -2.614 1.00 0.00 H new ATOM 0 HA THR A 44 -5.588 7.768 -1.162 1.00 0.00 H new ATOM 0 HB THR A 44 -6.776 5.896 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.453 7.805 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.726 7.995 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.058 7.800 -2.280 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.784 8.918 -2.823 1.00 0.00 H new ATOM 642 N GLU A 45 -7.398 6.484 0.054 1.00 0.00 N ATOM 643 CA GLU A 45 -8.190 5.809 1.080 1.00 0.00 C ATOM 644 C GLU A 45 -8.899 4.539 0.551 1.00 0.00 C ATOM 645 O GLU A 45 -9.236 3.647 1.320 1.00 0.00 O ATOM 646 CB GLU A 45 -9.178 6.788 1.760 1.00 0.00 C ATOM 647 CG GLU A 45 -8.491 8.018 2.398 1.00 0.00 C ATOM 648 CD GLU A 45 -7.981 9.077 1.398 1.00 0.00 C ATOM 649 OE1 GLU A 45 -8.493 9.145 0.279 1.00 0.00 O ATOM 650 OE2 GLU A 45 -7.062 9.814 1.746 1.00 0.00 O ATOM 0 H GLU A 45 -7.687 7.443 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.491 5.464 1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.903 7.130 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.734 6.253 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.195 8.495 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.649 7.673 2.999 1.00 0.00 H new ATOM 657 N ASP A 46 -9.089 4.503 -0.786 1.00 0.00 N ATOM 658 CA ASP A 46 -9.660 3.351 -1.481 1.00 0.00 C ATOM 659 C ASP A 46 -8.596 2.960 -2.501 1.00 0.00 C ATOM 660 O ASP A 46 -8.026 3.816 -3.164 1.00 0.00 O ATOM 661 CB ASP A 46 -11.013 3.651 -2.172 1.00 0.00 C ATOM 662 CG ASP A 46 -11.582 2.361 -2.772 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.220 2.028 -3.892 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.376 1.700 -2.111 1.00 0.00 O ATOM 0 H ASP A 46 -8.848 5.277 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.896 2.553 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.716 4.070 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.876 4.398 -2.954 1.00 0.00 H new ATOM 669 N TYR A 47 -8.334 1.649 -2.567 1.00 0.00 N ATOM 670 CA TYR A 47 -7.311 1.180 -3.495 1.00 0.00 C ATOM 671 C TYR A 47 -7.924 0.672 -4.800 1.00 0.00 C ATOM 672 O TYR A 47 -7.351 0.844 -5.868 1.00 0.00 O ATOM 673 CB TYR A 47 -6.512 0.043 -2.851 1.00 0.00 C ATOM 674 CG TYR A 47 -5.459 -0.454 -3.801 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.300 0.277 -3.992 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.629 -1.631 -4.519 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.321 -0.179 -4.851 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.636 -2.101 -5.363 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.470 -1.372 -5.532 1.00 0.00 C ATOM 680 OH TYR A 47 -2.458 -1.802 -6.365 1.00 0.00 O ATOM 0 H TYR A 47 -8.795 0.926 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.660 2.024 -3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.045 0.393 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.181 -0.773 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.161 1.210 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.549 -2.188 -4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.424 0.406 -4.993 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.771 -3.035 -5.889 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.599 -1.464 -6.037 1.00 0.00 H new ATOM 690 N ASP A 48 -9.077 -0.005 -4.662 1.00 0.00 N ATOM 691 CA ASP A 48 -9.687 -0.664 -5.806 1.00 0.00 C ATOM 692 C ASP A 48 -9.917 0.317 -6.976 1.00 0.00 C ATOM 693 O ASP A 48 -9.722 -0.006 -8.141 1.00 0.00 O ATOM 694 CB ASP A 48 -11.007 -1.344 -5.373 1.00 0.00 C ATOM 695 CG ASP A 48 -10.783 -2.313 -4.195 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.751 -1.864 -3.051 1.00 0.00 O ATOM 697 OD2 ASP A 48 -10.628 -3.511 -4.417 1.00 0.00 O ATOM 0 H ASP A 48 -9.589 -0.104 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.000 -1.428 -6.170 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.733 -0.583 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.432 -1.888 -6.217 1.00 0.00 H new ATOM 702 N ARG A 49 -10.343 1.529 -6.581 1.00 0.00 N ATOM 703 CA ARG A 49 -10.609 2.611 -7.521 1.00 0.00 C ATOM 704 C ARG A 49 -9.292 3.155 -8.124 1.00 0.00 C ATOM 705 O ARG A 49 -9.121 3.243 -9.339 1.00 0.00 O ATOM 706 CB ARG A 49 -11.421 3.715 -6.798 1.00 0.00 C ATOM 707 CG ARG A 49 -11.891 4.863 -7.700 1.00 0.00 C ATOM 708 CD ARG A 49 -10.827 5.974 -7.807 1.00 0.00 C ATOM 709 NE ARG A 49 -11.418 7.252 -7.417 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.751 8.270 -6.819 1.00 0.00 C ATOM 711 NH1 ARG A 49 -9.506 8.128 -6.378 1.00 0.00 N ATOM 712 NH2 ARG A 49 -11.365 9.439 -6.666 1.00 0.00 N ATOM 0 H ARG A 49 -10.509 1.777 -5.606 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.200 2.238 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.294 3.258 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.810 4.129 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.115 4.477 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.816 5.282 -7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.978 5.742 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.448 6.032 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.410 7.389 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.026 7.235 -6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.030 8.912 -5.932 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.323 9.559 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.879 10.216 -6.218 1.00 0.00 H new ATOM 726 N ASP A 50 -8.380 3.537 -7.212 1.00 0.00 N ATOM 727 CA ASP A 50 -7.116 4.155 -7.611 1.00 0.00 C ATOM 728 C ASP A 50 -6.169 3.173 -8.338 1.00 0.00 C ATOM 729 O ASP A 50 -5.863 3.358 -9.512 1.00 0.00 O ATOM 730 CB ASP A 50 -6.466 4.831 -6.386 1.00 0.00 C ATOM 731 CG ASP A 50 -7.323 6.020 -5.947 1.00 0.00 C ATOM 732 OD1 ASP A 50 -8.404 5.826 -5.406 1.00 0.00 O ATOM 733 OD2 ASP A 50 -6.917 7.160 -6.160 1.00 0.00 O ATOM 0 H ASP A 50 -8.498 3.427 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.327 4.925 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.372 4.115 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.459 5.166 -6.634 1.00 0.00 H new ATOM 738 N LYS A 51 -5.716 2.134 -7.617 1.00 0.00 N ATOM 739 CA LYS A 51 -4.780 1.122 -8.132 1.00 0.00 C ATOM 740 C LYS A 51 -3.346 1.645 -8.241 1.00 0.00 C ATOM 741 O LYS A 51 -2.599 1.288 -9.146 1.00 0.00 O ATOM 742 CB LYS A 51 -5.207 0.453 -9.436 1.00 0.00 C ATOM 743 CG LYS A 51 -6.606 -0.173 -9.162 1.00 0.00 C ATOM 744 CD LYS A 51 -7.384 -0.361 -10.443 1.00 0.00 C ATOM 745 CE LYS A 51 -8.261 0.833 -10.837 1.00 0.00 C ATOM 746 NZ LYS A 51 -7.568 2.114 -10.974 1.00 0.00 N ATOM 0 H LYS A 51 -5.993 1.972 -6.649 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.808 0.341 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.257 1.178 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.490 -0.311 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.485 -1.135 -8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.168 0.469 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.683 -0.563 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.017 -1.243 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.751 0.603 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.047 0.945 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.199 2.884 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.714 2.112 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.298 2.258 -11.968 1.00 0.00 H new ATOM 760 N LYS A 52 -3.006 2.504 -7.268 1.00 0.00 N ATOM 761 CA LYS A 52 -1.660 3.035 -7.184 1.00 0.00 C ATOM 762 C LYS A 52 -1.181 2.663 -5.779 1.00 0.00 C ATOM 763 O LYS