USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 98 THR OG1 : rot 120:sc= -2.84! USER MOD Set 1.2: A 100 HIS : no HE2:sc= -6.11! C(o=-8.9!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -167:sc= -0.0398 (180deg=-0.311) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.27 (180deg=-0.89) USER MOD Single : A 19 ASN : amide:sc= -1.7! C(o=-1.7!,f=-0.25!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00399 USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0.519 (180deg=0.28) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.22 K(o=-1.2,f=-4!) USER MOD Single : A 33 ASN : amide:sc= -8.67! C(o=-8.7!,f=-9.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -127:sc= -0.286 (180deg=-2.88!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -124:sc=-0.000342 (180deg=-0.148) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 163:sc= -3.55 (180deg=-4.32!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.344 K(o=-0.34,f=-3.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-1) USER MOD Single : A 71 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= -0.0105 (180deg=-0.52) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 15:sc= 0.543 USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= -0.0853 (180deg=-0.5) USER MOD Single : A 86 ASN : amide:sc= -2.91! X(o=-2.9!,f=-2.6) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.321 USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= -2.03! (180deg=-2.16!) USER MOD Single : A 96 ASN : amide:sc= -1.97! K(o=-2!,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 66.757 -3.481 -26.295 1.00 0.00 N ATOM 2 CA GLY A 1 66.543 -2.006 -26.320 1.00 0.00 C ATOM 3 C GLY A 1 65.653 -1.595 -25.151 1.00 0.00 C ATOM 4 O GLY A 1 65.711 -0.456 -24.687 1.00 0.00 O ATOM 0 H1 GLY A 1 67.528 -3.731 -26.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 67.008 -3.779 -25.331 1.00 0.00 H new ATOM 0 H3 GLY A 1 65.884 -3.963 -26.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 67.501 -1.489 -26.260 1.00 0.00 H new ATOM 0 HA3 GLY A 1 66.081 -1.712 -27.262 1.00 0.00 H new ATOM 10 N ALA A 2 64.826 -2.530 -24.680 1.00 0.00 N ATOM 11 CA ALA A 2 63.918 -2.261 -23.559 1.00 0.00 C ATOM 12 C ALA A 2 64.354 -3.047 -22.321 1.00 0.00 C ATOM 13 O ALA A 2 64.562 -4.256 -22.388 1.00 0.00 O ATOM 14 CB ALA A 2 62.482 -2.657 -23.958 1.00 0.00 C ATOM 0 H ALA A 2 64.765 -3.477 -25.054 1.00 0.00 H new ATOM 0 HA ALA A 2 63.949 -1.198 -23.321 1.00 0.00 H new ATOM 0 HB1 ALA A 2 61.805 -2.458 -23.127 1.00 0.00 H new ATOM 0 HB2 ALA A 2 62.172 -2.075 -24.826 1.00 0.00 H new ATOM 0 HB3 ALA A 2 62.452 -3.718 -24.204 1.00 0.00 H new ATOM 20 N MET A 3 64.479 -2.352 -21.195 1.00 0.00 N ATOM 21 CA MET A 3 64.880 -2.986 -19.940 1.00 0.00 C ATOM 22 C MET A 3 64.960 -1.923 -18.838 1.00 0.00 C ATOM 23 O MET A 3 65.565 -0.867 -19.026 1.00 0.00 O ATOM 24 CB MET A 3 66.252 -3.706 -20.118 1.00 0.00 C ATOM 25 CG MET A 3 66.104 -5.234 -19.963 1.00 0.00 C ATOM 26 SD MET A 3 67.726 -6.042 -20.178 1.00 0.00 S ATOM 27 CE MET A 3 67.722 -6.350 -21.973 1.00 0.00 C ATOM 0 H MET A 3 64.309 -1.349 -21.124 1.00 0.00 H new ATOM 0 HA MET A 3 64.140 -3.734 -19.655 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.662 -3.476 -21.101 1.00 0.00 H new ATOM 0 HB3 MET A 3 66.961 -3.330 -19.381 1.00 0.00 H new ATOM 0 HG2 MET A 3 65.698 -5.471 -18.980 1.00 0.00 H new ATOM 0 HG3 MET A 3 65.397 -5.616 -20.700 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.652 -6.841 -22.260 1.00 0.00 H new ATOM 0 HE2 MET A 3 66.879 -6.991 -22.230 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.633 -5.403 -22.505 1.00 0.00 H new ATOM 37 N GLY A 4 64.345 -2.206 -17.692 1.00 0.00 N ATOM 38 CA GLY A 4 64.361 -1.265 -16.577 1.00 0.00 C ATOM 39 C GLY A 4 63.431 -0.081 -16.833 1.00 0.00 C ATOM 40 O GLY A 4 63.779 1.065 -16.545 1.00 0.00 O ATOM 0 H GLY A 4 63.834 -3.071 -17.513 1.00 0.00 H new ATOM 0 HA2 GLY A 4 64.058 -1.776 -15.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 65.377 -0.904 -16.418 1.00 0.00 H new ATOM 44 N SER A 5 62.253 -0.360 -17.379 1.00 0.00 N ATOM 45 CA SER A 5 61.288 0.697 -17.670 1.00 0.00 C ATOM 46 C SER A 5 60.657 1.221 -16.378 1.00 0.00 C ATOM 47 O SER A 5 60.340 0.447 -15.474 1.00 0.00 O ATOM 48 CB SER A 5 60.197 0.159 -18.597 1.00 0.00 C ATOM 49 OG SER A 5 60.803 -0.559 -19.665 1.00 0.00 O ATOM 0 H SER A 5 61.944 -1.300 -17.628 1.00 0.00 H new ATOM 0 HA SER A 5 61.809 1.519 -18.160 1.00 0.00 H new ATOM 0 HB2 SER A 5 59.521 -0.492 -18.043 1.00 0.00 H new ATOM 0 HB3 SER A 5 59.598 0.981 -18.989 1.00 0.00 H new ATOM 0 HG SER A 5 60.108 -0.907 -20.261 1.00 0.00 H new ATOM 55 N CYS A 6 60.471 2.539 -16.301 1.00 0.00 N ATOM 56 CA CYS A 6 59.876 3.158 -15.113 1.00 0.00 C ATOM 57 C CYS A 6 58.350 3.151 -15.215 1.00 0.00 C ATOM 58 O CYS A 6 57.794 3.340 -16.297 1.00 0.00 O ATOM 59 CB CYS A 6 60.393 4.596 -14.967 1.00 0.00 C ATOM 60 SG CYS A 6 62.106 4.668 -15.543 1.00 0.00 S ATOM 0 H CYS A 6 60.721 3.196 -17.040 1.00 0.00 H new ATOM 0 HA CYS A 6 60.163 2.584 -14.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 59.772 5.280 -15.546 1.00 0.00 H new ATOM 0 HB3 CYS A 6 60.332 4.914 -13.926 1.00 0.00 H new ATOM 65 N ARG A 7 57.674 2.895 -14.088 1.00 0.00 N ATOM 66 CA ARG A 7 56.209 2.823 -14.091 1.00 0.00 C ATOM 67 C ARG A 7 55.578 4.210 -13.932 1.00 0.00 C ATOM 68 O ARG A 7 54.693 4.543 -14.719 1.00 0.00 O ATOM 69 CB ARG A 7 55.715 1.803 -13.023 1.00 0.00 C ATOM 70 CG ARG A 7 54.193 1.974 -12.671 1.00 0.00 C ATOM 71 CD ARG A 7 53.366 0.789 -13.197 1.00 0.00 C ATOM 72 NE ARG A 7 54.071 -0.472 -12.954 1.00 0.00 N ATOM 73 CZ ARG A 7 54.360 -1.334 -13.936 1.00 0.00 C ATOM 74 NH1 ARG A 7 53.944 -1.124 -15.160 1.00 0.00 N ATOM 75 NH2 ARG A 7 55.062 -2.400 -13.670 1.00 0.00 N1+ ATOM 0 H ARG A 7 58.109 2.737 -13.179 1.00 0.00 H new ATOM 0 HA ARG A 7 55.878 2.456 -15.062 1.00 0.00 H new ATOM 0 HB2 ARG A 7 55.887 0.791 -13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 7 56.308 1.919 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 7 54.073 2.054 -11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 7 53.819 2.902 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.393 0.770 -12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.182 0.911 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 7 54.352 -0.702 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 7 53.392 -0.294 -15.376 1.00 0.00 H new ATOM 0 HH12 ARG A 7 54.172 -1.790 -15.898 1.00 0.00 H new ATOM 0 HH21 ARG A 7 55.387 -2.572 -12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 7 55.286 -3.062 -14.413 1.00 0.00 H new ATOM 89 N PRO A 8 55.947 5.027 -12.966 1.00 0.00 N ATOM 90 CA PRO A 8 55.334 6.355 -12.801 1.00 0.00 C ATOM 91 C PRO A 8 56.239 7.470 -13.332 1.00 0.00 C ATOM 92 O PRO A 8 57.215 7.834 -12.675 1.00 0.00 O ATOM 93 CB PRO A 8 55.198 6.431 -11.269 1.00 0.00 C ATOM 94 CG PRO A 8 56.248 5.479 -10.711 1.00 0.00 C ATOM 95 CD PRO A 8 56.953 4.842 -11.920 1.00 0.00 C ATOM 0 HA PRO A 8 54.399 6.482 -13.346 1.00 0.00 H new ATOM 0 HB2 PRO A 8 55.363 7.448 -10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 8 54.197 6.139 -10.950 1.00 0.00 H new ATOM 0 HG2 PRO A 8 56.962 6.014 -10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 8 55.785 4.715 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 8 57.892 5.342 -12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 8 57.185 3.790 -11.754 1.00 0.00 H new ATOM 103 N PRO A 9 55.935 8.050 -14.468 1.00 0.00 N ATOM 104 CA PRO A 9 56.757 9.164 -15.010 1.00 0.00 C ATOM 105 C PRO A 9 57.033 10.202 -13.928 1.00 0.00 C ATOM 106 O PRO A 9 56.102 10.755 -13.341 1.00 0.00 O ATOM 107 CB PRO A 9 55.869 9.745 -16.123 1.00 0.00 C ATOM 108 CG PRO A 9 55.064 8.584 -16.604 1.00 0.00 C ATOM 109 CD PRO A 9 54.816 7.710 -15.370 1.00 0.00 C ATOM 0 HA PRO A 9 57.735 8.845 -15.371 1.00 0.00 H new ATOM 0 HB2 PRO A 9 55.229 10.542 -15.745 1.00 0.00 H new ATOM 0 HB3 PRO A 9 56.469 10.172 -16.927 1.00 0.00 H new ATOM 0 HG2 PRO A 9 54.124 8.915 -17.044 1.00 0.00 H new ATOM 0 HG3 PRO A 9 55.599 8.030 -17.375 1.00 0.00 H new ATOM 0 HD2 PRO A 9 53.852 7.929 -14.912 1.00 0.00 H new ATOM 0 HD3 PRO A 9 54.815 6.650 -15.624 1.00 0.00 H new ATOM 117 N MET A 10 58.309 10.482 -13.673 1.00 0.00 N ATOM 118 CA MET A 10 58.680 11.468 -12.661 1.00 0.00 C ATOM 119 C MET A 10 58.735 12.843 -13.304 1.00 0.00 C ATOM 120 O MET A 10 57.985 13.745 -12.933 1.00 0.00 O ATOM 121 CB MET A 10 60.043 11.099 -12.056 1.00 0.00 C ATOM 122 CG MET A 10 60.501 12.168 -11.056 1.00 0.00 C ATOM 123 SD MET A 10 59.270 12.334 -9.723 1.00 0.00 S ATOM 124 CE MET A 10 60.100 11.437 -8.373 1.00 0.00 C ATOM 0 H MET A 10 59.098 10.044 -14.149 1.00 0.00 H new ATOM 0 HA MET A 10 57.939 11.479 -11.862 1.00 0.00 H new ATOM 0 HB2 MET A 10 59.975 10.133 -11.557 1.00 0.00 H new ATOM 0 HB3 MET A 10 60.783 10.996 -12.850 1.00 0.00 H new ATOM 0 HG2 MET A 10 61.470 11.896 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 10 60.631 13.123 -11.565 1.00 0.00 H new ATOM 0 HE1 MET A 10 59.468 11.451 -7.485 1.00 0.00 H new ATOM 0 HE2 MET A 10 60.277 10.405 -8.677 1.00 0.00 H new ATOM 0 HE3 MET A 10 61.052 11.917 -8.149 1.00 0.00 H new ATOM 134 N VAL A 11 59.602 12.983 -14.304 1.00 0.00 N ATOM 135 CA VAL A 11 59.717 14.236 -15.038 1.00 0.00 C ATOM 136 C VAL A 11 60.105 13.955 -16.483 1.00 0.00 C ATOM 137 O VAL A 11 61.082 13.255 -16.744 1.00 0.00 O ATOM 138 CB VAL A 11 60.753 15.144 -14.366 1.00 0.00 C ATOM 139 CG1 VAL A 11 62.174 14.578 -14.561 1.00 0.00 C ATOM 140 CG2 VAL A 11 60.659 16.546 -14.979 1.00 0.00 C ATOM 0 H VAL A 11 60.232 12.246 -14.622 1.00 0.00 H new ATOM 0 HA VAL A 11 58.754 14.747 -15.030 1.00 0.00 H new ATOM 0 HB VAL A 11 60.549 15.194 -13.296 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.897 15.235 -14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 11 62.234 13.584 -14.118 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.397 14.514 -15.626 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.393 17.199 -14.507 1.00 0.00 H new ATOM 0 HG22 VAL A 11 60.859 16.489 -16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 11 59.659 16.947 -14.817 1.00 0.00 H new ATOM 150 N LYS A 12 59.316 14.473 -17.420 1.00 0.00 N ATOM 151 CA LYS A 12 59.570 14.234 -18.840 1.00 0.00 C ATOM 152 C LYS A 12 60.920 14.804 -19.268 1.00 0.00 C ATOM 153 O LYS A 12 61.359 15.834 -18.755 1.00 0.00 O ATOM 154 CB LYS A 12 58.456 14.852 -19.699 1.00 0.00 C ATOM 155 CG LYS A 12 58.457 16.385 -19.565 1.00 0.00 C ATOM 156 CD LYS A 12 57.439 16.987 -20.544 1.00 0.00 C ATOM 157 CE LYS A 12 56.010 16.579 -20.163 1.00 0.00 C ATOM 158 NZ LYS A 12 55.848 16.603 -18.683 1.00 0.00 N1+ ATOM 0 H LYS A 12 58.502 15.056 -17.226 1.00 0.00 H new ATOM 0 HA LYS A 12 59.587 13.155 -18.991 1.00 0.00 H new ATOM 0 HB2 LYS A 12 58.597 14.573 -20.743 1.00 0.00 H new ATOM 0 HB3 LYS A 12 57.489 14.455 -19.391 1.00 0.00 H new ATOM 0 HG2 LYS A 12 58.208 16.671 -18.543 1.00 0.00 H new ATOM 0 HG3 LYS A 12 59.452 16.778 -19.772 1.00 0.00 H new ATOM 0 HD2 LYS A 12 57.525 18.074 -20.542 1.00 0.00 H new ATOM 0 HD3 LYS A 12 57.660 16.652 -21.557 1.00 0.00 H new ATOM 0 HE2 LYS A 12 55.294 17.258 -20.626 1.00 0.00 H new ATOM 0 HE3 LYS A 12 55.795 15.581 -20.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 54.836 16.646 -18.