USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 609 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 23 LYS NZ :NH3+ -168:sc= 0.137 (180deg=0.0884) USER MOD Set 1.2: A 39 TYR OH : rot -142:sc= 0.00184 USER MOD Set 2.1: A 16 SER OG : rot 66:sc= -0.717 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -127:sc= 0.861 (180deg=-0.0054) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0213 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0.0633 K(o=0.063,f=-2.5!) USER MOD Single : A 4 MET CE :methyl -171:sc= 0 (180deg=-0.0948) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.0439 K(o=0.044,f=-1.7) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.209 USER MOD Single : A 21 MET CE :methyl -153:sc= -0.457 (180deg=-1.42) USER MOD Single : A 26 SER OG : rot -17:sc= 1.15 USER MOD Single : A 27 CYS SG : rot -88:sc= -3.88! USER MOD Single : A 28 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 29 THR OG1 : rot -44:sc= 0.228 USER MOD Single : A 40 TYR OH : rot 135:sc= 1.02 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -98:sc= 0.0253 (180deg=-0.471) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0825 USER MOD Single : A 52 THR OG1 : rot 155:sc= 0.656 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= 0.783 (180deg=0.721) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 85:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.660 -10.548 -11.567 1.00 0.00 N ATOM 2 CA GLY A 1 22.699 -9.821 -10.702 1.00 0.00 C ATOM 3 C GLY A 1 23.126 -8.381 -10.444 1.00 0.00 C ATOM 4 O GLY A 1 24.318 -8.068 -10.440 1.00 0.00 O ATOM 0 H1 GLY A 1 23.234 -10.706 -12.503 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.528 -9.984 -11.672 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.893 -11.464 -11.133 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.715 -9.827 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.602 -10.345 -9.751 1.00 0.00 H new ATOM 10 N SER A 2 22.146 -7.503 -10.215 1.00 0.00 N ATOM 11 CA SER A 2 22.326 -6.053 -9.967 1.00 0.00 C ATOM 12 C SER A 2 21.398 -5.517 -8.848 1.00 0.00 C ATOM 13 O SER A 2 21.055 -4.330 -8.808 1.00 0.00 O ATOM 14 CB SER A 2 22.087 -5.262 -11.271 1.00 0.00 C ATOM 15 OG SER A 2 22.961 -5.655 -12.317 1.00 0.00 O ATOM 0 H SER A 2 21.166 -7.784 -10.195 1.00 0.00 H new ATOM 0 HA SER A 2 23.352 -5.912 -9.627 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.055 -5.403 -11.593 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.217 -4.198 -11.075 1.00 0.00 H new ATOM 0 HG SER A 2 22.769 -5.127 -13.120 1.00 0.00 H new ATOM 21 N HIS A 3 20.935 -6.411 -7.963 1.00 0.00 N ATOM 22 CA HIS A 3 19.750 -6.218 -7.101 1.00 0.00 C ATOM 23 C HIS A 3 19.901 -6.757 -5.657 1.00 0.00 C ATOM 24 O HIS A 3 18.911 -6.881 -4.929 1.00 0.00 O ATOM 25 CB HIS A 3 18.550 -6.860 -7.823 1.00 0.00 C ATOM 26 CG HIS A 3 18.673 -8.356 -8.004 1.00 0.00 C ATOM 27 ND1 HIS A 3 19.487 -8.997 -8.946 1.00 0.00 N ATOM 28 CD2 HIS A 3 18.016 -9.304 -7.275 1.00 0.00 C ATOM 29 CE1 HIS A 3 19.295 -10.314 -8.758 1.00 0.00 C ATOM 30 NE2 HIS A 3 18.419 -10.526 -7.763 1.00 0.00 N ATOM 0 H HIS A 3 21.384 -7.316 -7.820 1.00 0.00 H new ATOM 0 HA HIS A 3 19.606 -5.147 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 3 17.642 -6.646 -7.259 1.00 0.00 H new ATOM 0 HB3 HIS A 3 18.435 -6.394 -8.802 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.316 -9.129 -6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.778 -11.093 -9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.106 -11.437 -7.426 1.00 0.00 H new ATOM 38 N MET A 4 21.123 -7.110 -5.237 1.00 0.00 N ATOM 39 CA MET A 4 21.412 -7.664 -3.900 1.00 0.00 C ATOM 40 C MET A 4 21.028 -6.719 -2.746 1.00 0.00 C ATOM 41 O MET A 4 21.184 -5.499 -2.820 1.00 0.00 O ATOM 42 CB MET A 4 22.904 -8.019 -3.787 1.00 0.00 C ATOM 43 CG MET A 4 23.310 -9.228 -4.642 1.00 0.00 C ATOM 44 SD MET A 4 22.526 -10.812 -4.205 1.00 0.00 S ATOM 45 CE MET A 4 23.249 -11.107 -2.566 1.00 0.00 C ATOM 0 H MET A 4 21.953 -7.019 -5.822 1.00 0.00 H new ATOM 0 HA MET A 4 20.794 -8.556 -3.802 1.00 0.00 H new ATOM 0 HB2 MET A 4 23.499 -7.156 -4.086 1.00 0.00 H new ATOM 0 HB3 MET A 4 23.143 -8.225 -2.744 1.00 0.00 H new ATOM 0 HG2 MET A 4 23.079 -9.006 -5.684 1.00 0.00 H new ATOM 0 HG3 MET A 4 24.391 -9.349 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 4 22.995 -12.113 -2.232 1.00 0.00 H new ATOM 0 HE2 MET A 4 24.333 -11.007 -2.623 1.00 0.00 H new ATOM 0 HE3 MET A 4 22.854 -10.379 -1.858 1.00 0.00 H new ATOM 55 N LEU A 5 20.540 -7.306 -1.655 1.00 0.00 N ATOM 56 CA LEU A 5 20.087 -6.589 -0.452 1.00 0.00 C ATOM 57 C LEU A 5 21.228 -6.122 0.491 1.00 0.00 C ATOM 58 O LEU A 5 20.992 -5.319 1.397 1.00 0.00 O ATOM 59 CB LEU A 5 19.079 -7.474 0.273 1.00 0.00 C ATOM 60 CG LEU A 5 17.901 -7.927 -0.617 1.00 0.00 C ATOM 61 CD1 LEU A 5 16.836 -8.464 0.310 1.00 0.00 C ATOM 62 CD2 LEU A 5 17.253 -6.824 -1.463 1.00 0.00 C ATOM 0 H LEU A 5 20.444 -8.318 -1.575 1.00 0.00 H new ATOM 0 HA LEU A 5 19.623 -5.657 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 5 19.592 -8.355 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 5 18.686 -6.933 1.134 1.00 0.00 H new ATOM 0 HG LEU A 5 18.304 -8.653 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.979 -8.798 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 5 17.237 -9.304 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.522 -7.678 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 5 16.438 -7.247 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.862 -6.045 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.998 -6.395 -2.133 1.00 0.00 H new ATOM 74 N LEU A 6 22.448 -6.637 0.295 1.00 0.00 N ATOM 75 CA LEU A 6 23.580 -6.534 1.227 1.00 0.00 C ATOM 76 C LEU A 6 24.023 -5.088 1.556 1.00 0.00 C ATOM 77 O LEU A 6 24.250 -4.759 2.723 1.00 0.00 O ATOM 78 CB LEU A 6 24.744 -7.349 0.628 1.00 0.00 C ATOM 79 CG LEU A 6 26.031 -7.388 1.481 1.00 0.00 C ATOM 80 CD1 LEU A 6 25.812 -8.059 2.835 1.00 0.00 C ATOM 81 CD2 LEU A 6 27.114 -8.159 0.732 1.00 0.00 C ATOM 0 H LEU A 6 22.684 -7.157 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 6 23.258 -6.933 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 6 24.404 -8.372 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 6 24.989 -6.936 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 6 26.331 -6.355 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 6 26.747 -8.061 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 6 25.054 -7.511 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 6 25.478 -9.085 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.023 -8.187 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 26.772 -9.177 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.322 -7.665 -0.217 1.00 0.00 H new ATOM 93 N GLU A 7 24.166 -4.241 0.527 1.00 0.00 N ATOM 94 CA GLU A 7 24.769 -2.884 0.626 1.00 0.00 C ATOM 95 C GLU A 7 24.286 -1.897 -0.451 1.00 0.00 C ATOM 96 O GLU A 7 24.961 -0.917 -0.769 1.00 0.00 O ATOM 97 CB GLU A 7 26.308 -2.980 0.653 1.00 0.00 C ATOM 98 CG GLU A 7 26.928 -3.585 -0.605 1.00 0.00 C ATOM 99 CD GLU A 7 28.440 -3.639 -0.446 1.00 0.00 C ATOM 100 OE1 GLU A 7 29.114 -2.646 -0.806 1.00 0.00 O ATOM 101 OE2 GLU A 7 28.957 -4.674 0.036 1.00 0.00 O ATOM 0 H GLU A 7 23.864 -4.474 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 7 24.418 -2.465 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.719 -1.981 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 7 26.607 -3.578 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.533 -4.587 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.664 -2.988 -1.478 1.00 0.00 H new ATOM 108 N PHE A 8 23.106 -2.156 -1.016 1.00 0.00 N ATOM 109 CA PHE A 8 22.496 -1.413 -2.131 1.00 0.00 C ATOM 110 C PHE A 8 21.019 -1.045 -1.861 1.00 0.00 C ATOM 111 O PHE A 8 20.399 -1.555 -0.929 1.00 0.00 O ATOM 112 CB PHE A 8 22.635 -2.229 -3.432 1.00 0.00 C ATOM 113 CG PHE A 8 24.038 -2.719 -3.746 1.00 0.00 C ATOM 114 CD1 PHE A 8 25.003 -1.836 -4.265 1.00 0.00 C ATOM 115 CD2 PHE A 8 24.387 -4.068 -3.520 1.00 0.00 C ATOM 116 CE1 PHE A 8 26.299 -2.296 -4.560 1.00 0.00 C ATOM 117 CE2 PHE A 8 25.685 -4.525 -3.812 1.00 0.00 C ATOM 118 CZ PHE A 8 26.641 -3.639 -4.337 1.00 0.00 C ATOM 0 H PHE A 8 22.518 -2.926 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 8 23.031 -0.469 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 8 21.972 -3.092 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.287 -1.617 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 8 24.747 -0.801 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.654 -4.753 -3.121 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.034 -1.613 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 8 25.947 -5.557 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.636 -3.990 -4.568 1.00 0.00 H new ATOM 128 N LYS A 9 20.441 -0.182 -2.701 1.00 0.00 N ATOM 129 CA LYS A 9 19.126 0.478 -2.545 1.00 0.00 C ATOM 130 C LYS A 9 17.925 -0.483 -2.388 1.00 0.00 C ATOM 131 O LYS A 9 16.917 -0.154 -1.768 1.00 0.00 O ATOM 132 CB LYS A 9 18.914 1.456 -3.713 1.00 0.00 C ATOM 133 CG LYS A 9 19.960 2.593 -3.727 1.00 0.00 C ATOM 134 CD LYS A 9 19.836 3.533 -4.941 1.00 0.00 C ATOM 135 CE LYS A 9 18.532 4.335 -4.927 1.00 0.00 C ATOM 136 NZ LYS A 9 18.453 5.274 -6.070 1.00 0.00 N ATOM 0 H LYS A 9 20.903 0.098 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 9 19.158 1.014 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.963 0.909 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.915 