USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 46 SER OG : rot 120:sc= 0.153 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.369 K(o=-0.22,f=-1.2) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= -0.0807 (180deg=-1.46!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -160:sc=-0.00436 USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 17 CYS SG : rot 81:sc= 0.163 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 78:sc= 0.143 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.31) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0955 K(o=-0.096,f=-0.64) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0763 USER MOD Single : A 36 THR OG1 : rot -49:sc= 1.06 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0495 (180deg=-0.291) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -140:sc= -0.162 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 77:sc= 0.986 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 77 SER OG : rot 88:sc= 0.899 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 0.069 -0.671 -2.376 1.00 0.00 N ATOM 19 CA ARG A 2 -0.900 -0.836 -3.452 1.00 0.00 C ATOM 20 C ARG A 2 -0.573 0.085 -4.624 1.00 0.00 C ATOM 21 O ARG A 2 -0.647 -0.321 -5.783 1.00 0.00 O ATOM 22 CB ARG A 2 -2.314 -0.547 -2.942 1.00 0.00 C ATOM 23 CG ARG A 2 -2.468 0.834 -2.326 1.00 0.00 C ATOM 24 CD ARG A 2 -3.562 0.853 -1.269 1.00 0.00 C ATOM 25 NE ARG A 2 -4.895 0.911 -1.862 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.013 0.685 -1.181 1.00 0.00 C ATOM 27 NH1 ARG A 2 -5.958 0.388 0.110 1.00 0.00 N ATOM 28 NH2 ARG A 2 -7.189 0.756 -1.791 1.00 0.00 N ATOM 0 HA ARG A 2 -0.849 -1.868 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.017 -0.647 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.585 -1.299 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.523 1.142 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.702 1.558 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.480 -0.038 -0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.419 1.713 -0.614 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.972 1.137 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.056 0.333 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.818 0.215 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.235 0.984 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.047 0.582 -1.267 1.00 0.00 H new ATOM 42 N GLU A 3 -0.211 1.325 -4.312 1.00 0.00 N ATOM 43 CA GLU A 3 0.127 2.303 -5.340 1.00 0.00 C ATOM 44 C GLU A 3 1.225 1.772 -6.257 1.00 0.00 C ATOM 45 O GLU A 3 1.183 1.968 -7.471 1.00 0.00 O ATOM 46 CB GLU A 3 0.574 3.618 -4.698 1.00 0.00 C ATOM 47 CG GLU A 3 -0.576 4.463 -4.177 1.00 0.00 C ATOM 48 CD GLU A 3 -0.104 5.644 -3.352 1.00 0.00 C ATOM 49 OE1 GLU A 3 0.738 6.418 -3.852 1.00 0.00 O ATOM 50 OE2 GLU A 3 -0.578 5.795 -2.206 1.00 0.00 O ATOM 0 H GLU A 3 -0.144 1.676 -3.357 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.765 2.485 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.254 3.398 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.137 4.197 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.166 4.825 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.234 3.841 -3.571 1.00 0.00 H new ATOM 57 N GLU A 4 2.208 1.099 -5.665 1.00 0.00 N ATOM 58 CA GLU A 4 3.318 0.541 -6.428 1.00 0.00 C ATOM 59 C GLU A 4 2.827 -0.525 -7.403 1.00 0.00 C ATOM 60 O GLU A 4 3.259 -0.574 -8.554 1.00 0.00 O ATOM 61 CB GLU A 4 4.364 -0.057 -5.485 1.00 0.00 C ATOM 62 CG GLU A 4 5.407 0.944 -5.018 1.00 0.00 C ATOM 63 CD GLU A 4 6.654 0.276 -4.472 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.773 -0.959 -4.606 1.00 0.00 O ATOM 65 OE2 GLU A 4 7.510 0.990 -3.909 1.00 0.00 O ATOM 0 H GLU A 4 2.258 0.928 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 4 3.775 1.349 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.859 -0.475 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.866 -0.883 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.681 1.592 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.974 1.581 -4.247 1.00 0.00 H new ATOM 72 N MET A 5 1.921 -1.376 -6.932 1.00 0.00 N ATOM 73 CA MET A 5 1.371 -2.441 -7.762 1.00 0.00 C ATOM 74 C MET A 5 0.581 -1.865 -8.933 1.00 0.00 C ATOM 75 O MET A 5 0.709 -2.326 -10.068 1.00 0.00 O ATOM 76 CB MET A 5 0.473 -3.355 -6.927 1.00 0.00 C ATOM 77 CG MET A 5 1.119 -4.685 -6.573 1.00 0.00 C ATOM 78 SD MET A 5 2.259 -4.554 -5.182 1.00 0.00 S ATOM 79 CE MET A 5 3.833 -4.741 -6.015 1.00 0.00 C ATOM 0 H MET A 5 1.553 -1.349 -5.981 1.00 0.00 H new ATOM 0 HA MET A 5 2.202 -3.024 -8.159 1.00 0.00 H new ATOM 0 HB2 MET A 5 0.197 -2.838 -6.008 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.450 -3.543 -7.476 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.341 -5.410 -6.333 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.654 -5.067 -7.442 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.640 -4.682 -5.285 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.867 -5.708 -6.516 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.952 -3.946 -6.752 1.00 0.00 H new ATOM 89 N VAL A 6 -0.235 -0.855 -8.651 1.00 0.00 N ATOM 90 CA VAL A 6 -1.045 -0.215 -9.681 1.00 0.00 C ATOM 91 C VAL A 6 -0.168 0.431 -10.747 1.00 0.00 C ATOM 92 O VAL A 6 -0.396 0.257 -11.944 1.00 0.00 O ATOM 93 CB VAL A 6 -1.976 0.855 -9.079 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.783 1.536 -10.173 1.00 0.00 C ATOM 95 CG2 VAL A 6 -2.893 0.237 -8.035 1.00 0.00 C ATOM 0 H VAL A 6 -0.353 -0.462 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.651 -0.997 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.363 1.611 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.435 2.289 -9.729 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.106 2.014 -10.881 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.388 0.794 -10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.543 1.007 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.501 -0.540 -8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.293 -0.200 -7.237 1.00 0.00 H new ATOM 105 N LYS A 7 0.837 1.179 -10.304 1.00 0.00 N ATOM 106 CA LYS A 7 1.752 1.851 -11.220 1.00 0.00 C ATOM 107 C LYS A 7 2.490 0.840 -12.092 1.00 0.00 C ATOM 108 O LYS A 7 2.612 1.022 -13.303 1.00 0.00 O ATOM 109 CB LYS A 7 2.759 2.697 -10.437 1.00 0.00 C ATOM 110 CG LYS A 7 2.152 3.942 -9.813 1.00 0.00 C ATOM 111 CD LYS A 7 3.077 4.551 -8.773 1.00 0.00 C ATOM 112 CE LYS A 7 4.162 5.399 -9.420 1.00 0.00 C ATOM 113 NZ LYS A 7 5.306 4.570 -9.892 1.00 0.00 N ATOM 0 H LYS A 7 1.039 1.335 -9.316 1.00 0.00 H new ATOM 0 HA LYS A 7 1.165 2.502 -11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.201 2.085 -9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.569 2.993 -11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.945 4.676 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.198 3.690 -9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.497 5.164 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.537 3.757 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.740 5.948 -10.262 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.520 6.139 -8.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.198 5.071 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.308 3.661 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.212 4.398 -10.913 1.00 0.00 H new ATOM 127 N LYS A 8 2.980 -0.226 -11.468 1.00 0.00 N ATOM 128 CA LYS A 8 3.704 -1.268 -12.187 1.00 0.00 C ATOM 129 C LYS A 8 2.817 -1.914 -13.246 1.00 0.00 C ATOM 130 O LYS A 8 3.252 -2.146 -14.375 1.00 0.00 O ATOM 131 CB LYS A 8 4.209 -2.333 -11.210 1.00 0.00 C ATOM 132 CG LYS A 8 4.941 -3.479 -11.886 1.00 0.00 C ATOM 133 CD LYS A 8 6.175 -2.992 -12.628 1.00 0.00 C ATOM 134 CE LYS A 8 7.158 -4.125 -12.879 1.00 0.00 C ATOM 135 NZ LYS A 8 8.069 -4.336 -11.720 1.00 0.00 N ATOM 0 H LYS A 8 2.889 -0.391 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 8 4.557 -0.807 -12.685 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.875 -1.864 -10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.363 -2.733 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.232 -4.217 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.270 -3.980 -12.584 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.878 -2.549 -13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.663 -2.207 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.609 -5.044 -13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.748 -3.904 -13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.723 -5.116 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.612 -3.467 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.509 -4.572 -10.876 1.00 0.00 H new ATOM 149 N CYS A 9 1.574 -2.200 -12.876 1.00 0.00 N ATOM 150 CA CYS A 9 0.626 -2.819 -13.796 1.00 0.00 C ATOM 151 C CYS A 9 0.358 -1.912 -14.992 1.00 0.00 C ATOM 152 O CYS A 9 0.307 -2.372 -16.134 1.00 0.00 O ATOM 153 CB CYS A 9 -0.686 -3.133 -13.074 1.00 0.00 C ATOM 154 SG CYS A 9 -1.806 -4.200 -14.011 1.00 0.00 S ATOM 0 H CYS A 9 1.199 -2.013 -11.946 1.00 0.00 H new ATOM 0 HA CYS A 9 1.064 -3.749 -14.159 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.459 -3.611 -12.121 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.197 -2.197 -12.848 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.014 -4.075 -13.547 1.00 0.00 H new ATOM 160 N LEU A 10 0.185 -0.623 -14.724 1.00 0.00 N ATOM 161 CA LEU A 10 -0.080 0.350 -15.778 1.00 0.00 C ATOM 162 C LEU A 10 1.088 0.423 -16.757 1.00 0.00 C ATOM 163 O LEU A 10 0.893 0.428 -17.972 1.00 0.00 O ATOM 164 CB LEU A 10 -0.340 1.730 -15.172 1.00 0.00 C ATOM 165 CG LEU A 10 -1.560 2.480 -15.710 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.565 2.469 -17.231 1.00 0.00 