USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 551 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -8.83! C(o=-6.4!,f=-17!) USER MOD Set 1.2: A 48 THR OG1 : rot 98:sc= 0.885 USER MOD Set 1.3: A 50 THR OG1 : rot -127:sc= 1.54 USER MOD Set 2.1: A 49 ASN : amide:sc= -0.224 K(o=-3.2,f=-5.1!) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -2.98! X(o=-3.2!,f=-3.1) USER MOD Set 3.1: A 31 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Set 3.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -124:sc= 0.0992 (180deg=-0.000607) USER MOD Single : A 2 SER OG : rot -80:sc= -2.52! USER MOD Single : A 4 MET CE :methyl -119:sc= -0.064 (180deg=-0.598) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.0526 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.198 (180deg=-1.13) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 34 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.31) USER MOD Single : A 35 ASN : amide:sc= -7.17! C(o=-7.2!,f=-22!) USER MOD Single : A 38 MET CE :methyl -153:sc= -0.315 (180deg=-1.67!) USER MOD Single : A 41 HIS : no HE2:sc= -5.91! C(o=-5.9!,f=-9.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= -0.127 (180deg=-0.877) USER MOD Single : A 61 SER OG : rot 170:sc= -0.0139 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 116:sc= 0.994 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.427 -14.341 6.387 1.00 0.00 N ATOM 2 CA ASP A 1 -15.545 -14.072 7.559 1.00 0.00 C ATOM 3 C ASP A 1 -15.515 -12.570 7.842 1.00 0.00 C ATOM 4 O ASP A 1 -16.286 -11.807 7.294 1.00 0.00 O ATOM 5 CB ASP A 1 -14.127 -14.560 7.255 1.00 0.00 C ATOM 6 CG ASP A 1 -14.097 -16.090 7.286 1.00 0.00 C ATOM 7 OD1 ASP A 1 -15.052 -16.673 7.772 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.118 -16.653 6.823 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.166 -15.021 6.657 1.00 0.00 H new ATOM 0 H2 ASP A 1 -16.871 -13.453 6.075 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.860 -14.736 5.610 1.00 0.00 H new ATOM 0 HA ASP A 1 -15.932 -14.599 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.808 -14.199 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -13.427 -14.157 7.987 1.00 0.00 H new ATOM 15 N SER A 2 -14.625 -12.143 8.694 1.00 0.00 N ATOM 16 CA SER A 2 -14.536 -10.693 9.019 1.00 0.00 C ATOM 17 C SER A 2 -13.893 -9.943 7.851 1.00 0.00 C ATOM 18 O SER A 2 -13.736 -8.739 7.885 1.00 0.00 O ATOM 19 CB SER A 2 -13.675 -10.508 10.266 1.00 0.00 C ATOM 20 OG SER A 2 -14.390 -10.956 11.408 1.00 0.00 O ATOM 0 H SER A 2 -13.954 -12.738 9.180 1.00 0.00 H new ATOM 0 HA SER A 2 -15.537 -10.300 9.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.745 -11.067 10.164 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.405 -9.458 10.382 1.00 0.00 H new ATOM 0 HG SER A 2 -15.021 -10.262 11.692 1.00 0.00 H new ATOM 26 N GLU A 3 -13.526 -10.643 6.810 1.00 0.00 N ATOM 27 CA GLU A 3 -12.903 -9.965 5.643 1.00 0.00 C ATOM 28 C GLU A 3 -13.752 -8.754 5.269 1.00 0.00 C ATOM 29 O GLU A 3 -13.279 -7.808 4.674 1.00 0.00 O ATOM 30 CB GLU A 3 -12.838 -10.934 4.461 1.00 0.00 C ATOM 31 CG GLU A 3 -11.377 -11.288 4.173 1.00 0.00 C ATOM 32 CD GLU A 3 -11.321 -12.452 3.181 1.00 0.00 C ATOM 33 OE1 GLU A 3 -12.121 -12.457 2.260 1.00 0.00 O ATOM 34 OE2 GLU A 3 -10.481 -13.317 3.360 1.00 0.00 O ATOM 0 H GLU A 3 -13.632 -11.654 6.720 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.892 -9.645 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.405 -11.837 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.294 -10.482 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.856 -10.422 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.868 -11.559 5.098 1.00 0.00 H new ATOM 41 N MET A 4 -15.007 -8.774 5.625 1.00 0.00 N ATOM 42 CA MET A 4 -15.889 -7.619 5.301 1.00 0.00 C ATOM 43 C MET A 4 -15.425 -6.404 6.105 1.00 0.00 C ATOM 44 O MET A 4 -15.575 -5.273 5.686 1.00 0.00 O ATOM 45 CB MET A 4 -17.336 -7.958 5.670 1.00 0.00 C ATOM 46 CG MET A 4 -17.830 -9.108 4.791 1.00 0.00 C ATOM 47 SD MET A 4 -19.609 -9.337 5.041 1.00 0.00 S ATOM 48 CE MET A 4 -20.161 -7.918 4.061 1.00 0.00 C ATOM 0 H MET A 4 -15.459 -9.539 6.126 1.00 0.00 H new ATOM 0 HA MET A 4 -15.836 -7.400 4.235 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.399 -8.237 6.722 1.00 0.00 H new ATOM 0 HB3 MET A 4 -17.972 -7.083 5.534 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.624 -8.893 3.742 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.296 -10.025 5.039 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.710 -7.226 4.700 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.295 -7.410 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 4 -20.811 -8.262 3.256 1.00 0.00 H new ATOM 58 N CYS A 5 -14.852 -6.634 7.254 1.00 0.00 N ATOM 59 CA CYS A 5 -14.363 -5.504 8.091 1.00 0.00 C ATOM 60 C CYS A 5 -12.964 -5.100 7.618 1.00 0.00 C ATOM 61 O CYS A 5 -12.416 -4.107 8.051 1.00 0.00 O ATOM 62 CB CYS A 5 -14.307 -5.950 9.555 1.00 0.00 C ATOM 63 SG CYS A 5 -13.395 -4.732 10.535 1.00 0.00 S ATOM 0 H CYS A 5 -14.701 -7.561 7.651 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.037 -4.652 7.999 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -15.317 -6.064 9.949 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.824 -6.925 9.629 1.00 0.00 H new ATOM 68 N LYS A 6 -12.382 -5.866 6.733 1.00 0.00 N ATOM 69 CA LYS A 6 -11.020 -5.527 6.236 1.00 0.00 C ATOM 70 C LYS A 6 -11.027 -4.123 5.626 1.00 0.00 C ATOM 71 O LYS A 6 -9.992 -3.524 5.413 1.00 0.00 O ATOM 72 CB LYS A 6 -10.590 -6.554 5.178 1.00 0.00 C ATOM 73 CG LYS A 6 -11.247 -6.229 3.831 1.00 0.00 C ATOM 74 CD LYS A 6 -11.012 -7.388 2.858 1.00 0.00 C ATOM 75 CE LYS A 6 -11.382 -6.949 1.439 1.00 0.00 C ATOM 76 NZ LYS A 6 -10.140 -6.663 0.666 1.00 0.00 N ATOM 0 H LYS A 6 -12.792 -6.711 6.334 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.315 -5.550 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.505 -6.547 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.873 -7.557 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.316 -6.064 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.831 -5.308 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.968 -7.699 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.612 -8.250 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.959 -7.730 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.013 -6.061 1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.392 -6.365 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.606 -5.903 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.554 -7.521 0.621 1.00 0.00 H new ATOM 90 N ASP A 7 -12.185 -3.590 5.340 1.00 0.00 N ATOM 91 CA ASP A 7 -12.247 -2.227 4.743 1.00 0.00 C ATOM 92 C ASP A 7 -13.632 -1.621 4.977 1.00 0.00 C ATOM 93 O ASP A 7 -14.131 -0.862 4.169 1.00 0.00 O ATOM 94 CB ASP A 7 -11.979 -2.315 3.240 1.00 0.00 C ATOM 95 CG ASP A 7 -13.033 -3.210 2.584 1.00 0.00 C ATOM 96 OD1 ASP A 7 -13.824 -3.788 3.309 1.00 0.00 O ATOM 97 OD2 ASP A 7 -13.030 -3.302 1.367 1.00 0.00 O ATOM 0 H ASP A 7 -13.088 -4.039 5.494 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.493 -1.596 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.005 -1.320 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.982 -2.718 3.061 1.00 0.00 H new ATOM 102 N TYR A 8 -14.258 -1.943 6.076 1.00 0.00 N ATOM 103 CA TYR A 8 -15.608 -1.376 6.352 1.00 0.00 C ATOM 104 C TYR A 8 -15.455 0.051 6.888 1.00 0.00 C ATOM 105 O TYR A 8 -14.356 0.526 7.101 1.00 0.00 O ATOM 106 CB TYR A 8 -16.342 -2.258 7.375 1.00 0.00 C ATOM 107 CG TYR A 8 -15.912 -1.905 8.783 1.00 0.00 C ATOM 108 CD1 TYR A 8 -14.616 -2.208 9.221 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.812 -1.273 9.650 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.223 -1.879 10.523 1.00 0.00 C ATOM 111 CE2 TYR A 8 -16.417 -0.945 10.953 1.00 0.00 C ATOM 112 CZ TYR A 8 -15.123 -1.248 11.389 1.00 0.00 C ATOM 113 OH TYR A 8 -14.734 -0.924 12.672 1.00 0.00 O ATOM 0 H TYR A 8 -13.895 -2.572 6.792 1.00 0.00 H new ATOM 0 HA TYR A 8 -16.193 -1.351 5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -17.419 -2.125 7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.131 -3.309 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.921 -2.695 8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.811 -1.038 9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.224 -2.112 10.860 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -17.112 -0.458 11.621 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.478 -0.491 13.140 1.00 0.00 H new ATOM 123 N ARG A 9 -16.541 0.740 7.104 1.00 0.00 N ATOM 124 CA ARG A 9 -16.439 2.134 7.621 1.00 0.00 C ATOM 125 C ARG A 9 -17.591 2.417 8.587 1.00 0.00 C ATOM 126 O ARG A 9 -18.729 2.071 8.334 1.00 0.00 O ATOM 127 CB ARG A 9 -16.500 3.115 6.449 1.00 0.00 C ATOM 128 CG ARG A 9 -15.139 3.158 5.751 1.00 0.00 C ATOM 129 CD ARG A 9 -15.104 4.330 4.769 1.00 0.00 C ATOM 130 NE ARG A 9 -16.304 4.278 3.889 1.00 0.00 N ATOM 131 CZ ARG A 9 -16.631 5.315 3.168 1.00 0.00 C