USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 102:sc= -1.09 USER MOD Set 1.2: A 50 THR OG1 : rot -55:sc= 1.35 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.08 K(o=2.3,f=-1.8!) USER MOD Set 2.2: A 33 TYR OH : rot -100:sc= 1.22 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-9.8!) USER MOD Set 4.1: A 1 ASP N :NH3+ -108:sc= -0.7 (180deg=-0.00709) USER MOD Set 4.2: A 4 MET CE :methyl -125:sc= -2.26 (180deg=-1.38!) USER MOD Single : A 2 SER OG : rot -139:sc= -1.94 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 16 TYR OH : rot 97:sc= 1.03 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.19 USER MOD Single : A 34 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.56) USER MOD Single : A 35 ASN : amide:sc= -6.82! C(o=-6.8!,f=-21!) USER MOD Single : A 38 MET CE :methyl -131:sc= -0.298 (180deg=-1.35!) USER MOD Single : A 41 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-8.8!) USER MOD Single : A 43 ASN : amide:sc= -5.32! C(o=-5.3!,f=-5.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.6!) 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+ 170:sc= 0 (180deg=-0.0436) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.458 -29.649 3.405 1.00 0.00 N ATOM 2 CA ASP A 1 0.863 -28.251 3.726 1.00 0.00 C ATOM 3 C ASP A 1 2.231 -27.960 3.109 1.00 0.00 C ATOM 4 O ASP A 1 2.849 -28.819 2.513 1.00 0.00 O ATOM 5 CB ASP A 1 0.946 -28.078 5.245 1.00 0.00 C ATOM 6 CG ASP A 1 -0.448 -28.236 5.854 1.00 0.00 C ATOM 7 OD1 ASP A 1 -1.409 -28.202 5.103 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.531 -28.389 7.062 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.310 -29.636 2.704 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.273 -30.166 3.017 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.128 -30.122 4.270 1.00 0.00 H new ATOM 0 HA ASP A 1 0.125 -27.560 3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.626 -28.817 5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 1 1.351 -27.096 5.488 1.00 0.00 H new ATOM 15 N SER A 2 2.709 -26.754 3.251 1.00 0.00 N ATOM 16 CA SER A 2 4.037 -26.406 2.675 1.00 0.00 C ATOM 17 C SER A 2 5.083 -27.405 3.171 1.00 0.00 C ATOM 18 O SER A 2 6.081 -27.648 2.523 1.00 0.00 O ATOM 19 CB SER A 2 4.431 -24.998 3.122 1.00 0.00 C ATOM 20 OG SER A 2 3.746 -24.039 2.330 1.00 0.00 O ATOM 0 H SER A 2 2.236 -25.995 3.741 1.00 0.00 H new ATOM 0 HA SER A 2 3.983 -26.443 1.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.186 -24.858 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.508 -24.863 3.025 1.00 0.00 H new ATOM 0 HG SER A 2 4.355 -23.305 2.106 1.00 0.00 H new ATOM 26 N GLU A 3 4.862 -27.986 4.318 1.00 0.00 N ATOM 27 CA GLU A 3 5.844 -28.969 4.852 1.00 0.00 C ATOM 28 C GLU A 3 6.109 -30.036 3.791 1.00 0.00 C ATOM 29 O GLU A 3 7.144 -30.669 3.776 1.00 0.00 O ATOM 30 CB GLU A 3 5.279 -29.624 6.112 1.00 0.00 C ATOM 31 CG GLU A 3 5.975 -29.041 7.344 1.00 0.00 C ATOM 32 CD GLU A 3 5.332 -29.608 8.611 1.00 0.00 C ATOM 33 OE1 GLU A 3 4.848 -30.726 8.556 1.00 0.00 O ATOM 34 OE2 GLU A 3 5.334 -28.914 9.614 1.00 0.00 O ATOM 0 H GLU A 3 4.045 -27.823 4.907 1.00 0.00 H new ATOM 0 HA GLU A 3 6.776 -28.461 5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.204 -29.453 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.429 -30.703 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.037 -29.284 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.896 -27.954 7.339 1.00 0.00 H new ATOM 41 N MET A 4 5.179 -30.235 2.896 1.00 0.00 N ATOM 42 CA MET A 4 5.376 -31.255 1.829 1.00 0.00 C ATOM 43 C MET A 4 6.441 -30.757 