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= -0.241 X(o=-0.0094,f=0.16) USER MOD Set 1.2: A 26 TYR OH : rot -178:sc= 0.232 USER MOD Single : A 1 THR N :NH3+ 174:sc= -0.026 (180deg=-0.0752) USER MOD Single : A 1 THR OG1 : rot -90:sc= 1.28 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 164:sc= -0.12 (180deg=-0.351) USER MOD Single : A 9 ASN : amide:sc= 0.0977 K(o=0.098,f=-10!) USER MOD Single : A 13 GLN : amide:sc= 0.343 X(o=0.34,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 2.1 (180deg=1.41) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.459 USER MOD Single : A 25 SER OG : rot 47:sc= 0.676 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -173:sc= 0.933 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00605 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 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -52:sc= 0.535 USER MOD Single : A 47 TYR OH : rot -54:sc= 1.04 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 2.17 (180deg=1.92) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 0.227! (180deg=-2.63!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0.928 USER MOD Single : A 59 THR OG1 : rot 81:sc= 0.613 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.037 8.087 10.585 1.00 0.00 N ATOM 2 CA THR A 1 1.418 6.794 10.293 1.00 0.00 C ATOM 3 C THR A 1 1.612 6.436 8.806 1.00 0.00 C ATOM 4 O THR A 1 0.662 6.206 8.067 1.00 0.00 O ATOM 5 CB THR A 1 -0.072 6.798 10.713 1.00 0.00 C ATOM 6 OG1 THR A 1 -0.714 5.589 10.380 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.868 8.011 10.193 1.00 0.00 C ATOM 0 H1 THR A 1 1.814 8.366 11.562 1.00 0.00 H new ATOM 0 H2 THR A 1 3.068 8.011 10.474 1.00 0.00 H new ATOM 0 H3 THR A 1 1.670 8.804 9.928 1.00 0.00 H new ATOM 0 HA THR A 1 1.909 6.017 10.879 1.00 0.00 H new ATOM 0 HB THR A 1 -0.060 6.893 11.799 1.00 0.00 H new ATOM 0 HG1 THR A 1 -1.092 5.657 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.902 7.939 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.424 8.929 10.577 1.00 0.00 H new ATOM 0 HG23 THR A 1 -0.842 8.023 9.103 1.00 0.00 H new ATOM 17 N ALA A 2 2.905 6.439 8.413 1.00 0.00 N ATOM 18 CA ALA A 2 3.242 6.168 7.025 1.00 0.00 C ATOM 19 C ALA A 2 4.738 5.823 6.984 1.00 0.00 C ATOM 20 O ALA A 2 5.484 6.349 7.800 1.00 0.00 O ATOM 21 CB ALA A 2 2.927 7.419 6.186 1.00 0.00 C ATOM 0 H ALA A 2 3.700 6.621 9.026 1.00 0.00 H new ATOM 0 HA ALA A 2 2.666 5.338 6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.175 7.229 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.866 7.655 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.516 8.260 6.552 1.00 0.00 H new ATOM 27 N LEU A 3 5.127 4.921 6.051 1.00 0.00 N ATOM 28 CA LEU A 3 6.510 4.430 5.995 1.00 0.00 C ATOM 29 C LEU A 3 7.339 4.788 4.722 1.00 0.00 C ATOM 30 O LEU A 3 8.148 3.964 4.323 1.00 0.00 O ATOM 31 CB LEU A 3 6.489 2.884 6.067 1.00 0.00 C ATOM 32 CG LEU A 3 5.786 2.217 7.253 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.178 0.734 7.306 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.152 2.844 8.585 1.00 0.00 C ATOM 0 H LEU A 3 4.508 4.529 5.341 1.00 0.00 H new ATOM 0 HA LEU A 3 6.996 4.929 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.020 2.516 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.522 2.538 6.057 1.00 0.00 H new ATOM 0 HG LEU A 3 4.715 2.349 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.679 0.256 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.876 0.244 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.258 0.647 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.623 2.329 9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.227 2.757 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.870 3.897 8.581 1.00 0.00 H new ATOM 46 N PHE A 4 7.176 5.984 4.093 1.00 0.00 N ATOM 47 CA PHE A 4 8.026 6.275 2.877 1.00 0.00 C ATOM 48 C PHE A 4 7.595 5.300 1.715 1.00 0.00 C ATOM 49 O PHE A 4 6.687 4.503 1.918 1.00 0.00 O ATOM 50 CB PHE A 4 9.542 6.230 3.307 1.00 0.00 C ATOM 51 CG PHE A 4 9.784 6.907 4.635 1.00 0.00 C ATOM 52 CD1 PHE A 4 9.428 8.238 4.835 1.00 0.00 C ATOM 53 CD2 PHE A 4 10.370 6.204 5.685 1.00 0.00 C ATOM 54 CE1 PHE A 4 9.640 8.850 6.065 1.00 0.00 C ATOM 55 CE2 PHE A 4 10.587 6.813 6.913 1.00 0.00 C ATOM 56 CZ PHE A 4 10.218 8.137 7.106 1.00 0.00 C ATOM 0 H PHE A 4 6.523 6.717 4.368 1.00 0.00 H new ATOM 0 HA PHE A 4 7.876 7.276 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.869 5.192 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.149 6.712 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.983 8.800 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.659 5.173 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.355 9.881 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.043 6.257 7.719 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.380 8.611 8.063 1.00 0.00 H new ATOM 66 N THR A 5 8.222 5.378 0.507 1.00 0.00 N ATOM 67 CA THR A 5 7.952 4.429 -0.580 1.00 0.00 C ATOM 68 C THR A 5 9.327 3.920 -1.056 1.00 0.00 C ATOM 69 O THR A 5 10.348 4.252 -0.468 1.00 0.00 O ATOM 70 CB THR A 5 7.190 5.098 -1.753 1.00 0.00 C ATOM 71 OG1 THR A 5 7.971 6.053 -2.452 1.00 0.00 O ATOM 72 CG2 THR A 5 5.960 5.869 -1.307 1.00 0.00 C ATOM 0 H THR A 5 8.914 6.091 0.275 1.00 0.00 H new ATOM 0 HA THR A 5 7.317 3.616 -0.227 1.00 0.00 H new ATOM 0 HB THR A 5 6.927 4.249 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.441 6.440 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.473 6.312 -2.176 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.267 5.191 -0.809 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.256 6.658 -0.615 1.00 0.00 H new ATOM 80 N MET A 6 9.303 3.164 -2.177 1.00 0.00 N ATOM 81 CA MET A 6 10.526 2.710 -2.833 1.00 0.00 C ATOM 82 C MET A 6 10.170 2.242 -4.262 1.00 0.00 C ATOM 83 O MET A 6 9.742 3.051 -5.069 1.00 0.00 O ATOM 84 CB MET A 6 11.388 1.764 -1.958 1.00 0.00 C ATOM 85 CG MET A 6 10.653 0.648 -1.199 1.00 0.00 C ATOM 86 SD MET A 6 10.821 -0.952 -2.010 1.00 0.00 S ATOM 87 CE MET A 6 10.376 -1.994 -0.612 1.00 0.00 C ATOM 0 H MET A 6 8.445 2.861 -2.637 1.00 0.00 H new ATOM 0 HA MET A 6 11.228 3.535 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.138 1.300 -2.599 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.924 2.372 -1.229 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.045 0.582 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.596 0.902 -1.116 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.142 -2.998 -0.966 1.00 0.00 H new ATOM 0 HE2 MET A 6 11.211 -2.041 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 6 9.505 -1.575 -0.108 1.00 0.00 H new ATOM 97 N GLY A 7 10.352 0.937 -4.548 1.00 0.00 N ATOM 98 CA GLY