ATOM 132 NH1 ARG A 9 -15.770 6.277 2.983 1.00 0.00 N ATOM 133 NH2 ARG A 9 -17.820 5.390 2.634 1.00 0.00 N ATOM 0 H ARG A 9 -17.490 0.401 6.946 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.493 2.254 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.273 2.809 5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.770 4.109 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.344 3.264 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.960 2.222 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.080 5.274 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.196 4.287 4.167 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.871 3.431 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.842 6.218 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.025 7.088 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -18.493 4.638 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.076 6.201 2.070 1.00 0.00 H new ATOM 147 N VAL A 10 -17.303 3.048 9.691 1.00 0.00 N ATOM 148 CA VAL A 10 -18.374 3.362 10.677 1.00 0.00 C ATOM 149 C VAL A 10 -18.176 4.789 11.194 1.00 0.00 C ATOM 150 O VAL A 10 -17.076 5.202 11.504 1.00 0.00 O ATOM 151 CB VAL A 10 -18.301 2.368 11.841 1.00 0.00 C ATOM 152 CG1 VAL A 10 -19.093 2.904 13.036 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.897 1.029 11.398 1.00 0.00 C ATOM 0 H VAL A 10 -16.368 3.361 9.954 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.352 3.283 10.202 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.260 2.232 12.134 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -19.036 2.192 13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.673 3.859 13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.135 3.044 12.749 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.847 0.318 12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.937 1.173 11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.331 0.642 10.551 1.00 0.00 H new ATOM 163 N LEU A 11 -19.234 5.549 11.282 1.00 0.00 N ATOM 164 CA LEU A 11 -19.108 6.952 11.768 1.00 0.00 C ATOM 165 C LEU A 11 -19.585 7.040 13.220 1.00 0.00 C ATOM 166 O LEU A 11 -20.119 6.095 13.765 1.00 0.00 O ATOM 167 CB LEU A 11 -19.968 7.865 10.893 1.00 0.00 C ATOM 168 CG LEU A 11 -19.075 8.587 9.882 1.00 0.00 C ATOM 169 CD1 LEU A 11 -18.846 7.681 8.671 1.00 0.00 C ATOM 170 CD2 LEU A 11 -19.755 9.880 9.431 1.00 0.00 C ATOM 0 H LEU A 11 -20.181 5.258 11.038 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.065 7.264 11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.726 7.280 10.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.495 8.590 11.513 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.118 8.825 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.210 8.193 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.361 6.759 8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.804 7.444 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.118 10.394 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -20.712 9.645 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -19.920 10.525 10.294 1.00 0.00 H new ATOM 182 N PRO A 12 -19.388 8.206 13.853 1.00 0.00 N ATOM 183 CA PRO A 12 -19.799 8.431 15.246 1.00 0.00 C ATOM 184 C PRO A 12 -21.322 8.436 15.389 1.00 0.00 C ATOM 185 O PRO A 12 -21.857 8.192 16.452 1.00 0.00 O ATOM 186 CB PRO A 12 -19.236 9.817 15.566 1.00 0.00 C ATOM 187 CG PRO A 12 -19.117 10.485 14.238 1.00 0.00 C ATOM 188 CD PRO A 12 -18.752 9.400 13.266 1.00 0.00 C ATOM 0 HA PRO A 12 -19.439 7.648 15.914 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.898 10.371 16.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.269 9.748 16.064 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.055 10.964 13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.355 11.264 14.259 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.131 9.609 12.266 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.672 9.281 13.179 1.00 0.00 H new ATOM 196 N ARG A 13 -22.023 8.706 14.323 1.00 0.00 N ATOM 197 CA ARG A 13 -23.511 8.721 14.394 1.00 0.00 C ATOM 198 C ARG A 13 -24.053 7.399 13.848 1.00 0.00 C ATOM 199 O ARG A 13 -25.139 6.973 14.191 1.00 0.00 O ATOM 200 CB ARG A 13 -24.049 9.883 13.558 1.00 0.00 C ATOM 201 CG ARG A 13 -23.642 11.206 14.211 1.00 0.00 C ATOM 202 CD ARG A 13 -24.186 12.372 13.385 1.00 0.00 C ATOM 203 NE ARG A 13 -23.558 13.641 13.849 1.00 0.00 N ATOM 204 CZ ARG A 13 -23.357 14.617 13.006 1.00 0.00 C ATOM 205 NH1 ARG A 13 -22.141 14.933 12.653 1.00 0.00 N ATOM 206 NH2 ARG A 13 -24.371 15.275 12.517 1.00 0.00 N ATOM 0 H ARG A 13 -21.630 8.917 13.406 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.829 8.846 15.429 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.655 9.829 12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.135 9.820 13.483 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.029 11.256 15.229 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.556 11.271 14.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.974 12.213 12.328 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.270 12.431 13.487 1.00 0.00 H new ATOM 0 HE ARG A 13 -23.285 13.747 14.826 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -21.349 14.417 13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -21.983 15.696 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -25.321 15.027 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -24.214 16.038 11.858 1.00 0.00 H new ATOM 220 N ILE A 14 -23.305 6.746 13.002 1.00 0.00 N ATOM 221 CA ILE A 14 -23.774 5.449 12.435 1.00 0.00 C ATOM 222 C ILE A 14 -23.412 4.314 13.394 1.00 0.00 C ATOM 223 O ILE A 14 -24.225 3.466 13.705 1.00 0.00 O ATOM 224 CB ILE A 14 -23.098 5.206 11.084 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.441 6.348 10.126 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.593 3.882 10.497 1.00 0.00 C ATOM 227 CD1 ILE A 14 -22.531 6.273 8.897 1.00 0.00 C ATOM 0 H ILE A 14 -22.388 7.054 12.678 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.855 5.483 12.300 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.018 5.162 11.223 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.486 6.281 9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.315 7.308 10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.112 3.708 9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.347 3.067 11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.673 3.926 10.360 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -22.775 7.086 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -21.490 6.361 9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -22.679 5.318 8.392 1.00 0.00 H new ATOM 239 N GLY A 15 -22.194 4.289 13.866 1.00 0.00 N ATOM 240 CA GLY A 15 -21.778 3.210 14.805 1.00 0.00 C ATOM 241 C GLY A 15 -21.658 1.888 14.042 1.00 0.00 C ATOM 242 O GLY A 15 -21.701 1.854 12.828 1.00 0.00 O ATOM 0 H GLY A 15 -21.469 4.971 13.641 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.824 3.463 15.267 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.506 3.113 15.610 1.00 0.00 H new ATOM 246 N TYR A 16 -21.507 0.799 14.745 1.00 0.00 N ATOM 247 CA TYR A 16 -21.383 -0.519 14.061 1.00 0.00 C ATOM 248 C TYR A 16 -22.764 -1.162 13.933 1.00 0.00 C ATOM 249 O TYR A 16 -23.637 -0.948 14.752 1.00 0.00 O ATOM 250 CB TYR A 16 -20.474 -1.435 14.884 1.00 0.00 C ATOM 251 CG TYR A 16 -19.605 -2.251 13.957 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.179 -3.231 13.138 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.223 -2.027 13.916 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.372 -3.987 12.280 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.416 -2.783 13.058 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.991 -3.764 12.240 1.00 0.00 C ATOM 257 OH TYR A 16 -17.195 -4.508 11.394 1.00 0.00 O ATOM 0 H TYR A 16 -21.464 0.765 15.764 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.956 -0.373 13.069 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.852 -0.841 15.553 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -21.076 -2.094 15.510 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.245 -3.404 13.168 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.780 -1.271 14.547 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.815 -4.743 11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.350 -2.610 13.027 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.262 -4.225 11.490 1.00 0.00 H new ATOM 267 N LEU A 17 -22.970 -1.950 12.915 1.00 0.00 N ATOM 268 CA LEU A 17 -24.294 -2.609 12.740 1.00 0.00 C ATOM 269 C LEU A 17 -24.110 -4.128 12.762 1.00 0.00 C ATOM 270 O LEU A 17 -23.631 -4.719 11.815 1.00 0.00 O ATOM 271 CB LEU A 17 -24.906 -2.187 11.403 1.00 0.00 C ATOM 272 CG LEU A 17 -26.394 -2.548 11.385 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.549 -4.070 11.357 1.00 0.00 C ATOM 274 CD2 LEU A 17 -27.072 -1.989 12.637 1.00 0.00 C ATOM 0 H LEU A 17 -22.279 -2.166 12.