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 56.263 15.742 -18.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 56.331 17.438 -18.294 1.00 0.00 H new ATOM 172 N LEU A 13 61.554 14.148 -20.247 1.00 0.00 N ATOM 173 CA LEU A 13 62.836 14.618 -20.786 1.00 0.00 C ATOM 174 C LEU A 13 62.707 14.852 -22.300 1.00 0.00 C ATOM 175 O LEU A 13 62.152 14.026 -23.021 1.00 0.00 O ATOM 176 CB LEU A 13 63.993 13.608 -20.503 1.00 0.00 C ATOM 177 CG LEU A 13 63.490 12.253 -19.937 1.00 0.00 C ATOM 178 CD1 LEU A 13 63.038 12.410 -18.469 1.00 0.00 C ATOM 179 CD2 LEU A 13 62.355 11.650 -20.807 1.00 0.00 C ATOM 0 H LEU A 13 61.203 13.294 -20.681 1.00 0.00 H new ATOM 0 HA LEU A 13 63.084 15.554 -20.285 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.544 13.428 -21.426 1.00 0.00 H new ATOM 0 HB3 LEU A 13 64.692 14.054 -19.796 1.00 0.00 H new ATOM 0 HG LEU A 13 64.325 11.554 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 62.689 11.449 -18.091 1.00 0.00 H new ATOM 0 HD12 LEU A 13 63.877 12.755 -17.865 1.00 0.00 H new ATOM 0 HD13 LEU A 13 62.228 13.137 -18.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 62.031 10.702 -20.377 1.00 0.00 H new ATOM 0 HD22 LEU A 13 61.513 12.342 -20.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 62.723 11.482 -21.819 1.00 0.00 H new ATOM 191 N VAL A 14 63.203 15.998 -22.780 1.00 0.00 N ATOM 192 CA VAL A 14 63.137 16.324 -24.209 1.00 0.00 C ATOM 193 C VAL A 14 64.542 16.300 -24.819 1.00 0.00 C ATOM 194 O VAL A 14 65.416 17.082 -24.446 1.00 0.00 O ATOM 195 CB VAL A 14 62.455 17.702 -24.391 1.00 0.00 C ATOM 196 CG1 VAL A 14 62.785 18.607 -23.204 1.00 0.00 C ATOM 197 CG2 VAL A 14 62.911 18.381 -25.696 1.00 0.00 C ATOM 0 H VAL A 14 63.652 16.711 -22.205 1.00 0.00 H new ATOM 0 HA VAL A 14 62.540 15.578 -24.733 1.00 0.00 H new ATOM 0 HB VAL A 14 61.378 17.541 -24.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 62.302 19.575 -23.339 1.00 0.00 H new ATOM 0 HG12 VAL A 14 62.425 18.147 -22.284 1.00 0.00 H new ATOM 0 HG13 VAL A 14 63.864 18.746 -23.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 62.415 19.347 -25.796 1.00 0.00 H new ATOM 0 HG22 VAL A 14 63.991 18.528 -25.672 1.00 0.00 H new ATOM 0 HG23 VAL A 14 62.650 17.749 -26.545 1.00 0.00 H new ATOM 207 N CYS A 15 64.736 15.371 -25.750 1.00 0.00 N ATOM 208 CA CYS A 15 66.025 15.211 -26.411 1.00 0.00 C ATOM 209 C CYS A 15 66.265 16.371 -27.392 1.00 0.00 C ATOM 210 O CYS A 15 65.419 16.630 -28.247 1.00 0.00 O ATOM 211 CB CYS A 15 66.051 13.870 -27.173 1.00 0.00 C ATOM 212 SG CYS A 15 66.857 12.598 -26.168 1.00 0.00 S ATOM 0 H CYS A 15 64.017 14.718 -26.063 1.00 0.00 H new ATOM 0 HA CYS A 15 66.814 15.217 -25.659 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.034 13.562 -27.417 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.583 13.990 -28.117 1.00 0.00 H new ATOM 217 N PRO A 16 67.384 17.066 -27.315 1.00 0.00 N ATOM 218 CA PRO A 16 67.669 18.183 -28.255 1.00 0.00 C ATOM 219 C PRO A 16 68.016 17.659 -29.647 1.00 0.00 C ATOM 220 O PRO A 16 68.159 16.453 -29.848 1.00 0.00 O ATOM 221 CB PRO A 16 68.850 18.919 -27.619 1.00 0.00 C ATOM 222 CG PRO A 16 69.549 17.898 -26.777 1.00 0.00 C ATOM 223 CD PRO A 16 68.486 16.874 -26.348 1.00 0.00 C ATOM 0 HA PRO A 16 66.809 18.836 -28.400 1.00 0.00 H new ATOM 0 HB2 PRO A 16 69.517 19.323 -28.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 68.509 19.760 -27.015 1.00 0.00 H new ATOM 0 HG2 PRO A 16 70.347 17.414 -27.339 1.00 0.00 H new ATOM 0 HG3 PRO A 16 70.010 18.365 -25.906 1.00 0.00 H new ATOM 0 HD2 PRO A 16 68.876 15.857 -26.385 1.00 0.00 H new ATOM 0 HD3 PRO A 16 68.153 17.051 -25.325 1.00 0.00 H new ATOM 231 N ALA A 17 68.130 18.572 -30.610 1.00 0.00 N ATOM 232 CA ALA A 17 68.442 18.197 -31.990 1.00 0.00 C ATOM 233 C ALA A 17 69.858 18.640 -32.369 1.00 0.00 C ATOM 234 O ALA A 17 70.653 17.829 -32.846 1.00 0.00 O ATOM 235 CB ALA A 17 67.406 18.837 -32.933 1.00 0.00 C ATOM 0 H ALA A 17 68.012 19.574 -30.462 1.00 0.00 H new ATOM 0 HA ALA A 17 68.398 17.112 -32.084 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.633 18.562 -33.963 1.00 0.00 H new ATOM 0 HB2 ALA A 17 66.409 18.481 -32.673 1.00 0.00 H new ATOM 0 HB3 ALA A 17 67.442 19.922 -32.831 1.00 0.00 H new ATOM 241 N ASP A 18 70.160 19.931 -32.219 1.00 0.00 N ATOM 242 CA ASP A 18 71.472 20.449 -32.610 1.00 0.00 C ATOM 243 C ASP A 18 72.549 20.164 -31.553 1.00 0.00 C ATOM 244 O ASP A 18 73.743 20.269 -31.836 1.00 0.00 O ATOM 245 CB ASP A 18 71.362 21.959 -32.859 1.00 0.00 C ATOM 246 CG ASP A 18 72.740 22.566 -33.105 1.00 0.00 C ATOM 247 OD1 ASP A 18 73.188 22.534 -34.240 1.00 0.00 O ATOM 248 OD2 ASP A 18 73.325 23.058 -32.154 1.00 0.00 O1- ATOM 0 H ASP A 18 69.523 20.629 -31.835 1.00 0.00 H new ATOM 0 HA ASP A 18 71.779 19.937 -33.522 1.00 0.00 H new ATOM 0 HB2 ASP A 18 70.718 22.145 -33.719 1.00 0.00 H new ATOM 0 HB3 ASP A 18 70.895 22.441 -32.001 1.00 0.00 H new ATOM 253 N ASN A 19 72.131 19.768 -30.355 1.00 0.00 N ATOM 254 CA ASN A 19 73.080 19.421 -29.291 1.00 0.00 C ATOM 255 C ASN A 19 74.013 20.594 -28.937 1.00 0.00 C ATOM 256 O ASN A 19 75.013 20.399 -28.245 1.00 0.00 O ATOM 257 CB ASN A 19 73.896 18.166 -29.730 1.00 0.00 C ATOM 258 CG ASN A 19 75.392 18.469 -29.920 1.00 0.00 C ATOM 259 OD1 ASN A 19 75.804 18.932 -30.983 1.00 0.00 O ATOM 260 ND2 ASN A 19 76.228 18.231 -28.943 1.00 0.00 N ATOM 0 H ASN A 19 71.149 19.678 -30.093 1.00 0.00 H new ATOM 0 HA ASN A 19 72.518 19.195 -28.385 1.00 0.00 H new ATOM 0 HB2 ASN A 19 73.780 17.382 -28.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 73.486 17.779 -30.663 1.00 0.00 H new ATOM 0 HD21 ASN A 19 77.221 18.429 -29.062 1.00 0.00 H new ATOM 0 HD22 ASN A 19 75.887 17.847 -28.062 1.00 0.00 H new ATOM 267 N LEU A 20 73.697 21.805 -29.390 1.00 0.00 N ATOM 268 CA LEU A 20 74.559 22.953 -29.084 1.00 0.00 C ATOM 269 C LEU A 20 74.973 22.922 -27.596 1.00 0.00 C ATOM 270 O LEU A 20 76.068 23.351 -27.233 1.00 0.00 O ATOM 271 CB LEU A 20 73.837 24.293 -29.398 1.00 0.00 C ATOM 272 CG LEU A 20 74.702 25.198 -30.310 1.00 0.00 C ATOM 273 CD1 LEU A 20 73.890 26.452 -30.698 1.00 0.00 C ATOM 274 CD2 LEU A 20 76.022 25.607 -29.599 1.00 0.00 C ATOM 0 H LEU A 20 72.875 22.018 -29.955 1.00 0.00 H new ATOM 0 HA LEU A 20 75.448 22.885 -29.711 1.00 0.00 H new ATOM 0 HB2 LEU A 20 72.883 24.089 -29.884 1.00 0.00 H new ATOM 0 HB3 LEU A 20 73.616 24.816 -28.468 1.00 0.00 H new ATOM 0 HG LEU A 20 74.968 24.642 -31.209 1.00 0.00 H new ATOM 0 HD11 LEU A 20 74.494 27.093 -31.340 1.00 0.00 H new ATOM 0 HD12 LEU A 20 72.988 26.151 -31.231 1.00 0.00 H new ATOM 0 HD13 LEU A 20 73.613 26.999 -29.797 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.610 26.242 -30.261 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.789 26.153 -28.685 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.594 24.713 -29.351 1.00 0.00 H new ATOM 286 N ARG A 21 74.047 22.478 -26.737 1.00 0.00 N ATOM 287 CA ARG A 21 74.276 22.484 -25.282 1.00 0.00 C ATOM 288 C ARG A 21 74.531 21.080 -24.738 1.00 0.00 C ATOM 289 O ARG A 21 74.891 20.919 -23.572 1.00 0.00 O ATOM 290 CB ARG A 21 73.056 23.093 -24.547 1.00 0.00 C ATOM 291 CG ARG A 21 72.453 24.298 -25.339 1.00 0.00 C ATOM 292 CD ARG A 21 70.968 24.054 -25.665 1.00 0.00 C ATOM 293 NE ARG A 21 70.762 22.681 -26.110 1.00 0.00 N ATOM 294 CZ ARG A 21 71.049 22.301 -27.347 1.00 0.00 C ATOM 295 NH1 ARG A 21 71.463 23.174 -28.222 1.00 0.00 N ATOM 296 NH2 ARG A 21 70.909 21.054 -27.690 1.00 0.00 N1+ ATOM 0 H ARG A 21 73.138 22.112 -27.019 1.00 0.00 H new ATOM 0 HA ARG A 21 75.164 23.091 -25.102 1.00 0.00 H new ATOM 0 HB2 ARG A 21 72.292 22.327 -24.411 1.00 0.00 H new ATOM 0 HB3 ARG A 21 73.357 23.424 -23.553 1.00 0.00 H new ATOM 0 HG2 ARG A 21 72.555 25.211 -24.753 1.00 0.00 H new ATOM 0 HG3 ARG A 21 73.012 24.448 -26.263 1.00 0.00 H new ATOM 0 HD2 ARG A 21 70.359 24.252 -24.783 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.641 24.747 -26.440 1.00 0.00 H new ATOM 0 HE ARG A 21 70.388 21.996 -25.453 1.00 0.00 H new ATOM 0 HH11 ARG A 21 71.567 24.153 -27.956 1.00 0.00 H new ATOM 0 HH12 ARG A 21 71.683 22.878 -29.173 1.00 0.00 H new ATOM 0 HH21 ARG A 21 70.579 20.371 -27.008 1.00 0.00 H new ATOM 0 HH22 ARG A 21 71.129 20.759 -28.641 1.00 0.00 H new ATOM 310 N ALA A 22 74.348 20.065 -25.576 1.00 0.00 N ATOM 311 CA ALA A 22 74.564 18.682 -25.149 1.00 0.00 C ATOM 312 C ALA A 22 73.360 18.142 -24.360 1.00 0.00 C ATOM 313 O ALA A 22 72.814 17.106 -24.724 1.00 0.00 O ATOM 314 CB ALA A 22 75.847 18.575 -24.299 1.00 0.00 C ATOM 0 H ALA A 22 74.053 20.169 -26.547 1.00 0.00 H new ATOM 0 HA ALA A 22 74.679 18.073 -26.046 1.00 0.00 H new ATOM 0 HB1 ALA A 22 75.993 17.540 -23.989 1.00 0.00 H new ATOM 0 HB2 ALA A 22 76.703 18.901 -24.890 1.00 0.00 H new ATOM 0 HB3 ALA A 22 75.753 19.208 -23.417 1.00 0.00 H new ATOM 320 N GLU A 23 72.991 18.853 -23.280 1.00 0.00 N ATOM 321 CA GLU A 23 71.871 18.485 -22.381 1.00 0.00 C ATOM 322 C GLU A 23 72.411 18.170 -20.992 1.00 0.00 C ATOM 323 O GLU A 23 72.049 18.819 -20.011 1.00 0.00 O ATOM 324 CB GLU A 23 71.051 17.277 -22.885 1.00 0.00 C ATOM 325 CG GLU A 23 69.811 17.039 -21.981 1.00 0.00 C ATOM 326 CD GLU A 23 70.088 15.951 -20.941 1.00 0.00 C ATOM 327 OE1 GLU A 23 71.124 16.014 -20.301 1.00 0.00 O1- ATOM 328 OE2 GLU A 23 69.254 15.073 -20.799 1.00 0.00 O ATOM 0 H GLU A 23 73.465 19.711 -22.999 1.00 0.00 H new ATOM 0 HA GLU A 23 71.200 19.344 -22.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 70.730 17.452 -23.912 1.00 0.00 H new ATOM 0 HB3 GLU A 23 71.677 16.385 -22.894 1.00 0.00 H new ATOM 0 HG2 GLU A 23 69.541 17.967 -21.478 1.00 0.00 H new ATOM 0 HG3 GLU A 23 68.959 16.750 -22.596 1.00 0.00 H new ATOM 335 N GLY A 24 73.285 17.171 -20.917 1.00 0.00 N ATOM 336 CA GLY A 24 73.875 16.782 -19.642 1.00 0.00 C ATOM 337 C GLY A 24 74.660 15.482 -19.770 1.00 0.00 C ATOM 338 O GLY A 24 75.563 15.366 -20.598 1.00 0.00 O ATOM 0 H GLY A 24 73.598 16.621 -21.717 1.00 0.00 H new ATOM 0 HA2 GLY A 24 74.534 17.574 -19.287 1.00 0.00 H new ATOM 0 HA3 GLY A 24 73.089 16.663 -18.896 1.00 0.00 H new ATOM 342 N LEU A 25 74.309 14.510 -18.935 1.00 0.00 N ATOM 343 CA LEU A 25 74.984 13.215 -18.945 1.00 0.00 C ATOM 344 C LEU A 25 75.011 12.650 -20.366 1.00 0.00 C ATOM 345 O LEU A 25 74.250 13.087 -21.230 1.00 0.00 O ATOM 346 CB LEU A 25 74.272 12.220 -17.986 1.00 0.00 C ATOM 347 CG LEU A 25 73.382 12.989 -16.986 1.00 0.00 C ATOM 348 CD1 LEU A 25 72.049 13.391 -17.662 1.00 0.00 C ATOM 349 CD2 LEU A 25 73.082 12.111 -15.752 1.00 0.00 C ATOM 0 H LEU A 25 73.563 14.593 -18.244 1.00 0.00 H new ATOM 0 HA LEU A 25 76.008 13.354 -18.599 1.00 0.00 H new ATOM 0 HB2 LEU A 25 73.665 11.520 -18.561 1.00 0.00 H new ATOM 0 HB3 LEU A 25 75.013 11.630 -17.446 1.00 0.00 H new ATOM 0 HG LEU A 25 73.914 13.886 -16.669 1.00 0.00 H new ATOM 0 HD11 LEU A 25 71.428 13.933 -16.949 1.00 0.00 H new ATOM 0 HD12 LEU A 25 72.255 14.029 -18.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 71.524 12.495 -17.993 1.00 0.00 H new ATOM 0 HD21 LEU A 25 72.454 12.665 -15.055 1.00 0.00 H new ATOM 0 HD22 LEU A 25 72.563 11.206 -16.