0.851 1.00 0.00 C ATOM 44 O MET A 4 7.161 -31.532 0.254 1.00 0.00 O ATOM 45 CB MET A 4 4.061 -31.476 1.079 1.00 0.00 C ATOM 46 CG MET A 4 3.042 -32.122 2.019 1.00 0.00 C ATOM 47 SD MET A 4 1.555 -32.564 1.086 1.00 0.00 S ATOM 48 CE MET A 4 1.098 -30.887 0.582 1.00 0.00 C ATOM 0 H MET A 4 4.291 -29.734 2.859 1.00 0.00 H new ATOM 0 HA MET A 4 5.697 -32.195 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.678 -30.526 0.707 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.227 -32.114 0.211 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.471 -33.011 2.482 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.787 -31.434 2.825 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.074 -30.680 0.893 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.772 -30.170 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.172 -30.800 -0.502 1.00 0.00 H new ATOM 58 N CYS A 5 6.547 -29.467 0.687 1.00 0.00 N ATOM 59 CA CYS A 5 7.566 -28.918 -0.249 1.00 0.00 C ATOM 60 C CYS A 5 8.930 -28.898 0.444 1.00 0.00 C ATOM 61 O CYS A 5 9.962 -28.853 -0.195 1.00 0.00 O ATOM 62 CB CYS A 5 7.172 -27.496 -0.658 1.00 0.00 C ATOM 63 SG CYS A 5 5.402 -27.445 -1.029 1.00 0.00 S ATOM 0 H CYS A 5 5.972 -28.770 1.161 1.00 0.00 H new ATOM 0 HA CYS A 5 7.621 -29.544 -1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.407 -26.797 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.747 -27.184 -1.530 1.00 0.00 H new ATOM 68 N LYS A 6 8.946 -28.942 1.749 1.00 0.00 N ATOM 69 CA LYS A 6 10.247 -28.936 2.474 1.00 0.00 C ATOM 70 C LYS A 6 11.154 -30.006 1.868 1.00 0.00 C ATOM 71 O LYS A 6 12.364 -29.904 1.899 1.00 0.00 O ATOM 72 CB LYS A 6 10.010 -29.240 3.955 1.00 0.00 C ATOM 73 CG LYS A 6 9.361 -28.026 4.621 1.00 0.00 C ATOM 74 CD LYS A 6 9.362 -28.211 6.140 1.00 0.00 C ATOM 75 CE LYS A 6 8.622 -27.041 6.795 1.00 0.00 C ATOM 76 NZ LYS A 6 8.841 -27.076 8.268 1.00 0.00 N ATOM 0 H LYS A 6 8.117 -28.982 2.342 1.00 0.00 H new ATOM 0 HA LYS A 6 10.718 -27.957 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.368 -30.114 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.954 -29.477 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.904 -27.119 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.340 -27.904 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.881 -29.153 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.386 -28.262 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.980 -26.096 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.556 -27.101 6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.338 -26.281 8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.479 -27.973 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.858 -26.998 8.470 1.00 0.00 H new ATOM 90 N ASP A 7 10.572 -31.028 1.305 1.00 0.00 N ATOM 91 CA ASP A 7 11.387 -32.103 0.677 1.00 0.00 C ATOM 92 C ASP A 7 11.232 -32.007 -0.838 1.00 0.00 C ATOM 93 O ASP A 7 11.362 -32.979 -1.555 1.00 0.00 O ATOM 94 CB ASP A 7 10.892 -33.470 1.159 1.00 0.00 C ATOM 95 CG ASP A 7 11.175 -33.617 2.654 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.954 -32.833 3.170 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.606 -34.511 3.259 1.00 0.00 O ATOM 0 H ASP A 7 9.563 -31.165 1.253 1.00 0.00 H new ATOM 0 HA ASP A 7 12.435 -31.988 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.823 -33.569 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.390 -34.265 0.604 1.00 0.00 H new ATOM 102 N TYR A 8 10.943 -30.832 -1.325 1.00 0.00 N ATOM 103 CA TYR A 8 10.762 -30.647 -2.790 1.00 0.00 C ATOM 104 C TYR A 8 12.123 -30.517 -3.472 1.00 0.00 C ATOM 105 O TYR A 8 13.066 -29.995 -2.911 1.00 0.00 O ATOM 106 CB TYR A 8 9.955 -29.372 -3.033 1.00 0.00 C ATOM 107 CG TYR A 8 9.070 -29.559 -4.237 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.603 -29.426 -5.524 1.00 0.00 C ATOM 109 CD2 TYR A 8 7.716 -29.861 -4.066 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.782 -29.598 -6.643 1.00 0.00 C ATOM 111 CE2 TYR A 8 6.892 -30.032 -5.183 1.00 0.00 C ATOM 112 CZ TYR A 8 7.424 -29.900 -6.473 1.00 0.00 C ATOM 113 OH TYR A 8 6.611 -30.069 -7.577 1.00 0.00 O ATOM 0 H TYR A 8 10.824 -29.987 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 8 10.237 -31.509 -3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.350 -29.139 -2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.627 -28.528 -3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.649 -29.190 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.306 -29.962 -3.072 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.194 -29.498 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.846 -30.266 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 8 5.699 -30.275 -7.283 1.00 0.00 H new ATOM 123 N ARG A 9 12.229 -30.981 -4.687 1.00 0.00 N ATOM 124 CA ARG A 9 13.523 -30.878 -5.415 1.00 0.00 C ATOM 125 C ARG A 9 13.251 -30.545 -6.882 1.00 0.00 C ATOM 126 O ARG A 9 12.671 -31.327 -7.609 1.00 0.00 O ATOM 127 CB ARG A 9 14.272 -32.207 -5.329 1.00 0.00 C ATOM 128 CG ARG A 9 15.275 -32.152 -4.176 1.00 0.00 C ATOM 129 CD ARG A 9 16.332 -33.242 -4.367 1.00 0.00 C ATOM 130 NE ARG A 9 16.622 -33.888 -3.055 1.00 0.00 N ATOM 131 CZ ARG A 9 17.456 -33.329 -2.221 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.578 -32.030 -2.189 1.00 0.00 N ATOM 133 NH2 ARG A 9 18.168 -34.070 -1.416 1.00 0.00 N ATOM 0 H ARG A 9 11.473 -31.428 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 9 14.130 -30.093 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.568 -33.024 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.790 -32.406 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.750 -31.172 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.761 -32.292 -3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.978 -33.986 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.243 -32.811 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 9 16.168 -34.768 -2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.021 -31.450 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.230 -31.595 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.072 -35.085 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.820 -33.634 -0.764 1.00 0.00 H new ATOM 147 N VAL A 10 13.662 -29.391 -7.320 1.00 0.00 N ATOM 148 CA VAL A 10 13.428 -29.004 -8.738 1.00 0.00 C ATOM 149 C VAL A 10 14.746 -28.543 -9.364 1.00 0.00 C ATOM 150 O VAL A 10 15.646 -28.095 -8.679 1.00 0.00 O ATOM 151 CB VAL A 10 12.399 -27.869 -8.791 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.058 -26.553 -8.370 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.860 -27.735 -10.216 1.00 0.00 C ATOM 0 H VAL A 10 14.152 -28.696 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 10 13.048 -29.860 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 10 11.579 -28.095 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.323 -25.749 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.440 -26.646 -7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.881 -26.325 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.128 -26.928 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.682 -27.512 -10.896 