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.959 -2.310 13.550 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.779 -1.114 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.390 -2.685 10.582 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.860 -2.118 10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.608 -4.328 11.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.068 -4.468 10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.082 -4.500 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -28.131 -2.247 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.606 -2.417 13.525 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.963 -0.905 12.657 1.00 0.00 H new ATOM 286 N CYS A 18 -24.485 -4.763 13.838 1.00 0.00 N ATOM 287 CA CYS A 18 -24.334 -6.242 13.924 1.00 0.00 C ATOM 288 C CYS A 18 -25.711 -6.881 14.102 1.00 0.00 C ATOM 289 O CYS A 18 -26.637 -6.260 14.584 1.00 0.00 O ATOM 290 CB CYS A 18 -23.454 -6.600 15.125 1.00 0.00 C ATOM 291 SG CYS A 18 -21.876 -5.720 15.008 1.00 0.00 S ATOM 0 H CYS A 18 -24.890 -4.320 14.663 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.870 -6.612 13.010 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.962 -6.335 16.052 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.280 -7.676 15.153 1.00 0.00 H new ATOM 296 N PRO A 19 -25.842 -8.153 13.705 1.00 0.00 N ATOM 297 CA PRO A 19 -27.104 -8.891 13.820 1.00 0.00 C ATOM 298 C PRO A 19 -27.409 -9.248 15.276 1.00 0.00 C ATOM 299 O PRO A 19 -26.589 -9.064 16.153 1.00 0.00 O ATOM 300 CB PRO A 19 -26.850 -10.164 13.015 1.00 0.00 C ATOM 301 CG PRO A 19 -25.369 -10.346 13.050 1.00 0.00 C ATOM 302 CD PRO A 19 -24.769 -8.969 13.113 1.00 0.00 C ATOM 0 HA PRO A 19 -27.955 -8.311 13.464 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.364 -11.019 13.454 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.213 -10.064 11.992 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.072 -10.938 13.915 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.023 -10.879 12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.867 -8.952 13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.489 -8.607 12.123 1.00 0.00 H new ATOM 310 N LYS A 20 -28.578 -9.759 15.541 1.00 0.00 N ATOM 311 CA LYS A 20 -28.921 -10.126 16.942 1.00 0.00 C ATOM 312 C LYS A 20 -28.541 -11.587 17.191 1.00 0.00 C ATOM 313 O LYS A 20 -28.322 -11.997 18.314 1.00 0.00 O ATOM 314 CB LYS A 20 -30.423 -9.938 17.168 1.00 0.00 C ATOM 315 CG LYS A 20 -30.779 -8.459 16.999 1.00 0.00 C ATOM 316 CD LYS A 20 -32.258 -8.251 17.325 1.00 0.00 C ATOM 317 CE LYS A 20 -32.617 -6.776 17.138 1.00 0.00 C ATOM 318 NZ LYS A 20 -32.004 -6.271 15.876 1.00 0.00 N ATOM 0 H LYS A 20 -29.308 -9.938 14.851 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.371 -9.486 17.632 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.988 -10.543 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.698 -10.278 18.167 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.161 -7.848 17.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.572 -8.138 15.978 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.876 -8.872 16.676 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.463 -8.559 18.350 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -33.700 -6.656 17.102 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.260 -6.193 17.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -32.467 -5.382 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -30.989 -6.100 16.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -32.128 -6.977 15.123 1.00 0.00 H new ATOM 332 N ASP A 21 -28.456 -12.373 16.153 1.00 0.00 N ATOM 333 CA ASP A 21 -28.083 -13.803 16.334 1.00 0.00 C ATOM 334 C ASP A 21 -26.675 -13.884 16.927 1.00 0.00 C ATOM 335 O ASP A 21 -25.754 -13.255 16.446 1.00 0.00 O ATOM 336 CB ASP A 21 -28.108 -14.512 14.978 1.00 0.00 C ATOM 337 CG ASP A 21 -29.444 -14.242 14.285 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.368 -13.825 14.963 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.520 -14.456 13.086 1.00 0.00 O ATOM 0 H ASP A 21 -28.629 -12.087 15.189 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.792 -14.285 17.007 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.286 -14.159 14.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.967 -15.584 15.114 1.00 0.00 H new ATOM 344 N LEU A 22 -26.499 -14.652 17.968 1.00 0.00 N ATOM 345 CA LEU A 22 -25.148 -14.763 18.586 1.00 0.00 C ATOM 346 C LEU A 22 -24.378 -15.920 17.945 1.00 0.00 C ATOM 347 O LEU A 22 -24.713 -17.075 18.122 1.00 0.00 O ATOM 348 CB LEU A 22 -25.289 -15.021 20.087 1.00 0.00 C ATOM 349 CG LEU A 22 -23.904 -15.266 20.688 1.00 0.00 C ATOM 350 CD1 LEU A 22 -22.964 -14.127 20.285 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.010 -15.324 22.214 1.00 0.00 C ATOM 0 H LEU A 22 -27.230 -15.205 18.415 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.605 -13.832 18.424 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.763 -14.168 20.572 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.932 -15.884 20.261 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.510 -16.212 20.316 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.977 -14.301 20.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.886 -14.087 19.199 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.359 -13.181 20.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.022 -15.499 22.641 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.405 -14.379 22.587 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.678 -16.136 22.502 1.00 0.00 H new ATOM 363 N LYS A 23 -23.345 -15.619 17.208 1.00 0.00 N ATOM 364 CA LYS A 23 -22.549 -16.702 16.563 1.00 0.00 C ATOM 365 C LYS A 23 -21.090 -16.574 17.005 1.00 0.00 C ATOM 366 O LYS A 23 -20.392 -15.661 16.608 1.00 0.00 O ATOM 367 CB LYS A 23 -22.633 -16.583 15.036 1.00 0.00 C ATOM 368 CG LYS A 23 -23.910 -15.836 14.641 1.00 0.00 C ATOM 369 CD LYS A 23 -24.266 -16.166 13.190 1.00 0.00 C ATOM 370 CE LYS A 23 -24.550 -14.871 12.427 1.00 0.00 C ATOM 371 NZ LYS A 23 -23.866 -14.914 11.104 1.00 0.00 N ATOM 0 H LYS A 23 -23.017 -14.671 17.024 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.948 -17.671 16.862 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -21.759 -16.054 14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.627 -17.575 14.584 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.729 -16.120 15.301 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.766 -14.762 14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.446 -16.707 12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -25.139 -16.818 13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.624 -14.746 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.200 -14.013 13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.059 -14.034 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.841 -15.015 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.220 -15.724 10.556 1.00 0.00 H new ATOM 385 N PRO A 24 -20.627 -17.506 17.851 1.00 0.00 N ATOM 386 CA PRO A 24 -19.251 -17.501 18.368 1.00 0.00 C ATOM 387 C PRO A 24 -18.221 -17.748 17.263 1.00 0.00 C ATOM 388 O PRO A 24 -18.225 -18.773 16.613 1.00 0.00 O ATOM 389 CB PRO A 24 -19.243 -18.656 19.372 1.00 0.00 C ATOM 390 CG PRO A 24 -20.342 -19.553 18.913 1.00 0.00 C ATOM 391 CD PRO A 24 -21.405 -18.645 18.366 1.00 0.00 C ATOM 0 HA PRO A 24 -18.981 -16.539 18.805 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.283 -19.173 19.376 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.418 -18.301 20.388 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.989 -20.246 18.150 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.727 -20.154 19.737 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.984 -19.128 17.579 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.111 -18.337 19.138 1.00 0.00 H new ATOM 399 N VAL A 25 -17.337 -16.810 17.050 1.00 0.00 N ATOM 400 CA VAL A 25 -16.305 -16.984 15.990 1.00 0.00 C ATOM 401 C VAL A 25 -14.927 -17.114 16.636 1.00 0.00 C ATOM 402 O VAL A 25 -14.694 -16.632 17.726 1.00 0.00 O ATOM 403 CB VAL A 25 -16.292 -15.761 15.069 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.701 -15.468 14.554 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.780 -14.549 15.849 1.00 0.00 C ATOM 0 H VAL A 25 -17.286 -15.931 17.565 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.540 -17.880 15.415 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.639 -15.964 14.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.676 -14.596 13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.071 -16.328 13.996 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.363 -15.270 15.397 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.769 -13.675 15.197 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.436 -14.360 16.