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 74.017 11.841 -15.261 1.00 0.00 H new ATOM 361 N GLU A 26 75.876 11.661 -20.592 1.00 0.00 N ATOM 362 CA GLU A 26 75.979 11.018 -21.904 1.00 0.00 C ATOM 363 C GLU A 26 75.462 9.587 -21.827 1.00 0.00 C ATOM 364 O GLU A 26 74.352 9.292 -22.268 1.00 0.00 O ATOM 365 CB GLU A 26 77.438 11.013 -22.387 1.00 0.00 C ATOM 366 CG GLU A 26 78.087 12.392 -22.144 1.00 0.00 C ATOM 367 CD GLU A 26 78.745 12.439 -20.766 1.00 0.00 C ATOM 368 OE1 GLU A 26 79.520 11.544 -20.473 1.00 0.00 O1- ATOM 369 OE2 GLU A 26 78.469 13.371 -20.029 1.00 0.00 O ATOM 0 H GLU A 26 76.513 11.288 -19.888 1.00 0.00 H new ATOM 0 HA GLU A 26 75.374 11.583 -22.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 78.000 10.241 -21.861 1.00 0.00 H new ATOM 0 HB3 GLU A 26 77.476 10.767 -23.448 1.00 0.00 H new ATOM 0 HG2 GLU A 26 78.831 12.591 -22.915 1.00 0.00 H new ATOM 0 HG3 GLU A 26 77.332 13.174 -22.220 1.00 0.00 H new ATOM 376 N CYS A 27 76.277 8.701 -21.257 1.00 0.00 N ATOM 377 CA CYS A 27 75.912 7.292 -21.116 1.00 0.00 C ATOM 378 C CYS A 27 75.479 7.012 -19.680 1.00 0.00 C ATOM 379 O CYS A 27 75.960 7.648 -18.743 1.00 0.00 O ATOM 380 CB CYS A 27 77.121 6.402 -21.480 1.00 0.00 C ATOM 381 SG CYS A 27 78.287 7.343 -22.495 1.00 0.00 S ATOM 0 H CYS A 27 77.197 8.935 -20.884 1.00 0.00 H new ATOM 0 HA CYS A 27 75.085 7.067 -21.789 1.00 0.00 H new ATOM 0 HB2 CYS A 27 77.614 6.052 -20.573 1.00 0.00 H new ATOM 0 HB3 CYS A 27 76.784 5.518 -22.021 1.00 0.00 H new ATOM 386 N THR A 28 74.598 6.037 -19.509 1.00 0.00 N ATOM 387 CA THR A 28 74.145 5.666 -18.176 1.00 0.00 C ATOM 388 C THR A 28 75.326 5.124 -17.373 1.00 0.00 C ATOM 389 O THR A 28 76.312 4.667 -17.954 1.00 0.00 O ATOM 390 CB THR A 28 73.058 4.594 -18.282 1.00 0.00 C ATOM 391 OG1 THR A 28 72.159 4.942 -19.326 1.00 0.00 O ATOM 392 CG2 THR A 28 72.290 4.503 -16.963 1.00 0.00 C ATOM 0 H THR A 28 74.186 5.493 -20.268 1.00 0.00 H new ATOM 0 HA THR A 28 73.736 6.542 -17.673 1.00 0.00 H new ATOM 0 HB THR A 28 73.520 3.630 -18.497 1.00 0.00 H new ATOM 0 HG1 THR A 28 71.462 4.257 -19.399 1.00 0.00 H new ATOM 0 HG21 THR A 28 71.517 3.738 -17.044 1.00 0.00 H new ATOM 0 HG22 THR A 28 72.978 4.240 -16.159 1.00 0.00 H new ATOM 0 HG23 THR A 28 71.827 5.465 -16.745 1.00 0.00 H new ATOM 400 N LYS A 29 75.241 5.190 -16.041 1.00 0.00 N ATOM 401 CA LYS A 29 76.332 4.710 -15.185 1.00 0.00 C ATOM 402 C LYS A 29 75.771 3.763 -14.119 1.00 0.00 C ATOM 403 O LYS A 29 74.701 4.003 -13.562 1.00 0.00 O ATOM 404 CB LYS A 29 77.051 5.931 -14.545 1.00 0.00 C ATOM 405 CG LYS A 29 76.651 6.129 -13.074 1.00 0.00 C ATOM 406 CD LYS A 29 77.187 7.475 -12.572 1.00 0.00 C ATOM 407 CE LYS A 29 76.974 7.591 -11.056 1.00 0.00 C ATOM 408 NZ LYS A 29 76.929 9.028 -10.664 1.00 0.00 N1+ ATOM 0 H LYS A 29 74.439 5.566 -15.536 1.00 0.00 H new ATOM 0 HA LYS A 29 77.060 4.154 -15.775 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.130 5.792 -14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 76.810 6.831 -15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.566 6.098 -12.974 1.00 0.00 H new ATOM 0 HG3 LYS A 29 77.050 5.317 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 29 78.248 7.564 -12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.678 8.292 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.045 7.097 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.780 7.084 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.191 9.123 -9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.597 9.569 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.967 9.397 -10.807 1.00 0.00 H new ATOM 422 N THR A 30 76.517 2.704 -13.834 1.00 0.00 N ATOM 423 CA THR A 30 76.115 1.731 -12.815 1.00 0.00 C ATOM 424 C THR A 30 77.126 1.746 -11.677 1.00 0.00 C ATOM 425 O THR A 30 78.213 2.295 -11.821 1.00 0.00 O ATOM 426 CB THR A 30 76.030 0.334 -13.437 1.00 0.00 C ATOM 427 OG1 THR A 30 75.305 0.403 -14.656 1.00 0.00 O ATOM 428 CG2 THR A 30 75.321 -0.626 -12.473 1.00 0.00 C ATOM 0 H THR A 30 77.404 2.493 -14.291 1.00 0.00 H new ATOM 0 HA THR A 30 75.134 1.996 -12.421 1.00 0.00 H new ATOM 0 HB THR A 30 77.038 -0.034 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 30 75.251 -0.490 -15.056 1.00 0.00 H new ATOM 0 HG21 THR A 30 75.265 -1.617 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 30 75.880 -0.683 -11.539 1.00 0.00 H new ATOM 0 HG23 THR A 30 74.314 -0.261 -12.271 1.00 0.00 H new ATOM 436 N CYS A 31 76.748 1.192 -10.535 1.00 0.00 N ATOM 437 CA CYS A 31 77.628 1.217 -9.372 1.00 0.00 C ATOM 438 C CYS A 31 78.843 0.307 -9.561 1.00 0.00 C ATOM 439 O CYS A 31 79.963 0.691 -9.229 1.00 0.00 O ATOM 440 CB CYS A 31 76.829 0.803 -8.119 1.00 0.00 C ATOM 441 SG CYS A 31 77.238 1.896 -6.730 1.00 0.00 S ATOM 0 H CYS A 31 75.853 0.726 -10.387 1.00 0.00 H new ATOM 0 HA CYS A 31 78.005 2.232 -9.247 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.760 0.851 -8.327 1.00 0.00 H new ATOM 0 HB3 CYS A 31 77.057 -0.231 -7.858 1.00 0.00 H new ATOM 446 N GLN A 32 78.616 -0.935 -9.988 1.00 0.00 N ATOM 447 CA GLN A 32 79.716 -1.907 -10.073 1.00 0.00 C ATOM 448 C GLN A 32 80.475 -1.791 -11.404 1.00 0.00 C ATOM 449 O GLN A 32 81.600 -2.281 -11.519 1.00 0.00 O ATOM 450 CB GLN A 32 79.139 -3.341 -9.888 1.00 0.00 C ATOM 451 CG GLN A 32 79.908 -4.169 -8.807 1.00 0.00 C ATOM 452 CD GLN A 32 78.968 -4.577 -7.667 1.00 0.00 C ATOM 453 OE1 GLN A 32 79.022 -5.712 -7.192 1.00 0.00 O ATOM 454 NE2 GLN A 32 78.107 -3.714 -7.203 1.00 0.00 N ATOM 0 H GLN A 32 77.704 -1.290 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 32 80.434 -1.695 -9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 32 78.088 -3.271 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 32 79.179 -3.870 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 32 80.341 -5.059 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 32 80.735 -3.580 -8.410 1.00 0.00 H new ATOM 0 HE21 GLN A 32 78.064 -2.774 -7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 32 77.477 -3.979 -6.446 1.00 0.00 H new ATOM 463 N ASN A 33 79.838 -1.193 -12.417 1.00 0.00 N ATOM 464 CA ASN A 33 80.457 -1.086 -13.752 1.00 0.00 C ATOM 465 C ASN A 33 80.724 0.375 -14.144 1.00 0.00 C ATOM 466 O ASN A 33 80.985 0.671 -15.312 1.00 0.00 O ATOM 467 CB ASN A 33 79.541 -1.783 -14.783 1.00 0.00 C ATOM 468 CG ASN A 33 80.349 -2.510 -15.868 1.00 0.00 C ATOM 469 OD1 ASN A 33 79.899 -2.607 -17.009 1.00 0.00 O ATOM 470 ND2 ASN A 33 81.516 -3.031 -15.586 1.00 0.00 N ATOM 0 H ASN A 33 78.908 -0.780 -12.345 1.00 0.00 H new ATOM 0 HA ASN A 33 81.428 -1.581 -13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 33 78.896 -2.497 -14.271 1.00 0.00 H new ATOM 0 HB3 ASN A 33 78.891 -1.043 -15.249 1.00 0.00 H new ATOM 0 HD21 ASN A 33 82.047 -3.514 -16.310 1.00 0.00 H new ATOM 0 HD22 ASN A 33 81.894 -2.954 -14.642 1.00 0.00 H new ATOM 477 N TYR A 34 80.682 1.282 -13.167 1.00 0.00 N ATOM 478 CA TYR A 34 80.961 2.695 -13.425 1.00 0.00 C ATOM 479 C TYR A 34 82.251 2.855 -14.234 1.00 0.00 C ATOM 480 O TYR A 34 82.531 3.938 -14.748 1.00 0.00 O ATOM 481 CB TYR A 34 81.097 3.452 -12.090 1.00 0.00 C ATOM 482 CG TYR A 34 81.707 4.824 -12.307 1.00 0.00 C ATOM 483 CD1 TYR A 34 80.898 5.913 -12.657 1.00 0.00 C ATOM 484 CD2 TYR A 34 83.086 5.001 -12.146 1.00 0.00 C ATOM 485 CE1 TYR A 34 81.471 7.179 -12.845 1.00 0.00 C ATOM 486 CE2 TYR A 34 83.658 6.265 -12.332 1.00 0.00 C ATOM 487 CZ TYR A 34 82.853 7.354 -12.682 1.00 0.00 C ATOM 488 OH TYR A 34 83.419 8.600 -12.861 1.00 0.00 O ATOM 0 H TYR A 34 80.459 1.065 -12.196 1.00 0.00 H new ATOM 0 HA TYR A 34 80.133 3.109 -14.001 1.00 0.00 H new ATOM 0 HB2 TYR A 34 80.117 3.555 -11.624 1.00 0.00 H new ATOM 0 HB3 TYR A 34 81.718 2.878 -11.403 1.00 0.00 H new ATOM 0 HD1 TYR A 34 79.834 5.778 -12.782 1.00 0.00 H new ATOM 0 HD2 TYR A 34 83.710 4.161 -11.878 1.00 0.00 H new ATOM 0 HE1 TYR A 34 80.848 8.019 -13.115 1.00 0.00 H new ATOM 0 HE2 TYR A 34 84.722 6.400 -12.205 1.00 0.00 H new ATOM 0 HH TYR A 34 84.386 8.545 -12.709 1.00 0.00 H new ATOM 498 N ASP A 35 83.072 1.800 -14.293 1.00 0.00 N ATOM 499 CA ASP A 35 84.365 1.875 -14.990 1.00 0.00 C ATOM 500 C ASP A 35 84.337 1.102 -16.316 1.00 0.00 C ATOM 501 O ASP A 35 85.327 0.468 -16.676 1.00 0.00 O ATOM 502 CB ASP A 35 85.477 1.284 -14.080 1.00 0.00 C ATOM 503 CG ASP A 35 85.040 1.296 -12.616 1.00 0.00 C ATOM 504 OD1 ASP A 35 84.154 0.529 -12.277 1.00 0.00 O1- ATOM 505 OD2 ASP A 35 85.603 2.067 -11.856 1.00 0.00 O ATOM 0 H ASP A 35 82.869 0.893 -13.872 1.00 0.00 H new ATOM 0 HA ASP A 35 84.569 2.923 -15.210 1.00 0.00 H new ATOM 0 HB2 ASP A 35 85.702 0.263 -14.389 1.00 0.00 H new ATOM 0 HB3 ASP A 35 86.394 1.862 -14.196 1.00 0.00 H new ATOM 510 N LEU A 36 83.207 1.126 -17.040 1.00 0.00 N ATOM 511 CA LEU A 36 83.094 0.374 -18.303 1.00 0.00 C ATOM 512 C LEU A 36 82.983 1.317 -19.503 1.00 0.00 C ATOM 513 O LEU A 36 82.359 2.374 -19.423 1.00 0.00 O ATOM 514 CB LEU A 36 81.859 -0.529 -18.240 1.00 0.00 C ATOM 515 CG LEU A 36 81.877 -1.592 -19.367 1.00 0.00 C ATOM 516 CD1 LEU A 36 82.799 -2.770 -18.977 1.00 0.00 C ATOM 517 CD2 LEU A 36 80.442 -2.142 -19.635 1.00 0.00 C ATOM 0 H LEU A 36 82.370 1.648 -16.780 1.00 0.00 H new ATOM 0 HA LEU A 36 83.994 -0.228 -18.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 81.819 -1.025 -17.270 1.00 0.00 H new ATOM 0 HB3 LEU A 36 80.958 0.078 -18.325 1.00 0.00 H new ATOM 0 HG LEU A 36 82.252 -1.112 -20.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.803 -3.510 -19.778 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.813 -2.402 -18.819 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.433 -3.230 -18.059 1.00 0.00 H new ATOM 0 HD21 LEU A 36 80.480 -2.887 -20.430 1.00 0.00 H new ATOM 0 HD22 LEU A 36 80.053 -2.601 -18.726 1.00 0.00 H new ATOM 0 HD23 LEU A 36 79.789 -1.323 -19.936 1.00 0.00 H new ATOM 529 N GLU A 37 83.610 0.925 -20.612 1.00 0.00 N ATOM 530 CA GLU A 37 83.597 1.737 -21.828 1.00 0.00 C ATOM 531 C GLU A 37 82.174 2.002 -22.305 1.00 0.00 C ATOM 532 O GLU A 37 81.339 1.099 -22.339 1.00 0.00 O ATOM 533 CB GLU A 37 84.382 1.025 -22.940 1.00 0.00 C ATOM 534 CG GLU A 37 84.235 1.785 -24.287 1.00 0.00 C ATOM 535 CD GLU A 37 83.123 1.191 -25.162 1.00 0.00 C ATOM 536 OE1 GLU A 37 82.565 0.171 -24.790 1.00 0.00 O ATOM 537 OE2 GLU A 37 82.847 1.770 -26.202 1.00 0.00 O1- ATOM 0 H GLU A 37 84.132 0.052 -20.693 1.00 0.00 H new ATOM 0 HA GLU A 37 84.065 2.693 -21.596 1.00 0.00 H new ATOM 0 HB2 GLU A 37 85.435 0.961 -22.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 84.019 0.003 -23.