A 7 10.125 0.416 -5.906 1.00 0.00 C ATOM 99 C GLY A 7 8.678 0.506 -6.448 1.00 0.00 C ATOM 100 O GLY A 7 8.454 0.412 -7.647 1.00 0.00 O ATOM 0 H GLY A 7 10.650 0.237 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.780 0.954 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.432 -0.630 -5.926 1.00 0.00 H new ATOM 104 N GLY A 8 7.730 0.669 -5.505 1.00 0.00 N ATOM 105 CA GLY A 8 6.302 0.775 -5.816 1.00 0.00 C ATOM 106 C GLY A 8 5.959 1.956 -6.766 1.00 0.00 C ATOM 107 O GLY A 8 6.840 2.635 -7.274 1.00 0.00 O ATOM 0 H GLY A 8 7.938 0.730 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.968 -0.157 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.744 0.893 -4.887 1.00 0.00 H new ATOM 111 N ASN A 9 4.637 2.151 -7.015 1.00 0.00 N ATOM 112 CA ASN A 9 4.199 3.151 -8.006 1.00 0.00 C ATOM 113 C ASN A 9 3.399 4.316 -7.396 1.00 0.00 C ATOM 114 O ASN A 9 2.814 5.119 -8.113 1.00 0.00 O ATOM 115 CB ASN A 9 3.405 2.463 -9.145 1.00 0.00 C ATOM 116 CG ASN A 9 1.978 2.003 -8.763 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.411 2.420 -7.767 1.00 0.00 O ATOM 118 ND2 ASN A 9 1.391 1.155 -9.619 1.00 0.00 N ATOM 0 H ASN A 9 3.882 1.643 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 9 5.103 3.601 -8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 9 3.335 3.152 -9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.970 1.597 -9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.437 0.836 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.898 0.828 -10.442 1.00 0.00 H new ATOM 125 N ALA A 10 3.425 4.396 -6.055 1.00 0.00 N ATOM 126 CA ALA A 10 2.681 5.412 -5.312 1.00 0.00 C ATOM 127 C ALA A 10 3.141 6.878 -5.511 1.00 0.00 C ATOM 128 O ALA A 10 2.818 7.709 -4.681 1.00 0.00 O ATOM 129 CB ALA A 10 2.750 5.077 -3.815 1.00 0.00 C ATOM 0 H ALA A 10 3.960 3.760 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 10 1.669 5.373 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.199 5.827 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.310 4.095 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.791 5.070 -3.491 1.00 0.00 H new ATOM 135 N GLU A 11 3.889 7.177 -6.592 1.00 0.00 N ATOM 136 CA GLU A 11 4.355 8.526 -6.945 1.00 0.00 C ATOM 137 C GLU A 11 4.901 9.376 -5.765 1.00 0.00 C ATOM 138 O GLU A 11 4.699 10.581 -5.687 1.00 0.00 O ATOM 139 CB GLU A 11 3.287 9.239 -7.801 1.00 0.00 C ATOM 140 CG GLU A 11 2.038 9.742 -7.040 1.00 0.00 C ATOM 141 CD GLU A 11 0.749 9.542 -7.838 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.720 9.844 -9.030 1.00 0.00 O ATOM 143 OE2 GLU A 11 -0.225 9.017 -7.293 1.00 0.00 O ATOM 0 H GLU A 11 4.191 6.466 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 11 5.252 8.401 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.755 10.090 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.961 8.555 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.959 9.215 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.159 10.800 -6.809 1.00 0.00 H new ATOM 150 N GLY A 12 5.633 8.679 -4.869 1.00 0.00 N ATOM 151 CA GLY A 12 6.267 9.354 -3.722 1.00 0.00 C ATOM 152 C GLY A 12 5.299 9.516 -2.529 1.00 0.00 C ATOM 153 O GLY A 12 5.715 9.872 -1.434 1.00 0.00 O ATOM 0 H GLY A 12 5.796 7.673 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.139 8.783 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.624 10.336 -4.033 1.00 0.00 H new ATOM 157 N GLN A 13 4.000 9.227 -2.770 1.00 0.00 N ATOM 158 CA GLN A 13 3.014 9.256 -1.693 1.00 0.00 C ATOM 159 C GLN A 13 3.393 8.103 -0.741 1.00 0.00 C ATOM 160 O GLN A 13 3.412 6.950 -1.150 1.00 0.00 O ATOM 161 CB GLN A 13 1.563 8.997 -2.187 1.00 0.00 C ATOM 162 CG GLN A 13 0.920 10.028 -3.150 1.00 0.00 C ATOM 163 CD GLN A 13 -0.591 9.753 -3.251 1.00 0.00 C ATOM 164 OE1 GLN A 13 -1.304 9.746 -2.261 1.00 0.00 O ATOM 165 NE2 GLN A 13 -1.029 9.495 -4.492 1.00 0.00 N ATOM 0 H GLN A 13 3.626 8.977 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 13 3.027 10.243 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.548 8.026 -2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.922 8.917 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.094 11.041 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.381 9.960 -4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.379 9.518 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.013 9.276 -4.650 1.00 0.00 H new ATOM 174 N PRO A 14 3.716 8.441 0.530 1.00 0.00 N ATOM 175 CA PRO A 14 4.316 7.482 1.453 1.00 0.00 C ATOM 176 C PRO A 14 3.323 6.353 1.752 1.00 0.00 C ATOM 177 O PRO A 14 2.130 6.621 1.834 1.00 0.00 O ATOM 178 CB PRO A 14 4.596 8.341 2.696 1.00 0.00 C ATOM 179 CG PRO A 14 3.557 9.463 2.650 1.00 0.00 C ATOM 180 CD PRO A 14 3.423 9.733 1.152 1.00 0.00 C ATOM 0 HA PRO A 14 5.212 6.992 1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.502 7.754 3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.610 8.742 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.609 9.156 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.891 10.347 3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.422 10.080 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.121 10.502 0.821 1.00 0.00 H new ATOM 188 N CYS A 15 3.835 5.101 1.936 1.00 0.00 N ATOM 189 CA CYS A 15 2.918 4.024 2.353 1.00 0.00 C ATOM 190 C CYS A 15 2.196 4.552 3.590 1.00 0.00 C ATOM 191 O CYS A 15 2.844 5.022 4.511 1.00 0.00 O ATOM 192 CB CYS A 15 3.638 2.770 2.842 1.00 0.00 C ATOM 193 SG CYS A 15 4.256 1.700 1.530 1.00 0.00 S ATOM 0 H CYS A 15 4.811 4.833 1.810 1.00 0.00 H new ATOM 0 HA CYS A 15 2.292 3.767 1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.475 3.070 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.956 2.197 3.469 1.00 0.00 H new ATOM 198 N LYS A 16 0.869 4.559 3.489 1.00 0.00 N ATOM 199 CA LYS A 16 0.029 5.273 4.428 1.00 0.00 C ATOM 200 C LYS A 16 -0.880 4.240 5.080 1.00 0.00 C ATOM 201 O LYS A 16 -1.621 3.530 4.414 1.00 0.00 O ATOM 202 CB LYS A 16 -0.726 6.311 3.535 1.00 0.00 C ATOM 203 CG LYS A 16 -1.810 7.259 4.110 1.00 0.00 C ATOM 204 CD LYS A 16 -2.827 6.481 4.945 1.00 0.00 C ATOM 205 CE LYS A 16 -4.055 7.246 5.439 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.690 6.573 6.570 1.00 0.00 N ATOM 0 H LYS A 16 0.355 4.071 2.756 1.00 0.00 H new ATOM 0 HA LYS A 16 0.541 5.793 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.035 6.944 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.197 5.748 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.339 8.026 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.319 7.773 3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.172 5.633 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.310 6.074 5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.762 