USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 71:sc= -0.366! USER MOD Set 1.2: A 51 TYR OH : rot -62:sc= 0.853 USER MOD Set 2.1: A 22 TYR OH : rot 148:sc= -0.506 USER MOD Set 2.2: A 24 MET CE :methyl -144:sc= -12.6! (180deg=-16.5!) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0101) USER MOD Set 3.2: A 13 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 1 LEU N :NH3+ 166:sc= -2.03! (180deg=-2.23!) USER MOD Single : A 4 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.067) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.521) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= -0.0736 (180deg=-0.541) USER MOD Single : A 18 LYS NZ :NH3+ -106:sc= 0.147 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -6.96! C(o=-7!,f=-13!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 134:sc= -0.149 (180deg=-2.11!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -3.69! USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -0.258 (180deg=-1.42!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.7! C(o=-1.7!,f=-2!) USER MOD Single : A 56 THR OG1 : rot 57:sc= 1.28 USER MOD Single : A 60 ASN : amide:sc= -2.07 K(o=-2.1,f=0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.986 6.895 0.076 1.00 0.00 N ATOM 2 CA LEU A 1 12.025 6.263 1.025 1.00 0.00 C ATOM 3 C LEU A 1 11.787 4.810 0.611 1.00 0.00 C ATOM 4 O LEU A 1 11.243 4.536 -0.439 1.00 0.00 O ATOM 5 CB LEU A 1 10.700 7.029 0.995 1.00 0.00 C ATOM 6 CG LEU A 1 10.811 8.277 1.874 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.998 9.413 1.251 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.265 7.968 3.270 1.00 0.00 C ATOM 0 H1 LEU A 1 12.971 7.927 0.203 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.944 6.537 0.263 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.714 6.662 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 1 12.435 6.291 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.455 7.313 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.891 6.391 1.351 1.00 0.00 H new ATOM 0 HG LEU A 1 11.857 8.576 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.077 10.302 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.385 9.634 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.953 9.114 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.344 8.857 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.219 7.669 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.842 7.158 3.715 1.00 0.00 H new ATOM 22 N LYS A 2 12.193 3.874 1.425 1.00 0.00 N ATOM 23 CA LYS A 2 11.990 2.442 1.064 1.00 0.00 C ATOM 24 C LYS A 2 10.771 1.889 1.807 1.00 0.00 C ATOM 25 O LYS A 2 10.652 2.021 3.009 1.00 0.00 O ATOM 26 CB LYS A 2 13.234 1.637 1.450 1.00 0.00 C ATOM 27 CG LYS A 2 14.242 1.671 0.298 1.00 0.00 C ATOM 28 CD LYS A 2 15.461 0.821 0.658 1.00 0.00 C ATOM 29 CE LYS A 2 16.576 1.726 1.185 1.00 0.00 C ATOM 30 NZ LYS A 2 17.268 2.380 0.038 1.00 0.00 N ATOM 0 H LYS A 2 12.654 4.037 2.320 1.00 0.00 H new ATOM 0 HA LYS A 2 11.823 2.361 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.683 2.052 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.958 0.607 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.780 1.294 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.548 2.698 0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.192 0.081 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.807 0.272 -0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.161 2.482 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.288 1.142 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.099 2.901 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.573 1.655 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.616 3.041 -0.430 1.00 0.00 H new ATOM 44 N CYS A 3 9.868 1.266 1.098 1.00 0.00 N ATOM 45 CA CYS A 3 8.658 0.697 1.756 1.00 0.00 C ATOM 46 C CYS A 3 8.638 -0.820 1.503 1.00 0.00 C ATOM 47 O CYS A 3 9.489 -1.346 0.817 1.00 0.00 O ATOM 48 CB CYS A 3 7.405 1.417 1.196 1.00 0.00 C ATOM 49 SG CYS A 3 6.213 0.265 0.449 1.00 0.00 S ATOM 0 H CYS A 3 9.917 1.127 0.089 1.00 0.00 H new ATOM 0 HA CYS A 3 8.669 0.853 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.917 1.968 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 3 7.714 2.149 0.450 1.00 0.00 H new ATOM 54 N ASN A 4 7.691 -1.531 2.054 1.00 0.00 N ATOM 55 CA ASN A 4 7.659 -3.007 1.832 1.00 0.00 C ATOM 56 C ASN A 4 6.462 -3.386 0.952 1.00 0.00 C ATOM 57 O ASN A 4 5.327 -3.097 1.270 1.00 0.00 O ATOM 58 CB ASN A 4 7.548 -3.728 3.178 1.00 0.00 C ATOM 59 CG ASN A 4 8.942 -4.153 3.644 1.00 0.00 C ATOM 60 OD1 ASN A 4 9.709 -3.342 4.124 1.00 0.00 O ATOM 61 ND2 ASN A 4 9.307 -5.401 3.522 1.00 0.00 N ATOM 0 H ASN A 4 6.945 -1.159 2.642 1.00 0.00 H new ATOM 0 HA ASN A 4 8.579 -3.306 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.090 -3.072 3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.902 -4.601 3.083 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.235 -5.693 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.665 -6.083 3.119 1.00 0.00 H new ATOM 68 N LYS A 5 6.713 -4.043 -0.150 1.00 0.00 N ATOM 69 CA LYS A 5 5.602 -4.458 -1.051 1.00 0.00 C ATOM 70 C LYS A 5 5.285 -5.940 -0.800 1.00 0.00 C ATOM 71 O LYS A 5 5.664 -6.494 0.212 1.00 0.00 O ATOM 72 CB LYS A 5 6.025 -4.251 -2.508 1.00 0.00 C ATOM 73 CG LYS A 5 5.682 -2.825 -2.945 1.00 0.00 C ATOM 74 CD LYS A 5 6.945 -2.135 -3.465 1.00 0.00 C ATOM 75 CE LYS A 5 6.598 -1.293 -4.694 1.00 0.00 C ATOM 76 NZ LYS A 5 6.564 0.147 -4.315 1.00 0.00 N ATOM 0 H LYS A 5 7.646 -4.311 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 5 4.714 -3.858 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.095 -4.427 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.518 -4.971 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.919 -2.845 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.268 -2.266 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.373 -1.503 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.699 -2.879 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.335 -1.456 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.632 -1.597 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.002 0.676 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.133 0.248 -3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.533 0.524 -4.295 1.00 0.00 H new ATOM 90 N LEU A 6 4.591 -6.589 -1.699 1.00 0.00 N ATOM 91 CA LEU A 6 4.262 -8.027 -1.477 1.00 0.00 C ATOM 92 C LEU A 6 4.597 -8.849 -2.724 1.00 0.00 C ATOM 93 O LEU A 6 5.044 -9.975 -2.633 1.00 0.00 O ATOM 94 CB LEU A 6 2.770 -8.165 -1.171 1.00 0.00 C ATOM 95 CG LEU A 6 2.540 -9.406 -0.307 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.506 -9.093 0.776 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.027 -10.549 -1.186 1.00 0.00 C ATOM 0 H LEU A 6 4.241 -6.189 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 6 4.851 -8.397 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.410 -7.276 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.203 -8.244 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 6 3.479 -9.699 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.343 -9.978 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.870 -8.278 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.567 -8.799 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.862 -11.434 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.089 -10.254 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.764 -10.774 -1.957 1.00 0.00 H new ATOM 109 N VAL A 7 4.369 -8.307 -3.886 1.00 0.00 N ATOM 110 CA VAL A 7 4.659 -9.073 -5.132 1.00 0.00 C ATOM 111 C VAL A 7 6.127 -8.905 -5.559 1.00 0.00 C ATOM 112 O VAL A 7 6.762 -9.872 -5.930 1.00 0.00 O ATOM 113 CB VAL A 7 3.734 -8.596 -6.255 1.00 0.00 C ATOM 114 CG1 VAL A 7 4.112 -9.296 -7.561 1.00 0.00 C ATOM 115 CG2 VAL A 7 2.287 -8.938 -5.896 1.00 0.00 C ATOM 0 H VAL A 7 3.995 -7.369 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 7 4.483 -10.130 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 7 3.837 -7.518 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.453 -8.956 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.145 -9.058 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.008 -10.374 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.625 -8.600 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.187 -10.017 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.016 -8.441 -4.964 1.00 0.00 H new ATOM 125 N PRO A 8 6.632 -7.694 -5.512 1.00 0.00 N ATOM 126 CA PRO A 8 8.023 -7.415 -5.909 1.00 0.00 C ATOM 127 C PRO A 8 8.990 -7.803 -4.786 1.00 0.00 C ATOM 128 O PRO A 8 9.163 -7.083 -3.823 1.00 0.00 O ATOM 129 CB PRO A 8 8.036 -5.904 -6.146 1.00 0.00 C ATOM 130 CG PRO A 8 6.850 -5.327 -5.339 1.00 0.00 C ATOM 131 CD PRO A 8 5.886 -6.499 -5.066 1.00 0.00 C ATOM 0 HA PRO A 8 8.338 -7.979 -6.787 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.979 -5.467 -5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.932 -5.676 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.196 -4.886 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.349 -4.537 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.626 -6.563 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.953 -6.384 -5.617 1.00 0.00 H new ATOM 139 N LEU A 9 9.624 -8.935 -4.909 1.00 0.00 N ATOM 140 CA LEU A 9 10.586 -9.377 -3.861 1.00 0.00 C ATOM 141 C LEU A 9 9.982 -9.162 -2.470 1.00 0.00 C ATOM 142 O LEU A 9 9.239 -9.986 -1.975 1.00 0.00 O ATOM 143 CB LEU A 9 11.883 -8.575 -3.989 1.00 0.00 C ATOM 144 CG LEU A 9 12.843 -9.312 -4.924 1.00 0.00 C ATOM 145 CD1 LEU A 9 13.132 -10.706 -4.364 1.00 0.00 C ATOM 146 CD2 LEU A 9 12.203 -9.443 -6.308 1.00 0.00 C ATOM 0 H LEU A 9 9.517 -9.577 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 9 10.799 -10.438 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.671 -7.579 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.341 -8.444 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 9 13.775 -8.752 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.816 -11.231 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.585 -10.615 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.201 -11.267 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.886 -9.968 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.272 -10.004 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.995 -8.451 -6.708 1.00 0.00 H new ATOM 158 N PHE A 10 10.300 -8.070 -1.827 1.00 0.00 N ATOM 159 CA PHE A 10 9.744 -7.827 -0.465 1.00 0.00 C ATOM 160 C PHE A 10 9.628 -6.322 -0.203 1.00 0.00 C ATOM 161 O PHE A 10 8.707 -5.869 0.448 1.00 0.00 O ATOM 162 CB PHE A 10 10.671 -8.465 0.572 1.00 0.00 C ATOM 163 CG PHE A 10 10.779 -9.945 0.293 1.00 0.00 C ATOM 164 CD1 PHE A 10 9.735 -10.803 0.658 1.00 0.00 C ATOM 165 CD2 PHE A 10 11.919 -10.458 -0.337 1.00 0.00 C ATOM 166 CE1 PHE A 10 9.832 -12.175 0.395 1.00 0.00 C ATOM 167 CE2 PHE A 10 12.015 -11.830 -0.601 1.00 0.00 C ATOM 168 CZ PHE A 10 10.972 -12.688 -0.235 1.00 0.00 C ATOM 0 H PHE A 10 10.917 -7.340 -2.184 1.00 0.00 H new ATOM 0 HA PHE A 10 8.751 -8.270 -0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.657 -8.002 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.282 -8.299 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.855 -10.407 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.724 -9.796 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.027 -12.837 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.894 -12.226 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.046 -13.746 -0.439 1.00 0.00 H new ATOM 178 N TYR A 11 10.547 -5.541 -0.704 1.00 0.00 N ATOM 179 CA TYR A 11 10.477 -4.069 -0.482 1.00 0.00 C ATOM 180 C TYR A 11 10.941 -3.346 -1.749 1.00 0.00 C ATOM 181 O TYR A 11 11.448 -3.954 -2.670 1.00 0.00 O ATOM 182 CB TYR A 11 11.377 -3.675 0.694 1.00 0.00 C ATOM 183 CG TYR A 11 12.555 -4.616 0.776 1.00 0.00 C ATOM 184 CD1 TYR A 11 13.323 -4.877 -0.365 1.00 0.00 C ATOM 185 CD2 TYR A 11 12.883 -5.223 1.994 1.00 0.00 C ATOM 186 CE1 TYR A 11 14.417 -5.747 -0.289 1.00 0.00 C ATOM 187 CE2 TYR A 11 13.978 -6.093 2.070 1.00 0.00 C ATOM 188 CZ TYR A 11 14.745 -6.354 0.929 1.00 0.00 C ATOM 189 OH TYR A 11 15.824 -7.211 1.003 1.00 0.00 O ATOM 0 H TYR A 11 11.343 -5.859 -1.257 1.00 0.00 H new ATOM 0 HA TYR A 11 9.450 -3.786 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.727 -2.650 0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.810 -3.706 1.624 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.071 -4.407 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.292 -5.021 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.008 -5.950 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.230 -6.562 3.009 1.00 0.00 H new ATOM 0 HH TYR A 11 15.914 -7.545 1.920 1.00 0.00 H new ATOM 199 N LYS A 12 10.770 -2.054 -1.805 1.00 0.00 N ATOM 200 CA LYS A 12 11.200 -1.298 -3.015 1.00 0.00 C ATOM 201 C LYS A 12 11.513 0.148 -2.628 1.00 0.00 C ATOM 202 O LYS A 12 11.059 0.643 -1.613 1.00 0.00 O ATOM 203 CB LYS A 12 10.074 -1.310 -4.051 1.00 0.00 C ATOM 204 CG LYS A 12 10.645 -1.666 -5.426 1.00 0.00 C ATOM 205 CD LYS A 12 9.741 -1.096 -6.522 1.00 0.00 C ATOM 206 CE LYS A 12 9.082 -2.244 -7.289 1.00 0.00 C ATOM 207 NZ LYS A 12 10.130 -3.038 -7.991 1.00 0.00 N ATOM 0 H LYS A 12 10.351 -1.489 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 12 12.090 -1.765 -3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.311 -2.033 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.590 -0.334 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.653 -1.264 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.721 -2.748 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.978 -0.454 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.324 -0.477 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.526 -2.882 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.365 -1.850 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.740 -3.422 -8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.942 -2.426 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.440 -3.821 -7.380 1.00 0.00 H new ATOM 221 N THR A 13 12.281 0.831 -3.431 1.00 0.00 N ATOM 222 CA THR A 13 12.616 2.245 -3.112 1.00 0.00 C ATOM 223 C THR A 13 11.757 3.167 -3.985 1.00 0.00 C ATOM 224 O THR A 13 11.527 2.900 -5.148 1.00 0.00 O ATOM 225 CB THR A 13 14.122 