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 84.019 2.835 -24.089 1.00 0.00 H new ATOM 0 HG3 GLU A 37 85.180 1.750 -24.828 1.00 0.00 H new ATOM 544 N CYS A 38 81.917 3.251 -22.703 1.00 0.00 N ATOM 545 CA CYS A 38 80.605 3.643 -23.212 1.00 0.00 C ATOM 546 C CYS A 38 80.663 3.773 -24.734 1.00 0.00 C ATOM 547 O CYS A 38 81.325 4.660 -25.275 1.00 0.00 O ATOM 548 CB CYS A 38 80.169 4.972 -22.554 1.00 0.00 C ATOM 549 SG CYS A 38 79.129 5.946 -23.684 1.00 0.00 S ATOM 0 H CYS A 38 82.602 4.006 -22.682 1.00 0.00 H new ATOM 0 HA CYS A 38 79.868 2.880 -22.962 1.00 0.00 H new ATOM 0 HB2 CYS A 38 79.620 4.765 -21.636 1.00 0.00 H new ATOM 0 HB3 CYS A 38 81.050 5.550 -22.275 1.00 0.00 H new ATOM 554 N MET A 39 79.968 2.866 -25.409 1.00 0.00 N ATOM 555 CA MET A 39 79.927 2.860 -26.870 1.00 0.00 C ATOM 556 C MET A 39 79.310 4.184 -27.378 1.00 0.00 C ATOM 557 O MET A 39 79.585 5.248 -26.818 1.00 0.00 O ATOM 558 CB MET A 39 79.148 1.601 -27.377 1.00 0.00 C ATOM 559 CG MET A 39 78.488 0.857 -26.212 1.00 0.00 C ATOM 560 SD MET A 39 77.271 -0.311 -26.875 1.00 0.00 S ATOM 561 CE MET A 39 76.047 0.899 -27.454 1.00 0.00 C ATOM 0 H MET A 39 79.424 2.124 -24.970 1.00 0.00 H new ATOM 0 HA MET A 39 80.937 2.795 -27.274 1.00 0.00 H new ATOM 0 HB2 MET A 39 78.388 1.905 -28.096 1.00 0.00 H new ATOM 0 HB3 MET A 39 79.832 0.932 -27.900 1.00 0.00 H new ATOM 0 HG2 MET A 39 79.241 0.326 -25.629 1.00 0.00 H new ATOM 0 HG3 MET A 39 78.004 1.565 -25.539 1.00 0.00 H new ATOM 0 HE1 MET A 39 75.069 0.654 -27.040 1.00 0.00 H new ATOM 0 HE2 MET A 39 76.340 1.897 -27.128 1.00 0.00 H new ATOM 0 HE3 MET A 39 75.997 0.873 -28.543 1.00 0.00 H new ATOM 571 N SER A 40 78.486 4.123 -28.427 1.00 0.00 N ATOM 572 CA SER A 40 77.837 5.309 -28.982 1.00 0.00 C ATOM 573 C SER A 40 76.746 5.837 -28.043 1.00 0.00 C ATOM 574 O SER A 40 76.691 7.031 -27.748 1.00 0.00 O ATOM 575 CB SER A 40 77.219 4.937 -30.333 1.00 0.00 C ATOM 576 OG SER A 40 77.003 6.108 -31.106 1.00 0.00 O ATOM 0 H SER A 40 78.252 3.256 -28.911 1.00 0.00 H new ATOM 0 HA SER A 40 78.581 6.096 -29.104 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.879 4.254 -30.868 1.00 0.00 H new ATOM 0 HB3 SER A 40 76.275 4.414 -30.179 1.00 0.00 H new ATOM 0 HG SER A 40 76.609 5.862 -31.969 1.00 0.00 H new ATOM 582 N MET A 41 75.867 4.934 -27.600 1.00 0.00 N ATOM 583 CA MET A 41 74.756 5.296 -26.713 1.00 0.00 C ATOM 584 C MET A 41 74.178 6.658 -27.108 1.00 0.00 C ATOM 585 O MET A 41 73.976 6.938 -28.290 1.00 0.00 O ATOM 586 CB MET A 41 75.227 5.351 -25.250 1.00 0.00 C ATOM 587 CG MET A 41 76.014 4.082 -24.882 1.00 0.00 C ATOM 588 SD MET A 41 74.867 2.728 -24.499 1.00 0.00 S ATOM 589 CE MET A 41 74.416 3.214 -22.806 1.00 0.00 C ATOM 0 H MET A 41 75.903 3.944 -27.842 1.00 0.00 H new ATOM 0 HA MET A 41 73.984 4.533 -26.813 1.00 0.00 H new ATOM 0 HB2 MET A 41 75.853 6.230 -25.098 1.00 0.00 H new ATOM 0 HB3 MET A 41 74.366 5.455 -24.590 1.00 0.00 H new ATOM 0 HG2 MET A 41 76.665 3.795 -25.708 1.00 0.00 H new ATOM 0 HG3 MET A 41 76.657 4.279 -24.024 1.00 0.00 H new ATOM 0 HE1 MET A 41 74.628 2.392 -22.123 1.00 0.00 H new ATOM 0 HE2 MET A 41 74.996 4.089 -22.512 1.00 0.00 H new ATOM 0 HE3 MET A 41 73.353 3.453 -22.767 1.00 0.00 H new ATOM 599 N GLY A 42 73.963 7.526 -26.111 1.00 0.00 N ATOM 600 CA GLY A 42 73.463 8.882 -26.361 1.00 0.00 C ATOM 601 C GLY A 42 72.141 9.141 -25.646 1.00 0.00 C ATOM 602 O GLY A 42 71.910 8.650 -24.542 1.00 0.00 O ATOM 0 H GLY A 42 74.127 7.313 -25.127 1.00 0.00 H new ATOM 0 HA2 GLY A 42 74.204 9.609 -26.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 73.331 9.028 -27.433 1.00 0.00 H new ATOM 606 N CYS A 43 71.291 9.959 -26.275 1.00 0.00 N ATOM 607 CA CYS A 43 70.002 10.328 -25.687 1.00 0.00 C ATOM 608 C CYS A 43 68.858 9.524 -26.312 1.00 0.00 C ATOM 609 O CYS A 43 68.651 9.546 -27.526 1.00 0.00 O ATOM 610 CB CYS A 43 69.774 11.855 -25.861 1.00 0.00 C ATOM 611 SG CYS A 43 68.569 12.207 -27.172 1.00 0.00 S ATOM 0 H CYS A 43 71.473 10.376 -27.188 1.00 0.00 H new ATOM 0 HA CYS A 43 70.017 10.090 -24.623 1.00 0.00 H new ATOM 0 HB2 CYS A 43 69.424 12.280 -24.921 1.00 0.00 H new ATOM 0 HB3 CYS A 43 70.721 12.340 -26.097 1.00 0.00 H new ATOM 616 N VAL A 44 68.104 8.842 -25.458 1.00 0.00 N ATOM 617 CA VAL A 44 66.950 8.062 -25.903 1.00 0.00 C ATOM 618 C VAL A 44 65.853 8.140 -24.844 1.00 0.00 C ATOM 619 O VAL A 44 66.100 7.894 -23.665 1.00 0.00 O ATOM 620 CB VAL A 44 67.364 6.605 -26.144 1.00 0.00 C ATOM 621 CG1 VAL A 44 68.126 6.067 -24.932 1.00 0.00 C ATOM 622 CG2 VAL A 44 66.119 5.746 -26.391 1.00 0.00 C ATOM 0 H VAL A 44 68.269 8.812 -24.452 1.00 0.00 H new ATOM 0 HA VAL A 44 66.570 8.469 -26.840 1.00 0.00 H new ATOM 0 HB VAL A 44 68.012 6.563 -27.019 1.00 0.00 H new ATOM 0 HG11 VAL A 44 68.415 5.032 -25.114 1.00 0.00 H new ATOM 0 HG12 VAL A 44 69.019 6.670 -24.767 1.00 0.00 H new ATOM 0 HG13 VAL A 44 67.488 6.116 -24.050 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.418 4.712 -26.562 1.00 0.00 H new ATOM 0 HG22 VAL A 44 65.464 5.795 -25.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.587 6.119 -27.266 1.00 0.00 H new ATOM 632 N SER A 45 64.649 8.510 -25.280 1.00 0.00 N ATOM 633 CA SER A 45 63.509 8.647 -24.369 1.00 0.00 C ATOM 634 C SER A 45 63.535 7.561 -23.298 1.00 0.00 C ATOM 635 O SER A 45 62.966 6.484 -23.473 1.00 0.00 O ATOM 636 CB SER A 45 62.200 8.554 -25.154 1.00 0.00 C ATOM 637 OG SER A 45 62.064 9.700 -25.983 1.00 0.00 O ATOM 0 H SER A 45 64.436 8.720 -26.255 1.00 0.00 H new ATOM 0 HA SER A 45 63.578 9.620 -23.883 1.00 0.00 H new ATOM 0 HB2 SER A 45 62.191 7.649 -25.762 1.00 0.00 H new ATOM 0 HB3 SER A 45 61.356 8.486 -24.468 1.00 0.00 H new ATOM 0 HG SER A 45 61.226 9.641 -26.488 1.00 0.00 H new ATOM 643 N GLY A 46 64.222 7.848 -22.196 1.00 0.00 N ATOM 644 CA GLY A 46 64.352 6.888 -21.106 1.00 0.00 C ATOM 645 C GLY A 46 64.487 7.602 -19.772 1.00 0.00 C ATOM 646 O GLY A 46 64.911 8.756 -19.711 1.00 0.00 O ATOM 0 H GLY A 46 64.696 8.736 -22.035 1.00 0.00 H new ATOM 0 HA2 GLY A 46 63.481 6.233 -21.087 1.00 0.00 H new ATOM 0 HA3 GLY A 46 65.223 6.255 -21.275 1.00 0.00 H new ATOM 650 N CYS A 47 64.112 6.909 -18.703 1.00 0.00 N ATOM 651 CA CYS A 47 64.171 7.473 -17.357 1.00 0.00 C ATOM 652 C CYS A 47 65.192 6.716 -16.512 1.00 0.00 C ATOM 653 O CYS A 47 65.140 5.490 -16.408 1.00 0.00 O ATOM 654 CB CYS A 47 62.782 7.371 -16.714 1.00 0.00 C ATOM 655 SG CYS A 47 62.019 5.805 -17.208 1.00 0.00 S ATOM 0 H CYS A 47 63.762 5.952 -18.741 1.00 0.00 H new ATOM 0 HA CYS A 47 64.476 8.518 -17.413 1.00 0.00 H new ATOM 0 HB2 CYS A 47 62.865 7.424 -15.628 1.00 0.00 H new ATOM 0 HB3 CYS A 47 62.159 8.209 -17.027 1.00 0.00 H new ATOM 660 N LEU A 48 66.098 7.461 -15.880 1.00 0.00 N ATOM 661 CA LEU A 48 67.108 6.864 -15.007 1.00 0.00 C ATOM 662 C LEU A 48 67.186 7.641 -13.701 1.00 0.00 C ATOM 663 O LEU A 48 66.826 8.817 -13.645 1.00 0.00 O ATOM 664 CB LEU A 48 68.484 6.861 -15.688 1.00 0.00 C ATOM 665 CG LEU A 48 68.820 8.270 -16.275 1.00 0.00 C ATOM 666 CD1 LEU A 48 70.131 8.798 -15.674 1.00 0.00 C ATOM 667 CD2 LEU A 48 68.984 8.189 -17.800 1.00 0.00 C ATOM 0 H LEU A 48 66.153 8.477 -15.956 1.00 0.00 H new ATOM 0 HA LEU A 48 66.819 5.833 -14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 69.249 6.571 -14.968 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.498 6.118 -16.485 1.00 0.00 H new ATOM 0 HG LEU A 48 67.999 8.942 -16.026 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.353 9.780 -16.092 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.029 8.878 -14.592 1.00 0.00 H new ATOM 0 HD13 LEU A 48 70.943 8.111 -15.912 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.218 9.178 -18.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 69.794 7.501 -18.043 1.00 0.00 H new ATOM 0 HD23 LEU A 48 68.057 7.830 -18.247 1.00 0.00 H new ATOM 679 N CYS A 49 67.630 6.970 -12.650 1.00 0.00 N ATOM 680 CA CYS A 49 67.728 7.598 -11.338 1.00 0.00 C ATOM 681 C CYS A 49 68.520 8.918 -11.436 1.00 0.00 C ATOM 682 O CYS A 49 69.309 9.099 -12.364 1.00 0.00 O ATOM 683 CB CYS A 49 68.400 6.611 -10.365 1.00 0.00 C ATOM 684 SG CYS A 49 67.139 5.738 -9.396 1.00 0.00 S ATOM 0 H CYS A 49 67.928 5.995 -12.677 1.00 0.00 H new ATOM 0 HA CYS A 49 66.733 7.841 -10.964 1.00 0.00 H new ATOM 0 HB2 CYS A 49 69.004 5.894 -10.921 1.00 0.00 H new ATOM 0 HB3 CYS A 49 69.075 7.148 -9.699 1.00 0.00 H new ATOM 689 N PRO A 50 68.319 9.841 -10.516 1.00 0.00 N ATOM 690 CA PRO A 50 69.024 11.157 -10.533 1.00 0.00 C ATOM 691 C PRO A 50 70.518 11.010 -10.875 1.00 0.00 C ATOM 692 O PRO A 50 71.103 9.953 -10.645 1.00 0.00 O ATOM 693 CB PRO A 50 68.836 11.706 -9.108 1.00 0.00 C ATOM 694 CG PRO A 50 67.618 11.019 -8.556 1.00 0.00 C ATOM 695 CD PRO A 50 67.408 9.728 -9.370 1.00 0.00 C ATOM 0 HA PRO A 50 68.622 11.821 -11.299 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.712 11.501 -8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.701 12.788 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 50 67.753 10.789 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.745 11.667 -8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.635 8.845 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.373 9.634 -9.698 1.00 0.00 H new ATOM 703 N PRO A 51 71.146 12.039 -11.408 1.00 0.00 N ATOM 704 CA PRO A 51 72.601 11.985 -11.764 1.00 0.00 C ATOM 705 C PRO A 51 73.487 11.418 -10.642 1.00 0.00 C ATOM 706 O PRO A 51 74.348 10.577 -10.892 1.00 0.00 O ATOM 707 CB PRO A 51 72.970 13.455 -12.037 1.00 0.00 C ATOM 708 CG PRO A 51 71.687 14.143 -12.399 1.00 0.00 C ATOM 709 CD PRO A 51 70.546 13.348 -11.748 1.00 0.00 C ATOM 0 HA PRO A 51 72.767 11.319 -12.610 1.00 0.00 H new ATOM 0 HB2 PRO A 51 73.424 13.913 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 51 73.696 13.531 -12.847 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.689 15.173 -12.044 1.00 0.00 H new ATOM 0 HG3 PRO A 51 71.562 14.179 -13.481 1.00 0.00 H new ATOM 0 HD2 PRO A 51 70.168 13.853 -10.859 1.00 0.00 H new ATOM 0 HD3 PRO A 51 69.704 13.232 -12.431 1.00 0.00 H new ATOM 717 N GLY A 52 73.299 11.911 -9.419 1.00 0.00 N ATOM 718 CA GLY A 52 74.124 11.470 -8.290 1.00 0.00 C ATOM 719 C GLY A 52 73.662 10.120 -7.759 1.00 0.00 C ATOM 720 O GLY A 52 74.197 9.616 -6.771 1.00 0.00 O ATOM 0 H GLY A 52 72.592 12.608 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 52 75.166 11.402 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.078 12.212 -7.492 1.00 0.00 H new ATOM 724 N MET A 53 72.676 9.540 -8.422 1.00 0.00 N ATOM 725 CA MET A 53 72.153 8.234 -8.009 1.00 0.00 C ATOM 726 C MET A 53 72.101 7.281 -9.206 1.00 0.00 C ATOM 727 O MET A 53 72.267 7.704 -10.350 1.00 0.00 O ATOM 728 CB MET A 53 70.769 8.428 -7.373 1.00 0.00 C ATOM 729 CG MET A 53 70.413 7.249 -6.456 1.00 0.00 C ATOM 730 SD MET A 53 69.014 7.736 -5.406 1.00 0.00 S ATOM 731 CE MET A 53 69.414 6.772 -3.922 1.00 0.00 C ATOM 0 H MET A 53 72.220 9.942 -9.241 1.00 0.00 H new ATOM 0 HA MET A 53 72.813 7.784 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.755 9.355 -6.800 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.016 8.525 -8.155 1.00 0.00 H new ATOM 0 HG2 MET A 53 70.154 6.373 -7.050 1.00 0.00 H new ATOM 0 HG3 MET A 53 71.270 6.975 -5.841 1.00 0.00 H new ATOM 0 HE1 MET A 53 68.852 7.161 -3.073 1.00 0.00 H new ATOM 0 HE2 MET A 53 69.149 5.727 -4.084 1.00 0.00 H new ATOM 0 HE3 MET A 53 70.482 6.847 -3.716 1.00 0.00 H new ATOM 741 N VAL A 54 71.924 5.983 -8.932 1.00 0.00 N ATOM 742 CA VAL A 54 71.915 4.962 -9.996 1.00 0.00 C ATOM 743 C VAL A 54 70.702 4.060 -9.862 1.00 0.00 C ATOM 744 O VAL A 54 70.047 4.026 -8.819 1.00 0.00 O ATOM 745 CB VAL A 54 73.169 4.093 -9.892 1.00 0.00 C ATOM 746 CG1 VAL A 54 74.411 4.976 -9.976 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.148 3.317 -8.562 1.00 0.00 C ATOM 0 H VAL A 54 71.786 5.613 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 54 71.886 5.477 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 54 73.191 3.379 -10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.304 4.356 -9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 54 74.416 5.507 -10.