1.886 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.859 3.179 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.959 2.156 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.682 4.220 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.889 2.946 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.684 3.651 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.457 4.892 -3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.556 5.799 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.248 5.943 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.499 4.740 -6.961 1.00 0.00 H new ATOM 150 N GLN A 10 18.000 -1.664 -3.003 1.00 0.00 N ATOM 151 CA GLN A 10 16.928 -2.647 -3.205 1.00 0.00 C ATOM 152 C GLN A 10 16.208 -3.166 -1.975 1.00 0.00 C ATOM 153 O GLN A 10 15.038 -3.546 -2.042 1.00 0.00 O ATOM 154 CB GLN A 10 17.487 -3.869 -3.945 1.00 0.00 C ATOM 155 CG GLN A 10 17.361 -3.631 -5.437 1.00 0.00 C ATOM 156 CD GLN A 10 18.305 -2.580 -5.992 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.408 -2.369 -5.502 1.00 0.00 O ATOM 158 NE2 GLN A 10 17.890 -1.870 -7.019 1.00 0.00 N ATOM 0 H GLN A 10 18.880 -1.986 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 10 16.183 -2.083 -3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 10 18.531 -4.030 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.941 -4.768 -3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.539 -4.572 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.336 -3.333 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.971 -2.048 -7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.487 -1.141 -7.410 1.00 0.00 H new ATOM 167 N PHE A 11 16.875 -3.093 -0.840 1.00 0.00 N ATOM 168 CA PHE A 11 16.260 -3.402 0.447 1.00 0.00 C ATOM 169 C PHE A 11 15.042 -2.517 0.726 1.00 0.00 C ATOM 170 O PHE A 11 14.076 -2.973 1.338 1.00 0.00 O ATOM 171 CB PHE A 11 17.264 -3.339 1.610 1.00 0.00 C ATOM 172 CG PHE A 11 17.696 -1.966 2.099 1.00 0.00 C ATOM 173 CD1 PHE A 11 18.175 -1.009 1.192 1.00 0.00 C ATOM 174 CD2 PHE A 11 17.695 -1.660 3.472 1.00 0.00 C ATOM 175 CE1 PHE A 11 18.607 0.251 1.619 1.00 0.00 C ATOM 176 CE2 PHE A 11 18.144 -0.402 3.918 1.00 0.00 C ATOM 177 CZ PHE A 11 18.602 0.559 2.992 1.00 0.00 C ATOM 0 H PHE A 11 17.856 -2.819 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 11 15.914 -4.433 0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.832 -3.875 2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 11 18.159 -3.885 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.211 -1.251 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 11 17.349 -2.392 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 11 18.942 0.983 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 11 18.138 -0.172 4.973 1.00 0.00 H new ATOM 0 HZ PHE A 11 18.946 1.524 3.334 1.00 0.00 H new ATOM 187 N LEU A 12 15.068 -1.268 0.250 1.00 0.00 N ATOM 188 CA LEU A 12 13.955 -0.341 0.369 1.00 0.00 C ATOM 189 C LEU A 12 12.798 -0.579 -0.595 1.00 0.00 C ATOM 190 O LEU A 12 11.679 -0.114 -0.389 1.00 0.00 O ATOM 191 CB LEU A 12 14.465 1.087 0.205 1.00 0.00 C ATOM 192 CG LEU A 12 14.293 1.823 1.536 1.00 0.00 C ATOM 193 CD1 LEU A 12 15.552 1.625 2.371 1.00 0.00 C ATOM 194 CD2 LEU A 12 13.949 3.251 1.192 1.00 0.00 C ATOM 0 H LEU A 12 15.876 -0.875 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 12 13.542 -0.513 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.514 1.082 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.913 1.598 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 12 13.485 1.441 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.443 2.145 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.704 0.561 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.411 2.027 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.815 3.824 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.757 3.689 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.026 3.273 0.612 1.00 0.00 H new ATOM 206 N TYR A 13 13.108 -1.248 -1.688 1.00 0.00 N ATOM 207 CA TYR A 13 12.248 -1.416 -2.860 1.00 0.00 C ATOM 208 C TYR A 13 11.537 -2.787 -2.893 1.00 0.00 C ATOM 209 O TYR A 13 10.452 -2.909 -3.467 1.00 0.00 O ATOM 210 CB TYR A 13 13.131 -1.139 -4.089 1.00 0.00 C ATOM 211 CG TYR A 13 13.731 0.268 -4.159 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.192 1.326 -3.400 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.843 0.531 -4.978 1.00 0.00 C ATOM 214 CE1 TYR A 13 13.758 2.609 -3.408 1.00 0.00 C ATOM 215 CE2 TYR A 13 15.397 1.824 -5.025 1.00 0.00 C ATOM 216 CZ TYR A 13 14.860 2.862 -4.241 1.00 0.00 C ATOM 217 OH TYR A 13 15.400 4.108 -4.291 1.00 0.00 O ATOM 0 H TYR A 13 14.009 -1.715 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 13 11.416 -0.713 -2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 13 13.945 -1.864 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.538 -1.309 -4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.317 1.143 -2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.273 -0.261 -5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.353 3.391 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.242 2.021 -5.668 1.00 0.00 H new ATOM 0 HH TYR A 13 15.274 4.554 -3.428 1.00 0.00 H new ATOM 227 N GLU A 14 12.078 -3.794 -2.192 1.00 0.00 N ATOM 228 CA GLU A 14 11.364 -5.031 -1.785 1.00 0.00 C ATOM 229 C GLU A 14 10.424 -4.810 -0.593 1.00 0.00 C ATOM 230 O GLU A 14 9.347 -5.402 -0.518 1.00 0.00 O ATOM 231 CB GLU A 14 12.382 -6.131 -1.452 1.00 0.00 C ATOM 232 CG GLU A 14 11.735 -7.507 -1.329 1.00 0.00 C ATOM 233 CD GLU A 14 12.801 -8.571 -1.105 1.00 0.00 C ATOM 234 OE1 GLU A 14 13.371 -9.069 -2.104 1.00 0.00 O ATOM 235 OE2 GLU A 14 13.040 -8.931 0.069 1.00 0.00 O ATOM 0 H GLU A 14 13.049 -3.778 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 14 10.743 -5.336 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.147 -6.161 -2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.886 -5.885 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.027 -7.511 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.169 -7.733 -2.233 1.00 0.00 H new ATOM 242 N ALA A 15 10.793 -3.891 0.302 1.00 0.00 N ATOM 243 CA ALA A 15 10.035 -3.452 1.490 1.00 0.00 C ATOM 244 C ALA A 15 8.649 -2.879 1.180 1.00 0.00 C ATOM 245 O ALA A 15 7.693 -3.004 1.948 1.00 0.00 O ATOM 246 CB ALA A 15 10.810 -2.281 2.099 1.00 0.00 C ATOM 0 H ALA A 15 11.683 -3.399 0.217 1.00 0.00 H new ATOM 0 HA ALA A 15 9.915 -4.330 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.287 -1.920 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.810 -2.613 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.886 -1.476 1.368 1.00 0.00 H new ATOM 252 N SER A 16 8.593 -2.190 0.044 1.00 0.00 N ATOM 253 CA SER A 16 7.577 -1.227 -0.360 1.00 0.00 C ATOM 254 C SER A 16 6.152 -1.818 -0.412 1.00 0.00 C ATOM 255 O SER A 16 5.159 -1.133 -0.174 1.00 0.00 O ATOM 256 CB SER A 16 8.035 -0.784 -1.764 1.00 0.00 C ATOM 257 OG SER A 16 8.857 0.367 -1.701 1.00 0.00 O ATOM 0 H SER A 16 9.312 -2.300 -0.671 1.00 0.00 H new ATOM 0 HA SER A 16 7.500 -0.411 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.581 -1.597 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.163 -0.576 -2.384 1.00 0.00 H new ATOM 0 HG SER A 16 9.692 0.148 -1.238 1.00 0.00 H new ATOM 263 N ILE A 17 6.081 -3.111 -0.716 1.00 0.00 N ATOM 264 CA ILE A 17 4.950 -3.831 -1.329 1.00 0.00 C ATOM 265 C ILE A 17 4.735 -5.204 -0.626 1.00 0.00 C ATOM 266 O ILE A 17 3.914 -6.019 -1.038 1.00 0.00 O ATOM 267 CB ILE A 17 5.325 -3.882 -2.854 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.672 -2.806 -3.757 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.156 -5.240 -3.565 1.00 0.00 C ATOM 270 CD1 ILE A 17 4.244 -1.469 -3.144 1.00 0.00 C ATOM 0 H ILE A 17 6.866 -3.736 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 17 3.977 -3.354 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 17 6.389 -3.670 -2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.372 -2.587 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.789 -3.254 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.447 -5.142 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.787 -5.985 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.114 -5.554 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.807 -0.837 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.507 -1.647 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.114 -0.970 -2.716 1.00 0.00 H new ATOM 282 N ASP A 18 5.457 -5.440 0.476 1.00 0.00 N ATOM 283 CA ASP A 18 5.546 -6.732 1.191 1.00 0.00 C ATOM 284 C ASP A 18 4.292 -7.083 2.011 1.00 0.00 C ATOM 285 O ASP A 18 3.989 -8.263 2.198 1.00 0.00 O ATOM 286 CB ASP A 18 6.790 -6.712 2.097 1.00 0.00 C ATOM 287 CG ASP A 18 7.053 -8.069 2.792 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.442 -9.041 2.097 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.901 -8.142 4.038 1.00 0.00 O ATOM 0 H ASP A 18 6.019 -4.712 0.916 1.00 0.00 H new ATOM 0 HA ASP A 18 5.625 -7.513 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.662 -6.440 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.668 -5.939 2.856 1.00 0.00 H new ATOM 294 N GLU A 19 3.547 -6.051 2.427 1.00 0.00 N ATOM 295 CA GLU A 19 2.276 -6.167 3.189 1.00 0.00 C ATOM 296 C GLU A 19 1.143 -5.318 2.624 1.00 0.00 C ATOM 297 O GLU A 19 0.038 -5.824 2.451 1.00 0.00 O ATOM 298 CB GLU A 19 2.469 -5.786 4.664 1.00 0.00 C ATOM 299 CG GLU A 19 3.444 -6.707 5.396 1.00 0.00 C ATOM 300 CD