2.483 -3.359 1.00 0.00 C ATOM 226 OG1 THR A 13 14.674 3.170 -2.245 1.00 0.00 O ATOM 227 CG2 THR A 13 14.355 3.313 -4.631 1.00 0.00 C ATOM 0 H THR A 13 12.690 0.471 -4.293 1.00 0.00 H new ATOM 0 HA THR A 13 12.406 2.461 -2.065 1.00 0.00 H new ATOM 0 HB THR A 13 14.606 1.515 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.630 3.322 -2.396 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.425 3.463 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.942 2.785 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.864 4.281 -4.529 1.00 0.00 H new ATOM 235 N CYS A 14 11.283 4.247 -3.436 1.00 0.00 N ATOM 236 CA CYS A 14 10.446 5.178 -4.237 1.00 0.00 C ATOM 237 C CYS A 14 10.500 6.577 -3.619 1.00 0.00 C ATOM 238 O CYS A 14 9.479 7.139 -3.275 1.00 0.00 O ATOM 239 CB CYS A 14 8.999 4.680 -4.246 1.00 0.00 C ATOM 240 SG CYS A 14 8.389 4.579 -2.544 1.00 0.00 S ATOM 0 H CYS A 14 11.439 4.526 -2.467 1.00 0.00 H new ATOM 0 HA CYS A 14 10.824 5.219 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.373 5.356 -4.829 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.942 3.702 -4.723 1.00 0.00 H new ATOM 245 N PRO A 15 11.694 7.104 -3.507 1.00 0.00 N ATOM 246 CA PRO A 15 11.912 8.446 -2.943 1.00 0.00 C ATOM 247 C PRO A 15 11.532 9.503 -3.977 1.00 0.00 C ATOM 248 O PRO A 15 11.077 10.580 -3.648 1.00 0.00 O ATOM 249 CB PRO A 15 13.414 8.476 -2.650 1.00 0.00 C ATOM 250 CG PRO A 15 14.055 7.405 -3.563 1.00 0.00 C ATOM 251 CD PRO A 15 12.933 6.419 -3.935 1.00 0.00 C ATOM 0 HA PRO A 15 11.315 8.650 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.831 9.462 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 13.610 8.260 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.482 7.862 -4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 15 14.867 6.892 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.924 6.211 -5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.057 5.464 -3.425 1.00 0.00 H new ATOM 259 N ALA A 16 11.708 9.193 -5.230 1.00 0.00 N ATOM 260 CA ALA A 16 11.352 10.164 -6.298 1.00 0.00 C ATOM 261 C ALA A 16 10.070 9.697 -6.986 1.00 0.00 C ATOM 262 O ALA A 16 9.242 10.491 -7.386 1.00 0.00 O ATOM 263 CB ALA A 16 12.485 10.239 -7.322 1.00 0.00 C ATOM 0 H ALA A 16 12.085 8.305 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 16 11.198 11.151 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.222 10.951 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.401 10.564 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.641 9.255 -7.765 1.00 0.00 H new ATOM 269 N GLY A 17 9.896 8.410 -7.122 1.00 0.00 N ATOM 270 CA GLY A 17 8.663 7.891 -7.779 1.00 0.00 C ATOM 271 C GLY A 17 7.437 8.515 -7.113 1.00 0.00 C ATOM 272 O GLY A 17 6.680 9.236 -7.734 1.00 0.00 O ATOM 0 H GLY A 17 10.554 7.697 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.675 8.130 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.623 6.805 -7.697 1.00 0.00 H new ATOM 276 N LYS A 18 7.238 8.249 -5.852 1.00 0.00 N ATOM 277 CA LYS A 18 6.066 8.831 -5.142 1.00 0.00 C ATOM 278 C LYS A 18 6.544 9.502 -3.852 1.00 0.00 C ATOM 279 O LYS A 18 7.673 9.939 -3.754 1.00 0.00 O ATOM 280 CB LYS A 18 5.072 7.720 -4.801 1.00 0.00 C ATOM 281 CG LYS A 18 4.749 6.919 -6.064 1.00 0.00 C ATOM 282 CD LYS A 18 3.914 7.777 -7.017 1.00 0.00 C ATOM 283 CE LYS A 18 3.631 6.989 -8.297 1.00 0.00 C ATOM 284 NZ LYS A 18 4.627 7.364 -9.340 1.00 0.00 N ATOM 0 H LYS A 18 7.838 7.653 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 18 5.578 9.568 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.491 7.064 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.160 8.148 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.671 6.606 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.203 6.012 -5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.977 8.064 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.446 8.698 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.683 5.919 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.621 7.199 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.172 7.968 -10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.413 7.882 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.992 6.504 -9.797 1.00 0.00 H new ATOM 298 N ASN A 19 5.699 9.586 -2.860 1.00 0.00 N ATOM 299 CA ASN A 19 6.124 10.230 -1.583 1.00 0.00 C ATOM 300 C ASN A 19 5.820 9.306 -0.399 1.00 0.00 C ATOM 301 O ASN A 19 6.413 9.430 0.654 1.00 0.00 O ATOM 302 CB ASN A 19 5.399 11.570 -1.376 1.00 0.00 C ATOM 303 CG ASN A 19 4.495 11.891 -2.571 1.00 0.00 C ATOM 304 OD1 ASN A 19 3.286 11.861 -2.460 1.00 0.00 O ATOM 305 ND2 ASN A 19 5.037 12.205 -3.716 1.00 0.00 N ATOM 0 H ASN A 19 4.740 9.240 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 19 7.197 10.413 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.803 11.529 -0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.130 12.367 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.445 12.425 -4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.052 12.230 -3.810 1.00 0.00 H new ATOM 312 N LEU A 20 4.908 8.378 -0.546 1.00 0.00 N ATOM 313 CA LEU A 20 4.606 7.472 0.605 1.00 0.00 C ATOM 314 C LEU A 20 4.354 6.047 0.106 1.00 0.00 C ATOM 315 O LEU A 20 4.431 5.763 -1.071 1.00 0.00 O ATOM 316 CB LEU A 20 3.362 7.959 1.370 1.00 0.00 C ATOM 317 CG LEU A 20 2.623 9.046 0.581 1.00 0.00 C ATOM 318 CD1 LEU A 20 1.116 8.882 0.784 1.00 0.00 C ATOM 319 CD2 LEU A 20 3.056 10.425 1.089 1.00 0.00 C ATOM 0 H LEU A 20 4.369 8.210 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 20 5.467 7.482 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.692 7.119 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.659 8.349 2.343 1.00 0.00 H new ATOM 0 HG LEU A 20 2.862 8.955 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.587 9.654 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.806 7.899 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.879 8.976 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.532 11.200 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.814 10.515 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.131 10.542 0.951 1.00 0.00 H new ATOM 331 N CYS A 21 4.039 5.155 1.007 1.00 0.00 N ATOM 332 CA CYS A 21 3.757 3.747 0.617 1.00 0.00 C ATOM 333 C CYS A 21 2.357 3.396 1.115 1.00 0.00 C ATOM 334 O CYS A 21 2.024 3.629 2.259 1.00 0.00 O ATOM 335 CB CYS A 21 4.793 2.815 1.253 1.00 0.00 C ATOM 336 SG CYS A 21 4.410 1.094 0.839 1.00 0.00 S ATOM 0 H CYS A 21 3.965 5.346 2.006 1.00 0.00 H new ATOM 0 HA CYS A 21 3.812 3.631 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.791 3.070 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.797 2.946 2.335 1.00 0.00 H new ATOM 341 N TYR A 22 1.519 2.868 0.269 1.00 0.00 N ATOM 342 CA TYR A 22 0.139 2.555 0.725 1.00 0.00 C ATOM 343 C TYR A 22 -0.288 1.151 0.295 1.00 0.00 C ATOM 344 O TYR A 22 0.014 0.694 -0.790 1.00 0.00 O ATOM 345 CB TYR A 22 -0.828 3.596 0.142 1.00 0.00 C ATOM 346 CG TYR A 22 -1.194 3.239 -1.284 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.207 3.189 -2.276 1.00 0.00 C ATOM 348 CD2 TYR A 22 -2.526 2.958 -1.610 1.00 0.00 C ATOM 349 CE1 TYR A 22 -0.553 2.858 -3.592 1.00 0.00 C ATOM 350 CE2 