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.401 5.697 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.042 2.698 -8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.125 4.021 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 54 72.263 2.682 -8.525 1.00 0.00 H new ATOM 757 N ARG A 55 70.420 3.315 -10.926 1.00 0.00 N ATOM 758 CA ARG A 55 69.294 2.389 -10.926 1.00 0.00 C ATOM 759 C ARG A 55 69.780 1.002 -10.472 1.00 0.00 C ATOM 760 O ARG A 55 70.605 0.388 -11.147 1.00 0.00 O ATOM 761 CB ARG A 55 68.717 2.256 -12.363 1.00 0.00 C ATOM 762 CG ARG A 55 67.173 2.303 -12.316 1.00 0.00 C ATOM 763 CD ARG A 55 66.546 1.701 -13.586 1.00 0.00 C ATOM 764 NE ARG A 55 65.183 1.245 -13.282 1.00 0.00 N ATOM 765 CZ ARG A 55 64.831 -0.049 -13.285 1.00 0.00 C ATOM 766 NH1 ARG A 55 65.690 -0.987 -13.600 1.00 0.00 N ATOM 767 NH2 ARG A 55 63.611 -0.383 -12.966 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.953 3.334 -11.795 1.00 0.00 H new ATOM 0 HA ARG A 55 68.525 2.766 -10.251 1.00 0.00 H new ATOM 0 HB2 ARG A 55 69.095 3.062 -12.992 1.00 0.00 H new ATOM 0 HB3 ARG A 55 69.048 1.319 -12.812 1.00 0.00 H new ATOM 0 HG2 ARG A 55 66.819 1.757 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 55 66.844 3.336 -12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 55 66.524 2.444 -14.383 1.00 0.00 H new ATOM 0 HD3 ARG A 55 67.150 0.867 -13.944 1.00 0.00 H new ATOM 0 HE ARG A 55 64.473 1.943 -13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 55 66.647 -0.739 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 55 65.401 -1.965 -13.596 1.00 0.00 H new ATOM 0 HH21 ARG A 55 62.934 0.338 -12.717 1.00 0.00 H new ATOM 0 HH22 ARG A 55 63.335 -1.365 -12.966 1.00 0.00 H new ATOM 781 N HIS A 56 69.248 0.489 -9.364 1.00 0.00 N ATOM 782 CA HIS A 56 69.630 -0.848 -8.902 1.00 0.00 C ATOM 783 C HIS A 56 68.397 -1.581 -8.363 1.00 0.00 C ATOM 784 O HIS A 56 67.464 -0.957 -7.872 1.00 0.00 O ATOM 785 CB HIS A 56 70.730 -0.743 -7.824 1.00 0.00 C ATOM 786 CG HIS A 56 71.713 -1.885 -7.957 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.793 -1.830 -8.827 1.00 0.00 N ATOM 788 CD2 HIS A 56 71.790 -3.112 -7.345 1.00 0.00 C ATOM 789 CE1 HIS A 56 73.466 -2.989 -8.714 1.00 0.00 C ATOM 790 NE2 HIS A 56 72.897 -3.807 -7.824 1.00 0.00 N ATOM 0 H HIS A 56 68.564 0.967 -8.778 1.00 0.00 H new ATOM 0 HA HIS A 56 70.032 -1.420 -9.739 1.00 0.00 H new ATOM 0 HB2 HIS A 56 71.253 0.208 -7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 56 70.278 -0.758 -6.832 1.00 0.00 H new ATOM 0 HD2 HIS A 56 71.097 -3.482 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 56 74.358 -3.229 -9.274 1.00 0.00 H new ATOM 0 HE2 HIS A 56 73.207 -4.740 -7.554 1.00 0.00 H new ATOM 798 N GLU A 57 68.409 -2.901 -8.495 1.00 0.00 N ATOM 799 CA GLU A 57 67.285 -3.742 -8.063 1.00 0.00 C ATOM 800 C GLU A 57 65.931 -3.077 -8.357 1.00 0.00 C ATOM 801 O GLU A 57 64.987 -3.221 -7.583 1.00 0.00 O ATOM 802 CB GLU A 57 67.379 -4.079 -6.572 1.00 0.00 C ATOM 803 CG GLU A 57 67.351 -2.807 -5.717 1.00 0.00 C ATOM 804 CD GLU A 57 67.031 -3.163 -4.271 1.00 0.00 C ATOM 805 OE1 GLU A 57 67.104 -4.339 -3.943 1.00 0.00 O ATOM 806 OE2 GLU A 57 66.726 -2.262 -3.510 1.00 0.00 O1- ATOM 0 H GLU A 57 69.187 -3.421 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 57 67.349 -4.666 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 66.551 -4.729 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 57 68.298 -4.631 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 57 68.314 -2.300 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 57 66.604 -2.114 -6.104 1.00 0.00 H new ATOM 813 N ASN A 58 65.864 -2.357 -9.479 1.00 0.00 N ATOM 814 CA ASN A 58 64.635 -1.668 -9.917 1.00 0.00 C ATOM 815 C ASN A 58 64.218 -0.538 -8.976 1.00 0.00 C ATOM 816 O ASN A 58 63.083 -0.063 -9.038 1.00 0.00 O ATOM 817 CB ASN A 58 63.467 -2.652 -10.052 1.00 0.00 C ATOM 818 CG ASN A 58 63.745 -3.645 -11.172 1.00 0.00 C ATOM 819 OD1 ASN A 58 64.867 -4.136 -11.304 1.00 0.00 O ATOM 820 ND2 ASN A 58 62.785 -3.969 -11.993 1.00 0.00 N ATOM 0 H ASN A 58 66.654 -2.232 -10.112 1.00 0.00 H new ATOM 0 HA ASN A 58 64.872 -1.233 -10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 58 63.319 -3.184 -9.112 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.545 -2.108 -10.258 1.00 0.00 H new ATOM 0 HD21 ASN A 58 62.962 -4.631 -12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 58 61.857 -3.560 -11.880 1.00 0.00 H new ATOM 827 N ARG A 59 65.137 -0.076 -8.137 1.00 0.00 N ATOM 828 CA ARG A 59 64.859 1.034 -7.226 1.00 0.00 C ATOM 829 C ARG A 59 66.069 1.958 -7.205 1.00 0.00 C ATOM 830 O ARG A 59 67.128 1.621 -7.732 1.00 0.00 O ATOM 831 CB ARG A 59 64.518 0.489 -5.803 1.00 0.00 C ATOM 832 CG ARG A 59 65.685 0.645 -4.805 1.00 0.00 C ATOM 833 CD ARG A 59 65.254 0.127 -3.432 1.00 0.00 C ATOM 834 NE ARG A 59 64.255 1.021 -2.847 1.00 0.00 N ATOM 835 CZ ARG A 59 64.588 2.234 -2.402 1.00 0.00 C ATOM 836 NH1 ARG A 59 65.814 2.664 -2.525 1.00 0.00 N ATOM 837 NH2 ARG A 59 63.684 3.000 -1.852 1.00 0.00 N1+ ATOM 0 H ARG A 59 66.083 -0.451 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 59 63.993 1.600 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.644 1.015 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 59 64.249 -0.565 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 59 66.555 0.092 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 59 65.980 1.692 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 59 64.843 -0.878 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 59 66.120 0.056 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 59 63.286 0.711 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 59 66.521 2.072 -2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 59 66.066 3.592 -2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 59 62.723 2.671 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 59 63.939 3.927 -1.512 1.00 0.00 H new ATOM 851 N CYS A 60 65.910 3.125 -6.601 1.00 0.00 N ATOM 852 CA CYS A 60 66.996 4.087 -6.523 1.00 0.00 C ATOM 853 C CYS A 60 67.867 3.806 -5.296 1.00 0.00 C ATOM 854 O CYS A 60 67.374 3.749 -4.171 1.00 0.00 O ATOM 855 CB CYS A 60 66.394 5.504 -6.449 1.00 0.00 C ATOM 856 SG CYS A 60 67.263 6.612 -7.581 1.00 0.00 S ATOM 0 H CYS A 60 65.042 3.428 -6.159 1.00 0.00 H new ATOM 0 HA CYS A 60 67.628 4.005 -7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 60 65.335 5.471 -6.703 1.00 0.00 H new ATOM 0 HB3 CYS A 60 66.465 5.884 -5.430 1.00 0.00 H new ATOM 861 N VAL A 61 69.172 3.644 -5.530 1.00 0.00 N ATOM 862 CA VAL A 61 70.121 3.379 -4.445 1.00 0.00 C ATOM 863 C VAL A 61 71.326 4.308 -4.546 1.00 0.00 C ATOM 864 O VAL A 61 71.842 4.557 -5.637 1.00 0.00 O ATOM 865 CB VAL A 61 70.587 1.916 -4.478 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.570 1.694 -5.633 1.00 0.00 C ATOM 867 CG2 VAL A 61 71.269 1.567 -3.154 1.00 0.00 C ATOM 0 H VAL A 61 69.594 3.691 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 61 69.612 3.565 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 61 69.719 1.274 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 61 71.891 0.652 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.081 1.932 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 72.438 2.340 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 61 71.600 0.529 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 61 72.130 2.219 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 61 70.564 1.705 -2.334 1.00 0.00 H new ATOM 877 N ALA A 62 71.777 4.807 -3.402 1.00 0.00 N ATOM 878 CA ALA A 62 72.930 5.696 -3.372 1.00 0.00 C ATOM 879 C ALA A 62 74.227 4.907 -3.589 1.00 0.00 C ATOM 880 O ALA A 62 74.241 3.676 -3.559 1.00 0.00 O ATOM 881 CB ALA A 62 72.966 6.466 -2.037 1.00 0.00 C ATOM 0 H ALA A 62 71.365 4.613 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 62 72.841 6.418 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 62 73.831 7.129 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 62 72.055 7.056 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 62 73.037 5.759 -1.211 1.00 0.00 H new ATOM 887 N LEU A 63 75.283 5.644 -3.912 1.00 0.00 N ATOM 888 CA LEU A 63 76.573 5.047 -4.255 1.00 0.00 C ATOM 889 C LEU A 63 77.163 4.242 -3.094 1.00 0.00 C ATOM 890 O LEU A 63 77.223 3.013 -3.151 1.00 0.00 O ATOM 891 CB LEU A 63 77.570 6.154 -4.648 1.00 0.00 C ATOM 892 CG LEU A 63 76.920 7.177 -5.646 1.00 0.00 C ATOM 893 CD1 LEU A 63 77.303 8.626 -5.285 1.00 0.00 C ATOM 894 CD2 LEU A 63 77.380 6.894 -7.089 1.00 0.00 C ATOM 0 H LEU A 63 75.273 6.663 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 63 76.403 4.367 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.906 6.678 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.452 5.706 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 63 75.839 7.059 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 63 76.839 9.312 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 63 76.955 8.854 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.386 8.738 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.919 7.613 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.465 6.983 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 63 77.082 5.885 -7.374 1.00 0.00 H new ATOM 906 N GLU A 64 77.656 4.941 -2.070 1.00 0.00 N ATOM 907 CA GLU A 64 78.306 4.275 -0.939 1.00 0.00 C ATOM 908 C GLU A 64 77.425 3.156 -0.369 1.00 0.00 C ATOM 909 O GLU A 64 77.918 2.256 0.311 1.00 0.00 O ATOM 910 CB GLU A 64 78.655 5.300 0.187 1.00 0.00 C ATOM 911 CG GLU A 64 78.112 6.701 -0.142 1.00 0.00 C ATOM 912 CD GLU A 64 78.994 7.382 -1.187 1.00 0.00 C ATOM 913 OE1 GLU A 64 80.195 7.171 -1.147 1.00 0.00 O ATOM 914 OE2 GLU A 64 78.457 8.113 -2.003 1.00 0.00 O1- ATOM 0 H GLU A 64 77.619 5.958 -2.000 1.00 0.00 H new ATOM 0 HA GLU A 64 79.230 3.832 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 64 78.237 4.959 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 64 79.736 5.348 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 77.090 6.624 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 78.077 7.306 0.764 1.00 0.00 H new ATOM 921 N ARG A 65 76.124 3.240 -0.613 1.00 0.00 N ATOM 922 CA ARG A 65 75.179 2.256 -0.080 1.00 0.00 C ATOM 923 C ARG A 65 75.118 1.018 -0.972 1.00 0.00 C ATOM 924 O ARG A 65 74.488 0.017 -0.632 1.00 0.00 O ATOM 925 CB ARG A 65 73.800 2.916 0.035 1.00 0.00 C ATOM 926 CG ARG A 65 72.841 2.054 0.867 1.00 0.00 C ATOM 927 CD ARG A 65 73.365 1.896 2.306 1.00 0.00 C ATOM 928 NE ARG A 65 72.274 2.101 3.253 1.00 0.00 N ATOM 929 CZ ARG A 65 72.481 2.049 4.565 1.00 0.00 C ATOM 930 NH1 ARG A 65 73.654 1.718 5.030 1.00 0.00 N ATOM 931 NH2 ARG A 65 71.504 2.319 5.387 1.00 0.00 N1+ ATOM 0 H ARG A 65 75.695 3.976 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 65 75.511 1.927 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 65 73.901 3.899 0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 65 73.384 3.071 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 65 71.852 2.512 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 65 72.731 1.073 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 65 73.794 0.903 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 65 74.162 2.615 2.494 1.00 0.00 H new ATOM 0 HE ARG A 65 71.335 2.288 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 65 74.414 1.499 4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 65 73.811 1.679 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 65 70.585 2.569 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 65 71.660 2.280 6.394 1.00 0.00 H new ATOM 945 N CYS