GLU A 19 3.527 -6.303 6.857 1.00 0.00 C ATOM 301 OE1 GLU A 19 2.704 -6.801 7.658 1.00 0.00 O ATOM 302 OE2 GLU A 19 4.413 -5.487 7.209 1.00 0.00 O ATOM 0 H GLU A 19 3.810 -5.083 2.243 1.00 0.00 H new ATOM 0 HA GLU A 19 1.994 -7.216 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.832 -4.760 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.504 -5.812 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.114 -7.742 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.430 -6.649 4.936 1.00 0.00 H new ATOM 309 N PHE A 20 1.412 -4.062 2.261 1.00 0.00 N ATOM 310 CA PHE A 20 0.415 -3.077 1.812 1.00 0.00 C ATOM 311 C PHE A 20 -0.376 -3.540 0.587 1.00 0.00 C ATOM 312 O PHE A 20 -1.591 -3.576 0.603 1.00 0.00 O ATOM 313 CB PHE A 20 1.167 -1.778 1.477 1.00 0.00 C ATOM 314 CG PHE A 20 0.365 -0.525 1.778 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.880 -0.309 1.150 1.00 0.00 C ATOM 316 CD2 PHE A 20 0.859 0.426 2.689 1.00 0.00 C ATOM 317 CE1 PHE A 20 -1.619 0.851 1.425 1.00 0.00 C ATOM 318 CE2 PHE A 20 0.124 1.589 2.953 1.00 0.00 C ATOM 319 CZ PHE A 20 -1.117 1.796 2.332 1.00 0.00 C ATOM 0 H PHE A 20 2.360 -3.686 2.270 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.312 -2.934 2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.098 -1.749 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.436 -1.784 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.266 -1.040 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.804 0.260 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.570 1.016 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.514 2.329 3.637 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.688 2.686 2.553 1.00 0.00 H new ATOM 329 N MET A 21 0.288 -4.020 -0.451 1.00 0.00 N ATOM 330 CA MET A 21 -0.338 -4.534 -1.683 1.00 0.00 C ATOM 331 C MET A 21 -1.295 -5.692 -1.403 1.00 0.00 C ATOM 332 O MET A 21 -2.316 -5.843 -2.064 1.00 0.00 O ATOM 333 CB MET A 21 0.759 -5.091 -2.592 1.00 0.00 C ATOM 334 CG MET A 21 1.315 -4.018 -3.510 1.00 0.00 C ATOM 335 SD MET A 21 0.206 -3.448 -4.817 1.00 0.00 S ATOM 336 CE MET A 21 -0.649 -4.951 -5.411 1.00 0.00 C ATOM 0 H MET A 21 1.307 -4.069 -0.472 1.00 0.00 H new ATOM 0 HA MET A 21 -0.888 -3.709 -2.136 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.563 -5.504 -1.983 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.358 -5.910 -3.189 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.601 -3.159 -2.902 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.226 -4.399 -3.973 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.948 -4.813 -6.450 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.024 -5.805 -5.337 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.533 -5.132 -4.800 1.00 0.00 H new ATOM 346 N GLY A 22 -1.003 -6.458 -0.361 1.00 0.00 N ATOM 347 CA GLY A 22 -1.882 -7.458 0.216 1.00 0.00 C ATOM 348 C GLY A 22 -3.029 -6.831 0.986 1.00 0.00 C ATOM 349 O GLY A 22 -4.125 -7.371 0.961 1.00 0.00 O ATOM 0 H GLY A 22 -0.108 -6.394 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.281 -8.091 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.309 -8.104 0.881 1.00 0.00 H new ATOM 353 N LYS A 23 -2.792 -5.745 1.719 1.00 0.00 N ATOM 354 CA LYS A 23 -3.720 -5.093 2.595 1.00 0.00 C ATOM 355 C LYS A 23 -4.838 -4.487 1.735 1.00 0.00 C ATOM 356 O LYS A 23 -6.020 -4.682 2.018 1.00 0.00 O ATOM 357 CB LYS A 23 -2.943 -4.219 3.590 1.00 0.00 C ATOM 358 CG LYS A 23 -2.964 -2.736 3.343 1.00 0.00 C ATOM 359 CD LYS A 23 -2.113 -2.006 4.394 1.00 0.00 C ATOM 360 CE LYS A 23 -2.870 -1.925 5.718 1.00 0.00 C ATOM 361 NZ LYS A 23 -1.983 -1.678 6.877 1.00 0.00 N ATOM 0 H LYS A 23 -1.884 -5.280 1.705 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.269 -5.750 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.340 -4.404 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.904 -4.549 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.583 -2.522 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.990 -2.369 3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.169 -2.531 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.870 -1.003 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.611 -1.128 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.415 -2.856 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.512 -1.834 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.173 -2.330 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.639 -0.697 6.848 1.00 0.00 H new ATOM 375 N ILE A 24 -4.456 -3.859 0.611 1.00 0.00 N ATOM 376 CA ILE A 24 -5.378 -3.457 -0.454 1.00 0.00 C ATOM 377 C ILE A 24 -5.964 -4.596 -1.294 1.00 0.00 C ATOM 378 O ILE A 24 -7.173 -4.600 -1.531 1.00 0.00 O ATOM 379 CB ILE A 24 -4.741 -2.414 -1.376 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.279 -2.521 -1.754 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.995 -1.043 -0.762 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.910 -1.636 -2.886 1.00 0.00 C ATOM 0 H ILE A 24 -3.485 -3.615 0.418 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.222 -3.028 0.086 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.226 -2.601 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.666 -2.270 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.052 -3.554 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.553 -0.273 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.069 -0.874 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.545 -0.999 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.850 -1.756 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.500 -1.902 -3.763 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.108 -0.599 -2.616 1.00 0.00 H new ATOM 394 N ALA A 25 -5.183 -5.595 -1.693 1.00 0.00 N ATOM 395 CA ALA A 25 -5.731 -6.755 -2.404 1.00 0.00 C ATOM 396 C ALA A 25 -6.745 -7.537 -1.539 1.00 0.00 C ATOM 397 O ALA A 25 -7.640 -8.195 -2.068 1.00 0.00 O ATOM 398 CB ALA A 25 -4.611 -7.668 -2.906 1.00 0.00 C ATOM 0 H ALA A 25 -4.175 -5.629 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.275 -6.378 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.044 -8.520 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.967 -7.113 -3.587 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.023 -8.022 -2.059 1.00 0.00 H new ATOM 404 N SER A 26 -6.643 -7.382 -0.217 1.00 0.00 N ATOM 405 CA SER A 26 -7.508 -7.955 0.813 1.00 0.00 C ATOM 406 C SER A 26 -8.507 -6.940 1.390 1.00 0.00 C ATOM 407 O SER A 26 -9.108 -7.183 2.442 1.00 0.00 O ATOM 408 CB SER A 26 -6.660 -8.592 1.935 1.00 0.00 C ATOM 409 OG SER A 26 -7.505 -9.155 2.920 1.00 0.00 O ATOM 0 H SER A 26 -5.901 -6.812 0.189 1.00 0.00 H new ATOM 0 HA SER A 26 -8.103 -8.731 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.010 -9.362 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.014 -7.839 2.386 1.00 0.00 H new ATOM 0 HG SER A 26 -8.409 -8.790 2.823 1.00 0.00 H new ATOM 415 N CYS A 27 -8.692 -5.768 0.782 1.00 0.00 N ATOM 416 CA CYS A 27 -9.419 -4.717 1.459 1.00 0.00 C ATOM 417 C CYS A 27 -10.941 -5.024 1.629 1.00 0.00 C ATOM 418 O CYS A 27 -11.618 -4.476 2.502 1.00 0.00 O ATOM 419 CB CYS A 27 -9.211 -3.426 0.704 1.00 0.00 C ATOM 420 SG CYS A 27 -9.982 -3.458 -0.901 1.00 0.00 S ATOM 0 H CYS A 27 -8.356 -5.535 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.025 -4.636 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -9.617 -2.597 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.143 -3.242 0.589 1.00 0.00 H new ATOM 0 HG CYS A 27 -9.151 -3.950 -1.772 1.00 0.00 H new ATOM 426 N GLN A 28 -11.459 -5.902 0.751 1.00 0.00 N ATOM 427 CA GLN A 28 -12.814 -6.509 0.653 1.00 0.00 C ATOM 428 C GLN A 28 -13.996 -5.534 0.475 1.00 0.00 C ATOM 429 O GLN A 28 -15.142 -5.946 0.304 1.00 0.00 O ATOM 430 CB GLN A 28 -13.086 -7.403 1.874 1.00 0.00 C ATOM 431 CG GLN A 28 -12.128 -8.591 2.016 1.00 0.00 C ATOM 432 CD GLN A 28 -12.046 -9.010 3.469 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.775 -9.865 3.949 1.00 0.00 O ATOM 434 NE2 GLN A 28 -11.177 -8.366 4.221 1.00 0.00 N ATOM 0 H GLN A 28 -10.869 -6.251 -0.004 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.773 -7.080 -0.274 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.026 -6.794 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.107 -7.781 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.475 -9.425 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.138 -8.318 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.574 -7.654 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.107 -8.579 5.216 1.00 0.00 H new ATOM 443 N THR A 29 -13.724 -4.238 0.544 1.00 0.00 N ATOM 444 CA THR A 29 -14.712 -3.158 0.625 1.00 0.00 C ATOM 445 C THR A 29 -14.079 -1.916 0.054 1.00 0.00 C ATOM 446 O THR A 29 -12.903 -1.656 0.323 1.00 0.00 O ATOM 447 CB THR A 29 -15.087 -2.843 2.081 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.945 -2.756 2.918 1.00 0.00 O ATOM 449 CG2 THR A 29 -16.047 -3.857 2.709 1.00 0.00 C ATOM 0 H THR A 29 -12.765 -3.889 0.545 1.00 0.00 H new ATOM 0 HA THR A 29 -15.607 -3.466 0.084 1.00 0.00 H new ATOM 0 HB THR A 29 -15.592 -1.879 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.337 -3.499 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.263 -3.565 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.974 -3.883 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.588 -4.846 2.702 1.00 0.00 H new ATOM 457 N LEU A 30 -14.813 -1.119 -0.726 1.00 0.00 N ATOM 458 CA LEU A 30 -14.191 0.096 -1.215 1.00 0.00 C ATOM 459 C