TYR A 22 -2.871 2.629 -2.927 1.00 0.00 C ATOM 351 CZ TYR A 22 -1.884 2.577 -3.917 1.00 0.00 C ATOM 352 OH TYR A 22 -2.223 2.252 -5.215 1.00 0.00 O ATOM 0 H TYR A 22 1.726 2.643 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 22 0.117 2.589 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.729 3.647 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.368 4.584 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.821 3.406 -2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.288 2.995 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.209 2.820 -4.357 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.899 2.415 -3.178 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.975 1.624 -5.209 1.00 0.00 H new ATOM 362 N LYS A 23 -1.018 0.482 1.145 1.00 0.00 N ATOM 363 CA LYS A 23 -1.512 -0.880 0.815 1.00 0.00 C ATOM 364 C LYS A 23 -2.966 -0.757 0.351 1.00 0.00 C ATOM 365 O LYS A 23 -3.647 0.200 0.676 1.00 0.00 O ATOM 366 CB LYS A 23 -1.431 -1.765 2.062 1.00 0.00 C ATOM 367 CG LYS A 23 -2.118 -3.104 1.793 1.00 0.00 C ATOM 368 CD LYS A 23 -2.093 -3.952 3.067 1.00 0.00 C ATOM 369 CE LYS A 23 -3.041 -5.142 2.911 1.00 0.00 C ATOM 370 NZ LYS A 23 -3.511 -5.584 4.255 1.00 0.00 N ATOM 0 H LYS A 23 -1.295 0.827 2.064 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.907 -1.330 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.389 -1.929 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.907 -1.265 2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.147 -2.940 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.612 -3.629 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.080 -4.304 3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.390 -3.348 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.892 -4.863 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.532 -5.962 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.156 -6.393 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.694 -5.866 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.012 -4.801 4.722 1.00 0.00 H new ATOM 384 N MET A 24 -3.449 -1.701 -0.411 1.00 0.00 N ATOM 385 CA MET A 24 -4.853 -1.612 -0.901 1.00 0.00 C ATOM 386 C MET A 24 -5.526 -2.967 -0.734 1.00 0.00 C ATOM 387 O MET A 24 -5.258 -3.891 -1.474 1.00 0.00 O ATOM 388 CB MET A 24 -4.846 -1.233 -2.382 1.00 0.00 C ATOM 389 CG MET A 24 -3.806 -0.138 -2.625 1.00 0.00 C ATOM 390 SD MET A 24 -3.388 -0.084 -4.386 1.00 0.00 S ATOM 391 CE MET A 24 -1.592 -0.211 -4.197 1.00 0.00 C ATOM 0 H MET A 24 -2.933 -2.527 -0.714 1.00 0.00 H new ATOM 0 HA MET A 24 -5.396 -0.858 -0.331 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.617 -2.108 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.834 -0.884 -2.683 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.196 0.827 -2.303 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.911 -0.333 -2.034 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.102 0.398 -4.957 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.304 0.143 -3.207 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.287 -1.251 -4.313 1.00 0.00 H new ATOM 401 N PHE A 25 -6.391 -3.098 0.234 1.00 0.00 N ATOM 402 CA PHE A 25 -7.066 -4.407 0.447 1.00 0.00 C ATOM 403 C PHE A 25 -8.578 -4.211 0.550 1.00 0.00 C ATOM 404 O PHE A 25 -9.060 -3.147 0.886 1.00 0.00 O ATOM 405 CB PHE A 25 -6.557 -5.026 1.749 1.00 0.00 C ATOM 406 CG PHE A 25 -6.643 -3.999 2.854 1.00 0.00 C ATOM 407 CD1 PHE A 25 -5.613 -3.066 3.026 1.00 0.00 C ATOM 408 CD2 PHE A 25 -7.754 -3.978 3.707 1.00 0.00 C ATOM 409 CE1 PHE A 25 -5.695 -2.112 4.047 1.00 0.00 C ATOM 410 CE2 PHE A 25 -7.835 -3.024 4.728 1.00 0.00 C ATOM 411 CZ PHE A 25 -6.805 -2.092 4.899 1.00 0.00 C ATOM 0 H PHE A 25 -6.658 -2.358 0.883 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.846 -5.062 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.151 -5.904 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.527 -5.362 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.755 -3.083 2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.548 -4.698 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.901 -1.391 4.177 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.693 -3.007 5.384 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.867 -1.357 5.688 1.00 0.00 H new ATOM 421 N MET A 26 -9.325 -5.243 0.280 1.00 0.00 N ATOM 422 CA MET A 26 -10.807 -5.144 0.379 1.00 0.00 C ATOM 423 C MET A 26 -11.258 -5.896 1.624 1.00 0.00 C ATOM 424 O MET A 26 -10.521 -6.682 2.191 1.00 0.00 O ATOM 425 CB MET A 26 -11.481 -5.760 -0.860 1.00 0.00 C ATOM 426 CG MET A 26 -10.434 -6.326 -1.828 1.00 0.00 C ATOM 427 SD MET A 26 -11.272 -7.188 -3.182 1.00 0.00 S ATOM 428 CE MET A 26 -11.626 -8.719 -2.286 1.00 0.00 C ATOM 0 H MET A 26 -8.971 -6.156 -0.007 1.00 0.00 H new ATOM 0 HA MET A 26 -11.093 -4.094 0.438 1.00 0.00 H new ATOM 0 HB2 MET A 26 -12.163 -6.552 -0.552 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.080 -5.003 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.815 -5.521 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.769 -7.011 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.660 -9.015 -2.465 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.958 -9.507 -2.634 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.474 -8.559 -1.219 1.00 0.00 H new ATOM 438 N VAL A 27 -12.464 -5.670 2.049 1.00 0.00 N ATOM 439 CA VAL A 27 -12.960 -6.380 3.257 1.00 0.00 C ATOM 440 C VAL A 27 -13.767 -7.594 2.806 1.00 0.00 C ATOM 441 O VAL A 27 -13.300 -8.711 2.894 1.00 0.00 O ATOM 442 CB VAL A 27 -13.821 -5.436 4.127 1.00 0.00 C ATOM 443 CG1 VAL A 27 -14.621 -4.463 3.252 1.00 0.00 C ATOM 444 CG2 VAL A 27 -14.790 -6.252 4.995 1.00 0.00 C ATOM 0 H VAL A 27 -13.127 -5.027 1.616 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.118 -6.708 3.867 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.150 -4.864 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.219 -3.809 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.935 -3.861 2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.279 -5.026 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.391 -5.576 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.445 -6.842 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.223 -6.918 5.645 1.00 0.00 H new ATOM 454 N ALA A 28 -14.959 -7.386 2.316 1.00 0.00 N ATOM 455 CA ALA A 28 -15.795 -8.532 1.850 1.00 0.00 C ATOM 456 C ALA A 28 -15.585 -9.717 2.787 1.00 0.00 C ATOM 457 O ALA A 28 -14.706 -10.522 2.576 1.00 0.00 O ATOM 458 CB ALA A 28 -15.376 -8.920 0.434 1.00 0.00 C ATOM 0 H ALA A 28 -15.393 -6.468 2.218 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.847 -8.247 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.985 -9.757 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.518 -8.070 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.326 -9.211 0.432 1.00 0.00 H new ATOM 464 N THR A 29 -16.364 -9.800 3.829 1.00 0.00 N ATOM 465 CA THR A 29 -16.213 -10.909 4.821 1.00 0.00 C ATOM 466 C THR A 29 -14.711 -11.266 4.986 1.00 0.00 C ATOM 467 O THR A 29 -14.066 -10.651 5.812 1.00 0.00 O ATOM 468 CB THR A 29 -17.085 -12.103 4.416 1.00 0.00 C ATOM 469 OG1 THR A 29 -17.191 -12.165 3.000 1.00 0.00 