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.770 -14.747 16.207 1.00 0.00 H new ATOM 415 N CYS A 26 -14.006 -17.743 15.962 1.00 0.00 N ATOM 416 CA CYS A 26 -12.636 -17.877 16.531 1.00 0.00 C ATOM 417 C CYS A 26 -11.752 -16.775 15.942 1.00 0.00 C ATOM 418 O CYS A 26 -11.866 -16.434 14.783 1.00 0.00 O ATOM 419 CB CYS A 26 -12.060 -19.251 16.178 1.00 0.00 C ATOM 420 SG CYS A 26 -10.360 -19.374 16.791 1.00 0.00 S ATOM 0 H CYS A 26 -14.141 -18.169 15.045 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.673 -17.782 17.616 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.673 -20.037 16.618 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.079 -19.398 15.098 1.00 0.00 H new ATOM 425 N GLY A 27 -10.883 -16.204 16.730 1.00 0.00 N ATOM 426 CA GLY A 27 -10.009 -15.115 16.205 1.00 0.00 C ATOM 427 C GLY A 27 -8.638 -15.684 15.836 1.00 0.00 C ATOM 428 O GLY A 27 -8.041 -16.431 16.586 1.00 0.00 O ATOM 0 H GLY A 27 -10.740 -16.443 17.711 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.470 -14.656 15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.898 -14.332 16.955 1.00 0.00 H new ATOM 432 N ASP A 28 -8.132 -15.331 14.685 1.00 0.00 N ATOM 433 CA ASP A 28 -6.797 -15.846 14.268 1.00 0.00 C ATOM 434 C ASP A 28 -5.732 -15.372 15.259 1.00 0.00 C ATOM 435 O ASP A 28 -4.614 -15.848 15.257 1.00 0.00 O ATOM 436 CB ASP A 28 -6.464 -15.323 12.870 1.00 0.00 C ATOM 437 CG ASP A 28 -6.597 -13.799 12.851 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.873 -13.235 13.897 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.422 -13.222 11.792 1.00 0.00 O ATOM 0 H ASP A 28 -8.585 -14.709 14.016 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.817 -16.936 14.253 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.451 -15.614 12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.135 -15.767 12.135 1.00 0.00 H new ATOM 444 N ASP A 29 -6.069 -14.440 16.109 1.00 0.00 N ATOM 445 CA ASP A 29 -5.074 -13.942 17.099 1.00 0.00 C ATOM 446 C ASP A 29 -5.110 -14.828 18.346 1.00 0.00 C ATOM 447 O ASP A 29 -4.600 -14.468 19.389 1.00 0.00 O ATOM 448 CB ASP A 29 -5.416 -12.502 17.485 1.00 0.00 C ATOM 449 CG ASP A 29 -5.081 -11.569 16.320 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.615 -12.062 15.307 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.298 -10.376 16.462 1.00 0.00 O ATOM 0 H ASP A 29 -6.989 -14.003 16.160 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.077 -13.973 16.660 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.474 -12.423 17.736 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.855 -12.209 18.373 1.00 0.00 H new ATOM 456 N GLY A 30 -5.709 -15.984 18.247 1.00 0.00 N ATOM 457 CA GLY A 30 -5.776 -16.890 19.429 1.00 0.00 C ATOM 458 C GLY A 30 -6.888 -16.422 20.370 1.00 0.00 C ATOM 459 O GLY A 30 -6.914 -16.765 21.535 1.00 0.00 O ATOM 0 H GLY A 30 -6.154 -16.339 17.401 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.966 -17.913 19.105 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.820 -16.893 19.952 1.00 0.00 H new ATOM 463 N GLN A 31 -7.808 -15.639 19.876 1.00 0.00 N ATOM 464 CA GLN A 31 -8.918 -15.150 20.744 1.00 0.00 C ATOM 465 C GLN A 31 -10.259 -15.598 20.159 1.00 0.00 C ATOM 466 O GLN A 31 -10.313 -16.238 19.131 1.00 0.00 O ATOM 467 CB GLN A 31 -8.880 -13.623 20.808 1.00 0.00 C ATOM 468 CG GLN A 31 -7.960 -13.181 21.947 1.00 0.00 C ATOM 469 CD GLN A 31 -7.698 -11.679 21.831 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.378 -10.987 21.099 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.735 -11.141 22.527 1.00 0.00 N ATOM 0 H GLN A 31 -7.839 -15.316 18.909 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.801 -15.561 21.747 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.524 -13.218 19.861 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.885 -13.230 20.965 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.419 -13.409 22.909 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.019 -13.730 21.904 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.164 -11.721 23.141 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.553 -10.140 22.457 1.00 0.00 H new ATOM 480 N THR A 32 -11.341 -15.264 20.806 1.00 0.00 N ATOM 481 CA THR A 32 -12.677 -15.671 20.283 1.00 0.00 C ATOM 482 C THR A 32 -13.692 -14.556 20.547 1.00 0.00 C ATOM 483 O THR A 32 -13.721 -13.968 21.610 1.00 0.00 O ATOM 484 CB THR A 32 -13.130 -16.953 20.985 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.069 -17.898 20.972 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.341 -17.535 20.257 1.00 0.00 C ATOM 0 H THR A 32 -11.359 -14.727 21.673 1.00 0.00 H new ATOM 0 HA THR A 32 -12.608 -15.850 19.210 1.00 0.00 H new ATOM 0 HB THR A 32 -13.403 -16.726 22.015 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.843 -18.124 20.045 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.663 -18.448 20.758 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.155 -16.810 20.267 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.071 -17.763 19.226 1.00 0.00 H new ATOM 494 N TYR A 33 -14.524 -14.262 19.585 1.00 0.00 N ATOM 495 CA TYR A 33 -15.536 -13.185 19.776 1.00 0.00 C ATOM 496 C TYR A 33 -16.937 -13.799 19.791 1.00 0.00 C ATOM 497 O TYR A 33 -17.268 -14.635 18.974 1.00 0.00 O ATOM 498 CB TYR A 33 -15.423 -12.176 18.633 1.00 0.00 C ATOM 499 CG TYR A 33 -13.987 -11.723 18.512 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.075 -12.480 17.766 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.567 -10.549 19.148 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.742 -12.062 17.658 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.235 -10.132 19.041 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.323 -10.888 18.295 1.00 0.00 C ATOM 505 OH TYR A 33 -10.009 -10.478 18.190 1.00 0.00 O ATOM 0 H TYR A 33 -14.546 -14.722 18.675 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.358 -12.677 20.724 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.754 -12.628 17.698 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.072 -11.321 18.821 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.399 -13.385 17.274 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.271 -9.964 19.722 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.038 -12.645 17.083 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.911 -9.227 19.534 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.886 -9.644 18.690 1.00 0.00 H new ATOM 515 N ASN A 34 -17.760 -13.395 20.720 1.00 0.00 N ATOM 516 CA ASN A 34 -19.137 -13.960 20.794 1.00 0.00 C ATOM 517 C ASN A 34 -19.837 -13.798 19.442 1.00 0.00 C ATOM 518 O ASN A 34 -19.940 -14.731 18.676 1.00 0.00 O ATOM 519 CB ASN A 34 -19.932 -13.237 21.888 1.00 0.00 C ATOM 520 CG ASN A 34 -19.025 -12.993 23.097 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.389 -13.903 23.589 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.941 -11.791 23.600 1.00 0.00 N ATOM 0 H ASN A 34 -17.538 -12.698 21.431 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.080 -15.021 21.037 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.315 -12.289 21.509 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.795 -13.835 22.181 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.341 -11.616 24.406 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.475 -11.027 23.187 1.00 0.00 H new ATOM 529 N ASN A 35 -20.316 -12.624 19.139 1.00 0.00 N ATOM 530 CA ASN A 35 -21.003 -12.416 17.832 1.00 0.00 C ATOM 531 C ASN A 35 -19.949 -12.187 16.745 1.00 0.00 C ATOM 532 O ASN A 35 -18.898 -11.634 17.002 1.00 0.00 O ATOM 533 CB ASN A 35 -21.936 -11.206 17.945 1.00 0.00 C ATOM 534 CG ASN A 35 -22.395 -10.759 16.557 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.591 -10.388 15.729 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.670 -10.775 16.270 1.00 0.00 N ATOM 0 H ASN A 35 -20.262 -11.800 19.738 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.595 -13.293 17.569 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.801 -11.461 18.557 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.421 -10.387 18.447 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.989 -10.475 15.349 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.346 -11.087 16.967 1.00 0.00 H new ATOM 543 N PRO A 36 -20.231 -12.624 15.506 1.00 0.00 N ATOM 544 CA PRO A 36 -19.297 -12.468 14.381 1.00 0.00 C ATOM 545 C PRO A 36 -19.054 -10.996 14.046 1.00 0.00 C ATOM 546 O PRO A 36 -17.928 -10.542 13.989 1.00 0.00 O ATOM 547 CB PRO A 36 -20.011 -13.175 13.226 1.00 0.00 C ATOM 548 CG PRO A 36 -21.451 -13.127 13.603 1.00 0.00 C ATOM 549 CD PRO A 36 -21.475 -13.297 15.095 1.00 0.00 C ATOM 0 HA PRO A 36 -18.312 -12.881 14.599 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.831 -12.670 12.277 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.663 -14.202 13.111 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.904 -12.181 13.307 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.014 -13.918 13.