LEU A 30 -14.001 1.056 -0.063 1.00 0.00 C ATOM 460 O LEU A 30 -13.053 1.810 0.030 1.00 0.00 O ATOM 461 CB LEU A 30 -15.049 0.802 -2.238 1.00 0.00 C ATOM 462 CG LEU A 30 -14.054 1.759 -2.914 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.653 1.338 -4.264 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.569 3.137 -2.926 1.00 0.00 C ATOM 0 H LEU A 30 -15.778 -1.283 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.245 -0.191 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.486 0.103 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.875 1.340 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.150 1.724 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.950 2.062 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.177 0.359 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.534 1.281 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.845 3.792 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.510 3.169 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.734 3.473 -1.902 1.00 0.00 H new ATOM 476 N GLU A 31 -14.976 1.019 0.815 1.00 0.00 N ATOM 477 CA GLU A 31 -15.093 1.858 1.961 1.00 0.00 C ATOM 478 C GLU A 31 -13.929 1.661 2.912 1.00 0.00 C ATOM 479 O GLU A 31 -13.444 2.620 3.513 1.00 0.00 O ATOM 480 CB GLU A 31 -16.424 1.413 2.566 1.00 0.00 C ATOM 481 CG GLU A 31 -17.000 2.490 3.419 1.00 0.00 C ATOM 482 CD GLU A 31 -18.201 1.996 4.211 1.00 0.00 C ATOM 483 OE1 GLU A 31 -19.331 2.049 3.670 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.020 1.552 5.365 1.00 0.00 O ATOM 0 H GLU A 31 -15.750 0.359 0.734 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.071 2.923 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.124 1.159 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -16.276 0.511 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.237 2.858 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.298 3.331 2.793 1.00 0.00 H new ATOM 491 N GLY A 32 -13.466 0.415 3.001 1.00 0.00 N ATOM 492 CA GLY A 32 -12.168 0.068 3.558 1.00 0.00 C ATOM 493 C GLY A 32 -10.947 0.396 2.725 1.00 0.00 C ATOM 494 O GLY A 32 -9.977 0.890 3.263 1.00 0.00 O ATOM 0 H GLY A 32 -13.997 -0.395 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.067 0.573 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.162 -1.003 3.759 1.00 0.00 H new ATOM 498 N LEU A 33 -10.960 0.208 1.423 1.00 0.00 N ATOM 499 CA LEU A 33 -9.869 0.590 0.526 1.00 0.00 C ATOM 500 C LEU A 33 -9.531 2.075 0.547 1.00 0.00 C ATOM 501 O LEU A 33 -8.388 2.468 0.573 1.00 0.00 O ATOM 502 CB LEU A 33 -10.368 0.215 -0.867 1.00 0.00 C ATOM 503 CG LEU A 33 -9.448 0.586 -2.039 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.997 0.236 -1.838 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.886 -0.195 -3.246 1.00 0.00 C ATOM 0 H LEU A 33 -11.746 -0.225 0.938 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.953 0.086 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.538 -0.861 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.334 0.694 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.527 1.668 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.425 0.535 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.615 0.759 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.899 -0.840 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.245 0.053 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.812 -1.262 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.919 0.057 -3.487 1.00 0.00 H new ATOM 517 N GLU A 34 -10.572 2.876 0.538 1.00 0.00 N ATOM 518 CA GLU A 34 -10.649 4.317 0.778 1.00 0.00 C ATOM 519 C GLU A 34 -10.153 4.745 2.166 1.00 0.00 C ATOM 520 O GLU A 34 -9.591 5.824 2.343 1.00 0.00 O ATOM 521 CB GLU A 34 -12.114 4.703 0.687 1.00 0.00 C ATOM 522 CG GLU A 34 -12.602 4.845 -0.753 1.00 0.00 C ATOM 523 CD GLU A 34 -12.134 6.100 -1.475 1.00 0.00 C ATOM 524 OE1 GLU A 34 -11.457 6.973 -0.892 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.441 6.211 -2.683 1.00 0.00 O ATOM 0 H GLU A 34 -11.498 2.498 0.340 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.011 4.806 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.715 3.950 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.270 5.645 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.271 3.975 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.692 4.830 -0.754 1.00 0.00 H new ATOM 532 N GLU A 35 -10.357 3.887 3.170 1.00 0.00 N ATOM 533 CA GLU A 35 -9.841 3.970 4.550 1.00 0.00 C ATOM 534 C GLU A 35 -8.353 3.625 4.568 1.00 0.00 C ATOM 535 O GLU A 35 -7.585 4.373 5.155 1.00 0.00 O ATOM 536 CB GLU A 35 -10.673 2.986 5.378 1.00 0.00 C ATOM 537 CG GLU A 35 -10.074 2.082 6.403 1.00 0.00 C ATOM 538 CD GLU A 35 -9.622 2.798 7.672 1.00 0.00 C ATOM 539 OE1 GLU A 35 -10.459 3.465 8.326 1.00 0.00 O ATOM 540 OE2 GLU A 35 -8.435 2.655 8.044 1.00 0.00 O ATOM 0 H GLU A 35 -10.929 3.053 3.035 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.929 4.974 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.432 3.577 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.195 2.346 4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.804 1.317 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.219 1.567 5.964 1.00 0.00 H new ATOM 547 N LEU A 36 -7.936 2.599 3.813 1.00 0.00 N ATOM 548 CA LEU A 36 -6.557 2.258 3.478 1.00 0.00 C ATOM 549 C LEU A 36 -5.920 3.411 2.691 1.00 0.00 C ATOM 550 O LEU A 36 -4.743 3.701 2.876 1.00 0.00 O ATOM 551 CB LEU A 36 -6.363 0.930 2.690 1.00 0.00 C ATOM 552 CG LEU A 36 -6.966 -0.330 3.306 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.877 -1.504 2.348 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.171 -0.685 4.526 1.00 0.00 C ATOM 0 H LEU A 36 -8.600 1.947 3.396 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.065 2.098 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.790 1.060 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.293 0.766 2.559 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.012 -0.133 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.314 -2.387 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.421 -1.269 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.832 -1.700 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.586 -1.584 4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.134 -0.867 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.214 0.137 5.240 1.00 0.00 H new ATOM 566 N GLU A 37 -6.682 4.075 1.821 1.00 0.00 N ATOM 567 CA GLU A 37 -6.237 5.181 1.004 1.00 0.00 C ATOM 568 C GLU A 37 -5.964 6.416 1.817 1.00 0.00 C ATOM 569 O GLU A 37 -4.922 7.054 1.686 1.00 0.00 O ATOM 570 CB GLU A 37 -7.275 5.562 -0.046 1.00 0.00 C ATOM 571 CG GLU A 37 -6.653 6.238 -1.255 1.00 0.00 C ATOM 572 CD GLU A 37 -6.542 7.759 -1.202 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.243 8.421 -0.406 1.00 0.00 O ATOM 574 OE2 GLU A 37 -5.770 8.285 -2.031 1.00 0.00 O ATOM 0 H GLU A 37 -7.663 3.840 1.668 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.319 4.833 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.808 4.667 -0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.012 6.229 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.653 5.828 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.238 5.969 -2.135 1.00 0.00 H new ATOM 581 N ALA A 38 -6.879 6.703 2.732 1.00 0.00 N ATOM 582 CA ALA A 38 -6.663 7.737 3.699 1.00 0.00 C ATOM 583 C ALA A 38 -5.482 7.371 4.606 1.00 0.00 C ATOM 584 O ALA A 38 -4.608 8.206 4.834 1.00 0.00 O ATOM 585 CB ALA A 38 -7.937 7.947 4.525 1.00 0.00 C ATOM 0 H ALA A 38 -7.776 6.225 2.814 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.424 8.668 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.769 8.734 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.755 8.235 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.194 7.021 5.039 1.00 0.00 H new ATOM 591 N TYR A 39 -5.390 6.114 5.055 1.00 0.00 N ATOM 592 CA TYR A 39 -4.282 5.635 5.877 1.00 0.00 C ATOM 593 C TYR A 39 -2.916 5.686 5.133 1.00 0.00 C ATOM 594 O TYR A 39 -1.903 6.040 5.731 1.00 0.00 O ATOM 595 CB TYR A 39 -4.596 4.248 6.456 1.00 0.00 C ATOM 596 CG TYR A 39 -3.405 3.330 6.570 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.469 3.447 7.616 1.00 0.00 C ATOM 598 CD2 TYR A 39 -3.173 2.421 5.526 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.302 2.664 7.602 1.00 0.00 C ATOM 600 CE2 TYR A 39 -2.002 1.662 5.504 1.00 0.00 C ATOM 601 CZ TYR A 39 -1.059 1.776 6.539 1.00 0.00 C ATOM 602 OH TYR A 39 0.073 1.015 6.516 1.00 0.00 O ATOM 0 H TYR A 39 -6.089 5.399 4.855 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.174 6.321 6.717 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.037 4.373 7.445 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.348 3.769 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.648 4.137 8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.903 2.309 4.738 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.590 2.745 8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.819 0.982 4.685 1.00 0.00 H new ATOM 0 HH TYR A 39 0.403 0.948 5.596 1.00 0.00 H new ATOM 612 N TYR A 40 -2.891 5.459 3.814 1.00 0.00 N ATOM 613 CA TYR A 40 -1.743 5.679 2.937 1.00 0.00 C ATOM 614 C TYR A 40 -1.350 7.156 3.014 1.00 0.00 C ATOM 615 O TYR A 40 -0.240 7.501 3.417 1.00 0.00 O ATOM 616 CB TYR A 40 -2.127 5.323 1.485 1.00 0.00 C ATOM 617 CG TYR A 40 -1.015 5.603 0.510 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.154 4.827 0.546 