O ATOM 470 CG2 THR A 29 -18.481 -11.929 5.013 1.00 0.00 C ATOM 0 H THR A 29 -17.111 -9.138 4.041 1.00 0.00 H new ATOM 0 HA THR A 29 -16.568 -10.590 5.801 1.00 0.00 H new ATOM 0 HB THR A 29 -16.631 -13.022 4.786 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.748 -12.931 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.106 -12.775 4.729 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.409 -11.880 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.925 -11.007 4.637 1.00 0.00 H new ATOM 478 N PRO A 30 -14.144 -12.198 4.218 1.00 0.00 N ATOM 479 CA PRO A 30 -12.704 -12.502 4.359 1.00 0.00 C ATOM 480 C PRO A 30 -11.865 -11.391 3.716 1.00 0.00 C ATOM 481 O PRO A 30 -11.888 -11.199 2.517 1.00 0.00 O ATOM 482 CB PRO A 30 -12.523 -13.821 3.607 1.00 0.00 C ATOM 483 CG PRO A 30 -13.700 -13.918 2.614 1.00 0.00 C ATOM 484 CD PRO A 30 -14.819 -13.022 3.175 1.00 0.00 C ATOM 0 HA PRO A 30 -12.385 -12.572 5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.568 -13.841 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.525 -14.665 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.398 -13.586 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.041 -14.949 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.256 -12.397 2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.629 -13.616 3.600 1.00 0.00 H new ATOM 492 N LYS A 31 -11.128 -10.656 4.505 1.00 0.00 N ATOM 493 CA LYS A 31 -10.292 -9.557 3.939 1.00 0.00 C ATOM 494 C LYS A 31 -9.396 -10.112 2.833 1.00 0.00 C ATOM 495 O LYS A 31 -9.207 -11.306 2.717 1.00 0.00 O ATOM 496 CB LYS A 31 -9.419 -8.959 5.042 1.00 0.00 C ATOM 497 CG LYS A 31 -10.304 -8.216 6.042 1.00 0.00 C ATOM 498 CD LYS A 31 -9.572 -6.971 6.543 1.00 0.00 C ATOM 499 CE LYS A 31 -8.859 -7.295 7.855 1.00 0.00 C ATOM 500 NZ LYS A 31 -9.865 -7.698 8.877 1.00 0.00 N ATOM 0 H LYS A 31 -11.068 -10.769 5.517 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.943 -8.785 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.862 -9.748 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.686 -8.277 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.245 -7.933 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.551 -8.868 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.851 -6.635 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.279 -6.155 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.138 -8.098 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.299 -6.426 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.581 -7.331 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.795 -7.310 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.922 -8.736 8.917 1.00 0.00 H new ATOM 514 N VAL A 32 -8.840 -9.256 2.016 1.00 0.00 N ATOM 515 CA VAL A 32 -7.959 -9.753 0.921 1.00 0.00 C ATOM 516 C VAL A 32 -6.995 -8.642 0.474 1.00 0.00 C ATOM 517 O VAL A 32 -7.414 -7.530 0.226 1.00 0.00 O ATOM 518 CB VAL A 32 -8.828 -10.171 -0.267 1.00 0.00 C ATOM 519 CG1 VAL A 32 -7.937 -10.696 -1.393 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.798 -11.271 0.172 1.00 0.00 C ATOM 0 H VAL A 32 -8.957 -8.244 2.059 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.381 -10.604 1.282 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.393 -9.310 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.557 -10.994 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.247 -9.912 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.371 -11.557 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.417 -11.569 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.234 -12.132 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.435 -10.896 0.973 1.00 0.00 H new ATOM 530 N PRO A 33 -5.731 -8.980 0.368 1.00 0.00 N ATOM 531 CA PRO A 33 -4.686 -8.031 -0.068 1.00 0.00 C ATOM 532 C PRO A 33 -4.744 -7.853 -1.586 1.00 0.00 C ATOM 533 O PRO A 33 -4.639 -8.801 -2.339 1.00 0.00 O ATOM 534 CB PRO A 33 -3.382 -8.711 0.355 1.00 0.00 C ATOM 535 CG PRO A 33 -3.699 -10.220 0.484 1.00 0.00 C ATOM 536 CD PRO A 33 -5.224 -10.334 0.669 1.00 0.00 C ATOM 0 HA PRO A 33 -4.796 -7.036 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.598 -8.540 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.023 -8.307 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.375 -10.762 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.172 -10.656 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.652 -11.077 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.480 -10.638 1.684 1.00 0.00 H new ATOM 544 N VAL A 34 -4.919 -6.646 -2.037 1.00 0.00 N ATOM 545 CA VAL A 34 -4.998 -6.400 -3.503 1.00 0.00 C ATOM 546 C VAL A 34 -3.650 -5.897 -4.025 1.00 0.00 C ATOM 547 O VAL A 34 -3.005 -6.549 -4.821 1.00 0.00 O ATOM 548 CB VAL A 34 -6.078 -5.353 -3.784 1.00 0.00 C ATOM 549 CG1 VAL A 34 -6.370 -5.313 -5.285 1.00 0.00 C ATOM 550 CG2 VAL A 34 -7.357 -5.724 -3.027 1.00 0.00 C ATOM 0 H VAL A 34 -5.011 -5.815 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.249 -7.332 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.730 -4.374 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.139 -4.567 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.461 -5.051 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.719 -6.292 -5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.127 -4.979 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.705 -6.703 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.151 -5.755 -1.957 1.00 0.00 H new ATOM 560 N LYS A 35 -3.220 -4.744 -3.594 1.00 0.00 N ATOM 561 CA LYS A 35 -1.913 -4.213 -4.087 1.00 0.00 C ATOM 562 C LYS A 35 -1.362 -3.164 -3.113 1.00 0.00 C ATOM 563 O LYS A 35 -2.087 -2.338 -2.597 1.00 0.00 O ATOM 564 CB LYS A 35 -2.114 -3.570 -5.462 1.00 0.00 C ATOM 565 CG LYS A 35 -0.879 -3.817 -6.332 1.00 0.00 C ATOM 566 CD LYS A 35 -1.281 -3.798 -7.809 1.00 0.00 C ATOM 567 CE LYS A 35 -2.167 -5.006 -8.116 1.00 0.00 C ATOM 568 NZ LYS A 35 -2.468 -5.040 -9.575 1.00 0.00 N ATOM 0 H LYS A 35 -3.711 -4.148 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.202 -5.036 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.999 -3.986 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.285 -2.499 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.127 -3.052 -6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.429 -4.777 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.814 -2.876 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.391 -3.818 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.664 -5.925 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.093 -4.947 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.071 -5.861 -9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.964 -4.167 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.580 -5.115 -10.111 1.00 0.00 H new ATOM 582 N ARG A 36 -0.076 -3.190 -2.870 1.00 0.00 N ATOM 583 CA ARG A 36 0.540 -2.196 -1.942 1.00 0.00 C ATOM 584 C ARG A 36 1.880 -1.735 -2.525 1.00 0.00 C ATOM 585 O ARG A 36 2.712 -2.539 -2.896 1.00 0.00 O ATOM 586 CB ARG A 36 0.771 -2.846 -0.574 1.00 0.00 C ATOM 587 CG ARG A 36 1.500 -4.177 -0.759 1.00 0.00 C ATOM 588 CD ARG A 36 2.414 -4.436 0.440 1.00 0.00 C ATOM 589 NE ARG A 36 1.645 -4.260 