A 66 75.796 1.087 -2.097 1.00 0.00 N ATOM 946 CA CYS A 66 75.827 -0.039 -3.026 1.00 0.00 C ATOM 947 C CYS A 66 76.365 -1.295 -2.314 1.00 0.00 C ATOM 948 O CYS A 66 77.332 -1.200 -1.559 1.00 0.00 O ATOM 949 CB CYS A 66 76.728 0.297 -4.216 1.00 0.00 C ATOM 950 SG CYS A 66 75.864 1.443 -5.319 1.00 0.00 S ATOM 0 H CYS A 66 76.332 1.902 -2.396 1.00 0.00 H new ATOM 0 HA CYS A 66 74.814 -0.233 -3.380 1.00 0.00 H new ATOM 0 HB2 CYS A 66 77.659 0.743 -3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 66 76.993 -0.613 -4.754 1.00 0.00 H new ATOM 955 N PRO A 67 75.769 -2.459 -2.513 1.00 0.00 N ATOM 956 CA PRO A 67 76.232 -3.713 -1.843 1.00 0.00 C ATOM 957 C PRO A 67 77.462 -4.329 -2.512 1.00 0.00 C ATOM 958 O PRO A 67 77.865 -3.928 -3.605 1.00 0.00 O ATOM 959 CB PRO A 67 75.017 -4.637 -1.949 1.00 0.00 C ATOM 960 CG PRO A 67 74.348 -4.233 -3.223 1.00 0.00 C ATOM 961 CD PRO A 67 74.604 -2.726 -3.387 1.00 0.00 C ATOM 0 HA PRO A 67 76.554 -3.533 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 67 75.316 -5.685 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 67 74.351 -4.516 -1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 67 74.753 -4.790 -4.068 1.00 0.00 H new ATOM 0 HG3 PRO A 67 73.279 -4.444 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 67 74.817 -2.469 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 67 73.736 -2.139 -3.085 1.00 0.00 H new ATOM 969 N CYS A 68 78.046 -5.317 -1.833 1.00 0.00 N ATOM 970 CA CYS A 68 79.229 -6.016 -2.338 1.00 0.00 C ATOM 971 C CYS A 68 78.826 -7.294 -3.068 1.00 0.00 C ATOM 972 O CYS A 68 77.868 -7.964 -2.681 1.00 0.00 O ATOM 973 CB CYS A 68 80.175 -6.344 -1.157 1.00 0.00 C ATOM 974 SG CYS A 68 81.781 -5.536 -1.401 1.00 0.00 S ATOM 0 H CYS A 68 77.717 -5.653 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 68 79.749 -5.372 -3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 68 79.729 -6.009 -0.220 1.00 0.00 H new ATOM 0 HB3 CYS A 68 80.310 -7.423 -1.078 1.00 0.00 H new ATOM 979 N PHE A 69 79.575 -7.633 -4.118 1.00 0.00 N ATOM 980 CA PHE A 69 79.303 -8.843 -4.895 1.00 0.00 C ATOM 981 C PHE A 69 80.550 -9.720 -4.942 1.00 0.00 C ATOM 982 O PHE A 69 81.602 -9.300 -5.426 1.00 0.00 O ATOM 983 CB PHE A 69 78.873 -8.448 -6.316 1.00 0.00 C ATOM 984 CG PHE A 69 78.479 -9.674 -7.120 1.00 0.00 C ATOM 985 CD1 PHE A 69 77.442 -10.513 -6.674 1.00 0.00 C ATOM 986 CD2 PHE A 69 79.143 -9.970 -8.321 1.00 0.00 C ATOM 987 CE1 PHE A 69 77.079 -11.637 -7.422 1.00 0.00 C ATOM 988 CE2 PHE A 69 78.774 -11.096 -9.067 1.00 0.00 C ATOM 989 CZ PHE A 69 77.745 -11.930 -8.617 1.00 0.00 C ATOM 0 H PHE A 69 80.372 -7.089 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 69 78.499 -9.408 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 69 78.034 -7.754 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 69 79.689 -7.926 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 69 76.925 -10.289 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 69 79.939 -9.329 -8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 69 76.283 -12.280 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 69 79.285 -11.321 -9.992 1.00 0.00 H new ATOM 0 HZ PHE A 69 77.465 -12.800 -9.192 1.00 0.00 H new ATOM 999 N HIS A 70 80.427 -10.932 -4.406 1.00 0.00 N ATOM 1000 CA HIS A 70 81.550 -11.861 -4.363 1.00 0.00 C ATOM 1001 C HIS A 70 81.067 -13.274 -4.029 1.00 0.00 C ATOM 1002 O HIS A 70 80.226 -13.468 -3.152 1.00 0.00 O ATOM 1003 CB HIS A 70 82.572 -11.385 -3.319 1.00 0.00 C ATOM 1004 CG HIS A 70 83.602 -12.457 -3.061 1.00 0.00 C ATOM 1005 ND1 HIS A 70 83.589 -13.221 -1.905 1.00 0.00 N ATOM 1006 CD2 HIS A 70 84.679 -12.899 -3.790 1.00 0.00 C ATOM 1007 CE1 HIS A 70 84.628 -14.075 -1.969 1.00 0.00 C ATOM 1008 NE2 HIS A 70 85.326 -13.920 -3.097 1.00 0.00 N ATOM 0 H HIS A 70 79.564 -11.291 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 70 82.025 -11.888 -5.344 1.00 0.00 H new ATOM 0 HB2 HIS A 70 83.063 -10.477 -3.670 1.00 0.00 H new ATOM 0 HB3 HIS A 70 82.061 -11.132 -2.390 1.00 0.00 H new ATOM 0 HD2 HIS A 70 84.979 -12.514 -4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 70 84.868 -14.797 -1.202 1.00 0.00 H new ATOM 0 HE2 HIS A 70 86.155 -14.438 -3.389 1.00 0.00 H new ATOM 1016 N GLN A 71 81.632 -14.253 -4.727 1.00 0.00 N ATOM 1017 CA GLN A 71 81.295 -15.656 -4.506 1.00 0.00 C ATOM 1018 C GLN A 71 79.815 -15.923 -4.801 1.00 0.00 C ATOM 1019 O GLN A 71 79.254 -16.920 -4.348 1.00 0.00 O ATOM 1020 CB GLN A 71 81.632 -16.056 -3.059 1.00 0.00 C ATOM 1021 CG GLN A 71 81.858 -17.575 -2.957 1.00 0.00 C ATOM 1022 CD GLN A 71 82.519 -17.914 -1.625 1.00 0.00 C ATOM 1023 OE1 GLN A 71 83.278 -18.880 -1.538 1.00 0.00 O ATOM 1024 NE2 GLN A 71 82.280 -17.174 -0.579 1.00 0.00 N ATOM 0 H GLN A 71 82.330 -14.100 -5.455 1.00 0.00 H new ATOM 0 HA GLN A 71 81.888 -16.262 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 71 82.526 -15.527 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 71 80.821 -15.758 -2.395 1.00 0.00 H new ATOM 0 HG2 GLN A 71 80.907 -18.100 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 71 82.486 -17.914 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 71 81.651 -16.374 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 71 82.722 -17.395 0.313 1.00 0.00 H new ATOM 1033 N GLY A 72 79.212 -15.057 -5.611 1.00 0.00 N ATOM 1034 CA GLY A 72 77.820 -15.242 -6.026 1.00 0.00 C ATOM 1035 C GLY A 72 76.826 -14.687 -5.009 1.00 0.00 C ATOM 1036 O GLY A 72 75.646 -14.529 -5.320 1.00 0.00 O ATOM 0 H GLY A 72 79.660 -14.224 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 72 77.663 -14.752 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 72 77.627 -16.304 -6.175 1.00 0.00 H new ATOM 1040 N LYS A 73 77.288 -14.398 -3.792 1.00 0.00 N ATOM 1041 CA LYS A 73 76.398 -13.876 -2.751 1.00 0.00 C ATOM 1042 C LYS A 73 76.467 -12.350 -2.702 1.00 0.00 C ATOM 1043 O LYS A 73 77.513 -11.754 -2.962 1.00 0.00 O ATOM 1044 CB LYS A 73 76.794 -14.474 -1.373 1.00 0.00 C ATOM 1045 CG LYS A 73 75.639 -15.306 -0.799 1.00 0.00 C ATOM 1046 CD LYS A 73 76.086 -15.996 0.494 1.00 0.00 C ATOM 1047 CE LYS A 73 75.099 -17.108 0.862 1.00 0.00 C ATOM 1048 NZ LYS A 73 73.696 -16.657 0.622 1.00 0.00 N1+ ATOM 0 H LYS A 73 78.260 -14.514 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 73 75.374 -14.166 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.681 -15.098 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.051 -13.672 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 73 74.780 -14.664 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 73 75.319 -16.051 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 73 77.085 -16.413 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 73 76.145 -15.268 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 73 75.308 -17.999 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 73 75.225 -17.384 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 73.041 -17.261 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 73.590 -15.670 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 73.478 -16.724 -0.393 1.00 0.00 H new ATOM 1062 N GLU A 74 75.343 -11.731 -2.345 1.00 0.00 N ATOM 1063 CA GLU A 74 75.261 -10.276 -2.230 1.00 0.00 C ATOM 1064 C GLU A 74 74.859 -9.894 -0.816 1.00 0.00 C ATOM 1065 O GLU A 74 73.879 -10.409 -0.281 1.00 0.00 O ATOM 1066 CB GLU A 74 74.229 -9.722 -3.220 1.00 0.00 C ATOM 1067 CG GLU A 74 72.868 -10.455 -3.054 1.00 0.00 C ATOM 1068 CD GLU A 74 72.245 -10.762 -4.418 1.00 0.00 C ATOM 1069 OE1 GLU A 74 72.478 -9.997 -5.340 1.00 0.00 O1- ATOM 1070 OE2 GLU A 74 71.552 -11.761 -4.517 1.00 0.00 O ATOM 0 H GLU A 74 74.473 -12.217 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 74 76.239 -9.852 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 74 74.096 -8.653 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.593 -9.844 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.014 -11.382 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.187 -9.838 -2.469 1.00 0.00 H new ATOM 1077 N TYR A 75 75.597 -8.961 -0.220 1.00 0.00 N ATOM 1078 CA TYR A 75 75.278 -8.495 1.129 1.00 0.00 C ATOM 1079 C TYR A 75 75.690 -7.023 1.266 1.00 0.00 C ATOM 1080 O TYR A 75 76.259 -6.444 0.341 1.00 0.00 O ATOM 1081 CB TYR A 75 76.013 -9.363 2.181 1.00 0.00 C ATOM 1082 CG TYR A 75 75.137 -9.709 3.392 1.00 0.00 C ATOM 1083 CD1 TYR A 75 74.056 -8.896 3.805 1.00 0.00 C ATOM 1084 CD2 TYR A 75 75.435 -10.870 4.120 1.00 0.00 C ATOM 1085 CE1 TYR A 75 73.298 -9.252 4.924 1.00 0.00 C ATOM 1086 CE2 TYR A 75 74.670 -11.219 5.238 1.00 0.00 C ATOM 1087 CZ TYR A 75 73.603 -10.410 5.639 1.00 0.00 C ATOM 1088 OH TYR A 75 72.851 -10.754 6.744 1.00 0.00 O ATOM 0 H TYR A 75 76.412 -8.516 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 75 74.205 -8.585 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 75 76.352 -10.285 1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 75 76.903 -8.834 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 75 73.816 -7.998 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 75 76.259 -11.498 3.816 1.00 0.00 H new ATOM 0 HE1 TYR A 75 72.473 -8.628 5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 75 74.904 -12.116 5.793 1.00 0.00 H new ATOM 0 HH TYR A 75 73.194 -11.588 7.126 1.00 0.00 H new ATOM 1098 N ALA A 76 75.419 -6.430 2.430 1.00 0.00 N ATOM 1099 CA ALA A 76 75.776 -5.037 2.690 1.00 0.00 C ATOM 1100 C ALA A 76 76.932 -4.982 3.702 1.00 0.00 C ATOM 1101 O ALA A 76 77.162 -5.945 4.435 1.00 0.00 O ATOM 1102 CB ALA A 76 74.537 -4.292 3.239 1.00 0.00 C ATOM 0 H ALA A 76 74.952 -6.895 3.208 1.00 0.00 H new ATOM 0 HA ALA A 76 76.100 -4.556 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.796 -3.252 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 76 73.733 -4.334 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.208 -4.765 4.164 1.00 0.00 H new ATOM 1108 N PRO A 77 77.648 -3.885 3.765 1.00 0.00 N ATOM 1109 CA PRO A 77 78.783 -3.732 4.723 1.00 0.00 C ATOM 1110 C PRO A 77 78.429 -4.241 6.126 1.00 0.00 C ATOM 1111 O PRO A 77 77.388 -3.893 6.682 1.00 0.00 O ATOM 1112 CB PRO A 77 79.036 -2.214 4.743 1.00 0.00 C ATOM 1113 CG PRO A 77 78.504 -1.682 3.440 1.00 0.00 C ATOM 1114 CD PRO A 77 77.465 -2.690 2.921 1.00 0.00 C ATOM 0 HA PRO A 77 79.654 -4.314 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 77 78.532 -1.747 5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 77 80.099 -1.998 4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 77 78.049 -0.702 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.311 -1.557 2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 77 76.453 -2.295 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 77 77.628 -2.920 1.868 1.00 0.00 H new ATOM 1122 N GLY A 78 79.310 -5.079 6.682 1.00 0.00 N ATOM 1123 CA GLY A 78 79.101 -5.662 8.015 1.00 0.00 C ATOM 1124 C GLY A 78 79.161 -7.185 7.945 1.00 0.00 C ATOM 1125 O GLY A 78 79.365 -7.856 8.955 1.00 0.00 O ATOM 0 H GLY A 78 80.177 -5.370 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 78 79.861 -5.293 8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 78 78.135 -5.348 8.409 1.00 0.00 H new ATOM 1129 N GLU A 79 79.010 -7.716 6.740 1.00 0.00 N ATOM 1130 CA GLU A 79 79.087 -9.162 6.547 1.00 0.00 C ATOM 1131 C GLU A 79 80.549 -9.600 6.584 1.00 0.00 C ATOM 1132 O GLU A 79 81.443 -8.870 