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.117 6.688 -0.374 1.00 0.00 C ATOM 620 CE1 TYR A 40 1.221 5.155 -0.295 1.00 0.00 C ATOM 621 CE2 TYR A 40 -0.054 7.013 -1.217 1.00 0.00 C ATOM 622 CZ TYR A 40 1.124 6.256 -1.161 1.00 0.00 C ATOM 623 OH TYR A 40 2.188 6.621 -1.911 1.00 0.00 O ATOM 0 H TYR A 40 -3.704 5.103 3.312 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.908 5.052 3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.396 4.268 1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.011 5.892 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.228 3.984 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.023 7.275 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.122 4.560 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.138 7.840 -1.906 1.00 0.00 H new ATOM 0 HH TYR A 40 1.896 6.798 -2.829 1.00 0.00 H new ATOM 633 N LYS A 41 -2.301 8.047 2.742 1.00 0.00 N ATOM 634 CA LYS A 41 -2.065 9.490 2.802 1.00 0.00 C ATOM 635 C LYS A 41 -1.635 9.991 4.201 1.00 0.00 C ATOM 636 O LYS A 41 -0.791 10.876 4.285 1.00 0.00 O ATOM 637 CB LYS A 41 -3.293 10.219 2.275 1.00 0.00 C ATOM 638 CG LYS A 41 -3.597 9.830 0.818 1.00 0.00 C ATOM 639 CD LYS A 41 -3.162 10.866 -0.212 1.00 0.00 C ATOM 640 CE LYS A 41 -1.681 10.689 -0.530 1.00 0.00 C ATOM 641 NZ LYS A 41 -1.021 11.951 -0.927 1.00 0.00 N ATOM 0 H LYS A 41 -3.252 7.792 2.475 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.212 9.717 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.153 9.985 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.134 11.295 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.102 8.884 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.669 9.661 0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.754 10.759 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.344 11.871 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.174 10.279 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.572 9.960 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.018 11.769 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.483 12.332 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.097 12.641 -0.153 1.00 0.00 H new ATOM 655 N LYS A 42 -2.144 9.410 5.297 1.00 0.00 N ATOM 656 CA LYS A 42 -1.813 9.649 6.694 1.00 0.00 C ATOM 657 C LYS A 42 -0.377 9.207 7.048 1.00 0.00 C ATOM 658 O LYS A 42 0.352 9.913 7.739 1.00 0.00 O ATOM 659 CB LYS A 42 -2.830 8.814 7.497 1.00 0.00 C ATOM 660 CG LYS A 42 -4.189 9.434 7.853 1.00 0.00 C ATOM 661 CD LYS A 42 -4.142 10.869 8.382 1.00 0.00 C ATOM 662 CE LYS A 42 -4.482 11.813 7.224 1.00 0.00 C ATOM 663 NZ LYS A 42 -4.319 13.240 7.582 1.00 0.00 N ATOM 0 H LYS A 42 -2.866 8.694 5.210 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.859 10.714 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.023 7.901 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.349 8.518 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.821 9.413 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.670 8.805 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.852 10.997 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.153 11.096 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.842 11.581 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.510 11.637 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.562 13.833 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.948 13.473 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.332 13.418 7.858 1.00 0.00 H new ATOM 677 N ARG A 43 0.044 8.052 6.535 1.00 0.00 N ATOM 678 CA ARG A 43 1.363 7.445 6.737 1.00 0.00 C ATOM 679 C ARG A 43 2.517 8.178 6.044 1.00 0.00 C ATOM 680 O ARG A 43 3.568 8.390 6.620 1.00 0.00 O ATOM 681 CB ARG A 43 1.247 6.001 6.220 1.00 0.00 C ATOM 682 CG ARG A 43 2.571 5.266 5.936 1.00 0.00 C ATOM 683 CD ARG A 43 2.309 3.929 5.230 1.00 0.00 C ATOM 684 NE ARG A 43 3.567 3.269 4.840 1.00 0.00 N ATOM 685 CZ ARG A 43 4.017 3.034 3.617 1.00 0.00 C ATOM 686 NH1 ARG A 43 3.425 3.427 2.528 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.117 2.369 3.424 1.00 0.00 N ATOM 0 H ARG A 43 -0.555 7.483 5.936 1.00 0.00 H new ATOM 0 HA ARG A 43 1.617 7.498 7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.684 5.421 6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.659 6.013 5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.214 5.891 5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.103 5.091 6.871 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.742 3.273 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.696 4.098 4.345 1.00 0.00 H new ATOM 0 HE ARG A 43 4.164 2.955 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.553 3.954 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.832 3.208 1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.648 2.019 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.449 2.197 2.475 1.00 0.00 H new ATOM 701 N VAL A 44 2.351 8.533 4.783 1.00 0.00 N ATOM 702 CA VAL A 44 3.398 8.893 3.822 1.00 0.00 C ATOM 703 C VAL A 44 4.283 10.074 4.195 1.00 0.00 C ATOM 704 O VAL A 44 5.445 10.151 3.802 1.00 0.00 O ATOM 705 CB VAL A 44 2.590 9.062 2.528 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.083 9.974 1.435 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.483 7.636 2.029 1.00 0.00 C ATOM 0 H VAL A 44 1.421 8.583 4.367 1.00 0.00 H new ATOM 0 HA VAL A 44 4.178 8.135 3.754 1.00 0.00 H new ATOM 0 HB VAL A 44 1.668 9.587 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.378 9.960 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.170 10.990 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.058 9.632 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.920 7.618 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.482 7.235 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.970 7.027 2.774 1.00 0.00 H new ATOM 717 N LYS A 45 3.735 10.939 5.033 1.00 0.00 N ATOM 718 CA LYS A 45 4.424 12.045 5.696 1.00 0.00 C ATOM 719 C LYS A 45 5.227 11.671 6.975 1.00 0.00 C ATOM 720 O LYS A 45 6.233 12.295 7.326 1.00 0.00 O ATOM 721 CB LYS A 45 3.334 13.059 6.023 1.00 0.00 C ATOM 722 CG LYS A 45 2.475 12.518 7.169 1.00 0.00 C ATOM 723 CD LYS A 45 1.119 13.211 7.350 1.00 0.00 C ATOM 724 CE LYS A 45 0.156 12.682 6.292 1.00 0.00 C ATOM 725 NZ LYS A 45 0.003 13.605 5.141 1.00 0.00 N ATOM 0 H LYS A 45 2.748 10.890 5.285 1.00 0.00 H new ATOM 0 HA LYS A 45 5.194 12.426 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.780 14.013 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.716 13.243 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.303 11.455 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.038 12.608 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.726 13.019 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.230 14.291 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.513 11.717 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.819 12.512 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.858 14.175 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.830 14.234 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.070 13.054 4.262 1.00 0.00 H new ATOM 739 N GLU A 46 4.722 10.649 7.676 1.00 0.00 N ATOM 740 CA GLU A 46 5.149 10.049 8.951 1.00 0.00 C ATOM 741 C GLU A 46 6.283 9.046 8.760 1.00 0.00 C ATOM 742 O GLU A 46 6.936 8.614 9.711 1.00 0.00 O ATOM 743 CB GLU A 46 3.938 9.380 9.584 1.00 0.00 C ATOM 744 CG GLU A 46 4.062 9.172 11.081 1.00 0.00 C ATOM 745 CD GLU A 46 4.287 10.463 11.860 1.00 0.00 C ATOM 746 OE1 GLU A 46 3.363 11.301 11.891 1.00 0.00 O ATOM 747 OE2 GLU A 46 5.374 10.618 12.464 1.00 0.00 O ATOM 0 H GLU A 46 3.901 10.160 7.319 1.00 0.00 H new ATOM 0 HA GLU A 46 5.538 10.831 9.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.054 9.986 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.777 8.414 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.157 8.689 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.889 8.490 11.277 1.00 0.00 H new ATOM 754 N THR A 47 6.533 8.716 7.498 1.00 0.00 N ATOM 755 CA THR A 47 7.603 7.818 7.060 1.00 0.00 C ATOM 756 C THR A 47 8.158 8.211 5.670 1.00 0.00 C ATOM 757 O THR A 47 8.294 9.404 5.379 1.00 0.00 O ATOM 758 CB THR A 47 7.156 6.344 7.230 1.00 0.00 C ATOM 759 OG1 THR A 47 8.173 5.413 6.939 1.00 0.00 O ATOM 760 CG2 THR A 47 5.920 6.004 6.407 1.00 0.00 C ATOM 0 H THR A 47 5.978 9.077 6.722 1.00 0.00 H new ATOM 0 HA THR A 47 8.474 7.929 7.705 1.00 0.00 H new ATOM 0 HB THR A 47 6.910 6.261 8.289 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.830 4.504 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.653 4.959 6.566 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.091 6.641 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.130 6.168 5.350 1.00 0.00 H new ATOM 768 N GLU A 48 8.579 7.248 4.836 1.00 0.00 N ATOM 769 CA GLU A 48 9.635 7.366 3.822 1.00 0.00 C ATOM 770 C GLU A 48 9.235 6.671 2.536 1.00 0.00 C ATOM 771 O GLU A 48 9.971 5.877 1.946 1.00 0.00 O ATOM 772 CB GLU A 48 10.998 6.886 4.329 1.00 0.00 C ATOM 773 CG GLU A 48 11.291 7.486 5.696 1.00 0.00 C ATOM 774 CD GLU A 48 12.724 7.193 6.113 1.00 0.00 C ATOM 775 OE1 GLU A 48 12.965 6.138 6.748 1.00 0.00 O ATOM 776 OE2 GLU A 48 13.612 8.022 5.813 1.00 0.00 O ATOM 0 H GLU A 48 8.168 6.315 4.853 1.00 0.00 H new ATOM 0 HA GLU A 48 9.751 8.428 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.008 5.798 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.778 7.172 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.127 8.563 