A 52 -1.954 2.731 -4.830 1.00 0.00 O ATOM 764 CB LYS A 52 -1.636 4.554 -7.435 1.00 0.00 C ATOM 765 CG LYS A 52 -2.211 5.031 -8.796 1.00 0.00 C ATOM 766 CD LYS A 52 -1.559 4.463 -10.074 1.00 0.00 C ATOM 767 CE LYS A 52 -0.032 4.538 -10.047 1.00 0.00 C ATOM 768 NZ LYS A 52 0.508 5.890 -9.973 1.00 0.00 N ATOM 0 H LYS A 52 -3.643 2.835 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.002 2.622 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.195 5.042 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.604 4.898 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.272 4.784 -8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.136 6.118 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.864 3.424 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.929 5.012 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.332 3.968 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.358 4.053 -10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.536 5.845 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.309 6.392 -10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.064 6.398 -9.182 1.00 0.00 H new ATOM 782 N TYR A 53 0.080 2.200 -5.710 1.00 0.00 N ATOM 783 CA TYR A 53 0.605 1.664 -4.462 1.00 0.00 C ATOM 784 C TYR A 53 2.079 2.050 -4.252 1.00 0.00 C ATOM 785 O TYR A 53 2.762 2.626 -5.096 1.00 0.00 O ATOM 786 CB TYR A 53 0.482 0.119 -4.505 1.00 0.00 C ATOM 787 CG TYR A 53 1.292 -0.510 -5.611 1.00 0.00 C ATOM 788 CD1 TYR A 53 2.622 -0.866 -5.413 1.00 0.00 C ATOM 789 CD2 TYR A 53 0.716 -0.750 -6.851 1.00 0.00 C ATOM 790 CE1 TYR A 53 3.350 -1.452 -6.437 1.00 0.00 C ATOM 791 CE2 TYR A 53 1.437 -1.349 -7.874 1.00 0.00 C ATOM 792 CZ TYR A 53 2.760 -1.708 -7.665 1.00 0.00 C ATOM 793 OH TYR A 53 3.493 -2.341 -8.654 1.00 0.00 O ATOM 0 H TYR A 53 0.735 2.190 -6.492 1.00 0.00 H new ATOM 0 HA TYR A 53 0.032 2.081 -3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.805 -0.292 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.566 -0.152 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.090 -0.685 -4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.312 -0.465 -7.023 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.386 -1.711 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.969 -1.535 -8.830 1.00 0.00 H new ATOM 0 HH TYR A 53 2.938 -2.449 -9.454 1.00 0.00 H new ATOM 803 N GLY A 54 2.502 1.595 -3.061 1.00 0.00 N ATOM 804 CA GLY A 54 3.879 1.670 -2.591 1.00 0.00 C ATOM 805 C GLY A 54 4.282 0.314 -1.982 1.00 0.00 C ATOM 806 O GLY A 54 3.430 -0.554 -1.844 1.00 0.00 O ATOM 0 H GLY A 54 1.874 1.156 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.544 1.923 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.979 2.460 -1.847 1.00 0.00 H new ATOM 810 N PHE A 55 5.586 0.146 -1.625 1.00 0.00 N ATOM 811 CA PHE A 55 6.052 -1.153 -1.100 1.00 0.00 C ATOM 812 C PHE A 55 6.225 -1.170 0.432 1.00 0.00 C ATOM 813 O PHE A 55 6.933 -2.013 0.973 1.00 0.00 O ATOM 814 CB PHE A 55 7.381 -1.584 -1.746 1.00 0.00 C ATOM 815 CG PHE A 55 7.232 -1.840 -3.219 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.460 -2.901 -3.677 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.874 -1.031 -4.143 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.344 -3.149 -5.036 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.755 -1.272 -5.503 1.00 0.00 C ATOM 820 CZ PHE A 55 6.994 -2.338 -5.954 1.00 0.00 C ATOM 0 H PHE A 55 6.303 0.868 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 55 5.262 -1.857 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.130 -0.809 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.747 -2.486 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.947 -3.536 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.475 -0.202 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.744 -3.978 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.256 -0.628 -6.211 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.908 -2.536 -7.012 1.00 0.00 H new ATOM 830 N CYS A 56 5.520 -0.225 1.100 1.00 0.00 N ATOM 831 CA CYS A 56 5.583 -0.238 2.616 1.00 0.00 C ATOM 832 C CYS A 56 7.057 -0.110 3.117 1.00 0.00 C ATOM 833 O CYS A 56 7.969 0.105 2.327 1.00 0.00 O ATOM 834 CB CYS A 56 4.949 -1.585 3.058 1.00 0.00 C ATOM 835 SG CYS A 56 3.483 -1.348 4.089 1.00 0.00 S ATOM 0 H CYS A 56 4.944 0.503 0.678 1.00 0.00 H new ATOM 0 HA CYS A 56 5.045 0.608 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.680 -2.164 2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.687 -2.168 3.609 1.00 0.00 H new ATOM 840 N PRO A 57 7.296 -0.263 4.460 1.00 0.00 N ATOM 841 CA PRO A 57 8.641 -0.607 4.932 1.00 0.00 C ATOM 842 C PRO A 57 9.134 -1.944 4.345 1.00 0.00 C ATOM 843 O PRO A 57 8.342 -2.816 3.985 1.00 0.00 O ATOM 844 CB PRO A 57 8.527 -0.679 6.462 1.00 0.00 C ATOM 845 CG PRO A 57 7.028 -0.814 6.737 1.00 0.00 C ATOM 846 CD PRO A 57 6.349 -0.087 5.575 1.00 0.00 C ATOM 0 HA PRO A 57 9.373 0.134 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.080 -1.530 6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.936 0.215 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.726 -1.861 6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.760 -0.367 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.375 -0.518 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.186 0.967 5.801 1.00 0.00 H new ATOM 854 N GLU A 58 10.482 -1.995 4.270 1.00 0.00 N ATOM 855 CA GLU A 58 11.335 -3.085 3.769 1.00 0.00 C ATOM 856 C GLU A 58 10.614 -4.448 3.749 1.00 0.00 C ATOM 857 O GLU A 58 9.962 -4.861 4.700 1.00 0.00 O ATOM 858 CB GLU A 58 12.606 -3.183 4.637 1.00 0.00 C ATOM 859 CG GLU A 58 13.598 -2.015 4.456 1.00 0.00 C ATOM 860 CD GLU A 58 13.066 -0.649 4.927 1.00 0.00 C ATOM 861 OE1 GLU A 58 12.366 -0.598 5.938 1.00 0.00 O ATOM 862 OE2 GLU A 58 13.332 0.346 4.260 1.00 0.00 O ATOM 0 H GLU A 58 11.045 -1.205 4.586 1.00 0.00 H new ATOM 0 HA GLU A 58 11.593 -2.845 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.311 -3.233 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.118 -4.117 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.513 -2.243 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.867 -1.943 3.402 1.00 0.00 H new ATOM 869 N THR A 59 10.758 -5.095 2.577 1.00 0.00 N ATOM 870 CA THR A 59 10.071 -6.354 2.307 1.00 0.00 C ATOM 871 C THR A 59 11.049 -7.519 2.093 1.00 0.00 C ATOM 872 O THR A 59 10.674 -8.547 1.543 1.00 0.00 O ATOM 873 CB THR A 59 9.174 -6.098 1.075 1.00 0.00 C ATOM 874 OG1 THR A 59 8.027 -6.925 1.115 1.00 0.00 O ATOM 875 CG2 THR A 59 9.921 -6.111 -0.269 1.00 0.00 C ATOM 0 H THR A 59 11.343 -4.762 1.811 1.00 0.00 H new ATOM 0 HA THR A 59 9.471 -6.661 3.163 1.00 0.00 H new ATOM 0 HB THR A 59 8.827 -5.067 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.177 -7.719 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.216 -5.923 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.687 -5.335 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.390 -7.084 -0.415 1.00 0.00 H new ATOM 883 N ALA A 60 12.292 -7.266 2.552 1.00 0.00 N ATOM 884 CA ALA A 60 13.429 -8.168 2.395 1.00 0.00 C ATOM 885 C ALA A 60 14.029 -7.982 0.984 1.00 0.00 C ATOM 886 O ALA A 60 14.827 -8.818 0.563 1.00 0.00 O ATOM 887 CB ALA A 60 13.099 -9.635 2.724 1.00 0.00 C ATOM 888 OXT ALA A 60 13.694 -6.993 0.326 1.00 0.00 O ATOM 0 H ALA A 60 12.528 -6.408 3.051 1.00 0.00 H new ATOM 0 HA ALA A 60 14.184 -7.900 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.990 -10.248 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.764 -9.709 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.309 -9.988 2.061 1.00 0.00 H new TER 894 ALA A 60