6.156 1.00 0.00 O ATOM 1133 CB GLU A 79 78.394 -9.558 5.213 1.00 0.00 C ATOM 1134 CG GLU A 79 79.406 -9.755 4.067 1.00 0.00 C ATOM 1135 CD GLU A 79 80.253 -8.500 3.893 1.00 0.00 C ATOM 1136 OE1 GLU A 79 79.841 -7.461 4.378 1.00 0.00 O ATOM 1137 OE2 GLU A 79 81.299 -8.597 3.270 1.00 0.00 O1- ATOM 0 H GLU A 79 78.836 -7.179 5.891 1.00 0.00 H new ATOM 0 HA GLU A 79 78.561 -9.676 7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 79 77.829 -10.479 5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 79 77.678 -8.785 4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 79 80.048 -10.609 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 79 78.878 -9.978 3.140 1.00 0.00 H new ATOM 1144 N THR A 80 80.785 -10.800 7.095 1.00 0.00 N ATOM 1145 CA THR A 80 82.135 -11.345 7.172 1.00 0.00 C ATOM 1146 C THR A 80 82.245 -12.550 6.256 1.00 0.00 C ATOM 1147 O THR A 80 81.518 -13.532 6.416 1.00 0.00 O ATOM 1148 CB THR A 80 82.435 -11.775 8.615 1.00 0.00 C ATOM 1149 OG1 THR A 80 81.577 -12.854 8.966 1.00 0.00 O ATOM 1150 CG2 THR A 80 82.206 -10.604 9.595 1.00 0.00 C ATOM 0 H THR A 80 80.060 -11.416 7.463 1.00 0.00 H new ATOM 0 HA THR A 80 82.851 -10.583 6.864 1.00 0.00 H new ATOM 0 HB THR A 80 83.478 -12.084 8.679 1.00 0.00 H new ATOM 0 HG1 THR A 80 81.176 -13.231 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 80 82.425 -10.932 10.611 1.00 0.00 H new ATOM 0 HG22 THR A 80 82.863 -9.775 9.332 1.00 0.00 H new ATOM 0 HG23 THR A 80 81.168 -10.277 9.535 1.00 0.00 H new ATOM 1158 N VAL A 81 83.209 -12.501 5.348 1.00 0.00 N ATOM 1159 CA VAL A 81 83.478 -13.629 4.463 1.00 0.00 C ATOM 1160 C VAL A 81 84.787 -14.229 4.917 1.00 0.00 C ATOM 1161 O VAL A 81 85.756 -13.506 5.150 1.00 0.00 O ATOM 1162 CB VAL A 81 83.567 -13.166 2.999 1.00 0.00 C ATOM 1163 CG1 VAL A 81 84.199 -14.274 2.121 1.00 0.00 C ATOM 1164 CG2 VAL A 81 82.151 -12.847 2.496 1.00 0.00 C ATOM 0 H VAL A 81 83.817 -11.695 5.204 1.00 0.00 H new ATOM 0 HA VAL A 81 82.674 -14.364 4.511 1.00 0.00 H new ATOM 0 HB VAL A 81 84.195 -12.277 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 81 84.255 -13.932 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.202 -14.498 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 81 83.585 -15.173 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 81 82.199 -12.517 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 81 81.531 -13.741 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 81 81.717 -12.056 3.108 1.00 0.00 H new ATOM 1174 N LYS A 82 84.784 -15.535 5.159 1.00 0.00 N ATOM 1175 CA LYS A 82 85.953 -16.197 5.724 1.00 0.00 C ATOM 1176 C LYS A 82 86.609 -17.123 4.710 1.00 0.00 C ATOM 1177 O LYS A 82 86.145 -18.243 4.495 1.00 0.00 O ATOM 1178 CB LYS A 82 85.527 -17.038 6.938 1.00 0.00 C ATOM 1179 CG LYS A 82 84.546 -16.263 7.832 1.00 0.00 C ATOM 1180 CD LYS A 82 85.247 -15.090 8.518 1.00 0.00 C ATOM 1181 CE LYS A 82 84.350 -14.567 9.645 1.00 0.00 C ATOM 1182 NZ LYS A 82 84.347 -15.548 10.768 1.00 0.00 N1+ ATOM 0 H LYS A 82 83.993 -16.151 4.975 1.00 0.00 H new ATOM 0 HA LYS A 82 86.666 -15.425 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 82 85.061 -17.963 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 82 86.407 -17.319 7.517 1.00 0.00 H new ATOM 0 HG2 LYS A 82 83.714 -15.895 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 82 84.126 -16.931 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.209 -15.408 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 82 85.448 -14.297 7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 82 84.711 -13.599 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 82 83.335 -14.415 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 84.121 -15.058 11.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 83.633 -16.282 10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.285 -15.990 10.845 1.00 0.00 H new ATOM 1196 N ILE A 83 87.731 -16.692 4.144 1.00 0.00 N ATOM 1197 CA ILE A 83 88.503 -17.528 3.229 1.00 0.00 C ATOM 1198 C ILE A 83 89.859 -17.783 3.864 1.00 0.00 C ATOM 1199 O ILE A 83 90.798 -17.007 3.684 1.00 0.00 O ATOM 1200 CB ILE A 83 88.685 -16.828 1.869 1.00 0.00 C ATOM 1201 CG1 ILE A 83 89.130 -15.340 2.087 1.00 0.00 C ATOM 1202 CG2 ILE A 83 87.353 -16.891 1.068 1.00 0.00 C ATOM 1203 CD1 ILE A 83 90.465 -15.056 1.377 1.00 0.00 C ATOM 0 H ILE A 83 88.128 -15.766 4.303 1.00 0.00 H new ATOM 0 HA ILE A 83 87.977 -18.466 3.052 1.00 0.00 H new ATOM 0 HB ILE A 83 89.461 -17.338 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 83 88.361 -14.667 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 83 89.231 -15.139 3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 83 87.483 -16.395 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 83 87.075 -17.932 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 83 86.566 -16.389 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 83 90.752 -14.018 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 83 91.237 -15.714 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 83 90.354 -15.235 0.308 1.00 0.00 H new ATOM 1215 N GLY A 84 89.931 -18.833 4.676 1.00 0.00 N ATOM 1216 CA GLY A 84 91.149 -19.148 5.417 1.00 0.00 C ATOM 1217 C GLY A 84 90.977 -18.764 6.885 1.00 0.00 C ATOM 1218 O GLY A 84 90.353 -19.492 7.655 1.00 0.00 O ATOM 0 H GLY A 84 89.160 -19.481 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 84 91.371 -20.212 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 84 91.995 -18.611 4.988 1.00 0.00 H new ATOM 1222 N CYS A 85 91.522 -17.608 7.263 1.00 0.00 N ATOM 1223 CA CYS A 85 91.415 -17.127 8.645 1.00 0.00 C ATOM 1224 C CYS A 85 91.366 -15.601 8.671 1.00 0.00 C ATOM 1225 O CYS A 85 91.854 -14.955 9.598 1.00 0.00 O ATOM 1226 CB CYS A 85 92.604 -17.662 9.484 1.00 0.00 C ATOM 1227 SG CYS A 85 93.921 -18.242 8.379 1.00 0.00 S ATOM 0 H CYS A 85 92.039 -16.989 6.638 1.00 0.00 H new ATOM 0 HA CYS A 85 90.490 -17.501 9.084 1.00 0.00 H new ATOM 0 HB2 CYS A 85 92.984 -16.876 10.137 1.00 0.00 H new ATOM 0 HB3 CYS A 85 92.270 -18.477 10.127 1.00 0.00 H new ATOM 1232 N ASN A 86 90.755 -15.042 7.639 1.00 0.00 N ATOM 1233 CA ASN A 86 90.629 -13.584 7.505 1.00 0.00 C ATOM 1234 C ASN A 86 89.163 -13.164 7.357 1.00 0.00 C ATOM 1235 O ASN A 86 88.443 -13.655 6.487 1.00 0.00 O ATOM 1236 CB ASN A 86 91.455 -13.092 6.288 1.00 0.00 C ATOM 1237 CG ASN A 86 91.698 -14.236 5.310 1.00 0.00 C ATOM 1238 OD1 ASN A 86 91.123 -14.260 4.224 1.00 0.00 O ATOM 1239 ND2 ASN A 86 92.527 -15.188 5.636 1.00 0.00 N ATOM 0 H ASN A 86 90.334 -15.571 6.875 1.00 0.00 H new ATOM 0 HA ASN A 86 91.018 -13.123 8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 86 90.926 -12.282 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 86 92.408 -12.687 6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 86 92.701 -15.957 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 86 93.002 -15.164 6.538 1.00 0.00 H new ATOM 1246 N THR A 87 88.773 -12.172 8.159 1.00 0.00 N ATOM 1247 CA THR A 87 87.444 -11.575 8.077 1.00 0.00 C ATOM 1248 C THR A 87 87.509 -10.422 7.083 1.00 0.00 C ATOM 1249 O THR A 87 88.514 -9.714 7.021 1.00 0.00 O ATOM 1250 CB THR A 87 87.018 -11.057 9.464 1.00 0.00 C ATOM 1251 OG1 THR A 87 86.583 -12.149 10.260 1.00 0.00 O ATOM 1252 CG2 THR A 87 85.883 -10.033 9.337 1.00 0.00 C ATOM 0 H THR A 87 89.368 -11.763 8.880 1.00 0.00 H new ATOM 0 HA THR A 87 86.713 -12.314 7.749 1.00 0.00 H new ATOM 0 HB THR A 87 87.873 -10.571 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 87 86.313 -11.823 11.144 1.00 0.00 H new ATOM 0 HG21 THR A 87 85.598 -9.681 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 87 86.220 -9.189 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 87 85.023 -10.501 8.857 1.00 0.00 H new ATOM 1260 N CYS A 88 86.460 -10.242 6.284 1.00 0.00 N ATOM 1261 CA CYS A 88 86.465 -9.173 5.285 1.00 0.00 C ATOM 1262 C CYS A 88 85.106 -8.497 5.219 1.00 0.00 C ATOM 1263 O CYS A 88 84.077 -9.149 5.042 1.00 0.00 O ATOM 1264 CB CYS A 88 86.838 -9.750 3.921 1.00 0.00 C ATOM 1265 SG CYS A 88 88.510 -10.453 3.997 1.00 0.00 S ATOM 0 H CYS A 88 85.612 -10.808 6.305 1.00 0.00 H new ATOM 0 HA CYS A 88 87.203 -8.424 5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 88 86.122 -10.519 3.631 1.00 0.00 H new ATOM 0 HB3 CYS A 88 86.794 -8.971 3.160 1.00 0.00 H new ATOM 1270 N VAL A 89 85.123 -7.174 5.352 1.00 0.00 N ATOM 1271 CA VAL A 89 83.904 -6.362 5.300 1.00 0.00 C ATOM 1272 C VAL A 89 83.998 -5.384 4.132 1.00 0.00 C ATOM 1273 O VAL A 89 85.027 -4.742 3.920 1.00 0.00 O ATOM 1274 CB VAL A 89 83.707 -5.587 6.636 1.00 0.00 C ATOM 1275 CG1 VAL A 89 82.704 -6.311 7.540 1.00 0.00 C ATOM 1276 CG2 VAL A 89 85.042 -5.489 7.380 1.00 0.00 C ATOM 0 H VAL A 89 85.976 -6.634 5.498 1.00 0.00 H new ATOM 0 HA VAL A 89 83.045 -7.017 5.156 1.00 0.00 H new ATOM 0 HB VAL A 89 83.330 -4.593 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 82.581 -5.752 8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 89 81.743 -6.385 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 89 83.073 -7.312 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 89 84.899 -4.946 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 89 85.413 -6.491 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 89 85.766 -4.960 6.760 1.00 0.00 H new ATOM 1286 N CYS A 90 82.912 -5.286 3.374 1.00 0.00 N ATOM 1287 CA CYS A 90 82.862 -4.394 2.225 1.00 0.00 C ATOM 1288 C CYS A 90 82.944 -2.948 2.676 1.00 0.00 C ATOM 1289 O CYS A 90 82.128 -2.478 3.470 1.00 0.00 O ATOM 1290 CB CYS A 90 81.564 -4.627 1.460 1.00 0.00 C ATOM 1291 SG CYS A 90 81.710 -3.920 -0.196 1.00 0.00 S ATOM 0 H CYS A 90 82.055 -5.814 3.536 1.00 0.00 H new ATOM 0 HA CYS A 90 83.711 -4.603 1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 90 81.354 -5.695 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 90 80.729 -4.170 1.991 1.00 0.00 H new ATOM 1296 N ARG A 91 83.954 -2.253 2.167 1.00 0.00 N ATOM 1297 CA ARG A 91 84.189 -0.854 2.507 1.00 0.00 C ATOM 1298 C ARG A 91 84.389 -0.041 1.238 1.00 0.00 C ATOM 1299 O ARG A 91 85.339 -0.267 0.487 1.00 0.00 O ATOM 1300 CB ARG A 91 85.450 -0.733 3.370 1.00 0.00 C ATOM 1301 CG ARG A 91 85.403 -1.730 4.564 1.00 0.00 C ATOM 1302 CD ARG A 91 85.702 -0.999 5.872 1.00 0.00 C ATOM 1303 NE ARG A 91 84.548 -0.185 6.242 1.00 0.00 N ATOM 1304 CZ ARG A 91 84.678 0.957 6.910 1.00 0.00 C ATOM 1305 NH1 ARG A 91 85.859 1.378 7.271 1.00 0.00 N ATOM 1306 NH2 ARG A 91 83.617 1.657 7.207 1.00 0.00 N1+ ATOM 0 H ARG A 91 84.631 -2.641 1.510 1.00 0.00 H new ATOM 0 HA ARG A 91 83.326 -0.478 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 91 86.332 -0.930 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 91 85.542 0.286 3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 91 84.421 -2.199 4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 91 86.130 -2.528 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 91 85.924 -1.717 6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 91 86.584 -0.369 5.757 1.00 0.00 H new ATOM 0 HE ARG A 91 83.614 -0.502 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.688 0.830 7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 91 85.953 2.255 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 91 82.693 1.327 6.927 1.00 0.00 H new ATOM 0 HH22 ARG A 91 83.712 2.534 7.719 1.00 0.00 H new ATOM 1320 N