8.254 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.773 7.347 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.399 7.204 6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.155 5.703 6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.969 6.333 7.280 1.00 0.00 H new ATOM 220 N PHE A 17 -0.798 4.225 6.421 1.00 0.00 N ATOM 221 CA PHE A 17 -1.654 3.344 7.206 1.00 0.00 C ATOM 222 C PHE A 17 -2.617 4.269 7.982 1.00 0.00 C ATOM 223 O PHE A 17 -2.299 5.428 8.235 1.00 0.00 O ATOM 224 CB PHE A 17 -0.764 2.499 8.153 1.00 0.00 C ATOM 225 CG PHE A 17 0.310 1.702 7.445 1.00 0.00 C ATOM 226 CD1 PHE A 17 0.172 1.260 6.131 1.00 0.00 C ATOM 227 CD2 PHE A 17 1.488 1.394 8.115 1.00 0.00 C ATOM 228 CE1 PHE A 17 1.186 0.562 5.498 1.00 0.00 C ATOM 229 CE2 PHE A 17 2.502 0.690 7.487 1.00 0.00 C ATOM 230 CZ PHE A 17 2.359 0.278 6.172 1.00 0.00 C ATOM 0 H PHE A 17 -0.159 4.803 6.967 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.225 2.645 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.291 3.162 8.877 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.399 1.814 8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.743 1.466 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.615 1.708 9.140 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.060 0.239 4.475 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.410 0.461 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.155 -0.259 5.679 1.00 0.00 H new ATOM 240 N PRO A 18 -3.833 3.774 8.323 1.00 0.00 N ATOM 241 CA PRO A 18 -4.490 2.617 7.720 1.00 0.00 C ATOM 242 C PRO A 18 -5.021 2.974 6.317 1.00 0.00 C ATOM 243 O PRO A 18 -5.449 4.104 6.088 1.00 0.00 O ATOM 244 CB PRO A 18 -5.664 2.330 8.664 1.00 0.00 C ATOM 245 CG PRO A 18 -5.994 3.687 9.293 1.00 0.00 C ATOM 246 CD PRO A 18 -4.650 4.420 9.350 1.00 0.00 C ATOM 0 HA PRO A 18 -3.819 1.767 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.519 1.926 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.392 1.597 9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.721 4.236 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.425 3.569 10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.770 5.485 9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.192 4.331 10.335 1.00 0.00 H new ATOM 254 N PHE A 19 -4.964 1.972 5.417 1.00 0.00 N ATOM 255 CA PHE A 19 -5.525 2.099 4.072 1.00 0.00 C ATOM 256 C PHE A 19 -6.635 1.040 3.951 1.00 0.00 C ATOM 257 O PHE A 19 -6.517 -0.063 4.473 1.00 0.00 O ATOM 258 CB PHE A 19 -4.493 1.946 2.935 1.00 0.00 C ATOM 259 CG PHE A 19 -3.816 0.570 2.860 1.00 0.00 C ATOM 260 CD1 PHE A 19 -2.823 0.124 3.753 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.200 -0.294 1.826 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.189 -1.097 3.560 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.569 -1.546 1.646 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.552 -1.925 2.509 1.00 0.00 C ATOM 0 H PHE A 19 -4.533 1.067 5.605 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.909 3.112 3.951 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.989 2.144 1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.723 2.708 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.551 0.739 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.992 0.002 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.405 -1.404 4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.876 -2.201 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.042 -2.866 2.362 1.00 0.00 H new ATOM 274 N ARG A 20 -7.719 1.442 3.255 1.00 0.00 N ATOM 275 CA ARG A 20 -8.873 0.569 3.051 1.00 0.00 C ATOM 276 C ARG A 20 -8.786 -0.002 1.620 1.00 0.00 C ATOM 277 O ARG A 20 -8.776 0.741 0.643 1.00 0.00 O ATOM 278 CB ARG A 20 -10.162 1.421 3.224 1.00 0.00 C ATOM 279 CG ARG A 20 -11.528 0.688 3.239 1.00 0.00 C ATOM 280 CD ARG A 20 -12.701 1.623 2.764 1.00 0.00 C ATOM 281 NE ARG A 20 -12.481 2.139 1.386 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.536 1.313 0.319 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.882 0.045 0.448 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.240 1.740 -0.891 1.00 0.00 N ATOM 0 H ARG A 20 -7.810 2.365 2.830 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.891 -0.252 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.072 1.976 4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.187 2.155 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.477 -0.188 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.736 0.328 4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.641 1.072 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.798 2.461 3.454 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.286 3.130 1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.115 -0.329 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.917 -0.560 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.963 2.711 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.288 1.100 -1.684 1.00 0.00 H new ATOM 298 N PHE A 21 -8.725 -1.345 1.560 1.00 0.00 N ATOM 299 CA PHE A 21 -8.664 -2.077 0.296 1.00 0.00 C ATOM 300 C PHE A 21 -9.655 -3.235 0.455 1.00 0.00 C ATOM 301 O PHE A 21 -9.767 -3.813 1.522 1.00 0.00 O ATOM 302 CB PHE A 21 -7.223 -2.572 0.079 1.00 0.00 C ATOM 303 CG PHE A 21 -7.094 -3.693 -0.921 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.506 -3.530 -2.233 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.534 -4.907 -0.548 1.00 0.00 C ATOM 306 CE1 PHE A 21 -7.284 -4.517 -3.185 1.00 0.00 C ATOM 307 CE2 PHE A 21 -6.320 -5.909 -1.484 1.00 0.00 C ATOM 308 CZ PHE A 21 -6.678 -5.710 -2.811 1.00 0.00 C ATOM 0 H PHE A 21 -8.717 -1.944 2.385 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.924 -1.472 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.610 -1.734 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.818 -2.905 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.009 -2.619 -2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.261 -5.074 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.581 -4.358 -4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.874 -6.845 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.487 -6.477 -3.547 1.00 0.00 H new ATOM 318 N GLN A 22 -10.407 -3.530 -0.614 1.00 0.00 N ATOM 319 CA GLN A 22 -11.416 -4.589 -0.542 1.00 0.00 C ATOM 320 C GLN A 22 -12.399 -4.373 0.650 1.00 0.00 C ATOM 321 O GLN A 22 -12.870 -5.328 1.257 1.00 0.00 O ATOM 322 CB GLN A 22 -10.820 -6.023 -0.395 1.00 0.00 C ATOM 323 CG GLN A 22 -9.826 -6.487 -1.483 1.00 0.00 C ATOM 324 CD GLN A 22 -9.040 -7.754 -1.083 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.898 -8.667 -1.885 1.00 0.00 O ATOM 326 