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.355 -12.835 15.543 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.484 -14.348 15.385 1.00 0.00 H new ATOM 557 N CYS A 37 -20.096 -10.239 13.843 1.00 0.00 N ATOM 558 CA CYS A 37 -19.907 -8.796 13.536 1.00 0.00 C ATOM 559 C CYS A 37 -19.218 -8.136 14.732 1.00 0.00 C ATOM 560 O CYS A 37 -18.490 -7.174 14.594 1.00 0.00 O ATOM 561 CB CYS A 37 -21.269 -8.141 13.291 1.00 0.00 C ATOM 562 SG CYS A 37 -21.082 -6.340 13.257 1.00 0.00 S ATOM 0 H CYS A 37 -21.065 -10.556 13.876 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.295 -8.676 12.642 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.687 -8.491 12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.968 -8.429 14.076 1.00 0.00 H new ATOM 567 N MET A 38 -19.441 -8.662 15.907 1.00 0.00 N ATOM 568 CA MET A 38 -18.799 -8.085 17.122 1.00 0.00 C ATOM 569 C MET A 38 -17.294 -8.354 17.074 1.00 0.00 C ATOM 570 O MET A 38 -16.528 -7.785 17.828 1.00 0.00 O ATOM 571 CB MET A 38 -19.393 -8.740 18.372 1.00 0.00 C ATOM 572 CG MET A 38 -20.582 -7.913 18.865 1.00 0.00 C ATOM 573 SD MET A 38 -19.994 -6.313 19.475 1.00 0.00 S ATOM 574 CE MET A 38 -19.061 -6.939 20.894 1.00 0.00 C ATOM 0 H MET A 38 -20.042 -9.469 16.077 1.00 0.00 H new ATOM 0 HA MET A 38 -18.978 -7.010 17.155 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.713 -9.757 18.146 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.636 -8.810 19.153 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.296 -7.765 18.055 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.106 -8.446 19.658 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.014 -6.171 21.666 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.556 -7.825 21.293 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.050 -7.199 20.579 1.00 0.00 H new ATOM 584 N LEU A 39 -16.861 -9.214 16.193 1.00 0.00 N ATOM 585 CA LEU A 39 -15.405 -9.512 16.100 1.00 0.00 C ATOM 586 C LEU A 39 -14.678 -8.275 15.579 1.00 0.00 C ATOM 587 O LEU A 39 -13.734 -7.800 16.180 1.00 0.00 O ATOM 588 CB LEU A 39 -15.178 -10.688 15.149 1.00 0.00 C ATOM 589 CG LEU A 39 -13.685 -11.017 15.101 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.491 -12.480 14.691 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.005 -10.114 14.079 1.00 0.00 C ATOM 0 H LEU A 39 -17.452 -9.722 15.535 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.019 -9.776 17.085 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.743 -11.557 15.485 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.540 -10.439 14.151 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.247 -10.857 16.086 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.426 -12.710 14.658 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.980 -13.129 15.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.928 -12.643 13.706 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.940 -10.345 14.041 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.447 -10.279 13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.140 -9.072 14.367 1.00 0.00 H new ATOM 603 N CYS A 40 -15.116 -7.734 14.475 1.00 0.00 N ATOM 604 CA CYS A 40 -14.449 -6.517 13.941 1.00 0.00 C ATOM 605 C CYS A 40 -14.587 -5.403 14.976 1.00 0.00 C ATOM 606 O CYS A 40 -13.701 -4.591 15.153 1.00 0.00 O ATOM 607 CB CYS A 40 -15.104 -6.102 12.623 1.00 0.00 C ATOM 608 SG CYS A 40 -14.553 -4.439 12.165 1.00 0.00 S ATOM 0 H CYS A 40 -15.902 -8.080 13.924 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.394 -6.716 13.750 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.844 -6.811 11.837 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.189 -6.121 12.723 1.00 0.00 H new ATOM 613 N HIS A 41 -15.683 -5.377 15.683 1.00 0.00 N ATOM 614 CA HIS A 41 -15.863 -4.337 16.730 1.00 0.00 C ATOM 615 C HIS A 41 -14.623 -4.348 17.617 1.00 0.00 C ATOM 616 O HIS A 41 -14.044 -3.322 17.917 1.00 0.00 O ATOM 617 CB HIS A 41 -17.093 -4.670 17.570 1.00 0.00 C ATOM 618 CG HIS A 41 -18.038 -3.500 17.570 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.665 -2.251 18.041 1.00 0.00 N ATOM 620 CD2 HIS A 41 -19.342 -3.374 17.163 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.727 -1.435 17.909 1.00 0.00 C ATOM 622 NE2 HIS A 41 -19.776 -2.069 17.378 1.00 0.00 N ATOM 0 H HIS A 41 -16.459 -6.030 15.580 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.999 -3.356 16.276 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.591 -5.552 17.169 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.795 -4.909 18.591 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -16.752 -1.997 18.419 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -19.941 -4.167 16.740 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.731 -0.394 18.197 1.00 0.00 H new ATOM 630 N GLU A 42 -14.200 -5.514 18.024 1.00 0.00 N ATOM 631 CA GLU A 42 -12.986 -5.614 18.875 1.00 0.00 C ATOM 632 C GLU A 42 -11.781 -5.169 18.050 1.00 0.00 C ATOM 633 O GLU A 42 -10.832 -4.609 18.562 1.00 0.00 O ATOM 634 CB GLU A 42 -12.796 -7.067 19.318 1.00 0.00 C ATOM 635 CG GLU A 42 -13.565 -7.313 20.618 1.00 0.00 C ATOM 636 CD GLU A 42 -13.148 -6.279 21.667 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.057 -5.748 21.545 1.00 0.00 O ATOM 638 OE2 GLU A 42 -13.929 -6.036 22.572 1.00 0.00 O ATOM 0 H GLU A 42 -14.647 -6.404 17.801 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.089 -4.982 19.757 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.150 -7.744 18.541 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.737 -7.277 19.465 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.638 -7.248 20.435 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.365 -8.319 20.986 1.00 0.00 H new ATOM 645 N ASN A 43 -11.819 -5.413 16.768 1.00 0.00 N ATOM 646 CA ASN A 43 -10.683 -5.002 15.896 1.00 0.00 C ATOM 647 C ASN A 43 -10.638 -3.475 15.806 1.00 0.00 C ATOM 648 O ASN A 43 -9.611 -2.889 15.526 1.00 0.00 O ATOM 649 CB ASN A 43 -10.882 -5.585 14.495 1.00 0.00 C ATOM 650 CG ASN A 43 -10.306 -7.001 14.441 1.00 0.00 C ATOM 651 OD1 ASN A 43 -9.183 -7.228 14.846 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.033 -7.968 13.952 1.00 0.00 N ATOM 0 H ASN A 43 -12.588 -5.879 16.287 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.748 -5.371 16.317 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.943 -5.603 14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.391 -4.954 13.754 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.659 -8.916 13.909 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.975 -7.776 13.612 1.00 0.00 H new ATOM 659 N LEU A 44 -11.747 -2.826 16.040 1.00 0.00 N ATOM 660 CA LEU A 44 -11.775 -1.338 15.965 1.00 0.00 C ATOM 661 C LEU A 44 -11.033 -0.748 17.166 1.00 0.00 C ATOM 662 O LEU A 44 -10.364 0.260 17.061 1.00 0.00 O ATOM 663 CB LEU A 44 -13.229 -0.860 15.979 1.00 0.00 C ATOM 664 CG LEU A 44 -13.298 0.601 15.528 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.671 1.497 16.597 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.536 0.768 14.212 1.00 0.00 C ATOM 0 H LEU A 44 -12.636 -3.264 16.280 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.289 -1.011 15.046 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.833 -1.483 15.319 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.645 -0.961 16.981 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.340 0.885 15.382 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.721 2.537 16.275 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.216 1.381 17.534 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.629 1.212 16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.586 1.809 13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.494 0.482 14.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.984 0.132 13.449 1.00 0.00 H new ATOM 678 N ILE A 45 -11.147 -1.368 18.307 1.00 0.00 N ATOM 679 CA ILE A 45 -10.448 -0.841 19.513 1.00 0.00 C ATOM 680 C ILE A 45 -8.966 -1.221 19.448 1.00 0.00 C ATOM 681 O ILE A 45 -8.097 -0.407 19.688 1.00 0.00 O ATOM 682 CB ILE A 45 -11.075 -1.439 20.775 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.591 -1.558 20.592 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.777 -0.532 21.970 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.161 -0.211 20.139 1.00 0.00 C ATOM 0 H ILE A 45 -11.693 -2.216 18.457 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.545 0.244 19.543 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.654 -2.429 20.953 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.819 -2.327 19.854 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.057 -1.865 21.528 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.223 -0.957 22.869 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.698 -0.449 22.104 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.197 0.458 21.789 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.240 -0.298 20.