ASP A 92 83.489 0.904 0.998 1.00 0.00 N ATOM 1321 CA ASP A 92 83.574 1.740 -0.190 1.00 0.00 C ATOM 1322 C ASP A 92 83.776 0.873 -1.436 1.00 0.00 C ATOM 1323 O ASP A 92 84.520 1.230 -2.349 1.00 0.00 O ATOM 1324 CB ASP A 92 84.705 2.782 -0.028 1.00 0.00 C ATOM 1325 CG ASP A 92 84.158 4.082 0.567 1.00 0.00 C ATOM 1326 OD1 ASP A 92 83.941 4.118 1.767 1.00 0.00 O ATOM 1327 OD2 ASP A 92 83.963 5.021 -0.188 1.00 0.00 O1- ATOM 0 H ASP A 92 82.697 1.109 1.607 1.00 0.00 H new ATOM 0 HA ASP A 92 82.637 2.283 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 92 85.487 2.381 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 92 85.163 2.983 -0.996 1.00 0.00 H new ATOM 1332 N ARG A 93 83.066 -0.254 -1.484 1.00 0.00 N ATOM 1333 CA ARG A 93 83.132 -1.148 -2.642 1.00 0.00 C ATOM 1334 C ARG A 93 84.495 -1.853 -2.690 1.00 0.00 C ATOM 1335 O ARG A 93 84.885 -2.402 -3.721 1.00 0.00 O ATOM 1336 CB ARG A 93 82.886 -0.317 -3.936 1.00 0.00 C ATOM 1337 CG ARG A 93 81.858 -0.981 -4.886 1.00 0.00 C ATOM 1338 CD ARG A 93 82.528 -2.055 -5.750 1.00 0.00 C ATOM 1339 NE ARG A 93 83.726 -1.522 -6.397 1.00 0.00 N ATOM 1340 CZ ARG A 93 84.736 -2.316 -6.737 1.00 0.00 C ATOM 1341 NH1 ARG A 93 84.642 -3.603 -6.547 1.00 0.00 N ATOM 1342 NH2 ARG A 93 85.816 -1.811 -7.269 1.00 0.00 N1+ ATOM 0 H ARG A 93 82.442 -0.569 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 93 82.363 -1.917 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 93 82.533 0.677 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 93 83.831 -0.186 -4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 93 81.053 -1.428 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 93 81.406 -0.223 -5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 93 82.793 -2.913 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 93 81.828 -2.410 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 93 83.788 -0.523 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG A 93 83.795 -3.998 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 93 85.416 -4.215 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 93 85.886 -0.805 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 93 86.590 -2.422 -7.529 1.00 0.00 H new ATOM 1356 N LYS A 94 85.208 -1.855 -1.553 1.00 0.00 N ATOM 1357 CA LYS A 94 86.520 -2.510 -1.462 1.00 0.00 C ATOM 1358 C LYS A 94 86.622 -3.276 -0.148 1.00 0.00 C ATOM 1359 O LYS A 94 86.011 -2.903 0.850 1.00 0.00 O ATOM 1360 CB LYS A 94 87.649 -1.473 -1.534 1.00 0.00 C ATOM 1361 CG LYS A 94 89.026 -2.173 -1.337 1.00 0.00 C ATOM 1362 CD LYS A 94 90.103 -1.543 -2.251 1.00 0.00 C ATOM 1363 CE LYS A 94 90.162 -2.293 -3.600 1.00 0.00 C ATOM 1364 NZ LYS A 94 88.824 -2.873 -3.921 1.00 0.00 N1+ ATOM 0 H LYS A 94 84.899 -1.412 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 94 86.621 -3.199 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.625 -0.963 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 94 87.505 -0.712 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 94 89.334 -2.090 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 94 88.933 -3.236 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 94 89.876 -0.491 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 94 91.076 -1.584 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 94 90.471 -1.610 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 90.909 -3.085 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 88.855 -3.317 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.575 -3.588 -3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 88.109 -2.118 -3.918 1.00 0.00 H new ATOM 1378 N TRP A 95 87.400 -4.356 -0.162 1.00 0.00 N ATOM 1379 CA TRP A 95 87.582 -5.194 1.018 1.00 0.00 C ATOM 1380 C TRP A 95 88.795 -4.739 1.830 1.00 0.00 C ATOM 1381 O TRP A 95 89.865 -4.474 1.282 1.00 0.00 O ATOM 1382 CB TRP A 95 87.762 -6.650 0.567 1.00 0.00 C ATOM 1383 CG TRP A 95 86.431 -7.264 0.261 1.00 0.00 C ATOM 1384 CD1 TRP A 95 85.333 -6.591 -0.158 1.00 0.00 C ATOM 1385 CD2 TRP A 95 86.044 -8.662 0.352 1.00 0.00 C ATOM 1386 NE1 TRP A 95 84.296 -7.493 -0.329 1.00 0.00 N ATOM 1387 CE2 TRP A 95 84.687 -8.783 -0.028 1.00 0.00 C ATOM 1388 CE3 TRP A 95 86.737 -9.828 0.724 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 84.040 -10.019 -0.037 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 86.089 -11.072 0.715 1.00 0.00 C ATOM 1391 CH2 TRP A 95 84.743 -11.167 0.337 1.00 0.00 C ATOM 0 H TRP A 95 87.917 -4.672 -0.983 1.00 0.00 H new ATOM 0 HA TRP A 95 86.703 -5.108 1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 95 88.400 -6.689 -0.316 1.00 0.00 H new ATOM 0 HB3 TRP A 95 88.263 -7.221 1.348 1.00 0.00 H new ATOM 0 HD1 TRP A 95 85.275 -5.526 -0.330 1.00 0.00 H new ATOM 0 HE1 TRP A 95 83.359 -7.236 -0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 95 87.774 -9.765 1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.003 -10.088 -0.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 86.630 -11.962 1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 95 84.249 -12.127 0.335 1.00 0.00 H new ATOM 1402 N ASN A 96 88.636 -4.753 3.154 1.00 0.00 N ATOM 1403 CA ASN A 96 89.725 -4.441 4.080 1.00 0.00 C ATOM 1404 C ASN A 96 89.784 -5.548 5.126 1.00 0.00 C ATOM 1405 O ASN A 96 88.965 -5.590 6.043 1.00 0.00 O ATOM 1406 CB ASN A 96 89.481 -3.096 4.768 1.00 0.00 C ATOM 1407 CG ASN A 96 90.755 -2.631 5.468 1.00 0.00 C ATOM 1408 OD1 ASN A 96 90.777 -1.554 6.063 1.00 0.00 O ATOM 1409 ND2 ASN A 96 91.821 -3.385 5.439 1.00 0.00 N ATOM 0 H ASN A 96 87.754 -4.980 3.613 1.00 0.00 H new ATOM 0 HA ASN A 96 90.666 -4.375 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 96 89.168 -2.354 4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 96 88.672 -3.190 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 96 92.673 -3.081 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 96 91.801 -4.277 4.945 1.00 0.00 H new ATOM 1416 N CYS A 97 90.700 -6.492 4.930 1.00 0.00 N ATOM 1417 CA CYS A 97 90.796 -7.658 5.810 1.00 0.00 C ATOM 1418 C CYS A 97 91.965 -7.540 6.785 1.00 0.00 C ATOM 1419 O CYS A 97 92.762 -6.603 6.711 1.00 0.00 O ATOM 1420 CB CYS A 97 90.963 -8.915 4.953 1.00 0.00 C ATOM 1421 SG CYS A 97 89.741 -8.894 3.612 1.00 0.00 S ATOM 0 H CYS A 97 91.385 -6.475 4.174 1.00 0.00 H new ATOM 0 HA CYS A 97 89.882 -7.717 6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 97 91.971 -8.957 4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 97 90.832 -9.807 5.566 1.00 0.00 H new ATOM 1426 N THR A 98 92.010 -8.459 7.751 1.00 0.00 N ATOM 1427 CA THR A 98 93.017 -8.414 8.808 1.00 0.00 C ATOM 1428 C THR A 98 94.430 -8.268 8.260 1.00 0.00 C ATOM 1429 O THR A 98 95.197 -7.447 8.763 1.00 0.00 O ATOM 1430 CB THR A 98 92.927 -9.686 9.659 1.00 0.00 C ATOM 1431 OG1 THR A 98 94.013 -9.709 10.573 1.00 0.00 O ATOM 1432 CG2 THR A 98 92.983 -10.926 8.766 1.00 0.00 C ATOM 0 H THR A 98 91.361 -9.242 7.822 1.00 0.00 H new ATOM 0 HA THR A 98 92.810 -7.534 9.416 1.00 0.00 H new ATOM 0 HB THR A 98 91.982 -9.689 10.203 1.00 0.00 H new ATOM 0 HG1 THR A 98 93.668 -9.725 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 98 92.918 -11.822 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 98 92.149 -10.907 8.065 1.00 0.00 H new ATOM 0 HG23 THR A 98 93.922 -10.934 8.213 1.00 0.00 H new ATOM 1440 N ASP A 99 94.795 -9.071 7.280 1.00 0.00 N ATOM 1441 CA ASP A 99 96.149 -9.029 6.703 1.00 0.00 C ATOM 1442 C ASP A 99 97.196 -9.509 7.716 1.00 0.00 C ATOM 1443 O ASP A 99 97.939 -8.714 8.291 1.00 0.00 O ATOM 1444 CB ASP A 99 96.503 -7.605 6.178 1.00 0.00 C ATOM 1445 CG ASP A 99 96.342 -7.530 4.655 1.00 0.00 C ATOM 1446 OD1 ASP A 99 95.541 -8.282 4.126 1.00 0.00 O ATOM 1447 OD2 ASP A 99 97.032 -6.729 4.044 1.00 0.00 O1- ATOM 0 H ASP A 99 94.180 -9.766 6.857 1.00 0.00 H new ATOM 0 HA ASP A 99 96.161 -9.710 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 99 95.857 -6.867 6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 99 97.528 -7.356 6.452 1.00 0.00 H new ATOM 1452 N HIS A 100 97.265 -10.829 7.893 1.00 0.00 N ATOM 1453 CA HIS A 100 98.248 -11.429 8.795 1.00 0.00 C ATOM 1454 C HIS A 100 98.500 -12.887 8.420 1.00 0.00 C ATOM 1455 O HIS A 100 97.691 -13.506 7.728 1.00 0.00 O ATOM 1456 CB HIS A 100 97.767 -11.344 10.243 1.00 0.00 C ATOM 1457 CG HIS A 100 96.430 -12.020 10.387 1.00 0.00 C ATOM 1458 ND1 HIS A 100 96.037 -13.079 9.583 1.00 0.00 N ATOM 1459 CD2 HIS A 100 95.387 -11.797 11.250 1.00 0.00 C ATOM 1460 CE1 HIS A 100 94.804 -13.450 9.978 1.00 0.00 C ATOM 1461 NE2 HIS A 100 94.362 -12.701 10.992 1.00 0.00 N ATOM 0 H HIS A 100 96.655 -11.500 7.426 1.00 0.00 H new ATOM 0 HA HIS A 100 99.181 -10.873 8.698 1.00 0.00 H new ATOM 0 HB2 HIS A 100 98.494 -11.816 10.904 1.00 0.00 H new ATOM 0 HB3 HIS A 100 97.690 -10.300 10.548 1.00 0.00 H new ATOM 0 HD1 HIS A 100 96.582 -13.500 8.830 1.00 0.00 H new ATOM 0 HD2 HIS A 100 95.365 -11.034 12.014 1.00 0.00 H new ATOM 0 HE1 HIS A 100 94.241 -14.255 9.529 1.00 0.00 H new ATOM 1469 N VAL A 101 99.623 -13.435 8.883 1.00 0.00 N ATOM 1470 CA VAL A 101 99.962 -14.825 8.591 1.00 0.00 C ATOM 1471 C VAL A 101 99.248 -15.755 9.563 1.00 0.00 C ATOM 1472 O VAL A 101 99.527 -15.754 10.763 1.00 0.00 O ATOM 1473 CB VAL A 101 101.490 -15.021 8.691 1.00 0.00 C ATOM 1474 CG1 VAL A 101 101.991 -14.643 10.117 1.00 0.00 C ATOM 1475 CG2 VAL A 101 101.870 -16.495 8.346 1.00 0.00 C ATOM 0 H VAL A 101 100.307 -12.942 9.457 1.00 0.00 H new ATOM 0 HA VAL A 101 99.638 -15.065 7.578 1.00 0.00 H new ATOM 0 HB VAL A 101 101.976 -14.363 7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 101 103.070 -14.786 10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 101 101.752 -13.599 10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 101 101.502 -15.279 10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 101 102.950 -16.619 8.420 1.00 0.00 H new ATOM 0 HG22 VAL A 101 101.378 -17.171 9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 101 101.547 -16.726 7.331 1.00 0.00 H new ATOM 1485 N CYS A 102 98.313 -16.546 9.033 1.00 0.00 N ATOM 1486 CA CYS A 102 97.535 -17.484 9.846 1.00 0.00 C ATOM 1487 C CYS A 102 97.482 -18.847 9.174 1.00 0.00 C ATOM 1488 O CYS A 102 98.179 -19.090 8.190 1.00 0.00 O ATOM 1489 CB CYS A 102 96.110 -16.959 10.037 1.00 0.00 C ATOM 1490 SG CYS A 102 95.311 -16.774 8.424 1.00 0.00 S ATOM 0 H CYS A 102 98.075 -16.556 8.041 1.00 0.00 H new ATOM 0 HA CYS A 102 98.019 -17.581 10.818 1.00 0.00 H new ATOM 0 HB2 CYS A 102 95.539 -17.647 10.661 1.00 0.00 H new ATOM 0 HB3 CYS A 102 96.131 -16.001 10.556 1.00 0.00 H new ATOM 1495 N ASP A 103 96.664 -19.740 9.721 1.00 0.00 N ATOM 1496 CA ASP A 103 96.544 -21.088 9.171 1.00 0.00 C ATOM 1497 C ASP A 103 97.932 -21.644 8.845 1.00 0.00 C ATOM 1498 O ASP A 103 98.002 -22.626 8.124 1.00 0.00 O ATOM 1499 CB ASP A 103 95.665 -21.064 7.900 1.00 0.00 C ATOM 1500 CG ASP A 103 94.190 -21.248 8.258 1.00 0.00 C ATOM 1501 OD1 ASP A 103 93.804 -20.824 9.334 1.00 0.00 O1- ATOM 1502 OD2 ASP A 103 93.472 -21.809 7.447 1.00 0.00 O ATOM 1503 OXT ASP A 103 98.901 -21.077 9.321 1.00 0.00 O ATOM 0 H ASP A 103 96.079 -19.559 10.537 1.00 0.00 H new ATOM 0 HA ASP A 103 96.072 -21.734 9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.802 -20.118 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.980 -21.855 7.219 1.00 0.00 H new TER 1508 ASP A 103