NE2 GLN A 22 -8.535 -7.793 0.156 1.00 0.00 N ATOM 0 H GLN A 22 -10.338 -3.062 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.937 -4.521 -1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.317 -6.083 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.647 -6.732 -0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.372 -6.681 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.123 -5.681 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.679 -7.007 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.006 -8.608 0.466 1.00 0.00 H new ATOM 335 N GLY A 23 -12.663 -3.089 0.998 1.00 0.00 N ATOM 336 CA GLY A 23 -13.582 -2.839 2.119 1.00 0.00 C ATOM 337 C GLY A 23 -13.025 -3.292 3.487 1.00 0.00 C ATOM 338 O GLY A 23 -13.746 -3.362 4.471 1.00 0.00 O ATOM 0 H GLY A 23 -12.276 -2.261 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.808 -1.773 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.522 -3.356 1.929 1.00 0.00 H new ATOM 342 N THR A 24 -11.718 -3.603 3.480 1.00 0.00 N ATOM 343 CA THR A 24 -10.998 -4.114 4.628 1.00 0.00 C ATOM 344 C THR A 24 -9.901 -3.096 4.983 1.00 0.00 C ATOM 345 O THR A 24 -9.273 -2.512 4.110 1.00 0.00 O ATOM 346 CB THR A 24 -10.434 -5.479 4.192 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.482 -6.280 3.663 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.790 -6.249 5.350 1.00 0.00 C ATOM 0 H THR A 24 -11.132 -3.499 2.652 1.00 0.00 H new ATOM 0 HA THR A 24 -11.612 -4.249 5.519 1.00 0.00 H new ATOM 0 HB THR A 24 -9.667 -5.277 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.748 -5.933 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.410 -7.203 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.968 -5.665 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.534 -6.428 6.126 1.00 0.00 H new ATOM 356 N SER A 25 -9.737 -2.895 6.302 1.00 0.00 N ATOM 357 CA SER A 25 -8.776 -1.941 6.836 1.00 0.00 C ATOM 358 C SER A 25 -7.435 -2.640 7.096 1.00 0.00 C ATOM 359 O SER A 25 -7.388 -3.621 7.830 1.00 0.00 O ATOM 360 CB SER A 25 -9.350 -1.510 8.190 1.00 0.00 C ATOM 361 OG SER A 25 -9.735 -2.663 8.923 1.00 0.00 O ATOM 0 H SER A 25 -10.269 -3.391 7.017 1.00 0.00 H new ATOM 0 HA SER A 25 -8.615 -1.110 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.607 -0.941 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.209 -0.855 8.042 1.00 0.00 H new ATOM 0 HG SER A 25 -9.017 -3.329 8.886 1.00 0.00 H new ATOM 367 N TYR A 26 -6.376 -2.075 6.491 1.00 0.00 N ATOM 368 CA TYR A 26 -5.022 -2.597 6.632 1.00 0.00 C ATOM 369 C TYR A 26 -4.139 -1.517 7.253 1.00 0.00 C ATOM 370 O TYR A 26 -4.232 -0.352 6.887 1.00 0.00 O ATOM 371 CB TYR A 26 -4.456 -2.881 5.244 1.00 0.00 C ATOM 372 CG TYR A 26 -5.246 -3.920 4.514 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.313 -3.551 3.710 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.914 -5.264 4.621 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.023 -4.517 3.027 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.637 -6.225 3.933 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.704 -5.852 3.135 1.00 0.00 C ATOM 378 OH TYR A 26 -7.456 -6.769 2.431 1.00 0.00 O ATOM 0 H TYR A 26 -6.442 -1.249 5.896 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.043 -3.497 7.246 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.446 -1.959 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.421 -3.212 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.588 -2.511 3.618 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.085 -5.563 5.246 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.846 -4.220 2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.367 -7.267 4.020 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.136 -7.674 2.627 1.00 0.00 H new ATOM 388 N ASP A 27 -3.281 -1.978 8.184 1.00 0.00 N ATOM 389 CA ASP A 27 -2.352 -1.088 8.880 1.00 0.00 C ATOM 390 C ASP A 27 -0.903 -1.603 8.727 1.00 0.00 C ATOM 391 O ASP A 27 -0.038 -1.381 9.564 1.00 0.00 O ATOM 392 CB ASP A 27 -2.807 -0.984 10.350 1.00 0.00 C ATOM 393 CG ASP A 27 -2.444 0.372 10.976 1.00 0.00 C ATOM 394 OD1 ASP A 27 -2.983 1.383 10.527 1.00 0.00 O ATOM 395 OD2 ASP A 27 -1.647 0.405 11.911 1.00 0.00 O ATOM 0 H ASP A 27 -3.218 -2.956 8.465 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.361 -0.088 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.886 -1.131 10.406 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.346 -1.784 10.929 1.00 0.00 H new ATOM 400 N SER A 28 -0.687 -2.331 7.613 1.00 0.00 N ATOM 401 CA SER A 28 0.623 -2.915 7.368 1.00 0.00 C ATOM 402 C SER A 28 0.666 -3.371 5.900 1.00 0.00 C ATOM 403 O SER A 28 -0.359 -3.422 5.226 1.00 0.00 O ATOM 404 CB SER A 28 0.826 -4.100 8.345 1.00 0.00 C ATOM 405 OG SER A 28 -0.262 -5.005 8.190 1.00 0.00 O ATOM 0 H SER A 28 -1.387 -2.518 6.895 1.00 0.00 H new ATOM 0 HA SER A 28 1.427 -2.199 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.770 -4.604 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.875 -3.740 9.372 1.00 0.00 H new ATOM 0 HG SER A 28 -0.147 -5.762 8.801 1.00 0.00 H new ATOM 411 N CYS A 29 1.897 -3.691 5.444 1.00 0.00 N ATOM 412 CA CYS A 29 2.078 -4.164 4.073 1.00 0.00 C ATOM 413 C CYS A 29 1.307 -5.508 3.861 1.00 0.00 C ATOM 414 O CYS A 29 1.461 -6.412 4.680 1.00 0.00 O ATOM 415 CB CYS A 29 3.557 -4.465 3.852 1.00 0.00 C ATOM 416 SG CYS A 29 4.671 -3.166 4.420 1.00 0.00 S ATOM 0 H CYS A 29 2.753 -3.630 5.996 1.00 0.00 H new ATOM 0 HA CYS A 29 1.710 -3.400 3.388 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.808 -5.393 4.366 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.727 -4.634 2.789 1.00 0.00 H new ATOM 421 N THR A 30 0.522 -5.646 2.769 1.00 0.00 N ATOM 422 CA THR A 30 -0.196 -6.899 2.485 1.00 0.00 C ATOM 423 C THR A 30 0.416 -7.533 1.227 1.00 0.00 C ATOM 424 O THR A 30 1.238 -6.923 0.565 1.00 0.00 O ATOM 425 CB THR A 30 -1.709 -6.649 2.300 1.00 0.00 C ATOM 426 OG1 THR A 30 -2.328 -7.918 2.134 1.00 0.00 O ATOM 427 CG2 THR A 30 -2.030 -5.738 1.092 1.00 0.00 C ATOM 0 H THR A 30 0.373 -4.910 2.079 1.00 0.00 H new ATOM 0 HA THR A 30 -0.090 -7.579 3.330 1.00 0.00 H new ATOM 0 HB THR A 30 -2.088 -6.124 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.274 -7.794 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.109 -5.601 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.550 -4.769 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.658 -6.201 0.178 1.00 0.00 H new ATOM 435 N THR A 31 -0.028 -8.768 0.929 1.00 0.00 N ATOM 436 CA THR A 31 0.451 -9.484 -0.257 1.00 0.00 C ATOM 437 C THR A 31 -0.703 -9.854 -1.206 1.00 0.00 C ATOM 438 O THR A 31 -0.497 -10.480 -2.237 1.00 0.00 O ATOM 439 CB THR A 31 1.243 -10.744 0.152 1.00 0.00 C ATOM 