C ATOM 167 CD2 LEU A 10 -2.843 1.870 -15.166 1.00 0.00 C ATOM 0 H LEU A 10 0.223 -0.227 -13.785 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.967 0.027 -16.323 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.455 1.616 -14.094 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.543 2.348 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.503 3.516 -15.375 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.440 3.007 -17.596 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.661 2.953 -17.601 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.598 1.439 -17.587 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.701 2.416 -15.559 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.907 0.825 -15.471 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.842 1.931 -14.078 1.00 0.00 H new ATOM 179 N GLY A 11 2.302 0.479 -16.218 1.00 0.00 N ATOM 180 CA GLY A 11 3.484 0.549 -17.058 1.00 0.00 C ATOM 181 C GLY A 11 3.645 -0.676 -17.936 1.00 0.00 C ATOM 182 O GLY A 11 3.859 -0.559 -19.142 1.00 0.00 O ATOM 0 H GLY A 11 2.488 0.477 -15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.427 1.438 -17.687 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.367 0.660 -16.429 1.00 0.00 H new ATOM 186 N GLU A 12 3.544 -1.854 -17.329 1.00 0.00 N ATOM 187 CA GLU A 12 3.682 -3.106 -18.064 1.00 0.00 C ATOM 188 C GLU A 12 2.526 -3.294 -19.041 1.00 0.00 C ATOM 189 O GLU A 12 2.706 -3.820 -20.140 1.00 0.00 O ATOM 190 CB GLU A 12 3.743 -4.288 -17.095 1.00 0.00 C ATOM 191 CG GLU A 12 2.448 -4.519 -16.334 1.00 0.00 C ATOM 192 CD GLU A 12 2.546 -5.670 -15.351 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.505 -5.688 -14.552 1.00 0.00 O ATOM 194 OE2 GLU A 12 1.662 -6.552 -15.382 1.00 0.00 O ATOM 0 H GLU A 12 3.367 -1.968 -16.331 1.00 0.00 H new ATOM 0 HA GLU A 12 4.611 -3.063 -18.632 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.993 -5.191 -17.652 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.549 -4.120 -16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.179 -3.609 -15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.645 -4.719 -17.043 1.00 0.00 H new ATOM 201 N LEU A 13 1.338 -2.862 -18.633 1.00 0.00 N ATOM 202 CA LEU A 13 0.150 -2.982 -19.471 1.00 0.00 C ATOM 203 C LEU A 13 0.292 -2.149 -20.740 1.00 0.00 C ATOM 204 O LEU A 13 -0.060 -2.595 -21.833 1.00 0.00 O ATOM 205 CB LEU A 13 -1.093 -2.542 -18.695 1.00 0.00 C ATOM 206 CG LEU A 13 -1.770 -3.619 -17.847 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.952 -3.035 -17.088 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.217 -4.783 -18.720 1.00 0.00 C ATOM 0 H LEU A 13 1.172 -2.425 -17.726 1.00 0.00 H new ATOM 0 HA LEU A 13 0.041 -4.029 -19.756 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.815 -1.715 -18.042 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.823 -2.155 -19.406 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.047 -3.992 -17.122 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.422 -3.816 -16.490 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.605 -2.236 -16.433 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.677 -2.635 -17.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.697 -5.540 -18.099 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.924 -4.426 -19.468 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.351 -5.218 -19.218 1.00 0.00 H new ATOM 220 N THR A 14 0.814 -0.935 -20.590 1.00 0.00 N ATOM 221 CA THR A 14 1.004 -0.039 -21.724 1.00 0.00 C ATOM 222 C THR A 14 1.905 -0.671 -22.778 1.00 0.00 C ATOM 223 O THR A 14 1.641 -0.566 -23.976 1.00 0.00 O ATOM 224 CB THR A 14 1.614 1.305 -21.282 1.00 0.00 C ATOM 225 OG1 THR A 14 0.838 1.869 -20.219 1.00 0.00 O ATOM 226 CG2 THR A 14 1.675 2.281 -22.447 1.00 0.00 C ATOM 0 H THR A 14 1.113 -0.550 -19.694 1.00 0.00 H new ATOM 0 HA THR A 14 0.018 0.142 -22.153 1.00 0.00 H new ATOM 0 HB THR A 14 2.629 1.120 -20.931 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.138 1.498 -19.363 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.109 3.222 -22.111 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.291 1.861 -23.242 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.668 2.460 -22.825 1.00 0.00 H new ATOM 234 N GLU A 15 2.969 -1.327 -22.325 1.00 0.00 N ATOM 235 CA GLU A 15 3.909 -1.976 -23.232 1.00 0.00 C ATOM 236 C GLU A 15 3.263 -3.177 -23.916 1.00 0.00 C ATOM 237 O GLU A 15 3.338 -3.325 -25.136 1.00 0.00 O ATOM 238 CB GLU A 15 5.161 -2.419 -22.473 1.00 0.00 C ATOM 239 CG GLU A 15 5.827 -1.299 -21.691 1.00 0.00 C ATOM 240 CD GLU A 15 6.951 -1.796 -20.803 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.169 -3.025 -20.755 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.612 -0.957 -20.157 1.00 0.00 O ATOM 0 H GLU A 15 3.201 -1.423 -21.336 1.00 0.00 H new ATOM 0 HA GLU A 15 4.194 -1.254 -23.997 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.894 -3.222 -21.786 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.878 -2.832 -23.182 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.220 -0.558 -22.388 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.080 -0.795 -21.078 1.00 0.00 H new ATOM 249 N VAL A 16 2.630 -4.034 -23.121 1.00 0.00 N ATOM 250 CA VAL A 16 1.971 -5.223 -23.649 1.00 0.00 C ATOM 251 C VAL A 16 0.880 -4.850 -24.646 1.00 0.00 C ATOM 252 O VAL A 16 0.800 -5.418 -25.735 1.00 0.00 O ATOM 253 CB VAL A 16 1.353 -6.069 -22.520 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.628 -7.277 -23.094 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.424 -6.500 -21.530 1.00 0.00 C ATOM 0 H VAL A 16 2.560 -3.927 -22.109 1.00 0.00 H new ATOM 0 HA VAL A 16 2.736 -5.811 -24.156 1.00 0.00 H new ATOM 0 HB VAL A 16 0.625 -5.457 -21.988 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.198 -7.863 -22.282 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.167 -6.942 -23.760 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.333 -7.893 -23.652 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.969 -7.097 -20.739 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.178 -7.095 -22.046 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.893 -5.618 -21.095 1.00 0.00 H new ATOM 265 N CYS A 17 0.042 -3.891 -24.266 1.00 0.00 N ATOM 266 CA CYS A 17 -1.046 -3.441 -25.127 1.00 0.00 C ATOM 267 C CYS A 17 -0.502 -2.763 -26.380 1.00 0.00 C ATOM 268 O CYS A 17 -1.042 -2.931 -27.474 1.00 0.00 O ATOM 269 CB CYS A 17 -1.960 -2.478 -24.367 1.00 0.00 C ATOM 270 SG CYS A 17 -2.856 -3.240 -22.994 1.00 0.00 S ATOM 0 H CYS A 17 0.095 -3.411 -23.368 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.623 -4.315 -25.430 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.361 -1.653 -23.982 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.680 -2.051 -25.065 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.077 -3.314 -21.956 1.00 0.00 H new ATOM 276 N LYS A 18 0.569 -1.995 -26.214 1.00 0.00 N ATOM 277 CA LYS A 18 1.187 -1.290 -27.331 1.00 0.00 C ATOM 278 C LYS A 18 1.716 -2.274 -28.370 1.00 0.00 C ATOM 279 O LYS A 18 1.479 -2.114 -29.567 1.00 0.00 O ATOM 280 CB LYS A 18 2.326 -0.399 -26.831 1.00 0.00 C ATOM 281 CG LYS A 18 2.991 0.412 -27.930 1.00 0.00 C ATOM 282 CD LYS A 18 3.800 1.565 -27.360 1.00 0.00 C ATOM 283 CE LYS A 18 2.942 2.805 -27.164 1.00 0.00 C ATOM 284 NZ LYS A 18 3.768 4.016 -26.903 1.00 0.00 N ATOM 0 H LYS A 18 1.028 -1.845 -25.316 1.00 0.00 H new ATOM 0 HA LYS A 18 0.426 -0.667 -27.801 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.938 0.281 -26.073 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.077 -1.022 -26.345 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.642 -0.235 -28.518 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.231 0.800 -28.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.236 1.268 -26.406 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.628 1.796 -28.030 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.330 2.967 -28.051 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.258 2.645 -26.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.146 4.840 -26.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.333 3.872 -26.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.403 4.184 -27.710 1.00 0.00 H new ATOM 298 N SER A 19 2.431 -3.293 -27.903 1.00 0.00 N ATOM 299 CA SER A 19 2.995 -4.301 -28.793 1.00 0.00 C ATOM 300 C SER A 19 1.890 -5.087 -29.492 1.00 0.00 C ATOM 301 O SER A 19 1.943 -5.314 -30.702 1.00 0.00 O ATOM 302 CB SER A 19 3.897 -5.256 -28.008 1.00 0.00 C ATOM 303 OG SER A 19 5.007 -4.570 -27.456 1.00 0.00 O ATOM 0 H SER A 19 2.633 -3.442 -26.914 1.00 0.00 H new ATOM 0 HA SER A 19 3.589 -3.791 -29.551 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.324 -5.729 -27.210 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.247 -6.053 -28.664 1.00 0.00 H new ATOM 0 HG SER A 19 4.724 -4.082 -26.655 1.00 0.00 H new ATOM 309 N LEU A 20 0.890 -5.502 -28.723 1.00 0.00 N ATOM 310 CA LEU A 20 -0.229 -6.263 -29.267 1.00 0.00 C ATOM 311 C LEU A 20 -1.014 -5.431 -30.277 1.00 0.00 C ATOM 312 O LEU A 20 -1.376 -5.916 -31.348 1.00 0.00 O ATOM 313 CB LEU A 20 -1.155 -6.723 -28.140 1.00 0.00 C ATOM 314 CG LEU A 20 -0.718 -7.978 -27.382 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.402 -8.048 -26.026 1.00 0.00 C ATOM 316 CD2 LEU A 20 -1.021 -9.226 -28.199 1.00 0.00 C ATOM 0 H LEU A 20 0.831 -5.324 -27.720 1.00 0.00 H new ATOM 0 HA LEU A 20 0.173 -7.137 -29.778 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.256 -5.907 -27.424 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.144 -6.903 -28.560 1.00 0.00 H new ATOM 0 HG LEU A 20 0.359 -7.925 -27.220 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.079 -8.947 -25.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.136 -7.170 -25.438 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.483 -8.077 -26.