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.946 0.547 20.892 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.704 0.078 19.193 1.00 0.00 H new ATOM 697 N ARG A 46 -8.672 -2.452 19.126 1.00 0.00 N ATOM 698 CA ARG A 46 -7.246 -2.880 19.050 1.00 0.00 C ATOM 699 C ARG A 46 -6.657 -2.467 17.699 1.00 0.00 C ATOM 700 O ARG A 46 -5.491 -2.144 17.592 1.00 0.00 O ATOM 701 CB ARG A 46 -7.163 -4.401 19.200 1.00 0.00 C ATOM 702 CG ARG A 46 -7.713 -4.804 20.570 1.00 0.00 C ATOM 703 CD ARG A 46 -7.544 -6.312 20.766 1.00 0.00 C ATOM 704 NE ARG A 46 -8.272 -6.738 21.993 1.00 0.00 N ATOM 705 CZ ARG A 46 -8.211 -6.010 23.075 1.00 0.00 C ATOM 706 NH1 ARG A 46 -7.052 -5.668 23.568 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.309 -5.625 23.664 1.00 0.00 N ATOM 0 H ARG A 46 -9.356 -3.178 18.913 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.681 -2.403 19.851 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.733 -4.888 18.409 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.130 -4.732 19.098 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.188 -4.263 21.358 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.766 -4.533 20.645 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.928 -6.848 19.898 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.487 -6.562 20.852 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.819 -7.599 21.988 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.193 -5.969 23.108 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.005 -5.099 24.413 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.215 -5.893 23.279 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.262 -5.056 24.509 1.00 0.00 H new ATOM 721 N GLN A 47 -7.455 -2.471 16.669 1.00 0.00 N ATOM 722 CA GLN A 47 -6.943 -2.075 15.327 1.00 0.00 C ATOM 723 C GLN A 47 -5.848 -3.050 14.886 1.00 0.00 C ATOM 724 O GLN A 47 -4.906 -2.678 14.215 1.00 0.00 O ATOM 725 CB GLN A 47 -6.367 -0.660 15.399 1.00 0.00 C ATOM 726 CG GLN A 47 -7.467 0.317 15.821 1.00 0.00 C ATOM 727 CD GLN A 47 -6.877 1.723 15.959 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.676 1.883 16.049 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.677 2.754 15.981 1.00 0.00 N ATOM 0 H GLN A 47 -8.441 -2.732 16.698 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.760 -2.100 14.606 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.543 -0.627 16.112 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.961 -0.371 14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.269 0.319 15.083 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.905 0.001 16.768 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.685 2.619 15.905 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.294 3.695 16.074 1.00 0.00 H new ATOM 738 N THR A 48 -5.966 -4.296 15.254 1.00 0.00 N ATOM 739 CA THR A 48 -4.932 -5.294 14.852 1.00 0.00 C ATOM 740 C THR A 48 -5.391 -6.020 13.585 1.00 0.00 C ATOM 741 O THR A 48 -4.773 -6.969 13.144 1.00 0.00 O ATOM 742 CB THR A 48 -4.735 -6.310 15.980 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.929 -7.059 16.154 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.397 -5.573 17.278 1.00 0.00 C ATOM 0 H THR A 48 -6.733 -4.667 15.815 1.00 0.00 H new ATOM 0 HA THR A 48 -3.990 -4.782 14.657 1.00 0.00 H new ATOM 0 HB THR A 48 -3.918 -6.985 15.725 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.853 -7.911 15.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.257 -6.296 18.081 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.480 -4.999 17.142 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.213 -4.898 17.536 1.00 0.00 H new ATOM 752 N ASN A 49 -6.469 -5.580 12.995 1.00 0.00 N ATOM 753 CA ASN A 49 -6.968 -6.242 11.757 1.00 0.00 C ATOM 754 C ASN A 49 -7.112 -7.746 12.000 1.00 0.00 C ATOM 755 O ASN A 49 -6.656 -8.557 11.220 1.00 0.00 O ATOM 756 CB ASN A 49 -5.982 -5.999 10.613 1.00 0.00 C ATOM 757 CG ASN A 49 -6.654 -6.337 9.281 1.00 0.00 C ATOM 758 OD1 ASN A 49 -7.865 -6.347 9.184 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.914 -6.616 8.243 1.00 0.00 N ATOM 0 H ASN A 49 -7.026 -4.789 13.318 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.940 -5.825 11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.656 -4.959 10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.092 -6.613 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.352 -6.842 7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.897 -6.608 8.324 1.00 0.00 H new ATOM 766 N THR A 50 -7.747 -8.121 13.075 1.00 0.00 N ATOM 767 CA THR A 50 -7.927 -9.570 13.368 1.00 0.00 C ATOM 768 C THR A 50 -9.103 -10.111 12.550 1.00 0.00 C ATOM 769 O THR A 50 -10.049 -9.404 12.265 1.00 0.00 O ATOM 770 CB THR A 50 -8.216 -9.759 14.859 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.191 -9.134 15.619 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.261 -11.252 15.190 1.00 0.00 C ATOM 0 H THR A 50 -8.150 -7.486 13.764 1.00 0.00 H new ATOM 0 HA THR A 50 -7.018 -10.110 13.103 1.00 0.00 H new ATOM 0 HB THR A 50 -9.178 -9.308 15.103 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.819 -9.777 16.258 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.467 -11.383 16.252 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.047 -11.731 14.606 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.301 -11.708 14.948 1.00 0.00 H new ATOM 780 N HIS A 51 -9.056 -11.359 12.176 1.00 0.00 N ATOM 781 CA HIS A 51 -10.177 -11.939 11.384 1.00 0.00 C ATOM 782 C HIS A 51 -10.671 -13.215 12.065 1.00 0.00 C ATOM 783 O HIS A 51 -10.199 -13.590 13.122 1.00 0.00 O ATOM 784 CB HIS A 51 -9.695 -12.280 9.975 1.00 0.00 C ATOM 785 CG HIS A 51 -8.850 -11.158 9.440 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.499 -11.047 9.729 1.00 0.00 N ATOM 787 CD2 HIS A 51 -9.148 -10.093 8.627 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.038 -9.953 9.098 1.00 0.00 C ATOM 789 NE2 HIS A 51 -8.003 -9.333 8.411 1.00 0.00 N ATOM 0 H HIS A 51 -8.292 -12.002 12.384 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.987 -11.212 11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.119 -13.205 9.992 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.549 -12.448 9.319 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.954 -11.680 10.314 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.124 -9.878 8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.013 -9.616 9.141 1.00 0.00 H new ATOM 797 N ILE A 52 -11.612 -13.888 11.465 1.00 0.00 N ATOM 798 CA ILE A 52 -12.130 -15.141 12.074 1.00 0.00 C ATOM 799 C ILE A 52 -11.233 -16.312 11.671 1.00 0.00 C ATOM 800 O ILE A 52 -10.961 -16.528 10.507 1.00 0.00 O ATOM 801 CB ILE A 52 -13.552 -15.405 11.581 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.429 -14.186 11.874 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.113 -16.630 12.305 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.878 -14.501 11.503 1.00 0.00 C ATOM 0 H ILE A 52 -12.044 -13.624 10.580 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.135 -15.037 13.159 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.542 -15.588 10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.362 -13.921 12.929 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.076 -13.325 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.128 -16.825 11.958 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.485 -17.496 12.095 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.126 -16.444 13.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.504 -13.633 11.711 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.937 -14.745 10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.228 -15.350 12.090 1.00 0.00 H new ATOM 816 N ARG A 53 -10.777 -17.072 12.625 1.00 0.00 N ATOM 817 CA ARG A 53 -9.903 -18.232 12.303 1.00 0.00 C ATOM 818 C ARG A 53 -10.778 -19.427 11.928 1.00 0.00 C ATOM 819 O ARG A 53 -10.465 -20.188 11.034 1.00 0.00 O ATOM 820 CB ARG A 53 -9.058 -18.582 13.529 1.00 0.00 C ATOM 821 CG ARG A 53 -8.281 -19.873 13.266 1.00 0.00 C ATOM 822 CD ARG A 53 -7.480 -20.249 14.514 1.00 0.00 C ATOM 823 NE ARG A 53 -6.571 -21.387 14.197 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.303 -21.170 13.976 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.432 -21.358 14.929 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.906 -20.764 12.801 1.00 0.00 N ATOM 0 H ARG A 53 -10.973 -16.939 13.617 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.247 -17.982 11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.367 -17.769 13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.699 -18.703 14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.969 -20.678 13.006 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.611 -19.740 12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.901 -19.392 14.859 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.156 -20.524 15.324 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.940 -22.337 14.153 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.742 -21.675 15.848 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.441 -21.188 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.587 -20.616 12.056 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.915 -20.594 12.628 1.00 0.00 H new ATOM 840 N SER A 54 -11.876 -19.589 12.608 1.00 