440 OG1 THR A 31 1.613 -10.654 1.523 1.00 0.00 O ATOM 441 CG2 THR A 31 2.488 -10.906 -0.735 1.00 0.00 C ATOM 0 H THR A 31 -0.709 -9.282 1.488 1.00 0.00 H new ATOM 0 HA THR A 31 1.117 -8.812 -0.798 1.00 0.00 H new ATOM 0 HB THR A 31 0.612 -11.622 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.114 -11.456 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.036 -11.799 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.182 -11.002 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.130 -10.032 -0.624 1.00 0.00 H new ATOM 449 N GLU A 32 -1.927 -9.457 -0.818 1.00 0.00 N ATOM 450 CA GLU A 32 -3.085 -9.801 -1.638 1.00 0.00 C ATOM 451 C GLU A 32 -2.947 -9.223 -3.060 1.00 0.00 C ATOM 452 O GLU A 32 -2.947 -8.015 -3.253 1.00 0.00 O ATOM 453 CB GLU A 32 -4.323 -9.214 -0.960 1.00 0.00 C ATOM 454 CG GLU A 32 -4.658 -9.913 0.369 1.00 0.00 C ATOM 455 CD GLU A 32 -5.502 -8.984 1.240 1.00 0.00 C ATOM 456 OE1 GLU A 32 -5.046 -7.883 1.529 1.00 0.00 O ATOM 457 OE2 GLU A 32 -6.611 -9.342 1.621 1.00 0.00 O ATOM 0 H GLU A 32 -2.130 -8.919 0.025 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.164 -10.884 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.163 -8.151 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.175 -9.296 -1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.199 -10.839 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.740 -10.182 0.891 1.00 0.00 H new ATOM 464 N GLY A 33 -2.835 -10.151 -4.029 1.00 0.00 N ATOM 465 CA GLY A 33 -2.737 -9.757 -5.431 1.00 0.00 C ATOM 466 C GLY A 33 -1.324 -9.905 -6.012 1.00 0.00 C ATOM 467 O GLY A 33 -1.156 -9.828 -7.222 1.00 0.00 O ATOM 0 H GLY A 33 -2.811 -11.157 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.428 -10.361 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.056 -8.719 -5.532 1.00 0.00 H new ATOM 471 N ARG A 34 -0.326 -10.124 -5.130 1.00 0.00 N ATOM 472 CA ARG A 34 1.042 -10.286 -5.667 1.00 0.00 C ATOM 473 C ARG A 34 1.573 -11.684 -5.330 1.00 0.00 C ATOM 474 O ARG A 34 1.613 -12.104 -4.181 1.00 0.00 O ATOM 475 CB ARG A 34 1.986 -9.250 -5.051 1.00 0.00 C ATOM 476 CG ARG A 34 1.599 -7.818 -5.446 1.00 0.00 C ATOM 477 CD ARG A 34 2.784 -6.837 -5.319 1.00 0.00 C ATOM 478 NE ARG A 34 3.645 -6.977 -6.506 1.00 0.00 N ATOM 479 CZ ARG A 34 3.636 -6.099 -7.537 1.00 0.00 C ATOM 480 NH1 ARG A 34 2.820 -5.051 -7.522 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.452 -6.293 -8.563 1.00 0.00 N ATOM 0 H ARG A 34 -0.425 -10.189 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 34 1.001 -10.148 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.970 -9.344 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.007 -9.452 -5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.234 -7.812 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.779 -7.478 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.419 -5.813 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.353 -7.047 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 34 4.279 -7.774 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.194 -4.903 -6.730 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.819 -4.394 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.079 -7.098 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.453 -5.638 -9.345 1.00 0.00 H new ATOM 495 N THR A 35 2.017 -12.345 -6.413 1.00 0.00 N ATOM 496 CA THR A 35 2.584 -13.686 -6.324 1.00 0.00 C ATOM 497 C THR A 35 4.075 -13.643 -6.715 1.00 0.00 C ATOM 498 O THR A 35 4.652 -14.639 -7.127 1.00 0.00 O ATOM 499 CB THR A 35 1.781 -14.613 -7.259 1.00 0.00 C ATOM 500 OG1 THR A 35 0.431 -14.172 -7.234 1.00 0.00 O ATOM 501 CG2 THR A 35 1.875 -16.087 -6.830 1.00 0.00 C ATOM 0 H THR A 35 1.990 -11.964 -7.359 1.00 0.00 H new ATOM 0 HA THR A 35 2.520 -14.069 -5.305 1.00 0.00 H new ATOM 0 HB THR A 35 2.193 -14.561 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.110 -14.740 -7.821 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.295 -16.703 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.917 -16.406 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.480 -16.198 -5.820 1.00 0.00 H new ATOM 509 N ASP A 36 4.656 -12.433 -6.563 1.00 0.00 N ATOM 510 CA ASP A 36 6.054 -12.197 -6.926 1.00 0.00 C ATOM 511 C ASP A 36 6.960 -12.026 -5.687 1.00 0.00 C ATOM 512 O ASP A 36 8.160 -11.812 -5.811 1.00 0.00 O ATOM 513 CB ASP A 36 6.136 -10.972 -7.857 1.00 0.00 C ATOM 514 CG ASP A 36 5.594 -9.665 -7.255 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.285 -9.610 -6.066 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.478 -8.689 -7.990 1.00 0.00 O ATOM 0 H ASP A 36 4.174 -11.614 -6.193 1.00 0.00 H new ATOM 0 HA ASP A 36 6.426 -13.076 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.177 -10.820 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.584 -11.191 -8.771 1.00 0.00 H new ATOM 521 N GLY A 37 6.339 -12.172 -4.495 1.00 0.00 N ATOM 522 CA GLY A 37 7.100 -12.121 -3.250 1.00 0.00 C ATOM 523 C GLY A 37 7.043 -10.769 -2.533 1.00 0.00 C ATOM 524 O GLY A 37 7.442 -10.668 -1.380 1.00 0.00 O ATOM 0 H GLY A 37 5.337 -12.322 -4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.726 -12.892 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.141 -12.362 -3.464 1.00 0.00 H new ATOM 528 N TYR A 38 6.573 -9.732 -3.250 1.00 0.00 N ATOM 529 CA TYR A 38 6.615 -8.394 -2.658 1.00 0.00 C ATOM 530 C TYR A 38 5.286 -8.047 -1.976 1.00 0.00 C ATOM 531 O TYR A 38 4.209 -8.187 -2.540 1.00 0.00 O ATOM 532 CB TYR A 38 7.028 -7.381 -3.744 1.00 0.00 C ATOM 533 CG TYR A 38 8.193 -7.930 -4.529 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.338 -8.398 -3.899 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.127 -8.055 -5.904 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.340 -9.021 -4.609 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.125 -8.679 -6.617 1.00 0.00 C ATOM 538 CZ TYR A 38 10.238 -9.183 -5.975 1.00 0.00 C ATOM 539 OH TYR A 38 11.219 -9.850 -6.675 1.00 0.00 O ATOM 0 H TYR A 38 6.181 -9.791 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 38 7.363 -8.357 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.188 -7.184 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.301 -6.431 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.445 -8.271 -2.832 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.273 -7.654 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.214 -9.386 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.036 -8.775 -7.689 1.00 0.00 H new ATOM 0 HH TYR A 38 10.985 -9.872 -7.626 1.00 0.00 H new ATOM 549 N ARG A 39 5.441 -7.574 -0.723 1.00 0.00 N ATOM 550 CA ARG A 39 4.236 -7.115 0.004 1.00 0.00 C ATOM 551 C ARG A 39 4.091 -5.628 -0.369 1.00 0.00 C ATOM 