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.704 -10.109 -27.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.092 -9.284 -28.391 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.484 -9.180 -29.147 1.00 0.00 H new ATOM 328 N GLY A 21 -1.271 -4.174 -29.928 1.00 0.00 N ATOM 329 CA GLY A 21 -2.009 -3.295 -30.816 1.00 0.00 C ATOM 330 C GLY A 21 -1.205 -2.895 -32.037 1.00 0.00 C ATOM 331 O GLY A 21 -1.768 -2.597 -33.090 1.00 0.00 O ATOM 0 H GLY A 21 -0.982 -3.749 -29.047 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.925 -3.792 -31.135 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.306 -2.399 -30.271 1.00 0.00 H new ATOM 335 N LYS A 22 0.116 -2.888 -31.897 1.00 0.00 N ATOM 336 CA LYS A 22 1.001 -2.522 -32.996 1.00 0.00 C ATOM 337 C LYS A 22 1.059 -3.632 -34.040 1.00 0.00 C ATOM 338 O LYS A 22 0.947 -3.377 -35.240 1.00 0.00 O ATOM 339 CB LYS A 22 2.408 -2.227 -32.470 1.00 0.00 C ATOM 340 CG LYS A 22 3.504 -2.476 -33.492 1.00 0.00 C ATOM 341 CD LYS A 22 4.706 -1.580 -33.249 1.00 0.00 C ATOM 342 CE LYS A 22 5.814 -1.848 -34.256 1.00 0.00 C ATOM 343 NZ LYS A 22 7.136 -1.366 -33.769 1.00 0.00 N ATOM 0 H LYS A 22 0.598 -3.132 -31.032 1.00 0.00 H new ATOM 0 HA LYS A 22 0.601 -1.624 -33.467 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.455 -1.188 -32.145 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.595 -2.844 -31.591 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.813 -3.520 -33.449 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.115 -2.300 -34.495 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.401 -0.535 -33.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.084 -1.742 -32.239 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.870 -2.918 -34.458 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.574 -1.357 -35.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.864 -1.567 -34.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.091 -0.341 -33.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.378 -1.853 -32.882 1.00 0.00 H new ATOM 357 N VAL A 23 1.234 -4.866 -33.577 1.00 0.00 N ATOM 358 CA VAL A 23 1.304 -6.015 -34.471 1.00 0.00 C ATOM 359 C VAL A 23 -0.047 -6.288 -35.122 1.00 0.00 C ATOM 360 O VAL A 23 -0.122 -6.620 -36.305 1.00 0.00 O ATOM 361 CB VAL A 23 1.766 -7.280 -33.723 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.190 -7.110 -33.215 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.817 -7.598 -32.577 1.00 0.00 C ATOM 0 H VAL A 23 1.330 -5.095 -32.588 1.00 0.00 H new ATOM 0 HA VAL A 23 2.033 -5.771 -35.243 1.00 0.00 H new ATOM 0 HB VAL A 23 1.752 -8.118 -34.420 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.499 -8.013 -32.689 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.858 -6.934 -34.058 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.234 -6.261 -32.533 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.159 -8.495 -32.060 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.797 -6.761 -31.878 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.185 -7.766 -32.971 1.00 0.00 H new ATOM 373 N PHE A 24 -1.113 -6.147 -34.342 1.00 0.00 N ATOM 374 CA PHE A 24 -2.463 -6.379 -34.842 1.00 0.00 C ATOM 375 C PHE A 24 -2.825 -5.363 -35.922 1.00 0.00 C ATOM 376 O PHE A 24 -3.747 -5.578 -36.708 1.00 0.00 O ATOM 377 CB PHE A 24 -3.475 -6.304 -33.696 1.00 0.00 C ATOM 378 CG PHE A 24 -3.838 -7.646 -33.129 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.323 -8.651 -33.950 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.695 -7.902 -31.775 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.658 -9.888 -33.431 1.00 0.00 C ATOM 382 CE2 PHE A 24 -4.029 -9.137 -31.251 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.512 -10.131 -32.079 1.00 0.00 C ATOM 0 H PHE A 24 -1.068 -5.873 -33.360 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.494 -7.376 -35.280 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.066 -5.681 -32.901 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.380 -5.812 -34.053 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.441 -8.466 -35.008 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.319 -7.129 -31.122 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.033 -10.664 -34.082 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.912 -9.324 -30.194 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.775 -11.096 -31.671 1.00 0.00 H new ATOM 393 N GLY A 25 -2.091 -4.254 -35.953 1.00 0.00 N ATOM 394 CA GLY A 25 -2.350 -3.221 -36.939 1.00 0.00 C ATOM 395 C GLY A 25 -3.464 -2.284 -36.518 1.00 0.00 C ATOM 396 O GLY A 25 -4.205 -1.773 -37.357 1.00 0.00 O ATOM 0 H GLY A 25 -1.322 -4.053 -35.313 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.439 -2.646 -37.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.611 -3.687 -37.889 1.00 0.00 H new ATOM 400 N VAL A 26 -3.584 -2.058 -35.213 1.00 0.00 N ATOM 401 CA VAL A 26 -4.616 -1.176 -34.682 1.00 0.00 C ATOM 402 C VAL A 26 -4.004 -0.038 -33.873 1.00 0.00 C ATOM 403 O VAL A 26 -2.782 0.070 -33.760 1.00 0.00 O ATOM 404 CB VAL A 26 -5.609 -1.946 -33.792 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.512 -2.829 -34.641 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.865 -2.772 -32.755 1.00 0.00 C ATOM 0 H VAL A 26 -2.979 -2.474 -34.505 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.150 -0.764 -35.538 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.235 -1.224 -33.267 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.207 -3.366 -33.996 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.072 -2.210 -35.342 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.905 -3.545 -35.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.582 -3.309 -32.135 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.213 -3.486 -33.258 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.265 -2.113 -32.127 1.00 0.00 H new ATOM 416 N HIS A 27 -4.860 0.810 -33.312 1.00 0.00 N ATOM 417 CA HIS A 27 -4.403 1.940 -32.511 1.00 0.00 C ATOM 418 C HIS A 27 -4.550 1.645 -31.021 1.00 0.00 C ATOM 419 O HIS A 27 -5.445 0.908 -30.609 1.00 0.00 O ATOM 420 CB HIS A 27 -5.190 3.200 -32.874 1.00 0.00 C ATOM 421 CG HIS A 27 -5.320 3.422 -34.349 1.00 0.00 C ATOM 422 ND1 HIS A 27 -6.275 2.797 -35.123 1.00 0.00 N ATOM 423 CD2 HIS A 27 -4.609 4.206 -35.192 1.00 0.00 C ATOM 424 CE1 HIS A 27 -6.144 3.186 -36.379 1.00 0.00 C ATOM 425 NE2 HIS A 27 -5.141 4.042 -36.447 1.00 0.00 N ATOM 0 H HIS A 27 -5.874 0.736 -33.397 1.00 0.00 H new ATOM 0 HA HIS A 27 -3.348 2.105 -32.728 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.186 3.135 -32.436 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.701 4.065 -32.427 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.778 4.842 -34.927 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.753 2.859 -37.209 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.814 4.506 -37.295 1.00 0.00 H new ATOM 433 N TYR A 28 -3.664 2.225 -30.219 1.00 0.00 N ATOM 434 CA TYR A 28 -3.693 2.022 -28.775 1.00 0.00 C ATOM 435 C TYR A 28 -5.058 2.387 -28.201 1.00 0.00 C ATOM 436 O TYR A 28 -5.589 1.688 -27.337 1.00 0.00 O ATOM 437 CB TYR A 28 -2.604 2.857 -28.100 1.00 0.00 C ATOM 438 CG TYR A 28 -2.740 4.343 -28.345 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.197 4.933 -29.480 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.412 5.157 -27.441 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.319 6.290 -29.707 1.00 0.00 C ATOM 442 CE2 TYR A 28 -3.540 6.515 -27.661 1.00 0.00 C ATOM 443 CZ TYR A 28 -2.991 7.077 -28.796 1.00 0.00 C ATOM 444 OH TYR A 28 -3.115 8.429 -29.018 1.00 0.00 O ATOM 0 H TYR A 28 -2.917 2.839 -30.544 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.507 0.966 -28.578 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.628 2.671 -27.026 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.629 2.526 -28.459 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.671 4.320 -30.197 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.841 4.721 -26.551 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.890 6.732 -30.594 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.067 7.133 -26.949 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.617 8.837 -28.282 1.00 0.00 H new ATOM 454 N PHE A 29 -5.623 3.487 -28.687 1.00 0.00 N ATOM 455 CA PHE A 29 -6.927 3.947 -28.223 1.00 0.00 C ATOM 456 C PHE A 29 -8.048 3.120 -28.846 1.00 0.00 C ATOM 457 O PHE A 29 -9.213 3.257 -28.476 1.00 0.00 O ATOM 458 CB PHE A 29 -7.120 5.426 -28.563 1.00 0.00 C ATOM 459 CG PHE A 29 -7.707 6.228 -27.437 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.024 6.369 -26.240 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.942 6.841 -27.576 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.563 7.106 -25.202 1.00 0.00 C ATOM 463 CE2 PHE A 29 -9.485 7.579 -26.541 1.00 0.00 C ATOM 464 CZ PHE A 29 -8.794 7.713 -25.353 1.00 0.00 C ATOM 0 H PHE A 29 -5.198 4.077 -29.402 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.965 3.822 -27.141 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.157 5.855 -28.841 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.769 5.509 -29.434 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.060 5.898 -26.116 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.486 6.741 -28.503 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.021 7.207 -24.273 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.449 8.051 -26.661 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.215 8.291 -24.544 1.00 0.00 H new ATOM 474 N ASN A 30 -7.686 2.260 -29.793 1.00 0.00 N ATOM 475 CA ASN A 30 -8.661 1.411 -30.468 1.00 0.00 C ATOM 476 C ASN A 30 -8.794 0.066 -29.760 1.00 0.00 C ATOM 477 O ASN A 30 -9.737 -0.685 -30.006 1.00 0.00 O ATOM 478 CB ASN A 30 -8.255 1.194 -31.927 1.00 0.00 C ATOM 479 CG ASN A 30 -9.072 2.038 -32.886 1.00 0.00 C ATOM 480 OD1 ASN A 30 -9.208 3.248 -32.705 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.622 1.401 -33.913 1.00 0.00 N ATOM 0 H ASN A 30 -6.725 2.133 -30.110 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.627 1.915 -30.437 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.198 1.433 -32.047 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.374 0.141 -32.182 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.184 1.916 -34.591 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.483 0.397 -34.024 1.00 0.00 H new ATOM 488 N ILE A 31 -7.843 -0.229 -28.880 1.00 0.00 N ATOM 489 CA ILE A 31 -7.855 -1.482 -28.135 1.00 0.00 C ATOM 490 C ILE A 31 -8.133 -1.240 -26.656 1.00 0.00 C ATOM 491 O ILE A 31 -8.757 -2.064 -25.987 1.00 0.00 O ATOM 492 CB ILE A 31 -6.518 -2.235 -28.278 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.344 -1.272 -28.090 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.438 -2.919 -29.634 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.036 -1.968 -27.784 1.00 0.00 C ATOM 0 H ILE A 31 -7.055 0.382 -28.666 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.654 -2.092 -28.557 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.463 -3.000 -27.504 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.226 -0.675 -28.994 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.577 -0.581 -27.280 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.488 -3.447 -29.720 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.258 -3.630 -29.732 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.510 -2.171 -30.424 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.248 -1.225 -27.663 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.137 -2.543 -26.864 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.780 -2.638 -28.605 1.00 0.00 H new ATOM 507 N PHE A 32 -7.668 -0.102 -26.150 1.00 0.00 N ATOM 508 CA PHE A 32 -7.868 0.250 -24.749 1.00 0.00 C ATOM 509 C PHE A 32 -7.993 1.762 -24.581 1.00 0.00 C ATOM 510 O PHE A 32 -7.349 2.531 -25.293 1.00 0.00 O ATOM 511 CB PHE A 32 -6.709 -0.275 -23.899 1.00 0.00 C ATOM 512 CG PHE A 32 -5.403 0.413 -24.177 1.00 0.00 C ATOM 513 CD1 PHE A 32 -5.129 1.656 -23.630 1.00 0.00 C ATOM 514 CD2 PHE A 32 -4.448 -0.185 -24.983 1.00 0.00 C ATOM 515 CE1 PHE A 32 -3.928 2.291 -23.884 1.00 0.00 C ATOM 516 CE2 PHE A 32 -3.245 0.445 -25.241 1.00 0.00 C ATOM 517 CZ PHE A 32 -2.985 1.684 -24.690 1.00 0.00 C ATOM 0 H PHE A 32 -7.150 0.592 -26.689 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.795 -0.213 -24.412 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.958 -0.153 -22.845 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.593 -1.344 -24.078 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.862 2.134 -22.998 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.646 -1.155 -25.415 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.727 3.261 -23.453 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.510 -0.031 -25.873 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.045 2.178 -24.889 1.00 0.00 H new ATOM 527 N ASN A 33 -8.827 2.179 -23.634 1.00 0.00 N ATOM 528 CA ASN A 33 -9.038 3.598 -23.373 1.00 0.00 C ATOM 529 C ASN A 33 -8.457 3.994 -22.019 1.00 0.00 C ATOM 530 O ASN A 33 -8.155 3.139 -21.186 1.00 0.00 O ATOM 531 CB ASN A 33 -10.532 3.929 -23.415 1.00 0.00 C ATOM 532 CG ASN A 33 -11.049 4.086 -24.832 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.484 4.833 -25.632 1.00 0.00 O ATOM 534 ND2 ASN A 33 -12.128 3.381 -25.150 1.00 0.00 N ATOM 0 H ASN A 33 -9.367 1.555 -23.035 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.524 4.165 -24.149 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.091 3.139 -22.913 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.713 4.850 -22.861 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.521 3.446 -26.089 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.564 2.774 -24.455 1.00 0.00 H new ATOM 541 N THR A 34 -8.302 5.297 -21.806 1.00 0.00 N ATOM 542 CA THR A 34 -7.757 5.808 -20.554 1.00 0.00 C ATOM 543 C THR A 34 -8.501 5.233 -19.355 1.00 0.00 C ATOM 544 O THR A 34 -7.894 4.658 -18.451 1.00 0.00 O ATOM 545 CB THR A 34 -7.825 7.345 -20.497 1.00 0.00 C ATOM 546 OG1 THR A 34 -9.164 7.786 -20.746 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.883 7.967 -21.518 1.00 0.00 C ATOM 0 H THR A 34 -8.546 6.018 -22.485 1.00 0.00 H new ATOM 0 HA THR A 34 -6.713 5.496 -20.514 1.00 0.00 H new ATOM 0 HB THR A 34 -7.517 7.663 -19.501 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.199 8.765 -20.706 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.948 9.053 -21.459 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.860 7.653 -21.308 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.165 7.640 -22.519 1.00 0.00 H new ATOM 555 N VAL A 35 -9.821 5.390 -19.353 1.00 0.00 N ATOM 556 CA VAL A 35 -10.650 4.884 -18.265 1.00 0.00 C ATOM 557 C VAL A 35 -10.489 3.376 -18.107 1.00 0.00 C ATOM 558 O VAL A 35 -10.476 2.855 -16.991 1.00 0.00 O ATOM 559 CB VAL A 35 -12.138 5.210 -18.494 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.982 4.688 -17.341 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.333 6.708 -18.674 1.00 0.00 C ATOM 0 H VAL A 35 -10.339 5.864 -20.093 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.314 5.380 -17.354 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.466 4.712 -19.407 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.030 4.927 -17.520 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.865 3.607 -17.264 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.657 5.155 -16.411 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.390 6.921 -18.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.990 7.230 -17.781 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.759 7.049 -19.536 1.00 0.00 H new ATOM 571 N THR A 36 -10.367 2.678 -19.232 1.00 0.00 N ATOM 572 CA THR A 36 -10.208 1.230 -19.219 1.00 0.00 C ATOM 573 C THR A 36 -8.963 0.820 -18.441 1.00 0.00 C ATOM 574 O THR A 36 -9.020 -0.048 -17.569 1.00 0.00 O ATOM 575 CB THR A 36 -10.116 0.662 -20.648 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.175 1.191 -21.454 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.194 -0.857 -20.633 1.00 0.00 C ATOM 0 H THR A 36 -10.375 3.093 -20.164 1.00 0.00 H new ATOM 0 HA THR A 36 -11.091 0.820 -18.729 1.00 0.00 H new ATOM 0 HB THR A 36 -9.156 0.956 -21.071 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.026 1.102 -20.976 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.127 -1.235 -21.653 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.370 -1.258 -20.043 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.141 -1.168 -20.192 1.00 0.00 H new ATOM 585 N LEU A 37 -7.838 1.450 -18.760 1.00 0.00 N ATOM 586 CA LEU A 37 -6.577 1.152 -18.090 1.00 0.00 C ATOM 587 C LEU A 37 -6.660 1.477 -16.602 1.00 0.00 C ATOM 588 O LEU A 37 -6.263 0.676 -15.756 1.00 0.00 O ATOM 589 CB LEU A 37 -5.435 1.941 -18.733 1.00 0.00 C ATOM 590 CG LEU A 37 -5.301 1.811 -20.251 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.433 2.929 -20.807 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.727 0.452 -20.622 1.00 0.00 C ATOM 0 H LEU A 37 -7.773 2.171 -19.479 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.380 0.086 -18.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.566 2.995 -18.489 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.498 1.622 -18.277 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.294 1.895 -20.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.349 2.821 -21.888 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.886 3.892 -20.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.441 2.877 -20.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.639 0.378 -21.706 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.742 0.337 -20.169 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.388 -0.334 -20.257 1.00 0.00 H new ATOM 604 N LYS A 38 -7.182 2.659 -16.289 1.00 0.00 N ATOM 605 CA LYS A 38 -7.322 3.091 -14.903 1.00 0.00 C ATOM 606 C LYS A 38 -8.075 2.049 -14.082 1.00 0.00 C ATOM 607 O LYS A 38 -7.616 1.630 -13.019 1.00 0.00 O ATOM 608 CB LYS A 38 -8.054 4.433 -14.838 1.00 0.00 C ATOM 609 CG LYS A 38 -7.260 5.587 -15.426 1.00 0.00 C ATOM 610 CD LYS A 38 -5.974 5.830 -14.654 1.00 0.00 C ATOM 611 CE LYS A 38 -6.252 6.171 -13.199 1.00 0.00 C ATOM 612 NZ LYS A 38 -7.149 7.352 -13.068 1.00 0.00 N ATOM 0 H LYS A 38 -7.515 3.335 -16.977 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.323 3.207 -14.482 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.002 4.347 -15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.291 4.658 -13.798 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.025 5.374 -16.469 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.868 6.491 -15.415 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.344 4.942 -14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.418 6.644 -15.119 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.707 5.312 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.311 6.371 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.153 7.677 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.807 8.118 -13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.115 7.087 -13.349 1.00 0.00 H new ATOM 626 N LYS A 39 -9.234 1.633 -14.582 1.00 0.00 N ATOM 627 CA LYS A 39 -10.050 0.638 -13.897 1.00 0.00 C ATOM 628 C LYS A 39 -9.320 -0.698 -13.809 1.00 0.00 C ATOM 629 O LYS A 39 -9.412 -1.403 -12.803 1.00 0.00 O ATOM 630 CB LYS A 39 -11.385 0.455 -14.623 1.00 0.00 C ATOM 631 CG LYS A 39 -12.439 1.473 -14.225 1.00 0.00 C ATOM 632 CD LYS A 39 -13.195 1.036 -12.982 1.00 0.00 C ATOM 633 CE LYS A 39 -14.445 1.875 -12.766 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.687 1.100 -13.038 1.00 0.00 N ATOM 0 H LYS A 39 -9.629 1.970 -15.460 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.240 0.995 -12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.216 0.521 -15.