1.703 1.00 0.00 N ATOM 590 CZ ARG A 36 2.228 -4.465 2.851 1.00 0.00 C ATOM 591 NH1 ARG A 36 3.167 -3.656 3.259 1.00 0.00 N ATOM 592 NH2 ARG A 36 1.878 -5.481 3.590 1.00 0.00 N ATOM 0 H ARG A 36 0.576 -3.861 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.124 -1.340 -1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.358 -2.183 0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.182 -3.008 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.778 -4.987 -0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.086 -4.157 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.821 -5.446 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.261 -3.750 0.419 1.00 0.00 H new ATOM 0 HE ARG A 36 0.665 -3.980 1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.445 -2.864 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.623 -3.816 4.157 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.147 -6.117 3.270 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.335 -5.640 4.488 1.00 0.00 H new ATOM 606 N GLY A 37 2.098 -0.448 -2.616 1.00 0.00 N ATOM 607 CA GLY A 37 3.384 0.050 -3.184 1.00 0.00 C ATOM 608 C GLY A 37 3.608 1.502 -2.758 1.00 0.00 C ATOM 609 O GLY A 37 3.450 1.851 -1.606 1.00 0.00 O ATOM 0 H GLY A 37 1.443 0.276 -2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.210 -0.572 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.364 -0.021 -4.271 1.00 0.00 H new ATOM 613 N CYS A 38 3.975 2.354 -3.678 1.00 0.00 N ATOM 614 CA CYS A 38 4.209 3.782 -3.319 1.00 0.00 C ATOM 615 C CYS A 38 3.204 4.672 -4.054 1.00 0.00 C ATOM 616 O CYS A 38 2.925 4.478 -5.221 1.00 0.00 O ATOM 617 CB CYS A 38 5.628 4.179 -3.716 1.00 0.00 C ATOM 618 SG CYS A 38 6.815 3.318 -2.656 1.00 0.00 S ATOM 0 H CYS A 38 4.122 2.123 -4.660 1.00 0.00 H new ATOM 0 HA CYS A 38 4.082 3.909 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.808 3.927 -4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.755 5.257 -3.621 1.00 0.00 H new ATOM 623 N ILE A 39 2.651 5.645 -3.378 1.00 0.00 N ATOM 624 CA ILE A 39 1.665 6.542 -4.035 1.00 0.00 C ATOM 625 C ILE A 39 1.768 7.948 -3.438 1.00 0.00 C ATOM 626 O ILE A 39 2.326 8.149 -2.369 1.00 0.00 O ATOM 627 CB ILE A 39 0.258 5.989 -3.805 1.00 0.00 C ATOM 628 CG1 ILE A 39 -0.761 6.824 -4.579 1.00 0.00 C ATOM 629 CG2 ILE A 39 -0.077 6.043 -2.313 1.00 0.00 C ATOM 630 CD1 ILE A 39 -2.167 6.319 -4.262 1.00 0.00 C ATOM 0 H ILE A 39 2.842 5.854 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 39 1.871 6.593 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 39 0.221 4.957 -4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.669 7.876 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.569 6.754 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.080 5.649 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.643 5.443 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.033 7.076 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.899 6.911 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.253 5.273 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.354 6.412 -3.192 1.00 0.00 H new ATOM 642 N ASP A 40 1.229 8.920 -4.125 1.00 0.00 N ATOM 643 CA ASP A 40 1.272 10.318 -3.616 1.00 0.00 C ATOM 644 C ASP A 40 -0.156 10.771 -3.303 1.00 0.00 C ATOM 645 O ASP A 40 -0.502 11.926 -3.453 1.00 0.00 O ATOM 646 CB ASP A 40 1.889 11.242 -4.675 1.00 0.00 C ATOM 647 CG ASP A 40 1.697 10.641 -6.071 1.00 0.00 C ATOM 648 OD1 ASP A 40 0.559 10.546 -6.502 1.00 0.00 O ATOM 649 OD2 ASP A 40 2.690 10.287 -6.684 1.00 0.00 O ATOM 0 H ASP A 40 0.758 8.803 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 40 1.882 10.363 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.423 12.226 -4.627 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.951 11.382 -4.473 1.00 0.00 H new ATOM 654 N VAL A 41 -0.985 9.861 -2.868 1.00 0.00 N ATOM 655 CA VAL A 41 -2.397 10.216 -2.539 1.00 0.00 C ATOM 656 C VAL A 41 -2.858 9.370 -1.347 1.00 0.00 C ATOM 657 O VAL A 41 -2.197 8.430 -0.953 1.00 0.00 O ATOM 658 CB VAL A 41 -3.295 9.927 -3.746 1.00 0.00 C ATOM 659 CG1 VAL A 41 -4.480 10.895 -3.750 1.00 0.00 C ATOM 660 CG2 VAL A 41 -2.494 10.107 -5.038 1.00 0.00 C ATOM 0 H VAL A 41 -0.744 8.880 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.461 11.275 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.661 8.902 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.117 10.687 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.056 10.769 -2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.113 11.919 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.135 9.901 -5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.126 11.131 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.650 9.417 -5.042 1.00 0.00 H new ATOM 670 N CYS A 42 -3.984 9.692 -0.768 1.00 0.00 N ATOM 671 CA CYS A 42 -4.471 8.899 0.396 1.00 0.00 C ATOM 672 C CYS A 42 -5.991 9.045 0.533 1.00 0.00 C ATOM 673 O CYS A 42 -6.466 9.896 1.259 1.00 0.00 O ATOM 674 CB CYS A 42 -3.804 9.410 1.674 1.00 0.00 C ATOM 675 SG CYS A 42 -2.102 8.801 1.756 1.00 0.00 S ATOM 0 H CYS A 42 -4.585 10.467 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.222 7.850 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.812 10.500 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.363 9.075 2.547 1.00 0.00 H new ATOM 680 N PRO A 43 -6.708 8.198 -0.160 1.00 0.00 N ATOM 681 CA PRO A 43 -8.181 8.192 -0.128 1.00 0.00 C ATOM 682 C PRO A 43 -8.672 7.516 1.157 1.00 0.00 C ATOM 683 O PRO A 43 -7.959 7.445 2.138 1.00 0.00 O ATOM 684 CB PRO A 43 -8.564 7.375 -1.365 1.00 0.00 C ATOM 685 CG PRO A 43 -7.334 6.500 -1.705 1.00 0.00 C ATOM 686 CD PRO A 43 -6.117 7.169 -1.039 1.00 0.00 C ATOM 0 HA PRO A 43 -8.622 9.189 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.439 6.756 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.819 8.029 -2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.468 5.484 -1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.195 6.430 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.528 6.449 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.451 7.612 -1.779 1.00 0.00 H new ATOM 694 N LYS A 44 -9.878 7.018 1.166 1.00 0.00 N ATOM 695 CA LYS A 44 -10.387 6.354 2.398 1.00 0.00 C ATOM 696 C LYS A 44 -11.709 5.645 2.104 1.00 0.00 C ATOM 697 O LYS A 44 -12.677 6.254 1.694 1.00 0.00 O ATOM 698 CB LYS A 44 -10.608 7.407 3.485 1.00 0.00 C ATOM 699 CG LYS A 44 -11.607 8.451 2.984 1.00 0.00 C ATOM 700 CD LYS A 44 -11.052 9.855 3.235 1.00 0.00 C ATOM 701 CE LYS A 44 -11.180 10.690 1.960 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.648 12.062 2.206 1.00 0.00 N ATOM 0 H LYS A 44 -10.528 7.042 0.380 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.656 5.620 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.983 6.935 4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.663 7.885 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.795 8.308 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.562 8.330 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.595 10.332 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.007 9.795 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.631 10.216 