552 O ARG A 39 5.083 -4.905 -0.390 1.00 0.00 O ATOM 553 CB ARG A 39 4.443 -7.285 1.524 1.00 0.00 C ATOM 554 CG ARG A 39 4.627 -8.738 1.980 1.00 0.00 C ATOM 555 CD ARG A 39 4.712 -8.823 3.521 1.00 0.00 C ATOM 556 NE ARG A 39 3.423 -8.497 4.148 1.00 0.00 N ATOM 557 CZ ARG A 39 2.512 -9.417 4.535 1.00 0.00 C ATOM 558 NH1 ARG A 39 2.746 -10.716 4.379 1.00 0.00 N ATOM 559 NH2 ARG A 39 1.377 -8.999 5.083 1.00 0.00 N ATOM 0 H ARG A 39 6.324 -7.501 -0.218 1.00 0.00 H new ATOM 0 HA ARG A 39 3.344 -7.684 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.318 -6.709 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.585 -6.859 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.794 -9.344 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.534 -9.151 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.018 -9.827 3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.478 -8.137 3.883 1.00 0.00 H new ATOM 0 HE ARG A 39 3.202 -7.513 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.623 -11.030 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.049 -11.399 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.207 -8.001 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.675 -9.676 5.382 1.00 0.00 H new ATOM 573 N TRP A 40 2.847 -5.219 -0.692 1.00 0.00 N ATOM 574 CA TRP A 40 2.556 -3.857 -1.107 1.00 0.00 C ATOM 575 C TRP A 40 1.658 -3.159 -0.060 1.00 0.00 C ATOM 576 O TRP A 40 1.007 -3.799 0.755 1.00 0.00 O ATOM 577 CB TRP A 40 1.894 -3.873 -2.499 1.00 0.00 C ATOM 578 CG TRP A 40 0.532 -4.549 -2.472 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.291 -5.921 -2.627 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.765 -3.931 -2.320 1.00 0.00 C ATOM 581 NE1 TRP A 40 -1.041 -6.149 -2.589 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.723 -4.964 -2.396 1.00 0.00 C ATOM 583 CE3 TRP A 40 -1.179 -2.641 -2.119 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -3.055 -4.681 -2.290 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.542 -2.340 -2.002 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.480 -3.371 -2.088 1.00 0.00 C ATOM 0 H TRP A 40 2.030 -5.829 -0.669 1.00 0.00 H new ATOM 0 HA TRP A 40 3.484 -3.289 -1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.785 -2.851 -2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.543 -4.393 -3.204 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.051 -6.678 -2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.479 -7.065 -2.689 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.448 -1.849 -2.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.781 -5.477 -2.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.864 -1.321 -1.847 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.534 -3.152 -1.998 1.00 0.00 H new ATOM 597 N CYS A 41 1.652 -1.817 -0.137 1.00 0.00 N ATOM 598 CA CYS A 41 0.830 -0.968 0.717 1.00 0.00 C ATOM 599 C CYS A 41 -0.020 -0.059 -0.182 1.00 0.00 C ATOM 600 O CYS A 41 0.425 0.343 -1.250 1.00 0.00 O ATOM 601 CB CYS A 41 1.736 -0.066 1.559 1.00 0.00 C ATOM 602 SG CYS A 41 2.580 1.170 0.523 1.00 0.00 S ATOM 0 H CYS A 41 2.224 -1.295 -0.801 1.00 0.00 H new ATOM 0 HA CYS A 41 0.206 -1.589 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.143 0.439 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.476 -0.674 2.080 1.00 0.00 H new ATOM 607 N GLY A 42 -1.234 0.267 0.289 1.00 0.00 N ATOM 608 CA GLY A 42 -2.048 1.221 -0.451 1.00 0.00 C ATOM 609 C GLY A 42 -1.753 2.611 0.116 1.00 0.00 C ATOM 610 O GLY A 42 -1.191 2.733 1.200 1.00 0.00 O ATOM 0 H GLY A 42 -1.653 -0.102 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.813 1.183 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.107 0.982 -0.350 1.00 0.00 H new ATOM 614 N THR A 43 -2.162 3.640 -0.648 1.00 0.00 N ATOM 615 CA THR A 43 -1.971 5.010 -0.197 1.00 0.00 C ATOM 616 C THR A 43 -3.337 5.670 0.005 1.00 0.00 C ATOM 617 O THR A 43 -4.324 5.391 -0.666 1.00 0.00 O ATOM 618 CB THR A 43 -1.062 5.760 -1.177 1.00 0.00 C ATOM 619 OG1 THR A 43 -1.382 5.324 -2.487 1.00 0.00 O ATOM 620 CG2 THR A 43 0.402 5.456 -0.829 1.00 0.00 C ATOM 0 H THR A 43 -2.615 3.543 -1.557 1.00 0.00 H new ATOM 0 HA THR A 43 -1.463 5.035 0.767 1.00 0.00 H new ATOM 0 HB THR A 43 -1.208 6.838 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.814 5.791 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.058 5.985 -1.521 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.609 5.783 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.580 4.384 -0.909 1.00 0.00 H new ATOM 628 N THR A 44 -3.301 6.542 1.029 1.00 0.00 N ATOM 629 CA THR A 44 -4.481 7.234 1.511 1.00 0.00 C ATOM 630 C THR A 44 -5.399 6.204 2.192 1.00 0.00 C ATOM 631 O THR A 44 -5.258 4.995 2.054 1.00 0.00 O ATOM 632 CB THR A 44 -5.218 8.061 0.427 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.230 7.311 -0.213 1.00 0.00 O ATOM 634 CG2 THR A 44 -4.293 8.748 -0.601 1.00 0.00 C ATOM 0 H THR A 44 -2.448 6.777 1.536 1.00 0.00 H new ATOM 0 HA THR A 44 -4.164 7.986 2.234 1.00 0.00 H new ATOM 0 HB THR A 44 -5.689 8.875 0.978 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.855 6.465 -0.536 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.896 9.303 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.621 9.434 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.708 7.993 -1.125 1.00 0.00 H new ATOM 642 N GLU A 45 -6.389 6.771 2.888 1.00 0.00 N ATOM 643 CA GLU A 45 -7.409 5.942 3.513 1.00 0.00 C ATOM 644 C GLU A 45 -8.145 5.026 2.494 1.00 0.00 C ATOM 645 O GLU A 45 -8.741 4.043 2.914 1.00 0.00 O ATOM 646 CB GLU A 45 -8.470 6.798 4.254 1.00 0.00 C ATOM 647 CG GLU A 45 -8.022 7.357 5.619 1.00 0.00 C ATOM 648 CD GLU A 45 -6.940 8.442 5.581 1.00 0.00 C ATOM 649 OE1 GLU A 45 -6.695 9.033 4.532 1.00 0.00 O ATOM 650 OE2 GLU A 45 -6.309 8.647 6.618 1.00 0.00 O ATOM 0 H GLU A 45 -6.501 7.775 3.028 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.873 5.316 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.754 7.632 3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.364 6.192 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.897 7.762 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.656 6.529 6.226 1.00 0.00 H new ATOM 657 N ASP A 46 -8.127 5.383 1.182 1.00 0.00 N ATOM 658 CA ASP A 46 -8.897 4.603 0.195 1.00 0.00 C ATOM 659 C ASP A 46 -8.026 4.124 -0.986 1.00 0.00 C ATOM 660 O ASP A 46 -7.755 4.865 -1.921 1.00 0.00 O ATOM 661 CB ASP A 46 -10.087 5.447 -0.309 1.00 0.00 C ATOM 662 CG ASP A 46 -11.145 4.539 -0.927 1.00 0.00 C ATOM 663 OD1 ASP A 46 -10.872 3.875 -1.922 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.237 4.434 -0.380 1.00 0.00 O ATOM 0 H ASP A 46 -7.608 6.174 0.801 