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.765 -0.546 -14.421 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.964 2.437 -14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.140 1.613 -15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.472 -0.014 -13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.545 1.119 -12.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.463 2.242 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.413 2.749 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.517 1.707 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.682 0.771 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.731 0.280 -12.400 1.00 0.00 H new ATOM 648 N LEU A 40 -8.593 -1.040 -14.867 1.00 0.00 N ATOM 649 CA LEU A 40 -7.844 -2.292 -14.909 1.00 0.00 C ATOM 650 C LEU A 40 -6.879 -2.389 -13.732 1.00 0.00 C ATOM 651 O LEU A 40 -6.923 -3.343 -12.957 1.00 0.00 O ATOM 652 CB LEU A 40 -7.074 -2.405 -16.226 1.00 0.00 C ATOM 653 CG LEU A 40 -7.665 -3.354 -17.269 1.00 0.00 C ATOM 654 CD1 LEU A 40 -9.161 -3.125 -17.413 1.00 0.00 C ATOM 655 CD2 LEU A 40 -6.964 -3.177 -18.608 1.00 0.00 C ATOM 0 H LEU A 40 -8.506 -0.468 -15.707 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.556 -3.115 -14.840 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.001 -1.411 -16.668 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.058 -2.730 -16.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.507 -4.378 -16.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.564 -3.809 -18.160 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.650 -3.304 -16.456 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.343 -2.097 -17.727 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.397 -3.860 -19.339 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.090 -2.150 -18.952 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.902 -3.394 -18.494 1.00 0.00 H new ATOM 667 N ALA A 41 -6.009 -1.392 -13.604 1.00 0.00 N ATOM 668 CA ALA A 41 -5.035 -1.363 -12.519 1.00 0.00 C ATOM 669 C ALA A 41 -5.723 -1.193 -11.169 1.00 0.00 C ATOM 670 O ALA A 41 -5.264 -1.723 -10.158 1.00 0.00 O ATOM 671 CB ALA A 41 -4.027 -0.246 -12.745 1.00 0.00 C ATOM 0 H ALA A 41 -5.959 -0.594 -14.238 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.508 -2.317 -12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.306 -0.236 -11.928 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.505 -0.412 -13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.547 0.711 -12.782 1.00 0.00 H new ATOM 677 N GLU A 42 -6.825 -0.449 -11.161 1.00 0.00 N ATOM 678 CA GLU A 42 -7.574 -0.208 -9.933 1.00 0.00 C ATOM 679 C GLU A 42 -8.071 -1.520 -9.333 1.00 0.00 C ATOM 680 O GLU A 42 -7.924 -1.762 -8.135 1.00 0.00 O ATOM 681 CB GLU A 42 -8.758 0.722 -10.206 1.00 0.00 C ATOM 682 CG GLU A 42 -8.423 2.196 -10.049 1.00 0.00 C ATOM 683 CD GLU A 42 -9.630 3.092 -10.243 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.667 2.595 -10.729 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.537 4.292 -9.909 1.00 0.00 O ATOM 0 H GLU A 42 -7.218 -0.003 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.905 0.269 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.121 0.546 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.572 0.469 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.005 2.366 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.653 2.469 -10.771 1.00 0.00 H new ATOM 692 N SER A 43 -8.661 -2.363 -10.175 1.00 0.00 N ATOM 693 CA SER A 43 -9.184 -3.648 -9.728 1.00 0.00 C ATOM 694 C SER A 43 -8.048 -4.614 -9.401 1.00 0.00 C ATOM 695 O SER A 43 -8.025 -5.224 -8.332 1.00 0.00 O ATOM 696 CB SER A 43 -10.091 -4.254 -10.801 1.00 0.00 C ATOM 697 OG SER A 43 -10.290 -5.640 -10.577 1.00 0.00 O ATOM 0 H SER A 43 -8.788 -2.179 -11.170 1.00 0.00 H new ATOM 0 HA SER A 43 -9.766 -3.480 -8.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.053 -3.741 -10.801 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.648 -4.101 -11.785 1.00 0.00 H new ATOM 0 HG SER A 43 -10.273 -6.116 -11.434 1.00 0.00 H new ATOM 703 N LEU A 44 -7.108 -4.746 -10.330 1.00 0.00 N ATOM 704 CA LEU A 44 -5.968 -5.637 -10.143 1.00 0.00 C ATOM 705 C LEU A 44 -6.428 -7.029 -9.721 1.00 0.00 C ATOM 706 O LEU A 44 -5.800 -7.672 -8.879 1.00 0.00 O ATOM 707 CB LEU A 44 -5.014 -5.062 -9.094 1.00 0.00 C ATOM 708 CG LEU A 44 -3.530 -5.066 -9.463 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.305 -4.337 -10.779 1.00 0.00 C ATOM 710 CD2 LEU A 44 -2.703 -4.435 -8.353 1.00 0.00 C ATOM 0 H LEU A 44 -7.112 -4.248 -11.220 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.444 -5.722 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.313 -4.035 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.140 -5.626 -8.170 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.208 -6.100 -9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.243 -4.350 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.867 -4.833 -11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.643 -3.305 -10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.650 -4.446 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.026 -3.406 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.840 -5.000 -7.431 1.00 0.00 H new ATOM 722 N SER A 45 -7.526 -7.488 -10.312 1.00 0.00 N ATOM 723 CA SER A 45 -8.071 -8.803 -9.996 1.00 0.00 C ATOM 724 C SER A 45 -8.300 -9.616 -11.267 1.00 0.00 C ATOM 725 O SER A 45 -8.744 -9.085 -12.285 1.00 0.00 O ATOM 726 CB SER A 45 -9.383 -8.662 -9.223 1.00 0.00 C ATOM 727 OG SER A 45 -9.338 -9.384 -8.004 1.00 0.00 O ATOM 0 H SER A 45 -8.056 -6.969 -11.012 1.00 0.00 H new ATOM 0 HA SER A 45 -7.347 -9.330 -9.375 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.577 -7.609 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.209 -9.025 -9.834 1.00 0.00 H new ATOM 0 HG SER A 45 -10.188 -9.276 -7.528 1.00 0.00 H new ATOM 733 N SER A 46 -7.994 -10.908 -11.199 1.00 0.00 N ATOM 734 CA SER A 46 -8.163 -11.795 -12.344 1.00 0.00 C ATOM 735 C SER A 46 -9.636 -11.929 -12.715 1.00 0.00 C ATOM 736 O SER A 46 -9.978 -12.146 -13.877 1.00 0.00 O ATOM 737 CB SER A 46 -7.574 -13.173 -12.039 1.00 0.00 C ATOM 738 OG SER A 46 -6.969 -13.198 -10.758 1.00 0.00 O ATOM 0 H SER A 46 -7.628 -11.364 -10.363 1.00 0.00 H new ATOM 0 HA SER A 46 -7.632 -11.360 -13.191 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.360 -13.927 -12.088 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.836 -13.432 -12.798 1.00 0.00 H new ATOM 0 HG SER A 46 -7.412 -13.871 -10.200 1.00 0.00 H new ATOM 744 N ASP A 47 -10.505 -11.799 -11.718 1.00 0.00 N ATOM 745 CA ASP A 47 -11.942 -11.904 -11.937 1.00 0.00 C ATOM 746 C ASP A 47 -12.367 -11.093 -13.157 1.00 0.00 C ATOM 747 O ASP A 47 -12.423 -9.863 -13.127 1.00 0.00 O ATOM 748 CB ASP A 47 -12.705 -11.427 -10.701 1.00 0.00 C ATOM 749 CG ASP A 47 -12.390 -12.254 -9.470 1.00 0.00 C ATOM 750 OD1 ASP A 47 -11.914 -13.398 -9.630 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.618 -11.758 -8.348 1.00 0.00 O ATOM 0 H ASP A 47 -10.238 -11.621 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.180 -12.952 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.459 -10.383 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.776 -11.470 -10.900 1.00 0.00 H new ATOM 756 N PRO A 48 -12.673 -11.795 -14.258 1.00 0.00 N ATOM 757 CA PRO A 48 -13.097 -11.160 -15.510 1.00 0.00 C ATOM 758 C PRO A 48 -14.485 -10.538 -15.403 1.00 0.00 C ATOM 759 O PRO A 48 -14.932 -9.837 -16.310 1.00 0.00 O ATOM 760 CB PRO A 48 -13.106 -12.319 -16.510 1.00 0.00 C ATOM 761 CG PRO A 48 -13.313 -13.537 -15.677 1.00 0.00 C ATOM 762 CD PRO A 48 -12.628 -13.263 -14.367 1.00 0.00 C ATOM 0 HA PRO A 48 -12.439 -10.339 -15.794 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.903 -12.202 -17.245 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.168 -12.372 -17.063 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.375 -13.733 -15.529 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.891 -14.418 -16.161 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.144 -13.744 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.603 -13.635 -14.364 1.00 0.00 H new ATOM 770 N GLU A 49 -15.160 -10.797 -14.288 1.00 0.00 N ATOM 771 CA GLU A 49 -16.498 -10.262 -14.063 1.00 0.00 C ATOM 772 C GLU A 49 -16.457 -8.745 -13.907 1.00 0.00 C ATOM 773 O GLU A 49 -17.231 -8.023 -14.536 1.00 0.00 O ATOM 774 CB GLU A 49 -17.124 -10.897 -12.820 1.00 0.00 C ATOM 775 CG GLU A 49 -17.314 -12.401 -12.935 1.00 0.00 C ATOM 776 CD GLU A 49 -17.967 -13.002 -11.706 1.00 0.00 C ATOM 777 OE1 GLU A 49 -17.357 -12.938 -10.618 1.00 0.00 O ATOM 778 OE2 GLU A 49 -19.088 -13.537 -11.832 1.00 0.00 O ATOM 0 H GLU A 49 -14.803 -11.374 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.109 -10.505 -14.932 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.494 -10.684 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.091 -10.430 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.925 -12.620 -13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.345 -12.875 -13.096 1.00 0.00 H new ATOM 785 N VAL A 50 -15.549 -8.267 -13.062 1.00 0.00 N ATOM 786 CA VAL A 50 -15.406 -6.836 -12.822 1.00 0.00 C ATOM 787 C VAL A 50 -14.890 -6.119 -14.064 1.00 0.00 C ATOM 788 O VAL A 50 -15.239 -4.966 -14.319 1.00 0.00 O ATOM 789 CB VAL A 50 -14.450 -6.557 -11.647 1.00 0.00 C