5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.601 7.077 6.434 1.00 0.00 H new ATOM 783 N LEU A 49 8.002 6.960 2.141 1.00 0.00 N ATOM 784 CA LEU A 49 7.436 6.660 0.839 1.00 0.00 C ATOM 785 C LEU A 49 8.318 7.264 -0.277 1.00 0.00 C ATOM 786 O LEU A 49 8.223 8.428 -0.674 1.00 0.00 O ATOM 787 CB LEU A 49 5.942 7.051 0.896 1.00 0.00 C ATOM 788 CG LEU A 49 5.058 6.852 -0.336 1.00 0.00 C ATOM 789 CD1 LEU A 49 5.447 7.765 -1.470 1.00 0.00 C ATOM 790 CD2 LEU A 49 5.016 5.395 -0.721 1.00 0.00 C ATOM 0 H LEU A 49 7.339 7.434 2.754 1.00 0.00 H new ATOM 0 HA LEU A 49 7.443 5.602 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.490 6.491 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.892 8.106 1.166 1.00 0.00 H new ATOM 0 HG LEU A 49 4.039 7.143 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.791 7.587 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.353 8.803 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.479 7.567 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.383 5.269 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.025 5.049 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.610 4.812 0.106 1.00 0.00 H new ATOM 802 N LYS A 50 9.266 6.429 -0.703 1.00 0.00 N ATOM 803 CA LYS A 50 10.000 6.522 -1.959 1.00 0.00 C ATOM 804 C LYS A 50 9.039 6.416 -3.154 1.00 0.00 C ATOM 805 O LYS A 50 7.903 5.958 -3.009 1.00 0.00 O ATOM 806 CB LYS A 50 11.049 5.391 -1.976 1.00 0.00 C ATOM 807 CG LYS A 50 10.536 4.021 -2.450 1.00 0.00 C ATOM 808 CD LYS A 50 10.832 2.932 -1.436 1.00 0.00 C ATOM 809 CE LYS A 50 9.984 3.158 -0.185 1.00 0.00 C ATOM 810 NZ LYS A 50 10.107 2.055 0.796 1.00 0.00 N ATOM 0 H LYS A 50 9.557 5.625 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 50 10.500 7.487 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.874 5.694 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.455 5.280 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.461 4.075 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.001 3.768 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.615 1.953 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.891 2.939 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.283 4.094 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.939 3.267 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.160 1.705 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.663 1.281 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.584 2.403 1.652 1.00 0.00 H new ATOM 824 N ASP A 51 9.527 6.673 -4.362 1.00 0.00 N ATOM 825 CA ASP A 51 8.712 6.560 -5.580 1.00 0.00 C ATOM 826 C ASP A 51 8.152 5.150 -5.783 1.00 0.00 C ATOM 827 O ASP A 51 6.985 4.972 -6.100 1.00 0.00 O ATOM 828 CB ASP A 51 9.502 7.023 -6.810 1.00 0.00 C ATOM 829 CG ASP A 51 10.788 6.217 -7.109 1.00 0.00 C ATOM 830 OD1 ASP A 51 11.769 6.341 -6.340 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.814 5.487 -8.129 1.00 0.00 O ATOM 0 H ASP A 51 10.490 6.964 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 51 7.855 7.221 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.849 6.972 -7.682 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.772 8.070 -6.675 1.00 0.00 H new ATOM 836 N THR A 52 8.960 4.133 -5.503 1.00 0.00 N ATOM 837 CA THR A 52 8.678 2.723 -5.799 1.00 0.00 C ATOM 838 C THR A 52 7.412 2.197 -5.124 1.00 0.00 C ATOM 839 O THR A 52 6.593 1.560 -5.787 1.00 0.00 O ATOM 840 CB THR A 52 9.836 1.910 -5.221 1.00 0.00 C ATOM 841 OG1 THR A 52 11.081 2.354 -5.718 1.00 0.00 O ATOM 842 CG2 THR A 52 9.739 0.404 -5.471 1.00 0.00 C ATOM 0 H THR A 52 9.863 4.267 -5.047 1.00 0.00 H new ATOM 0 HA THR A 52 8.550 2.634 -6.878 1.00 0.00 H new ATOM 0 HB THR A 52 9.763 2.076 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.788 2.126 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.601 -0.095 -5.027 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.825 0.018 -5.020 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.722 0.214 -6.544 1.00 0.00 H new ATOM 850 N ASP A 53 7.244 2.443 -3.813 1.00 0.00 N ATOM 851 CA ASP A 53 6.037 2.021 -3.086 1.00 0.00 C ATOM 852 C ASP A 53 4.828 2.717 -3.680 1.00 0.00 C ATOM 853 O ASP A 53 3.847 2.059 -4.046 1.00 0.00 O ATOM 854 CB ASP A 53 6.209 2.239 -1.557 1.00 0.00 C ATOM 855 CG ASP A 53 5.000 2.239 -0.589 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.831 2.134 -1.007 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.253 2.348 0.637 1.00 0.00 O ATOM 0 H ASP A 53 7.929 2.932 -3.237 1.00 0.00 H new ATOM 0 HA ASP A 53 5.875 0.950 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.895 1.468 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.714 3.197 -1.430 1.00 0.00 H new ATOM 862 N ASP A 54 4.978 4.021 -3.916 1.00 0.00 N ATOM 863 CA ASP A 54 3.830 4.860 -4.214 1.00 0.00 C ATOM 864 C ASP A 54 3.152 4.426 -5.505 1.00 0.00 C ATOM 865 O ASP A 54 1.955 4.202 -5.532 1.00 0.00 O ATOM 866 CB ASP A 54 4.409 6.269 -4.490 1.00 0.00 C ATOM 867 CG ASP A 54 3.401 7.446 -4.578 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.165 7.254 -4.482 1.00 0.00 O ATOM 869 OD2 ASP A 54 3.865 8.599 -4.763 1.00 0.00 O ATOM 0 H ASP A 54 5.874 4.509 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 54 3.113 4.813 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.128 6.498 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.964 6.229 -5.427 1.00 0.00 H new ATOM 874 N ILE A 55 3.928 4.190 -6.556 1.00 0.00 N ATOM 875 CA ILE A 55 3.332 3.782 -7.842 1.00 0.00 C ATOM 876 C ILE A 55 2.735 2.390 -7.788 1.00 0.00 C ATOM 877 O ILE A 55 1.612 2.157 -8.220 1.00 0.00 O ATOM 878 CB ILE A 55 4.288 3.848 -9.065 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.528 4.742 -8.872 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.485 4.287 -10.307 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.770 3.847 -8.804 1.00 0.00 C ATOM 0 H ILE A 55 4.945 4.268 -6.556 1.00 0.00 H new ATOM 0 HA ILE A 55 2.552 4.529 -7.992 1.00 0.00 H new ATOM 0 HB ILE A 55 4.692 2.844 -9.196 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.616 5.450 -9.696 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.433 5.328 -7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.148 4.336 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.691 3.566 -10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.048 5.270 -10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.657 4.465 -8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.676 3.157 -7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.862 3.281 -9.731 1.00 0.00 H new ATOM 893 N SER A 56 3.517 1.471 -7.216 1.00 0.00 N ATOM 894 CA SER A 56 3.151 0.066 -7.262 1.00 0.00 C ATOM 895 C SER A 56 1.864 -0.217 -6.498 1.00 0.00 C ATOM 896 O SER A 56 0.936 -0.854 -6.995 1.00 0.00 O ATOM 897 CB SER A 56 4.315 -0.745 -6.681 1.00 0.00 C ATOM 898 OG SER A 56 5.124 -1.271 -7.714 1.00 0.00 O ATOM 0 H SER A 56 4.389 1.675 -6.727 1.00 0.00 H new ATOM 0 HA SER A 56 2.962 -0.220 -8.297 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.916 -0.111 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.927 -1.558 -6.067 1.00 0.00 H new ATOM 0 HG SER A 56 5.862 -1.784 -7.323 1.00 0.00 H new ATOM 904 N VAL A 57 1.839 0.290 -5.266 1.00 0.00 N ATOM 905 CA VAL A 57 0.702 0.254 -4.370 1.00 0.00 C ATOM 906 C VAL A 57 -0.458 1.112 -4.821 1.00 0.00 C ATOM 907 O VAL A 57 -1.569 0.616 -4.891 1.00 0.00 O ATOM 908 CB VAL A 57 1.146 0.557 -2.935 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.917 1.968 -2.482 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.412 -0.300 -1.926 1.00 0.00 C ATOM 0 H VAL A 57 2.649 0.755 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 57 0.307 -0.761 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 57 2.216 0.353 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.264 2.081 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.468 2.652 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.147 2.198 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.756 -0.054 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.659 -0.112 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.610 -1.352 -2.130 1.00 0.00 H new ATOM 920 N ARG A 58 -0.231 2.356 -5.246 1.00 0.00 N ATOM 921 CA ARG A 58 -1.373 3.224 -5.598 1.00 0.00 C ATOM 922 C ARG A 58 -2.056 2.743 -6.845 1.00 0.00 C ATOM 923 O ARG A 58 -3.274 2.809 -6.948 1.00 0.00 O ATOM 924 CB ARG A 58 -1.023 4.672 -5.891 1.00 0.00 C ATOM 925 CG ARG A 58 -2.159 5.629 -5.531 1.00 0.00 C ATOM 926 CD ARG A 58 -2.152 5.985 -4.032 1.00 0.00 C ATOM 927 NE ARG A 58 -3.053 7.115 -3.731 1.00 0.00 N ATOM 928 CZ ARG A 58 -2.823 8.393 -3.974 1.00 0.00 C ATOM 929 NH1 ARG A 58 -1.725 8.826 -4.537 1.00 0.00 N ATOM 930 NH2 ARG A 58 -3.715 9.278 -3.634 1.00 0.00 N ATOM 0 H ARG A 58 0.691 2.779 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.996 3.172 -4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.129 4.947 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.783 4.778 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.068 6.540 -6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.114 5.174 -5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.455 5.114 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.137 6.237 -3.723 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.944 6.886 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.997 8.166 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.596 9.824 -4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.581 8.982 