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.224 10.744 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.735 12.629 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.190 12.513 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.647 12.002 2.481 1.00 0.00 H new ATOM 716 N SER A 45 -11.759 4.358 2.320 1.00 0.00 N ATOM 717 CA SER A 45 -13.019 3.606 2.064 1.00 0.00 C ATOM 718 C SER A 45 -13.441 3.781 0.604 1.00 0.00 C ATOM 719 O SER A 45 -12.968 4.658 -0.090 1.00 0.00 O ATOM 720 CB SER A 45 -14.121 4.138 2.980 1.00 0.00 C ATOM 721 OG SER A 45 -13.958 3.587 4.280 1.00 0.00 O ATOM 0 H SER A 45 -10.980 3.795 2.663 1.00 0.00 H new ATOM 0 HA SER A 45 -12.854 2.547 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.078 5.226 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.100 3.874 2.581 1.00 0.00 H new ATOM 0 HG SER A 45 -14.662 3.928 4.870 1.00 0.00 H new ATOM 727 N SER A 46 -14.333 2.951 0.138 1.00 0.00 N ATOM 728 CA SER A 46 -14.798 3.061 -1.273 1.00 0.00 C ATOM 729 C SER A 46 -15.881 2.010 -1.528 1.00 0.00 C ATOM 730 O SER A 46 -15.945 1.421 -2.586 1.00 0.00 O ATOM 731 CB SER A 46 -13.624 2.831 -2.224 1.00 0.00 C ATOM 732 OG SER A 46 -12.445 2.597 -1.468 1.00 0.00 O ATOM 0 H SER A 46 -14.762 2.198 0.676 1.00 0.00 H new ATOM 0 HA SER A 46 -15.206 4.057 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.828 1.979 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.489 3.699 -2.870 1.00 0.00 H new ATOM 0 HG SER A 46 -12.503 1.720 -1.035 1.00 0.00 H new ATOM 738 N LEU A 47 -16.727 1.783 -0.554 1.00 0.00 N ATOM 739 CA LEU A 47 -17.833 0.783 -0.691 1.00 0.00 C ATOM 740 C LEU A 47 -17.313 -0.648 -0.502 1.00 0.00 C ATOM 741 O LEU A 47 -17.993 -1.484 0.058 1.00 0.00 O ATOM 742 CB LEU A 47 -18.513 0.911 -2.060 1.00 0.00 C ATOM 743 CG LEU A 47 -19.087 2.321 -2.213 1.00 0.00 C ATOM 744 CD1 LEU A 47 -18.133 3.176 -3.048 1.00 0.00 C ATOM 745 CD2 LEU A 47 -20.446 2.241 -2.912 1.00 0.00 C ATOM 0 H LEU A 47 -16.697 2.258 0.348 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.564 0.992 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.795 0.711 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.308 0.171 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.208 2.773 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.544 4.180 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.165 3.232 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -18.010 2.727 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.858 3.244 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -20.323 1.789 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -21.127 1.633 -2.316 1.00 0.00 H new ATOM 757 N LEU A 48 -16.128 -0.951 -0.955 1.00 0.00 N ATOM 758 CA LEU A 48 -15.615 -2.341 -0.777 1.00 0.00 C ATOM 759 C LEU A 48 -14.130 -2.413 -1.136 1.00 0.00 C ATOM 760 O LEU A 48 -13.725 -3.207 -1.960 1.00 0.00 O ATOM 761 CB LEU A 48 -16.393 -3.291 -1.687 1.00 0.00 C ATOM 762 CG LEU A 48 -16.036 -4.736 -1.338 1.00 0.00 C ATOM 763 CD1 LEU A 48 -16.566 -5.071 0.058 1.00 0.00 C ATOM 764 CD2 LEU A 48 -16.669 -5.680 -2.362 1.00 0.00 C ATOM 0 H LEU A 48 -15.499 -0.307 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.745 -2.630 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.464 -3.131 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.155 -3.088 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.953 -4.855 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.311 -6.101 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.116 -4.400 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.649 -4.951 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.414 -6.710 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.752 -5.560 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.292 -5.443 -3.357 1.00 0.00 H new ATOM 776 N VAL A 49 -13.315 -1.603 -0.519 1.00 0.00 N ATOM 777 CA VAL A 49 -11.855 -1.637 -0.822 1.00 0.00 C ATOM 778 C VAL A 49 -11.188 -0.399 -0.224 1.00 0.00 C ATOM 779 O VAL A 49 -11.368 0.703 -0.698 1.00 0.00 O ATOM 780 CB VAL A 49 -11.646 -1.659 -2.338 1.00 0.00 C ATOM 781 CG1 VAL A 49 -12.555 -0.618 -2.994 1.00 0.00 C ATOM 782 CG2 VAL A 49 -10.184 -1.336 -2.661 1.00 0.00 C ATOM 0 H VAL A 49 -13.596 -0.918 0.183 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.411 -2.533 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.891 -2.649 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.406 -0.634 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.596 -0.850 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.312 0.372 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.038 -1.352 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.936 -0.347 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.536 -2.079 -2.196 1.00 0.00 H new ATOM 792 N LYS A 50 -10.423 -0.570 0.818 1.00 0.00 N ATOM 793 CA LYS A 50 -9.753 0.605 1.448 1.00 0.00 C ATOM 794 C LYS A 50 -8.241 0.517 1.230 1.00 0.00 C ATOM 795 O LYS A 50 -7.704 -0.526 0.914 1.00 0.00 O ATOM 796 CB LYS A 50 -10.042 0.632 2.955 1.00 0.00 C ATOM 797 CG LYS A 50 -11.292 -0.194 3.271 1.00 0.00 C ATOM 798 CD LYS A 50 -11.977 0.367 4.519 1.00 0.00 C ATOM 799 CE LYS A 50 -13.490 0.174 4.400 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.053 -0.182 5.732 1.00 0.00 N ATOM 0 H LYS A 50 -10.232 -1.469 1.260 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.139 1.515 0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.187 0.235 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.184 1.661 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.979 -0.170 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.020 -1.237 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.604 -0.138 5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.742 1.426 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.955 1.087 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.711 -0.612 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.081 -0.313 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.617 -1.064 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.854 0.582 6.409 1.00 0.00 H new ATOM 814 N TYR A 51 -7.553 1.611 1.409 1.00 0.00 N ATOM 815 CA TYR A 51 -6.074 1.610 1.228 1.00 0.00 C ATOM 816 C TYR A 51 -5.454 2.603 2.214 1.00 0.00 C ATOM 817 O TYR A 51 -5.909 3.721 2.354 1.00 0.00 O ATOM 818 CB TYR A 51 -5.699 2.015 -0.209 1.00 0.00 C ATOM 819 CG TYR A 51 -6.939 2.315 -1.022 1.00 0.00 C ATOM 820 CD1 TYR A 51 -7.822 3.321 -0.613 1.00 0.00 C ATOM 821 CD2 TYR A 51 -7.200 1.589 -2.190 1.00 0.00 C ATOM 822 CE1 TYR A 51 -8.966 3.600 -1.371 1.00 0.00 C ATOM 823 CE2 TYR A 51 -8.343 1.866 -2.947 1.00 0.00 C ATOM 824 CZ TYR A 51 -9.225 2.872 -2.539 1.00 0.00 C ATOM 825 OH TYR A 51 -10.350 3.147 -3.289 1.00 0.00 O ATOM 0 H TYR A 51 -7.954 2.510 1.674 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.695 0.605 1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.051 2.892 -0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.133 1.212 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.621 3.882 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.518 0.814 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.648 4.376 -1.055 