ATOM 790 CG1 VAL A 50 -14.923 -7.273 -10.391 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.031 -6.973 -12.005 1.00 0.00 C ATOM 0 H VAL A 50 -14.901 -8.850 -12.532 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.397 -6.456 -12.573 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.451 -5.485 -11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.235 -7.064 -9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.920 -6.922 -10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.953 -8.347 -10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.369 -6.769 -11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.011 -8.039 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.695 -6.410 -12.876 1.00 0.00 H new ATOM 801 N LEU A 51 -14.057 -6.809 -14.835 1.00 0.00 N ATOM 802 CA LEU A 51 -13.492 -6.239 -16.054 1.00 0.00 C ATOM 803 C LEU A 51 -14.575 -6.020 -17.105 1.00 0.00 C ATOM 804 O LEU A 51 -14.563 -5.021 -17.826 1.00 0.00 O ATOM 805 CB LEU A 51 -12.402 -7.156 -16.611 1.00 0.00 C ATOM 806 CG LEU A 51 -11.418 -7.727 -15.589 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.468 -8.710 -16.255 1.00 0.00 C ATOM 808 CD2 LEU A 51 -10.642 -6.607 -14.913 1.00 0.00 C ATOM 0 H LEU A 51 -13.758 -7.764 -14.638 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.053 -5.273 -15.805 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.883 -7.987 -17.126 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.836 -6.601 -17.360 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.985 -8.261 -14.826 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.775 -9.106 -15.513 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.039 -9.529 -16.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.908 -8.200 -17.039 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.947 -7.032 -14.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.086 -6.045 -15.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.336 -5.941 -14.401 1.00 0.00 H new ATOM 820 N LEU A 52 -15.512 -6.958 -17.186 1.00 0.00 N ATOM 821 CA LEU A 52 -16.605 -6.867 -18.148 1.00 0.00 C ATOM 822 C LEU A 52 -17.420 -5.597 -17.928 1.00 0.00 C ATOM 823 O LEU A 52 -18.068 -5.097 -18.847 1.00 0.00 O ATOM 824 CB LEU A 52 -17.512 -8.094 -18.038 1.00 0.00 C ATOM 825 CG LEU A 52 -17.946 -8.729 -19.359 1.00 0.00 C ATOM 826 CD1 LEU A 52 -18.696 -7.720 -20.216 1.00 0.00 C ATOM 827 CD2 LEU A 52 -16.740 -9.277 -20.109 1.00 0.00 C ATOM 0 H LEU A 52 -15.537 -7.790 -16.597 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.173 -6.831 -19.148 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -16.996 -8.850 -17.447 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.406 -7.811 -17.483 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.619 -9.558 -19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.997 -8.190 -21.152 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -19.582 -7.376 -19.682 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.048 -6.870 -20.429 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.068 -9.725 -21.047 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.043 -8.466 -20.319 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.245 -10.033 -19.499 1.00 0.00 H new ATOM 839 N GLN A 53 -17.381 -5.079 -16.704 1.00 0.00 N ATOM 840 CA GLN A 53 -18.115 -3.866 -16.364 1.00 0.00 C ATOM 841 C GLN A 53 -17.340 -2.623 -16.792 1.00 0.00 C ATOM 842 O GLN A 53 -17.919 -1.552 -16.974 1.00 0.00 O ATOM 843 CB GLN A 53 -18.392 -3.817 -14.861 1.00 0.00 C ATOM 844 CG GLN A 53 -19.552 -4.698 -14.427 1.00 0.00 C ATOM 845 CD GLN A 53 -19.802 -4.641 -12.933 1.00 0.00 C ATOM 846 OE1 GLN A 53 -20.917 -4.369 -12.488 1.00 0.00 O ATOM 847 NE2 GLN A 53 -18.761 -4.898 -12.149 1.00 0.00 N ATOM 0 H GLN A 53 -16.849 -5.481 -15.932 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.064 -3.883 -16.900 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.494 -4.123 -14.324 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -18.601 -2.787 -14.572 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.455 -4.389 -14.954 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.349 -5.729 -14.718 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -17.854 -5.119 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -18.868 -4.874 -11.135 1.00 0.00 H new ATOM 856 N ILE A 54 -16.029 -2.774 -16.948 1.00 0.00 N ATOM 857 CA ILE A 54 -15.176 -1.664 -17.355 1.00 0.00 C ATOM 858 C ILE A 54 -15.384 -1.322 -18.826 1.00 0.00 C ATOM 859 O ILE A 54 -15.184 -2.162 -19.704 1.00 0.00 O ATOM 860 CB ILE A 54 -13.688 -1.982 -17.118 1.00 0.00 C ATOM 861 CG1 ILE A 54 -13.477 -2.509 -15.697 1.00 0.00 C ATOM 862 CG2 ILE A 54 -12.837 -0.745 -17.362 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.047 -2.912 -15.409 1.00 0.00 C ATOM 0 H ILE A 54 -15.535 -3.654 -16.799 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.458 -0.808 -16.742 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.380 -2.755 -17.822 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.780 -1.742 -14.985 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.128 -3.369 -15.536 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.788 -0.986 -17.190 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.969 -0.410 -18.391 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.144 0.048 -16.680 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.971 -3.276 -14.384 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.746 -3.701 -16.098 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.393 -2.049 -15.537 1.00 0.00 H new ATOM 875 N ASP A 55 -15.783 -0.082 -19.089 1.00 0.00 N ATOM 876 CA ASP A 55 -16.015 0.373 -20.454 1.00 0.00 C ATOM 877 C ASP A 55 -14.805 0.083 -21.337 1.00 0.00 C ATOM 878 O ASP A 55 -13.705 0.570 -21.079 1.00 0.00 O ATOM 879 CB ASP A 55 -16.325 1.871 -20.469 1.00 0.00 C ATOM 880 CG ASP A 55 -15.307 2.681 -19.692 1.00 0.00 C ATOM 881 OD1 ASP A 55 -15.321 2.611 -18.445 1.00 0.00 O ATOM 882 OD2 ASP A 55 -14.496 3.385 -20.330 1.00 0.00 O ATOM 0 H ASP A 55 -15.952 0.626 -18.374 1.00 0.00 H new ATOM 0 HA ASP A 55 -16.871 -0.172 -20.852 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.354 2.223 -21.500 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.316 2.038 -20.047 1.00 0.00 H new ATOM 887 N GLY A 56 -15.016 -0.716 -22.378 1.00 0.00 N ATOM 888 CA GLY A 56 -13.934 -1.059 -23.282 1.00 0.00 C ATOM 889 C GLY A 56 -13.354 -2.430 -22.999 1.00 0.00 C ATOM 890 O GLY A 56 -12.136 -2.602 -22.961 1.00 0.00 O ATOM 0 H GLY A 56 -15.917 -1.132 -22.612 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.299 -1.027 -24.309 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.146 -0.311 -23.200 1.00 0.00 H new ATOM 894 N VAL A 57 -14.229 -3.411 -22.798 1.00 0.00 N ATOM 895 CA VAL A 57 -13.797 -4.774 -22.515 1.00 0.00 C ATOM 896 C VAL A 57 -14.755 -5.791 -23.126 1.00 0.00 C ATOM 897 O VAL A 57 -15.798 -6.103 -22.550 1.00 0.00 O ATOM 898 CB VAL A 57 -13.694 -5.028 -21.000 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.210 -6.444 -20.727 1.00 0.00 C ATOM 900 CG2 VAL A 57 -12.773 -4.007 -20.350 1.00 0.00 C ATOM 0 H VAL A 57 -15.241 -3.287 -22.826 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.810 -4.893 -22.963 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.687 -4.918 -20.563 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.144 -6.605 -19.651 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.912 -7.158 -21.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.227 -6.586 -21.176 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.712 -4.202 -19.279 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.778 -4.082 -20.790 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.168 -3.004 -20.515 1.00 0.00 H new ATOM 910 N THR A 58 -14.394 -6.308 -24.296 1.00 0.00 N ATOM 911 CA THR A 58 -15.221 -7.290 -24.986 1.00 0.00 C ATOM 912 C THR A 58 -14.652 -8.696 -24.828 1.00 0.00 C ATOM 913 O THR A 58 -13.498 -8.868 -24.440 1.00 0.00 O ATOM 914 CB THR A 58 -15.346 -6.965 -26.486 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.331 -5.546 -26.683 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.628 -7.548 -27.062 1.00 0.00 C ATOM 0 H THR A 58 -13.534 -6.063 -24.786 1.00 0.00 H new ATOM 0 HA THR A 58 -16.210 -7.247 -24.529 1.00 0.00 H new ATOM 0 HB THR A 58 -14.498 -7.413 -27.004 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.409 -5.348 -27.640 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.694 -7.305 -28.123 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.623 -8.631 -26.937 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.486 -7.126 -26.539 1.00 0.00 H new ATOM 924 N GLU A 59 -15.471 -9.698 -25.133 1.00 0.00 N ATOM 925 CA GLU A 59 -15.048 -11.089 -25.024 1.00 0.00 C ATOM 926 C GLU A 59 -13.786 -11.340 -25.846 1.00 0.00 C ATOM 927 O GLU A 59 -12.852 -11.995 -25.384 1.00 0.00 O ATOM 928 CB GLU A 59 -16.167 -12.024 -25.489 1.00 0.00 C ATOM 929 CG GLU A 59 -15.849 -13.497 -25.295 1.00 0.00 C ATOM 930 CD GLU A 59 -16.995 -14.400 -25.708 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.644 -14.105 -26.733 1.00 0.00 O ATOM 932 OE2 GLU A 59 -17.243 -15.402 -25.005 1.00 0.00 O ATOM 0 H GLU A 59 -16.430 -9.572 -25.457 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.826 -11.293 -23.977 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.080 -11.783 -24.944 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.368 -11.840 -26.544 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.962 -13.753 -25.875 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.608 -13.678 -24.248 1.00 0.00 H new ATOM 939 N ASP A 60 -13.768 -10.814 -27.065 1.00 0.00 N ATOM 940 CA ASP A 60 -12.622 -10.980 -27.952 1.00 0.00 C ATOM 941 C ASP A 60 -11.406 -10.232 -27.414 1.00 0.00 C ATOM 942 O ASP A 60 -10.292 -10.757 -27.410 1.00 0.00 O ATOM 943 CB ASP A 60 -12.961 -10.481 -29.358 1.00 0.00 C ATOM 944 CG ASP A 60 -14.231 -11.105 -29.902 1.00 0.00 C ATOM 945 OD1 ASP A 60 -14.466 -12.302 -29.635 1.00 0.00 O ATOM 946 OD2 ASP A 60 -14.990 -10.396 -30.596 1.00 0.00 O ATOM 0 H ASP A 60 -14.533 -10.269 -27.462 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.382 -12.042 -28.