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.267 3.705 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.518 6.012 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.743 6.172 -1.046 1.00 0.00 H new ATOM 669 N TYR A 47 -7.623 2.835 -0.900 1.00 0.00 N ATOM 670 CA TYR A 47 -6.800 2.296 -1.993 1.00 0.00 C ATOM 671 C TYR A 47 -7.642 1.990 -3.238 1.00 0.00 C ATOM 672 O TYR A 47 -7.186 2.194 -4.356 1.00 0.00 O ATOM 673 CB TYR A 47 -6.077 0.999 -1.577 1.00 0.00 C ATOM 674 CG TYR A 47 -5.329 0.400 -2.745 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.115 0.921 -3.164 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.858 -0.674 -3.451 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.443 0.362 -4.236 1.00 0.00 C ATOM 678 CE2 TYR A 47 -5.185 -1.230 -4.527 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.979 -0.698 -4.940 1.00 0.00 C ATOM 680 OH TYR A 47 -3.332 -1.196 -6.052 1.00 0.00 O ATOM 0 H TYR A 47 -7.838 2.191 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.067 3.069 -2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.382 1.210 -0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.802 0.280 -1.197 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.690 1.770 -2.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.813 -1.083 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.483 0.761 -4.527 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.604 -2.081 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.169 -0.469 -6.688 1.00 0.00 H new ATOM 690 N ASP A 48 -8.862 1.459 -3.015 1.00 0.00 N ATOM 691 CA ASP A 48 -9.663 1.034 -4.168 1.00 0.00 C ATOM 692 C ASP A 48 -9.830 2.178 -5.196 1.00 0.00 C ATOM 693 O ASP A 48 -9.837 1.984 -6.409 1.00 0.00 O ATOM 694 CB ASP A 48 -11.062 0.530 -3.741 1.00 0.00 C ATOM 695 CG ASP A 48 -11.046 -0.646 -2.739 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.119 -1.448 -2.752 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.976 -0.747 -1.937 1.00 0.00 O ATOM 0 H ASP A 48 -9.291 1.322 -2.100 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.118 0.212 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.613 1.360 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.610 0.223 -4.632 1.00 0.00 H new ATOM 702 N ARG A 49 -9.974 3.385 -4.624 1.00 0.00 N ATOM 703 CA ARG A 49 -10.130 4.592 -5.419 1.00 0.00 C ATOM 704 C ARG A 49 -8.818 4.941 -6.172 1.00 0.00 C ATOM 705 O ARG A 49 -8.835 5.011 -7.398 1.00 0.00 O ATOM 706 CB ARG A 49 -10.676 5.711 -4.496 1.00 0.00 C ATOM 707 CG ARG A 49 -10.916 7.109 -5.100 1.00 0.00 C ATOM 708 CD ARG A 49 -10.828 8.219 -3.983 1.00 0.00 C ATOM 709 NE ARG A 49 -9.441 8.280 -3.518 1.00 0.00 N ATOM 710 CZ ARG A 49 -9.067 8.571 -2.253 1.00 0.00 C ATOM 711 NH1 ARG A 49 -9.945 9.032 -1.367 1.00 0.00 N ATOM 712 NH2 ARG A 49 -7.804 8.363 -1.924 1.00 0.00 N ATOM 0 H ARG A 49 -9.984 3.540 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.859 4.451 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.621 5.364 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.981 5.824 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.177 7.307 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.896 7.142 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.140 9.185 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.498 7.982 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.705 8.089 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.918 9.171 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.645 9.247 -0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.151 7.995 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.482 8.570 -0.978 1.00 0.00 H new ATOM 726 N ASP A 50 -7.714 5.160 -5.418 1.00 0.00 N ATOM 727 CA ASP A 50 -6.446 5.587 -6.045 1.00 0.00 C ATOM 728 C ASP A 50 -5.816 4.511 -6.969 1.00 0.00 C ATOM 729 O ASP A 50 -5.414 4.783 -8.093 1.00 0.00 O ATOM 730 CB ASP A 50 -5.419 6.049 -4.978 1.00 0.00 C ATOM 731 CG ASP A 50 -5.975 7.104 -4.024 1.00 0.00 C ATOM 732 OD1 ASP A 50 -6.778 7.934 -4.436 1.00 0.00 O ATOM 733 OD2 ASP A 50 -5.614 7.107 -2.854 1.00 0.00 O ATOM 0 H ASP A 50 -7.676 5.051 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.705 6.432 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.090 5.184 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.539 6.451 -5.480 1.00 0.00 H new ATOM 738 N LYS A 51 -5.725 3.292 -6.397 1.00 0.00 N ATOM 739 CA LYS A 51 -5.188 2.062 -7.006 1.00 0.00 C ATOM 740 C LYS A 51 -3.656 2.014 -7.068 1.00 0.00 C ATOM 741 O LYS A 51 -3.074 1.097 -7.640 1.00 0.00 O ATOM 742 CB LYS A 51 -5.728 1.782 -8.407 1.00 0.00 C ATOM 743 CG LYS A 51 -7.288 1.851 -8.392 1.00 0.00 C ATOM 744 CD LYS A 51 -7.738 2.699 -9.569 1.00 0.00 C ATOM 745 CE LYS A 51 -9.239 2.635 -9.852 1.00 0.00 C ATOM 746 NZ LYS A 51 -9.999 3.163 -8.727 1.00 0.00 N ATOM 0 H LYS A 51 -6.044 3.133 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.539 1.287 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.329 2.510 -9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.401 0.798 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.713 0.850 -8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.640 2.283 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.459 3.736 -9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.198 2.379 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.469 3.205 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.534 1.603 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.993 3.285 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.942 2.500 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.604 4.082 -8.442 1.00 0.00 H new ATOM 760 N LYS A 52 -3.047 3.053 -6.488 1.00 0.00 N ATOM 761 CA LYS A 52 -1.609 3.243 -6.572 1.00 0.00 C ATOM 762 C LYS A 52 -1.048 2.770 -5.239 1.00 0.00 C ATOM 763 O LYS A 52 -1.676 2.952 -4.204 1.00 0.00 O ATOM 764 CB LYS A 52 -1.301 4.732 -6.821 1.00 0.00 C ATOM 765 CG LYS A 52 -1.895 5.257 -8.143 1.00 0.00 C ATOM 766 CD LYS A 52 -0.925 5.153 -9.337 1.00 0.00 C ATOM 767 CE LYS A 52 0.124 6.277 -9.358 1.00 0.00 C ATOM 768 NZ LYS A 52 -0.472 7.606 -9.455 1.00 0.00 N ATOM 0 H LYS A 52 -3.535 3.773 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.161 2.685 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.694 5.322 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.221 4.877 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.802 4.698 -8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.188 6.299 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.417 4.190 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.496 5.179 -10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.729 6.220 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.797 6.123 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.240 8.281 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.274 7.579 -10.