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.545 1.303 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.151 2.972 -2.753 1.00 0.00 H new ATOM 835 N VAL A 52 -4.424 2.200 2.904 1.00 0.00 N ATOM 836 CA VAL A 52 -3.775 3.116 3.889 1.00 0.00 C ATOM 837 C VAL A 52 -2.381 3.489 3.381 1.00 0.00 C ATOM 838 O VAL A 52 -1.779 2.754 2.634 1.00 0.00 O ATOM 839 CB VAL A 52 -3.656 2.401 5.239 1.00 0.00 C ATOM 840 CG1 VAL A 52 -2.569 1.329 5.152 1.00 0.00 C ATOM 841 CG2 VAL A 52 -3.285 3.411 6.328 1.00 0.00 C ATOM 0 H VAL A 52 -4.001 1.275 2.830 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.374 4.019 4.008 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.611 1.937 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.483 0.819 6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.832 0.606 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.616 1.796 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.201 2.898 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.331 3.878 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.058 4.177 6.392 1.00 0.00 H new ATOM 851 N CYS A 53 -1.862 4.623 3.767 1.00 0.00 N ATOM 852 CA CYS A 53 -0.505 5.015 3.278 1.00 0.00 C ATOM 853 C CYS A 53 0.401 5.350 4.467 1.00 0.00 C ATOM 854 O CYS A 53 -0.044 5.456 5.593 1.00 0.00 O ATOM 855 CB CYS A 53 -0.592 6.245 2.354 1.00 0.00 C ATOM 856 SG CYS A 53 -2.299 6.848 2.229 1.00 0.00 S ATOM 0 H CYS A 53 -2.312 5.290 4.393 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.091 4.176 2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 53 0.050 7.038 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.221 5.986 1.362 1.00 0.00 H new ATOM 861 N CYS A 54 1.673 5.524 4.219 1.00 0.00 N ATOM 862 CA CYS A 54 2.620 5.859 5.321 1.00 0.00 C ATOM 863 C CYS A 54 3.737 6.747 4.768 1.00 0.00 C ATOM 864 O CYS A 54 4.283 6.488 3.714 1.00 0.00 O ATOM 865 CB CYS A 54 3.226 4.572 5.889 1.00 0.00 C ATOM 866 SG CYS A 54 3.819 4.873 7.573 1.00 0.00 S ATOM 0 H CYS A 54 2.098 5.448 3.295 1.00 0.00 H new ATOM 0 HA CYS A 54 2.087 6.385 6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.480 3.777 5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 54 4.048 4.235 5.258 1.00 0.00 H new ATOM 871 N ASN A 55 4.079 7.794 5.465 1.00 0.00 N ATOM 872 CA ASN A 55 5.158 8.695 4.971 1.00 0.00 C ATOM 873 C ASN A 55 6.187 8.914 6.080 1.00 0.00 C ATOM 874 O ASN A 55 6.140 9.889 6.802 1.00 0.00 O ATOM 875 CB ASN A 55 4.552 10.039 4.561 1.00 0.00 C ATOM 876 CG ASN A 55 5.596 10.865 3.807 1.00 0.00 C ATOM 877 OD1 ASN A 55 6.099 10.444 2.784 1.00 0.00 O ATOM 878 ND2 ASN A 55 5.947 12.032 4.274 1.00 0.00 N ATOM 0 H ASN A 55 3.659 8.065 6.354 1.00 0.00 H new ATOM 0 HA ASN A 55 5.646 8.240 4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.677 9.878 3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.213 10.581 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.643 12.590 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.525 12.386 5.133 1.00 0.00 H new ATOM 885 N THR A 56 7.116 8.010 6.222 1.00 0.00 N ATOM 886 CA THR A 56 8.146 8.164 7.286 1.00 0.00 C ATOM 887 C THR A 56 9.340 7.262 6.972 1.00 0.00 C ATOM 888 O THR A 56 10.314 7.688 6.384 1.00 0.00 O ATOM 889 CB THR A 56 7.541 7.766 8.634 1.00 0.00 C ATOM 890 OG1 THR A 56 6.274 7.160 8.418 1.00 0.00 O ATOM 891 CG2 THR A 56 7.371 9.009 9.510 1.00 0.00 C ATOM 0 H THR A 56 7.206 7.172 5.648 1.00 0.00 H new ATOM 0 HA THR A 56 8.479 9.201 7.328 1.00 0.00 H new ATOM 0 HB THR A 56 8.204 7.061 9.136 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.378 6.387 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.940 8.722 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.343 9.474 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.709 9.717 9.012 1.00 0.00 H new ATOM 899 N ASP A 57 9.270 6.016 7.357 1.00 0.00 N ATOM 900 CA ASP A 57 10.400 5.086 7.080 1.00 0.00 C ATOM 901 C ASP A 57 10.236 3.828 7.938 1.00 0.00 C ATOM 902 O ASP A 57 9.983 3.904 9.124 1.00 0.00 O ATOM 903 CB ASP A 57 11.725 5.773 7.424 1.00 0.00 C ATOM 904 CG ASP A 57 12.589 5.891 6.166 1.00 0.00 C ATOM 905 OD1 ASP A 57 12.080 5.620 5.091 1.00 0.00 O ATOM 906 OD2 ASP A 57 13.746 6.255 6.300 1.00 0.00 O ATOM 0 H ASP A 57 8.479 5.603 7.851 1.00 0.00 H new ATOM 0 HA ASP A 57 10.401 4.813 6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.535 6.762 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.254 5.202 8.187 1.00 0.00 H new ATOM 911 N ARG A 58 10.373 2.671 7.350 1.00 0.00 N ATOM 912 CA ARG A 58 10.218 1.413 8.135 1.00 0.00 C ATOM 913 C ARG A 58 8.851 1.414 8.823 1.00 0.00 C ATOM 914 O ARG A 58 8.626 0.702 9.780 1.00 0.00 O ATOM 915 CB ARG A 58 11.323 1.326 9.192 1.00 0.00 C ATOM 916 CG ARG A 58 12.005 -0.043 9.112 1.00 0.00 C ATOM 917 CD ARG A 58 13.512 0.146 8.929 1.00 0.00 C ATOM 918 NE ARG A 58 14.225 -0.357 10.137 1.00 0.00 N ATOM 919 CZ ARG A 58 14.803 0.485 10.950 1.00 0.00 C ATOM 920 NH1 ARG A 58 15.929 1.052 10.611 1.00 0.00 N ATOM 921 NH2 ARG A 58 14.256 0.758 12.104 1.00 0.00 N ATOM 0 H ARG A 58 10.585 2.542 6.361 1.00 0.00 H new ATOM 0 HA ARG A 58 10.292 0.555 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.055 2.118 9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.902 1.476 10.186 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.807 -0.613 10.020 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.596 -0.616 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.852 -0.390 8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.741 1.200 8.771 1.00 0.00 H new ATOM 0 HE ARG A 58 14.261 -1.358 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.357 0.837 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.380 1.710 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.377 0.313 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.707 1.416 12.739 1.00 0.00 H new ATOM 935 N CYS A 59 7.937 2.209 8.339 1.00 0.00 N ATOM 936 CA CYS A 59 6.585 2.257 8.962 1.00 0.00 C ATOM 937 C CYS A 59 5.582 1.520 8.071 1.00 0.00 C ATOM 938 O CYS A 59 4.434 1.345 8.427 1.00 0.00 O ATOM 939 CB CYS A 59 6.149 3.716 9.123 1.00 0.00 C ATOM 940 SG CYS A 59 5.789 4.427 7.496 1.00 0.00 S ATOM 0 H CYS A 59 8.068 2.828 7.539 1.00 0.00 H new ATOM 0 HA CYS A 59 6.620 1.777 9.940 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.266 3.774 9.760 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.935 4.289 9.615 1.00 0.00 H new ATOM 945 N ASN A 60 6.004 1.090 6.912 1.00 0.00 N ATOM 946 CA ASN A 60 5.068 0.369 6.003 1.00 0.00 C ATOM 947 C ASN A 60 5.788 -0.823 5.370 1.00 0.00 C ATOM 948 O ASN A 60 5.112 -1.662 4.797 1.00 0.00 O ATOM 949 CB ASN A 60 4.592 1.322 4.903 1.00 0.00 C ATOM 950 CG ASN A 60 3.191 0.910 4.442 1.00 0.00 C ATOM 951 OD1 ASN A 60 2.905 -0.263 4.309 1.00 0.00 O ATOM 952 ND2 ASN A 60 2.300 1.831 4.190 1.00 0.00 N ATOM 953 OXT ASN A 60 7.002 -0.877 5.471 1.00 0.00 O ATOM 0 H ASN A 60 6.953 1.206 6.557 1.00 0.00 H new ATOM 0 HA ASN A 60 4.209 0.013 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.577 2.346 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.285 1.299 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.365 1.565 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.539 2.816 4.301 1.00 0.00 H new