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.071 -9.397 -29.339 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.132 -10.705 -30.030 1.00 0.00 H new ATOM 951 N LYS A 61 -11.626 -9.003 -26.960 1.00 0.00 N ATOM 952 CA LYS A 61 -10.550 -8.182 -26.419 1.00 0.00 C ATOM 953 C LYS A 61 -9.921 -8.845 -25.198 1.00 0.00 C ATOM 954 O LYS A 61 -8.701 -8.992 -25.118 1.00 0.00 O ATOM 955 CB LYS A 61 -11.077 -6.795 -26.045 1.00 0.00 C ATOM 956 CG LYS A 61 -11.483 -5.954 -27.243 1.00 0.00 C ATOM 957 CD LYS A 61 -11.598 -4.484 -26.880 1.00 0.00 C ATOM 958 CE LYS A 61 -12.057 -3.650 -28.066 1.00 0.00 C ATOM 959 NZ LYS A 61 -12.394 -2.256 -27.668 1.00 0.00 N ATOM 0 H LYS A 61 -12.541 -8.553 -26.956 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.785 -8.077 -27.188 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.936 -6.908 -25.384 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.309 -6.264 -25.482 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.749 -6.076 -28.040 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.438 -6.309 -27.631 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.302 -4.366 -26.057 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.633 -4.119 -26.529 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.272 -3.632 -28.822 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.929 -4.118 -28.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.702 -1.721 -28.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.160 -2.271 -26.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.555 -1.800 -27.255 1.00 0.00 H new ATOM 973 N LEU A 62 -10.761 -9.245 -24.250 1.00 0.00 N ATOM 974 CA LEU A 62 -10.287 -9.895 -23.032 1.00 0.00 C ATOM 975 C LEU A 62 -9.721 -11.278 -23.338 1.00 0.00 C ATOM 976 O LEU A 62 -8.868 -11.784 -22.610 1.00 0.00 O ATOM 977 CB LEU A 62 -11.425 -10.010 -22.017 1.00 0.00 C ATOM 978 CG LEU A 62 -12.599 -10.903 -22.421 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.296 -12.359 -22.103 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.874 -10.456 -21.723 1.00 0.00 C ATOM 0 H LEU A 62 -11.773 -9.131 -24.301 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.491 -9.283 -22.608 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.013 -10.387 -21.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.808 -9.009 -21.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.747 -10.811 -23.497 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.142 -12.979 -22.397 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.408 -12.674 -22.651 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -12.120 -12.469 -21.033 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.699 -11.103 -22.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.738 -10.517 -20.643 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.100 -9.427 -22.002 1.00 0.00 H new ATOM 992 N GLU A 63 -10.201 -11.882 -24.421 1.00 0.00 N ATOM 993 CA GLU A 63 -9.741 -13.206 -24.823 1.00 0.00 C ATOM 994 C GLU A 63 -8.341 -13.136 -25.426 1.00 0.00 C ATOM 995 O GLU A 63 -7.542 -14.061 -25.279 1.00 0.00 O ATOM 996 CB GLU A 63 -10.712 -13.822 -25.832 1.00 0.00 C ATOM 997 CG GLU A 63 -10.200 -15.106 -26.463 1.00 0.00 C ATOM 998 CD GLU A 63 -9.849 -16.163 -25.434 1.00 0.00 C ATOM 999 OE1 GLU A 63 -10.613 -16.319 -24.459 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -8.810 -16.834 -25.604 1.00 0.00 O ATOM 0 H GLU A 63 -10.907 -11.476 -25.035 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.704 -13.835 -23.934 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.660 -14.025 -25.334 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.914 -13.096 -26.619 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.958 -15.501 -27.140 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.319 -14.884 -27.065 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.050 -12.031 -26.105 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.747 -11.838 -26.730 1.00 0.00 C ATOM 1009 C LYS A 64 -5.767 -11.191 -25.757 1.00 0.00 C ATOM 1010 O LYS A 64 -4.661 -11.691 -25.550 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.884 -10.971 -27.984 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.761 -11.590 -29.058 1.00 0.00 C ATOM 1013 CD LYS A 64 -7.105 -12.810 -29.680 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.139 -13.828 -30.137 1.00 0.00 C ATOM 1015 NZ LYS A 64 -7.758 -14.465 -31.428 1.00 0.00 N ATOM 0 H LYS A 64 -8.699 -11.256 -26.236 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.359 -12.817 -27.012 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.297 -10.003 -27.703 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.893 -10.786 -28.398 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.721 -11.873 -28.626 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.965 -10.851 -29.833 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.495 -12.503 -30.530 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.434 -13.272 -28.956 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.254 -14.597 -29.373 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.107 -13.339 -30.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.488 -15.152 -31.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.673 -13.735 -32.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.847 -14.954 -31.318 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.180 -10.078 -25.161 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.338 -9.363 -24.209 1.00 0.00 C ATOM 1031 C TYR A 65 -5.696 -9.739 -22.775 1.00 0.00 C ATOM 1032 O TYR A 65 -4.830 -10.114 -21.985 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.483 -7.852 -24.403 1.00 0.00 C ATOM 1034 CG TYR A 65 -5.995 -7.464 -25.772 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.293 -7.804 -26.921 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.183 -6.757 -25.915 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -5.758 -7.451 -28.173 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -7.656 -6.401 -27.163 1.00 0.00 C ATOM 1039 CZ TYR A 65 -6.940 -6.749 -28.289 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.407 -6.397 -29.534 1.00 0.00 O ATOM 0 H TYR A 65 -7.093 -9.651 -25.320 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.302 -9.649 -24.392 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.162 -7.460 -23.646 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.515 -7.378 -24.239 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.368 -8.354 -26.834 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.746 -6.481 -25.035 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.199 -7.723 -29.056 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.582 -5.853 -27.256 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.251 -5.908 -29.441 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.980 -9.636 -22.445 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.431 -9.969 -21.107 1.00 0.00 C ATOM 1052 C GLY A 66 -6.775 -11.225 -20.569 1.00 0.00 C ATOM 1053 O GLY A 66 -6.512 -11.332 -19.372 1.00 0.00 O ATOM 0 H GLY A 66 -7.716 -9.328 -23.081 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.217 -9.136 -20.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.513 -10.103 -21.114 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.511 -12.179 -21.456 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.881 -13.434 -21.064 1.00 0.00 C ATOM 1059 C ALA A 67 -4.621 -13.182 -20.243 1.00 0.00 C ATOM 1060 O ALA A 67 -4.494 -13.669 -19.120 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.554 -14.267 -22.295 1.00 0.00 C ATOM 0 H ALA A 67 -6.724 -12.107 -22.451 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.584 -13.987 -20.441 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.084 -15.201 -21.988 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.472 -14.485 -22.841 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.872 -13.712 -22.939 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.692 -12.419 -20.811 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.441 -12.106 -20.130 1.00 0.00 C ATOM 1069 C GLU A 68 -2.705 -11.370 -18.820 1.00 0.00 C ATOM 1070 O GLU A 68 -2.005 -11.575 -17.828 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.543 -11.257 -21.033 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.425 -11.792 -22.450 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.147 -13.282 -22.490 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.127 -13.712 -21.912 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.951 -14.018 -23.099 1.00 0.00 O ATOM 0 H GLU A 68 -3.782 -12.007 -21.740 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.934 -13.044 -19.904 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.935 -10.241 -21.069 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.548 -11.200 -20.591 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.348 -11.584 -22.991 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.625 -11.263 -22.969 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.720 -10.512 -18.823 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.077 -9.745 -17.636 1.00 0.00 C ATOM 1084 C VAL A 69 -4.510 -10.664 -16.498 1.00 0.00 C ATOM 1085 O VAL A 69 -4.034 -10.538 -15.370 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.211 -8.745 -17.933 