0.00 N ATOM 841 CA SER A 54 -12.790 -20.723 12.307 1.00 0.00 C ATOM 842 C SER A 54 -14.169 -20.409 12.885 1.00 0.00 C ATOM 843 O SER A 54 -14.289 -19.736 13.889 1.00 0.00 O ATOM 844 CB SER A 54 -12.247 -22.005 12.941 1.00 0.00 C ATOM 845 OG SER A 54 -12.550 -23.114 12.104 1.00 0.00 O ATOM 0 H SER A 54 -12.182 -18.979 13.366 1.00 0.00 H new ATOM 0 HA SER A 54 -12.863 -20.864 11.229 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.169 -21.926 13.081 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.687 -22.150 13.928 1.00 0.00 H new ATOM 0 HG SER A 54 -12.201 -23.935 12.509 1.00 0.00 H new ATOM 851 N THR A 55 -15.211 -20.885 12.265 1.00 0.00 N ATOM 852 CA THR A 55 -16.574 -20.600 12.791 1.00 0.00 C ATOM 853 C THR A 55 -16.759 -21.305 14.136 1.00 0.00 C ATOM 854 O THR A 55 -16.395 -22.452 14.304 1.00 0.00 O ATOM 855 CB THR A 55 -17.623 -21.102 11.797 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.646 -22.523 11.811 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.276 -20.609 10.392 1.00 0.00 C ATOM 0 H THR A 55 -15.179 -21.456 11.421 1.00 0.00 H new ATOM 0 HA THR A 55 -16.694 -19.525 12.927 1.00 0.00 H new ATOM 0 HB THR A 55 -18.604 -20.720 12.081 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.319 -22.846 11.176 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.024 -20.968 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.261 -19.519 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.295 -20.988 10.105 1.00 0.00 H new ATOM 865 N GLY A 56 -17.322 -20.622 15.093 1.00 0.00 N ATOM 866 CA GLY A 56 -17.533 -21.240 16.431 1.00 0.00 C ATOM 867 C GLY A 56 -16.371 -20.867 17.348 1.00 0.00 C ATOM 868 O GLY A 56 -15.316 -20.460 16.901 1.00 0.00 O ATOM 0 H GLY A 56 -17.646 -19.659 15.005 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.474 -20.895 16.859 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.604 -22.324 16.337 1.00 0.00 H new ATOM 872 N LYS A 57 -16.556 -21.006 18.627 1.00 0.00 N ATOM 873 CA LYS A 57 -15.464 -20.663 19.580 1.00 0.00 C ATOM 874 C LYS A 57 -14.171 -21.347 19.134 1.00 0.00 C ATOM 875 O LYS A 57 -14.191 -22.418 18.560 1.00 0.00 O ATOM 876 CB LYS A 57 -15.837 -21.141 20.985 1.00 0.00 C ATOM 877 CG LYS A 57 -14.797 -20.636 21.989 1.00 0.00 C ATOM 878 CD LYS A 57 -15.038 -21.293 23.349 1.00 0.00 C ATOM 879 CE LYS A 57 -14.161 -20.617 24.405 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.546 -19.183 24.525 1.00 0.00 N ATOM 0 H LYS A 57 -17.417 -21.343 19.057 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.321 -19.583 19.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.827 -20.773 21.255 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.883 -22.230 21.010 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.792 -20.867 21.635 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.861 -19.552 22.081 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.089 -21.208 23.625 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.808 -22.357 23.297 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.279 -21.118 25.366 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.110 -20.701 24.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.630 -18.929 25.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.819 -18.590 24.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.459 -19.028 24.051 1.00 0.00 H new ATOM 894 N CYS A 58 -13.049 -20.736 19.388 1.00 0.00 N ATOM 895 CA CYS A 58 -11.755 -21.349 18.974 1.00 0.00 C ATOM 896 C CYS A 58 -11.688 -22.792 19.476 1.00 0.00 C ATOM 897 O CYS A 58 -11.069 -23.642 18.868 1.00 0.00 O ATOM 898 CB CYS A 58 -10.599 -20.548 19.572 1.00 0.00 C ATOM 899 SG CYS A 58 -10.506 -18.934 18.758 1.00 0.00 S ATOM 0 H CYS A 58 -12.971 -19.838 19.865 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.681 -21.340 17.887 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.747 -20.419 20.644 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.661 -21.088 19.442 1.00 0.00 H new ATOM 904 N GLU A 59 -12.322 -23.075 20.579 1.00 0.00 N ATOM 905 CA GLU A 59 -12.294 -24.464 21.117 1.00 0.00 C ATOM 906 C GLU A 59 -13.386 -25.288 20.434 1.00 0.00 C ATOM 907 O GLU A 59 -13.256 -26.482 20.250 1.00 0.00 O ATOM 908 CB GLU A 59 -12.543 -24.439 22.628 1.00 0.00 C ATOM 909 CG GLU A 59 -11.850 -23.219 23.240 1.00 0.00 C ATOM 910 CD GLU A 59 -12.064 -23.219 24.756 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.115 -23.667 25.185 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.175 -22.770 25.461 1.00 0.00 O ATOM 0 H GLU A 59 -12.858 -22.406 21.131 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.319 -24.910 20.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.613 -24.402 22.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.164 -25.353 23.085 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.784 -23.240 23.012 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.251 -22.303 22.805 1.00 0.00 H new ATOM 919 N GLU A 60 -14.461 -24.656 20.049 1.00 0.00 N ATOM 920 CA GLU A 60 -15.559 -25.397 19.369 1.00 0.00 C ATOM 921 C GLU A 60 -15.011 -26.019 18.081 1.00 0.00 C ATOM 922 O GLU A 60 -15.606 -26.910 17.506 1.00 0.00 O ATOM 923 CB GLU A 60 -16.705 -24.422 19.052 1.00 0.00 C ATOM 924 CG GLU A 60 -17.517 -24.920 17.850 1.00 0.00 C ATOM 925 CD GLU A 60 -18.731 -24.013 17.644 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.840 -23.031 18.358 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.532 -24.317 16.774 1.00 0.00 O ATOM 0 H GLU A 60 -14.626 -23.657 20.176 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.941 -26.189 20.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.355 -24.321 19.921 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.300 -23.432 18.840 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.896 -24.923 16.954 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.841 -25.947 18.017 1.00 0.00 H new ATOM 934 N SER A 61 -13.881 -25.553 17.626 1.00 0.00 N ATOM 935 CA SER A 61 -13.289 -26.112 16.379 1.00 0.00 C ATOM 936 C SER A 61 -12.762 -27.522 16.651 1.00 0.00 C ATOM 937 O SER A 61 -12.234 -27.805 17.708 1.00 0.00 O ATOM 938 CB SER A 61 -12.136 -25.218 15.920 1.00 0.00 C ATOM 939 OG SER A 61 -12.604 -23.886 15.759 1.00 0.00 O ATOM 0 H SER A 61 -13.341 -24.807 18.065 1.00 0.00 H new ATOM 0 HA SER A 61 -14.051 -26.153 15.601 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.328 -25.245 16.651 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.728 -25.587 14.979 1.00 0.00 H new ATOM 0 HG SER A 61 -11.841 -23.285 15.624 1.00 0.00 H new ATOM 945 N SER A 62 -12.900 -28.411 15.705 1.00 0.00 N ATOM 946 CA SER A 62 -12.405 -29.801 15.910 1.00 0.00 C ATOM 947 C SER A 62 -11.276 -30.091 14.918 1.00 0.00 C ATOM 948 O SER A 62 -11.213 -29.513 13.850 1.00 0.00 O ATOM 949 CB SER A 62 -13.550 -30.790 15.683 1.00 0.00 C ATOM 950 OG SER A 62 -13.952 -30.743 14.323 1.00 0.00 O ATOM 0 H SER A 62 -13.334 -28.234 14.799 1.00 0.00 H new ATOM 0 HA SER A 62 -12.031 -29.907 16.928 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.231 -31.799 15.944 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.391 -30.544 16.331 1.00 0.00 H new ATOM 0 HG SER A 62 -14.684 -31.377 14.176 1.00 0.00 H new ATOM 956 N THR A 63 -10.386 -30.981 15.259 1.00 0.00 N ATOM 957 CA THR A 63 -9.265 -31.305 14.332 1.00 0.00 C ATOM 958 C THR A 63 -9.829 -31.884 13.033 1.00 0.00 C ATOM 959 O THR A 63 -10.971 -32.293 12.971 1.00 0.00 O ATOM 960 CB THR A 63 -8.339 -32.330 14.990 1.00 0.00 C ATOM 961 OG1 THR A 63 -9.114 -33.251 15.744 1.00 0.00 O ATOM 962 CG2 THR A 63 -7.353 -31.612 15.912 1.00 0.00 C ATOM 0 H THR A 63 -10.386 -31.498 16.138 1.00 0.00 H new ATOM 0 HA THR A 63 -8.702 -30.398 14.110 1.00 0.00 H new ATOM 0 HB THR A 63 -7.785 -32.867 14.220 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.522 -33.909 16.165 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.694 -32.343 16.380 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.758 -30.907 15.331 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.903 -31.073 16.683 1.00 0.00 H new ATOM 970 N PRO A 64 -9.005 -31.915 11.976 1.00 0.00 N ATOM 971 CA PRO A 64 -9.415 -32.442 10.669 1.00 0.00 C ATOM 972 C PRO A 64 -9.544 -33.968 10.690 1.00 0.00 C ATOM 973 O PRO A 64 -10.208 -34.556 9.860 1.00 0.00 O ATOM 974 CB PRO A 64 -8.276 -32.027 9.741 1.00 0.00 C ATOM 975 CG PRO A 64 -7.090 -31.884 10.635 1.00 0.00 C ATOM 976 CD PRO A 64 -7.611 -31.438 11.974 1.00 0.00 C ATOM 0 HA PRO A 64 -10.390 -32.063 10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.102 -32.776 8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.502 -31.091 9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.555 -32.830 10.723 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.386 -31.156 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.037 -31.872 12.793 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.557 -30.355 12.085 1.00 0.00 H new ATOM 984 N GLY A 65 -8.911 -34.612 11.631 1.00 0.00 N ATOM 985 CA GLY A 65 -8.994 -36.098 