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.807 7.906 -8.517 1.00 0.00 H new ATOM 782 N TYR A 53 0.100 2.075 -5.330 1.00 0.00 N ATOM 783 CA TYR A 53 0.644 1.416 -4.157 1.00 0.00 C ATOM 784 C TYR A 53 2.163 1.588 -4.072 1.00 0.00 C ATOM 785 O TYR A 53 2.845 1.952 -5.020 1.00 0.00 O ATOM 786 CB TYR A 53 0.342 -0.098 -4.250 1.00 0.00 C ATOM 787 CG TYR A 53 0.984 -0.758 -5.445 1.00 0.00 C ATOM 788 CD1 TYR A 53 2.288 -1.238 -5.383 1.00 0.00 C ATOM 789 CD2 TYR A 53 0.278 -0.904 -6.629 1.00 0.00 C ATOM 790 CE1 TYR A 53 2.860 -1.867 -6.477 1.00 0.00 C ATOM 791 CE2 TYR A 53 0.839 -1.548 -7.722 1.00 0.00 C ATOM 792 CZ TYR A 53 2.134 -2.040 -7.644 1.00 0.00 C ATOM 793 OH TYR A 53 2.704 -2.722 -8.705 1.00 0.00 O ATOM 0 H TYR A 53 0.647 1.964 -6.184 1.00 0.00 H new ATOM 0 HA TYR A 53 0.186 1.864 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.691 -0.588 -3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.737 -0.245 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.860 -1.119 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.725 -0.510 -6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.878 -2.224 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.269 -1.666 -8.632 1.00 0.00 H new ATOM 0 HH TYR A 53 2.068 -2.760 -9.449 1.00 0.00 H new ATOM 803 N GLY A 54 2.639 1.240 -2.875 1.00 0.00 N ATOM 804 CA GLY A 54 4.071 1.213 -2.568 1.00 0.00 C ATOM 805 C GLY A 54 4.477 -0.250 -2.255 1.00 0.00 C ATOM 806 O GLY A 54 3.608 -1.112 -2.172 1.00 0.00 O ATOM 0 H GLY A 54 2.044 0.969 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.647 1.594 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.288 1.857 -1.716 1.00 0.00 H new ATOM 810 N PHE A 55 5.799 -0.499 -2.056 1.00 0.00 N ATOM 811 CA PHE A 55 6.262 -1.833 -1.634 1.00 0.00 C ATOM 812 C PHE A 55 6.656 -1.660 -0.173 1.00 0.00 C ATOM 813 O PHE A 55 6.961 -0.543 0.216 1.00 0.00 O ATOM 814 CB PHE A 55 7.493 -2.358 -2.392 1.00 0.00 C ATOM 815 CG PHE A 55 7.243 -2.720 -3.826 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.110 -3.426 -4.215 1.00 0.00 C ATOM 817 CD2 PHE A 55 8.173 -2.360 -4.791 1.00 0.00 C ATOM 818 CE1 PHE A 55 5.910 -3.747 -5.548 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.966 -2.666 -6.127 1.00 0.00 C ATOM 820 CZ PHE A 55 6.832 -3.364 -6.510 1.00 0.00 C ATOM 0 H PHE A 55 6.540 0.191 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 55 5.468 -2.555 -1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.275 -1.600 -2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.875 -3.236 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.383 -3.725 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.070 -1.835 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.029 -4.300 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.689 -2.360 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.668 -3.608 -7.549 1.00 0.00 H new ATOM 830 N CYS A 56 6.594 -2.779 0.593 1.00 0.00 N ATOM 831 CA CYS A 56 6.843 -2.704 2.081 1.00 0.00 C ATOM 832 C CYS A 56 8.106 -1.863 2.416 1.00 0.00 C ATOM 833 O CYS A 56 9.221 -2.353 2.273 1.00 0.00 O ATOM 834 CB CYS A 56 7.048 -4.118 2.718 1.00 0.00 C ATOM 835 SG CYS A 56 6.459 -4.158 4.437 1.00 0.00 S ATOM 0 H CYS A 56 6.384 -3.712 0.238 1.00 0.00 H new ATOM 0 HA CYS A 56 5.952 -2.232 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.514 -4.865 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 56 8.105 -4.384 2.687 1.00 0.00 H new ATOM 840 N PRO A 57 7.932 -0.579 2.850 1.00 0.00 N ATOM 841 CA PRO A 57 9.094 0.277 3.065 1.00 0.00 C ATOM 842 C PRO A 57 9.367 0.431 4.569 1.00 0.00 C ATOM 843 O PRO A 57 8.450 0.418 5.376 1.00 0.00 O ATOM 844 CB PRO A 57 8.651 1.595 2.448 1.00 0.00 C ATOM 845 CG PRO A 57 7.126 1.616 2.610 1.00 0.00 C ATOM 846 CD PRO A 57 6.668 0.185 2.955 1.00 0.00 C ATOM 0 HA PRO A 57 10.017 -0.109 2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.113 2.443 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.937 1.655 1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.835 2.310 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.649 1.959 1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.237 0.125 3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.912 -0.180 2.260 1.00 0.00 H new ATOM 854 N GLU A 58 10.672 0.542 4.902 1.00 0.00 N ATOM 855 CA GLU A 58 11.048 0.725 6.329 1.00 0.00 C ATOM 856 C GLU A 58 10.568 -0.474 7.179 1.00 0.00 C ATOM 857 O GLU A 58 9.955 -0.347 8.231 1.00 0.00 O ATOM 858 CB GLU A 58 10.478 2.069 6.838 1.00 0.00 C ATOM 859 CG GLU A 58 11.240 2.649 8.038 1.00 0.00 C ATOM 860 CD GLU A 58 12.645 3.118 7.635 1.00 0.00 C ATOM 861 OE1 GLU A 58 12.771 4.240 7.148 1.00 0.00 O ATOM 862 OE2 GLU A 58 13.594 2.355 7.807 1.00 0.00 O ATOM 0 H GLU A 58 11.450 0.511 4.243 1.00 0.00 H new ATOM 0 HA GLU A 58 12.133 0.759 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.496 2.793 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.433 1.928 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.681 3.486 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.317 1.895 8.821 1.00 0.00 H new ATOM 869 N THR A 59 10.897 -1.653 6.626 1.00 0.00 N ATOM 870 CA THR A 59 10.537 -2.919 7.243 1.00 0.00 C ATOM 871 C THR A 59 11.312 -3.149 8.548 1.00 0.00 C ATOM 872 O THR A 59 10.789 -3.585 9.566 1.00 0.00 O ATOM 873 CB THR A 59 10.924 -3.999 6.214 1.00 0.00 C ATOM 874 OG1 THR A 59 12.184 -3.679 5.630 1.00 0.00 O ATOM 875 CG2 THR A 59 9.919 -4.034 5.061 1.00 0.00 C ATOM 0 H THR A 59 11.413 -1.745 5.751 1.00 0.00 H new ATOM 0 HA THR A 59 9.478 -2.940 7.499 1.00 0.00 H new ATOM 0 HB THR A 59 10.949 -4.954 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.904 -3.950 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.212 -4.803 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.926 -4.259 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.902 -3.064 4.563 1.00 0.00 H new ATOM 883 N ALA A 60 12.607 -2.867 8.356 1.00 0.00 N ATOM 884 CA ALA A 60 13.746 -3.051 9.235 1.00 0.00 C ATOM 885 C ALA A 60 14.884 -3.527 8.309 1.00 0.00 C ATOM 886 O ALA A 60 16.034 -3.543 8.742 1.00 0.00 O ATOM 887 CB ALA A 60 13.506 -4.080 10.353 1.00 0.00 C ATOM 888 OXT ALA A 60 14.598 -3.873 7.155 1.00 0.00 O ATOM 0 H ALA A 60 12.905 -2.456 7.472 1.00 0.00 H new ATOM 0 HA ALA A 60 13.968 -2.121 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.401 -4.163 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.669 -3.757 10.971 1.00 0.00 H new ATOM 0 HB3 ALA A 60 13.278 -5.050 9.912 1.00 0.00 H new TER 894 ALA A 60