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.455 -7.843 -16.733 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.885 -7.924 -19.171 1.00 0.00 C ATOM 0 H VAL A 69 -4.310 -10.331 -19.635 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.186 -9.194 -17.336 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.126 -9.305 -18.127 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.259 -7.143 -16.961 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.736 -8.450 -15.872 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.545 -7.288 -16.504 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.696 -7.223 -19.367 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.959 -7.372 -19.008 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.765 -8.588 -20.027 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.415 -11.587 -16.803 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.911 -12.529 -15.807 1.00 0.00 C ATOM 1100 C ILE A 70 -4.787 -13.414 -15.280 1.00 0.00 C ATOM 1101 O ILE A 70 -4.685 -13.656 -14.078 1.00 0.00 O ATOM 1102 CB ILE A 70 -7.026 -13.421 -16.382 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.214 -12.567 -16.830 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.467 -14.449 -15.350 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.390 -13.379 -17.324 1.00 0.00 C ATOM 0 H ILE A 70 -5.820 -11.703 -17.732 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.318 -11.937 -14.987 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.635 -13.950 -17.251 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.538 -11.944 -15.996 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.889 -11.894 -17.623 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.256 -15.072 -15.771 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.618 -15.075 -15.074 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.843 -13.937 -14.464 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.195 -12.708 -17.625 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.082 -13.982 -18.178 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.742 -14.033 -16.526 1.00 0.00 H new ATOM 1117 N SER A 71 -3.944 -13.894 -16.189 1.00 0.00 N ATOM 1118 CA SER A 71 -2.828 -14.755 -15.817 1.00 0.00 C ATOM 1119 C SER A 71 -1.896 -14.045 -14.840 1.00 0.00 C ATOM 1120 O SER A 71 -1.494 -14.611 -13.823 1.00 0.00 O ATOM 1121 CB SER A 71 -2.049 -15.183 -17.062 1.00 0.00 C ATOM 1122 OG SER A 71 -2.913 -15.739 -18.038 1.00 0.00 O ATOM 0 H SER A 71 -4.013 -13.701 -17.188 1.00 0.00 H new ATOM 0 HA SER A 71 -3.233 -15.641 -15.328 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.527 -14.323 -17.482 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.289 -15.914 -16.786 1.00 0.00 H new ATOM 0 HG SER A 71 -3.402 -15.020 -18.490 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.556 -12.799 -15.155 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.673 -12.009 -14.306 1.00 0.00 C ATOM 1130 C VAL A 72 -1.313 -11.737 -12.949 1.00 0.00 C ATOM 1131 O VAL A 72 -0.695 -11.949 -11.905 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.311 -10.666 -14.968 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.576 -9.839 -14.050 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.368 -10.900 -16.309 1.00 0.00 C ATOM 0 H VAL A 72 -1.879 -12.315 -15.993 1.00 0.00 H new ATOM 0 HA VAL A 72 0.236 -12.594 -14.165 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.231 -10.108 -15.144 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.821 -8.894 -14.535 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.050 -9.642 -13.116 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.494 -10.388 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.617 -9.941 -16.763 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.280 -11.478 -16.159 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.306 -11.449 -16.967 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.556 -11.268 -12.971 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.282 -10.968 -11.742 1.00 0.00 C ATOM 1146 C LEU A 73 -3.455 -12.223 -10.892 1.00 0.00 C ATOM 1147 O LEU A 73 -3.531 -12.147 -9.666 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.650 -10.366 -12.068 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.635 -9.002 -12.759 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -6.034 -8.620 -13.215 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.066 -7.940 -11.831 1.00 0.00 C ATOM 0 H LEU A 73 -3.082 -11.087 -13.826 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.700 -10.243 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.191 -11.067 -12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.215 -10.275 -11.140 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.994 -9.068 -13.638 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.004 -7.647 -13.705 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.405 -9.368 -13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.698 -8.572 -12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.063 -6.976 -12.340 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.680 -7.875 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.046 -8.207 -11.554 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.515 -13.375 -11.552 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.678 -14.646 -10.856 1.00 0.00 C ATOM 1165 C GLN A 74 -2.399 -15.032 -10.122 1.00 0.00 C ATOM 1166 O GLN A 74 -2.412 -15.276 -8.915 1.00 0.00 O ATOM 1167 CB GLN A 74 -4.066 -15.747 -11.845 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.530 -16.148 -11.765 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.958 -16.517 -10.358 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -5.131 -16.875 -9.519 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -7.256 -16.431 -10.093 1.00 0.00 N ATOM 0 H GLN A 74 -3.453 -13.454 -12.567 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.475 -14.530 -10.122 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.845 -15.409 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.447 -16.625 -11.660 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.148 -15.326 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.708 -16.994 -12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.906 -16.130 -10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.603 -16.666 -9.163 1.00 0.00 H new ATOM 1180 N LYS A 75 -1.294 -15.087 -10.858 1.00 0.00 N ATOM 1181 CA LYS A 75 -0.004 -15.443 -10.278 1.00 0.00 C ATOM 1182 C LYS A 75 0.375 -14.478 -9.159 1.00 0.00 C ATOM 1183 O LYS A 75 0.966 -14.877 -8.156 1.00 0.00 O ATOM 1184 CB LYS A 75 1.081 -15.442 -11.356 1.00 0.00 C ATOM 1185 CG LYS A 75 1.226 -14.110 -12.072 1.00 0.00 C ATOM 1186 CD LYS A 75 2.368 -14.137 -13.074 1.00 0.00 C ATOM 1187 CE LYS A 75 1.953 -14.807 -14.374 1.00 0.00 C ATOM 1188 NZ LYS A 75 3.084 -15.539 -15.007 1.00 0.00 N ATOM 0 H LYS A 75 -1.266 -14.889 -11.858 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.088 -16.445 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.035 -15.705 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.854 -16.216 -12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.295 -13.869 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.400 -13.320 -11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.699 -13.119 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.218 -14.668 -12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.135 -15.501 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.575 -14.054 -15.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.760 -15.982 -15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.855 -14.873 -15.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.428 -16.275 -14.357 1.00 0.00 H new ATOM 1202 N TYR A 76 0.029 -13.208 -9.338 1.00 0.00 N ATOM 1203 CA TYR A 76 0.334 -12.186 -8.344 1.00 0.00 C ATOM 1204 C TYR A 76 -0.633 -12.265 -7.167 1.00 0.00 C ATOM 1205 O TYR A 76 -0.298 -11.880 -6.047 1.00 0.00 O ATOM 1206 CB TYR A 76 0.271 -10.794 -8.977 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.550 -9.804 -8.182 1.00 0.00 C ATOM 1208 CD1 TYR A 76 0.029 -9.040 -7.177 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -1.906 -9.634 -8.436 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -0.718 -8.134 -6.448 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -2.660 -8.730 -7.714 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.061 -7.983 -6.721 1.00 0.00 C ATOM 1213 OH TYR A 76 -2.809 -7.082 -5.997 1.00 0.00 O ATOM 0 H TYR A 76 -0.463 -12.862 -10.162 1.00 0.00 H new ATOM 0 HA TYR A 76 1.344 -12.365 -7.974 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.284 -10.408 -9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.148 -10.879 -9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.081 -9.156 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.378 -10.219 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.253 -7.548 -5.669 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.712 -8.609 -7.925 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.736 -7.097 -6.315 1.00 0.00 H new ATOM 1223 N SER A 77 -1.835 -12.769 -7.429 1.00 0.00 N ATOM 1224 CA SER A 77 -2.853 -12.897 -6.393 1.00 0.00 C ATOM 1225 C SER A 77 -2.525 -14.048 -5.448 1.00 0.00 C ATOM 1226 O SER A 77 -2.619 -13.909 -4.229 1.00 0.00 O ATOM 1227 CB SER A 77 -4.229 -13.118 -7.025 1.00 0.00 C ATOM 1228 OG SER A 77 -4.855 -11.883 -7.329 1.00 0.00 O ATOM 0 H SER A 77 -2.127 -13.095 -8.350 1.00 0.00 H new ATOM 0 HA SER A 77 -2.869 -11.971 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.124 -13.710 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.858 -13.690 -6.343 1.00 0.00 H new ATOM 0 HG SER A 77 -4.590 -11.594 -8.227 1.00 0.00 H new