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.547 10.267 -3.817 1.00 0.00 H new ATOM 944 N ASP A 59 -1.284 2.242 -7.802 1.00 0.00 N ATOM 945 CA ASP A 59 -1.880 1.810 -9.058 1.00 0.00 C ATOM 946 C ASP A 59 -2.776 0.580 -8.862 1.00 0.00 C ATOM 947 O ASP A 59 -3.694 0.347 -9.642 1.00 0.00 O ATOM 948 CB ASP A 59 -0.791 1.495 -10.089 1.00 0.00 C ATOM 949 CG ASP A 59 -1.324 1.226 -11.511 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.794 2.183 -12.176 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.267 0.060 -11.972 1.00 0.00 O ATOM 0 H ASP A 59 -0.273 2.127 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.498 2.629 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.091 2.330 -10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.230 0.623 -9.753 1.00 0.00 H new ATOM 956 N ALA A 60 -2.410 -0.256 -7.889 1.00 0.00 N ATOM 957 CA ALA A 60 -3.135 -1.373 -7.299 1.00 0.00 C ATOM 958 C ALA A 60 -4.320 -1.006 -6.412 1.00 0.00 C ATOM 959 O ALA A 60 -5.357 -1.647 -6.448 1.00 0.00 O ATOM 960 CB ALA A 60 -2.124 -2.197 -6.533 1.00 0.00 C ATOM 0 H ALA A 60 -1.496 -0.151 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.600 -1.926 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.624 -3.049 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.353 -2.554 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.665 -1.582 -5.759 1.00 0.00 H new ATOM 966 N LEU A 61 -4.151 0.004 -5.566 1.00 0.00 N ATOM 967 CA LEU A 61 -5.123 0.544 -4.646 1.00 0.00 C ATOM 968 C LEU A 61 -6.218 1.240 -5.428 1.00 0.00 C ATOM 969 O LEU A 61 -7.368 0.827 -5.384 1.00 0.00 O ATOM 970 CB LEU A 61 -4.292 1.545 -3.833 1.00 0.00 C ATOM 971 CG LEU A 61 -4.991 2.118 -2.629 1.00 0.00 C ATOM 972 CD1 LEU A 61 -4.014 2.197 -1.468 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.676 3.450 -2.889 1.00 0.00 C ATOM 0 H LEU A 61 -3.261 0.498 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.618 -0.198 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.377 1.053 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.995 2.365 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.805 1.439 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.519 2.612 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.646 1.198 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.176 2.838 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.156 3.797 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.936 4.183 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.427 3.327 -3.669 1.00 0.00 H new ATOM 985 N ALA A 62 -5.821 2.133 -6.331 1.00 0.00 N ATOM 986 CA ALA A 62 -6.670 2.629 -7.412 1.00 0.00 C ATOM 987 C ALA A 62 -7.150 1.528 -8.374 1.00 0.00 C ATOM 988 O ALA A 62 -8.242 1.595 -8.940 1.00 0.00 O ATOM 989 CB ALA A 62 -5.991 3.794 -8.139 1.00 0.00 C ATOM 0 H ALA A 62 -4.885 2.539 -6.333 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.583 3.006 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.638 4.150 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.807 4.605 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.044 3.457 -8.560 1.00 0.00 H new ATOM 995 N GLY A 63 -6.312 0.507 -8.526 1.00 0.00 N ATOM 996 CA GLY A 63 -6.511 -0.720 -9.275 1.00 0.00 C ATOM 997 C GLY A 63 -7.783 -1.406 -8.811 1.00 0.00 C ATOM 998 O GLY A 63 -8.690 -1.653 -9.603 1.00 0.00 O ATOM 0 H GLY A 63 -5.392 0.524 -8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.574 -0.500 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.658 -1.384 -9.136 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.830 -1.657 -7.501 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.941 -2.201 -6.748 1.00 0.00 C ATOM 1004 C LYS A 64 -10.107 -1.230 -6.628 1.00 0.00 C ATOM 1005 O LYS A 64 -11.244 -1.656 -6.599 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.426 -2.813 -5.435 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.416 -3.853 -4.891 1.00 0.00 C ATOM 1008 CD LYS A 64 -8.823 -5.267 -4.756 1.00 0.00 C ATOM 1009 CE LYS A 64 -9.940 -6.257 -4.370 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.461 -7.655 -4.320 1.00 0.00 N ATOM 0 H LYS A 64 -7.027 -1.468 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.391 -3.025 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.456 -3.281 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.276 -2.026 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.773 -3.525 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.283 -3.895 -5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.362 -5.571 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.039 -5.274 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.347 -5.980 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.755 -6.180 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.274 -8.297 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.945 -7.877 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.827 -7.776 -3.505 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.860 0.066 -6.530 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.871 1.077 -6.283 1.00 0.00 C ATOM 1026 C ARG A 65 -11.951 0.984 -7.334 1.00 0.00 C ATOM 1027 O ARG A 65 -13.092 0.720 -6.998 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.217 2.450 -6.222 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.888 3.520 -5.344 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.719 4.265 -4.690 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.104 5.524 -4.046 1.00 0.00 N ATOM 1032 CZ ARG A 65 -9.390 6.633 -3.950 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -8.237 6.806 -4.549 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -9.825 7.603 -3.205 1.00 0.00 N ATOM 0 H ARG A 65 -8.921 0.454 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.351 0.909 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.194 2.319 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.157 2.839 -7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.505 4.193 -5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.540 3.069 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.256 3.615 -3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.963 4.472 -5.448 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.031 5.548 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.846 6.062 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.731 7.685 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.707 7.504 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.284 8.464 -3.122 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.561 0.929 -8.605 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.512 0.771 -9.709 1.00 0.00 C ATOM 1050 C ALA A 66 -13.351 -0.510 -9.602 1.00 0.00 C ATOM 1051 O ALA A 66 -14.528 -0.522 -9.974 1.00 0.00 O ATOM 1052 CB ALA A 66 -11.778 0.722 -11.033 1.00 0.00 C ATOM 0 H ALA A 66 -10.587 0.992 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.178 1.632 -9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.497 0.604 -11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.220 1.648 -11.174 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.088 -0.121 -11.035 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.740 -1.592 -9.112 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.386 -2.895 -8.945 1.00 0.00 C ATOM 1060 C GLU A 67 -14.454 -2.820 -7.880 1.00 0.00 C ATOM 1061 O GLU A 67 -15.539 -3.370 -7.984 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.368 -3.905 -8.415 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.086 -3.947 -9.207 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.246 -4.658 -10.548 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.240 -5.909 -10.562 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.342 -3.967 -11.587 1.00 0.00 O ATOM 0 H GLU A 67 -11.764 -1.586 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.798 -3.183 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.136 -3.663 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.819 -4.897 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.737 -2.929 -9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.318 -4.453 -8.621 1.00 0.00 H new ATOM 1073 N LEU A 68 -14.018 -2.218 -6.780 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.751 -2.001 -5.564 1.00 0.00 C ATOM 1075 C LEU A 68 -15.911 -1.023 -5.669 1.00 0.00 C ATOM 1076 O LEU A 68 -16.881 -1.091 -4.929 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.743 -1.732 -4.503 1.00 0.00 C ATOM 1078 CG LEU A 68 -13.242 -3.049 -3.950 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -12.196 -2.652 -3.011 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -14.254 -3.735 -3.039 1.00 0.00 C ATOM 0 H LEU A 68 -13.070 -1.845 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.315 -2.894 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.913 -1.155 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.186 -1.134 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.978 -3.705 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.764 -3.541 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.418 -2.104 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.624 -2.015 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.837 -4.674 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.481 -3.086 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.168 -3.937 -3.597 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.726 -0.050 -6.550 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.631 0.968 -7.019 1.00 0.00 