11.704 1.00 0.00 C ATOM 986 C GLY A 65 -7.981 -36.712 10.736 1.00 0.00 C ATOM 987 O GLY A 65 -8.093 -37.860 10.352 1.00 0.00 O ATOM 0 H GLY A 65 -8.339 -34.173 12.353 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.792 -36.435 12.721 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.001 -36.430 11.452 1.00 0.00 H new ATOM 991 N THR A 66 -6.994 -35.957 10.339 1.00 0.00 N ATOM 992 CA THR A 66 -5.975 -36.497 9.396 1.00 0.00 C ATOM 993 C THR A 66 -4.589 -36.410 10.040 1.00 0.00 C ATOM 994 O THR A 66 -4.234 -35.414 10.637 1.00 0.00 O ATOM 995 CB THR A 66 -5.990 -35.677 8.104 1.00 0.00 C ATOM 996 OG1 THR A 66 -7.310 -35.652 7.577 1.00 0.00 O ATOM 997 CG2 THR A 66 -5.043 -36.311 7.083 1.00 0.00 C ATOM 0 H THR A 66 -6.849 -34.989 10.627 1.00 0.00 H new ATOM 0 HA THR A 66 -6.206 -37.538 9.168 1.00 0.00 H new ATOM 0 HB THR A 66 -5.663 -34.659 8.315 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.322 -35.126 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.055 -35.726 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.031 -36.330 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.367 -37.329 6.869 1.00 0.00 H new ATOM 1005 N THR A 67 -3.804 -37.446 9.922 1.00 0.00 N ATOM 1006 CA THR A 67 -2.443 -37.421 10.528 1.00 0.00 C ATOM 1007 C THR A 67 -1.395 -37.687 9.445 1.00 0.00 C ATOM 1008 O THR A 67 -1.709 -38.142 8.362 1.00 0.00 O ATOM 1009 CB THR A 67 -2.346 -38.501 11.608 1.00 0.00 C ATOM 1010 OG1 THR A 67 -2.262 -39.778 10.991 1.00 0.00 O ATOM 1011 CG2 THR A 67 -3.586 -38.444 12.502 1.00 0.00 C ATOM 0 H THR A 67 -4.046 -38.308 9.433 1.00 0.00 H new ATOM 0 HA THR A 67 -2.263 -36.443 10.974 1.00 0.00 H new ATOM 0 HB THR A 67 -1.456 -38.331 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.398 -40.189 11.205 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.516 -39.214 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.649 -37.464 12.974 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.478 -38.614 11.899 1.00 0.00 H new ATOM 1019 N ALA A 68 -0.152 -37.407 9.729 1.00 0.00 N ATOM 1020 CA ALA A 68 0.914 -37.646 8.716 1.00 0.00 C ATOM 1021 C ALA A 68 0.994 -39.141 8.401 1.00 0.00 C ATOM 1022 O ALA A 68 1.282 -39.536 7.289 1.00 0.00 O ATOM 1023 CB ALA A 68 2.259 -37.168 9.270 1.00 0.00 C ATOM 0 H ALA A 68 0.171 -37.024 10.617 1.00 0.00 H new ATOM 0 HA ALA A 68 0.679 -37.096 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.040 -37.342 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.202 -36.103 9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.493 -37.718 10.181 1.00 0.00 H new ATOM 1029 N ALA A 69 0.739 -39.974 9.372 1.00 0.00 N ATOM 1030 CA ALA A 69 0.800 -41.443 9.129 1.00 0.00 C ATOM 1031 C ALA A 69 -0.283 -42.141 9.954 1.00 0.00 C ATOM 1032 O ALA A 69 -0.725 -41.638 10.969 1.00 0.00 O ATOM 1033 CB ALA A 69 2.174 -41.973 9.541 1.00 0.00 C ATOM 0 H ALA A 69 0.491 -39.701 10.323 1.00 0.00 H new ATOM 0 HA ALA A 69 0.637 -41.642 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.218 -43.047 9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.947 -41.476 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.338 -41.774 10.600 1.00 0.00 H new ATOM 1039 N SER A 70 -0.715 -43.296 9.528 1.00 0.00 N ATOM 1040 CA SER A 70 -1.769 -44.025 10.288 1.00 0.00 C ATOM 1041 C SER A 70 -1.264 -44.319 11.702 1.00 0.00 C ATOM 1042 O SER A 70 -2.030 -44.403 12.641 1.00 0.00 O ATOM 1043 CB SER A 70 -2.094 -45.339 9.577 1.00 0.00 C ATOM 1044 OG SER A 70 -2.460 -45.072 8.232 1.00 0.00 O ATOM 0 H SER A 70 -0.383 -43.767 8.686 1.00 0.00 H new ATOM 0 HA SER A 70 -2.668 -43.412 10.344 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.230 -46.003 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.907 -45.852 10.091 1.00 0.00 H new ATOM 0 HG SER A 70 -2.667 -45.914 7.776 1.00 0.00 H new ATOM 1050 N MET A 71 0.021 -44.478 11.860 1.00 0.00 N ATOM 1051 CA MET A 71 0.575 -44.767 13.213 1.00 0.00 C ATOM 1052 C MET A 71 0.557 -43.489 14.055 1.00 0.00 C ATOM 1053 O MET A 71 0.752 -42.401 13.551 1.00 0.00 O ATOM 1054 CB MET A 71 2.014 -45.269 13.078 1.00 0.00 C ATOM 1055 CG MET A 71 2.012 -46.653 12.425 1.00 0.00 C ATOM 1056 SD MET A 71 3.717 -47.219 12.203 1.00 0.00 S ATOM 1057 CE MET A 71 3.524 -47.866 10.524 1.00 0.00 C ATOM 0 H MET A 71 0.711 -44.420 11.111 1.00 0.00 H new ATOM 0 HA MET A 71 -0.032 -45.531 13.699 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.599 -44.572 12.477 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.487 -45.319 14.059 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.461 -47.359 13.046 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.503 -46.612 11.462 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.474 -48.274 10.180 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.770 -48.653 10.522 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.211 -47.062 9.858 1.00 0.00 H new ATOM 1067 N PRO A 72 0.319 -43.632 15.367 1.00 0.00 N ATOM 1068 CA PRO A 72 0.273 -42.493 16.293 1.00 0.00 C ATOM 1069 C PRO A 72 1.660 -41.884 16.516 1.00 0.00 C ATOM 1070 O PRO A 72 2.661 -42.572 16.482 1.00 0.00 O ATOM 1071 CB PRO A 72 -0.242 -43.110 17.593 1.00 0.00 C ATOM 1072 CG PRO A 72 0.143 -44.548 17.505 1.00 0.00 C ATOM 1073 CD PRO A 72 0.074 -44.914 16.049 1.00 0.00 C ATOM 0 HA PRO A 72 -0.349 -41.683 15.914 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.207 -42.632 18.464 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.322 -42.994 17.687 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.147 -44.707 17.899 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.532 -45.168 18.094 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.824 -45.660 15.785 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.898 -45.331 15.784 1.00 0.00 H new ATOM 1081 N PRO A 73 1.713 -40.565 16.747 1.00 0.00 N ATOM 1082 CA PRO A 73 2.974 -39.851 16.976 1.00 0.00 C ATOM 1083 C PRO A 73 3.572 -40.181 18.347 1.00 0.00 C ATOM 1084 O PRO A 73 4.731 -39.927 18.608 1.00 0.00 O ATOM 1085 CB PRO A 73 2.568 -38.379 16.928 1.00 0.00 C ATOM 1086 CG PRO A 73 1.122 -38.373 17.302 1.00 0.00 C ATOM 1087 CD PRO A 73 0.545 -39.668 16.801 1.00 0.00 C ATOM 0 HA PRO A 73 3.735 -40.122 16.244 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.159 -37.782 17.622 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.722 -37.958 15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.001 -38.287 18.382 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.609 -37.521 16.855 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.225 -40.051 17.471 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.084 -39.550 15.821 1.00 0.00 H new ATOM 1095 N SER A 74 2.789 -40.747 19.225 1.00 0.00 N ATOM 1096 CA SER A 74 3.310 -41.093 20.577 1.00 0.00 C ATOM 1097 C SER A 74 2.643 -42.378 21.069 1.00 0.00 C ATOM 1098 O SER A 74 1.545 -42.712 20.667 1.00 0.00 O ATOM 1099 CB SER A 74 3.000 -39.952 21.548 1.00 0.00 C ATOM 1100 OG SER A 74 1.599 -39.877 21.758 1.00 0.00 O ATOM 0 H SER A 74 1.810 -40.985 19.064 1.00 0.00 H new ATOM 0 HA SER A 74 4.388 -41.243 20.524 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.512 -40.118 22.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.369 -39.008 21.147 1.00 0.00 H new ATOM 0 HG SER A 74 1.400 -39.147 22.381 1.00 0.00 H new ATOM 1106 N ASP A 75 3.295 -43.103 21.935 1.00 0.00 N ATOM 1107 CA ASP A 75 2.697 -44.366 22.452 1.00 0.00 C ATOM 1108 C ASP A 75 1.319 -44.071 23.049 1.00 0.00 C ATOM 1109 O ASP A 75 0.403 -44.862 22.940 1.00 0.00 O ATOM 1110 CB ASP A 75 3.606 -44.955 23.534 1.00 0.00 C ATOM 1111 CG ASP A 75 4.919 -45.417 22.899 1.00 0.00 C ATOM 1112 OD1 ASP A 75 4.982 -45.464 21.682 1.00 0.00 O ATOM 1113 OD2 ASP A 75 5.840 -45.714 23.642 1.00 0.00 O ATOM 0 H ASP A 75 4.217 -42.875 22.307 1.00 0.00 H new ATOM 0 HA ASP A 75 2.594 -45.080 21.635 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.804 -44.209 24.304 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.111 -45.794 24.023 1.00 0.00 H new ATOM 1118 N GLU A 76 1.165 -42.940 23.680 1.00 0.00 N ATOM 1119 CA GLU A 76 -0.153 -42.597 24.284 1.00 0.00 C ATOM 1120 C GLU A 76 -0.560 -43.688 25.275 1.00 0.00 C ATOM 1121 O GLU A 76 0.325 -44.347 25.797 1.00 0.00 O ATOM 1122 CB GLU A 76 -1.207 -42.491 23.180 1.00 0.00 C ATOM 1123 CG GLU A 76 -0.830 -41.360 22.221 1.00 0.00 C ATOM 1124 CD GLU A 76 -1.913 -41.219 21.149 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -2.779 -42.077 21.093 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -1.856 -40.256 20.402 1.00 0.00 O ATOM 1127 OXT GLU A 76 -1.749 -43.848 25.496 1.00 0.00 O ATOM 0 H GLU A 76 1.895 -42.238 23.804 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.076 -41.643 24.806 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.277 -43.434 22.638 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.188 -42.301 23.616 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.722 -40.424 22.770 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.133 -41.569 21.755 1.00 0.00 H new TER 1134 GLU A 76