C ATOM 1094 C GLU A 69 -17.671 0.413 -7.999 1.00 0.00 C ATOM 1095 O GLU A 69 -18.820 0.845 -8.040 1.00 0.00 O ATOM 1096 CB GLU A 69 -15.730 1.971 -7.728 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.324 3.211 -6.934 1.00 0.00 C ATOM 1098 CD GLU A 69 -14.710 4.240 -7.876 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -15.480 5.013 -8.487 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -13.468 4.277 -8.006 1.00 0.00 O ATOM 0 H GLU A 69 -14.818 0.048 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.202 1.401 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.822 1.453 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.235 2.299 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.194 3.635 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.608 2.940 -6.158 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.251 -0.609 -8.752 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.160 -1.592 -9.377 1.00 0.00 C ATOM 1109 C ASP A 70 -18.827 -2.481 -8.320 1.00 0.00 C ATOM 1110 O ASP A 70 -19.906 -3.033 -8.557 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.418 -2.462 -10.414 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.758 -2.096 -11.871 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.853 -2.491 -12.342 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -16.945 -1.419 -12.549 1.00 0.00 O ATOM 0 H ASP A 70 -16.266 -0.784 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.937 -1.030 -9.895 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.344 -2.359 -10.262 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.665 -3.510 -10.243 1.00 0.00 H new ATOM 1119 N SER A 71 -18.218 -2.552 -7.132 1.00 0.00 N ATOM 1120 CA SER A 71 -18.769 -3.270 -5.957 1.00 0.00 C ATOM 1121 C SER A 71 -19.417 -2.331 -4.900 1.00 0.00 C ATOM 1122 O SER A 71 -19.530 -2.685 -3.720 1.00 0.00 O ATOM 1123 CB SER A 71 -17.692 -4.183 -5.348 1.00 0.00 C ATOM 1124 OG SER A 71 -18.246 -5.299 -4.663 1.00 0.00 O ATOM 0 H SER A 71 -17.317 -2.110 -6.948 1.00 0.00 H new ATOM 0 HA SER A 71 -19.592 -3.890 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.032 -4.538 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.079 -3.605 -4.657 1.00 0.00 H new ATOM 0 HG SER A 71 -17.523 -5.849 -4.296 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.818 -1.110 -5.308 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.294 0.002 -4.450 1.00 0.00 C ATOM 1132 C ASP A 72 -21.540 -0.316 -3.595 1.00 0.00 C ATOM 1133 O ASP A 72 -21.841 0.426 -2.661 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.550 1.235 -5.338 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.125 2.476 -4.619 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.363 3.168 -3.897 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.321 2.803 -4.829 1.00 0.00 O ATOM 0 H ASP A 72 -19.820 -0.856 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.505 0.190 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.611 1.517 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.237 0.949 -6.134 1.00 0.00 H new ATOM 1142 N ASP A 73 -22.251 -1.413 -3.899 1.00 0.00 N ATOM 1143 CA ASP A 73 -23.454 -1.907 -3.191 1.00 0.00 C ATOM 1144 C ASP A 73 -23.361 -1.844 -1.649 1.00 0.00 C ATOM 1145 O ASP A 73 -22.348 -2.237 -1.056 1.00 0.00 O ATOM 1146 CB ASP A 73 -23.755 -3.333 -3.659 1.00 0.00 C ATOM 1147 CG ASP A 73 -24.958 -3.991 -2.947 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -26.097 -3.478 -3.073 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -24.759 -5.028 -2.270 1.00 0.00 O ATOM 0 H ASP A 73 -21.994 -2.013 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 73 -24.271 -1.233 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -23.945 -3.319 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -22.871 -3.950 -3.500 1.00 0.00 H new ATOM 1154 N GLU A 74 -24.433 -1.373 -1.000 1.00 0.00 N ATOM 1155 CA GLU A 74 -24.457 -0.945 0.417 1.00 0.00 C ATOM 1156 C GLU A 74 -25.413 -1.759 1.291 1.00 0.00 C ATOM 1157 O GLU A 74 -26.430 -2.277 0.817 1.00 0.00 O ATOM 1158 CB GLU A 74 -24.797 0.543 0.550 1.00 0.00 C ATOM 1159 CG GLU A 74 -23.815 1.386 -0.257 1.00 0.00 C ATOM 1160 CD GLU A 74 -24.031 2.865 0.013 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -23.539 3.357 1.056 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -24.670 3.542 -0.820 1.00 0.00 O ATOM 0 H GLU A 74 -25.340 -1.273 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 74 -23.446 -1.128 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -25.814 0.723 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.763 0.838 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.793 1.109 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.942 1.183 -1.320 1.00 0.00 H new ATOM 1169 N VAL A 75 -25.091 -1.840 2.585 1.00 0.00 N ATOM 1170 CA VAL A 75 -25.848 -2.611 3.600 1.00 0.00 C ATOM 1171 C VAL A 75 -27.356 -2.312 3.572 1.00 0.00 C ATOM 1172 O VAL A 75 -27.769 -1.154 3.522 1.00 0.00 O ATOM 1173 CB VAL A 75 -25.314 -2.374 5.028 1.00 0.00 C ATOM 1174 CG1 VAL A 75 -26.123 -3.135 6.095 1.00 0.00 C ATOM 1175 CG2 VAL A 75 -23.856 -2.838 5.160 1.00 0.00 C ATOM 0 H VAL A 75 -24.278 -1.363 2.975 1.00 0.00 H new ATOM 0 HA VAL A 75 -25.699 -3.657 3.332 1.00 0.00 H new ATOM 0 HB VAL A 75 -25.402 -1.300 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -25.705 -2.933 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -27.162 -2.806 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -26.076 -4.205 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -23.508 -2.658 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -23.792 -3.903 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -23.233 -2.283 4.459 1.00 0.00 H new ATOM 1185 N GLU A 76 -28.149 -3.387 3.651 1.00 0.00 N ATOM 1186 CA GLU A 76 -29.610 -3.510 3.846 1.00 0.00 C ATOM 1187 C GLU A 76 -30.554 -2.837 2.846 1.00 0.00 C ATOM 1188 O GLU A 76 -31.702 -3.271 2.726 1.00 0.00 O ATOM 1189 CB GLU A 76 -30.019 -3.179 5.294 1.00 0.00 C ATOM 1190 CG GLU A 76 -30.334 -1.706 5.547 1.00 0.00 C ATOM 1191 CD GLU A 76 -30.892 -1.530 6.947 1.00 0.00 C ATOM 1192 OE1 GLU A 76 -30.092 -1.391 7.899 1.00 0.00 O ATOM 1193 OE2 GLU A 76 -32.135 -1.517 7.096 1.00 0.00 O ATOM 0 H GLU A 76 -27.732 -4.314 3.570 1.00 0.00 H new ATOM 0 HA GLU A 76 -29.761 -4.566 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -30.894 -3.774 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -29.215 -3.485 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -29.431 -1.107 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -31.054 -1.348 4.811 1.00 0.00 H new ATOM 1200 N GLU A 77 -30.108 -1.811 2.116 1.00 0.00 N ATOM 1201 CA GLU A 77 -30.888 -1.152 1.045 1.00 0.00 C ATOM 1202 C GLU A 77 -31.108 -2.096 -0.133 1.00 0.00 C ATOM 1203 O GLU A 77 -32.148 -2.057 -0.792 1.00 0.00 O ATOM 1204 CB GLU A 77 -30.206 0.123 0.527 1.00 0.00 C ATOM 1205 CG GLU A 77 -30.071 1.188 1.611 1.00 0.00 C ATOM 1206 CD GLU A 77 -29.628 2.510 1.003 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -30.513 3.286 0.565 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -28.407 2.776 0.974 1.00 0.00 O ATOM 0 H GLU A 77 -29.183 -1.403 2.248 1.00 0.00 H new ATOM 0 HA GLU A 77 -31.845 -0.881 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -29.218 -0.127 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -30.781 0.527 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -31.024 1.317 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -29.348 0.864 2.360 1.00 0.00 H new ATOM 1215 N SER A 78 -30.124 -2.979 -0.342 1.00 0.00 N ATOM 1216 CA SER A 78 -30.156 -4.024 -1.369 1.00 0.00 C ATOM 1217 C SER A 78 -29.181 -5.216 -1.157 1.00 0.00 C ATOM 1218 O SER A 78 -29.088 -6.095 -2.022 1.00 0.00 O ATOM 1219 CB SER A 78 -29.945 -3.374 -2.754 1.00 0.00 C ATOM 1220 OG SER A 78 -29.020 -2.291 -2.727 1.00 0.00 O ATOM 0 H SER A 78 -29.266 -2.986 0.210 1.00 0.00 H new ATOM 0 HA SER A 78 -31.141 -4.484 -1.294 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.589 -4.131 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.903 -3.016 -3.131 1.00 0.00 H new ATOM 0 HG SER A 78 -28.108 -2.638 -2.815 1.00 0.00 H new ATOM 1226 N PHE A 79 -28.474 -5.261 -0.017 1.00 0.00 N ATOM 1227 CA PHE A 79 -27.499 -6.304 0.326 1.00 0.00 C ATOM 1228 C PHE A 79 -28.126 -7.715 0.444 1.00 0.00 C ATOM 1229 O PHE A 79 -27.600 -8.655 -0.193 1.00 0.00 O ATOM 1230 CB PHE A 79 -26.777 -5.907 1.622 1.00 0.00 C ATOM 1231 CG PHE A 79 -25.541 -6.720 1.946 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -24.312 -6.403 1.333 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -25.605 -7.779 2.872 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -23.156 -7.141 1.635 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -24.447 -8.517 3.178 1.00 0.00 C ATOM 1236 CZ PHE A 79 -23.223 -8.201 2.556 1.00 0.00 C ATOM 1237 OXT PHE A 79 -29.135 -7.878 1.167 1.00 0.00 O ATOM 0 H PHE A 79 -28.569 -4.552 0.711 1.00 0.00 H new ATOM 0 HA PHE A 79 -26.784 -6.373 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -26.494 -4.857 1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -27.478 -5.995 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -24.259 -5.588 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -26.543 -8.025 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -22.217 -6.895 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -24.496 -9.327 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 79 -22.336 -8.773 2.787 1.00 0.00 H new TER 1247 PHE A 79