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.385 -28.670 -10.515 1.00 0.00 H new ATOM 163 N LEU A 11 14.870 -28.647 -10.659 1.00 0.00 N ATOM 164 CA LEU A 11 16.130 -28.215 -11.325 1.00 0.00 C ATOM 165 C LEU A 11 15.863 -26.949 -12.141 1.00 0.00 C ATOM 166 O LEU A 11 14.729 -26.567 -12.354 1.00 0.00 O ATOM 167 CB LEU A 11 16.617 -29.326 -12.258 1.00 0.00 C ATOM 168 CG LEU A 11 17.587 -30.240 -11.505 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.041 -31.668 -11.500 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.951 -30.219 -12.200 1.00 0.00 C ATOM 0 H LEU A 11 14.152 -29.013 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 11 16.891 -28.011 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.769 -29.903 -12.626 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.110 -28.894 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 11 17.696 -29.888 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.731 -32.320 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.069 -31.684 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.933 -32.020 -12.526 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.642 -30.870 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.842 -30.571 -13.226 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.341 -29.201 -12.205 1.00 0.00 H new ATOM 182 N PRO A 12 16.932 -26.290 -12.611 1.00 0.00 N ATOM 183 CA PRO A 12 16.817 -25.064 -13.414 1.00 0.00 C ATOM 184 C PRO A 12 16.186 -25.344 -14.780 1.00 0.00 C ATOM 185 O PRO A 12 15.600 -24.473 -15.394 1.00 0.00 O ATOM 186 CB PRO A 12 18.267 -24.611 -13.583 1.00 0.00 C ATOM 187 CG PRO A 12 19.066 -25.859 -13.423 1.00 0.00 C ATOM 188 CD PRO A 12 18.336 -26.682 -12.402 1.00 0.00 C ATOM 0 HA PRO A 12 16.180 -24.317 -12.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.430 -24.157 -14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.540 -23.866 -12.836 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.150 -26.394 -14.369 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.080 -25.635 -13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.486 -27.750 -12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.671 -26.460 -11.389 1.00 0.00 H new ATOM 196 N ARG A 13 16.296 -26.553 -15.258 1.00 0.00 N ATOM 197 CA ARG A 13 15.695 -26.891 -16.579 1.00 0.00 C ATOM 198 C ARG A 13 14.286 -27.445 -16.364 1.00 0.00 C ATOM 199 O ARG A 13 13.441 -27.374 -17.234 1.00 0.00 O ATOM 200 CB ARG A 13 16.555 -27.946 -17.280 1.00 0.00 C ATOM 201 CG ARG A 13 15.916 -28.315 -18.622 1.00 0.00 C ATOM 202 CD ARG A 13 16.647 -29.515 -19.225 1.00 0.00 C ATOM 203 NE ARG A 13 16.170 -29.739 -20.620 1.00 0.00 N ATOM 204 CZ ARG A 13 16.081 -30.953 -21.093 1.00 0.00 C ATOM 205 NH1 ARG A 13 14.911 -31.516 -21.232 1.00 0.00 N ATOM 206 NH2 ARG A 13 17.162 -31.603 -21.427 1.00 0.00 N ATOM 0 H ARG A 13 16.776 -27.322 -14.791 1.00 0.00 H new ATOM 0 HA ARG A 13 15.648 -25.995 -17.198 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.563 -27.563 -17.438 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.646 -28.832 -16.652 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.861 -28.552 -18.481 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.964 -27.467 -19.305 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.723 -29.338 -19.221 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.468 -30.404 -18.621 1.00 0.00 H new ATOM 0 HE ARG A 13 15.913 -28.944 -21.205 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.066 -31.008 -20.971 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.842 -32.464 -21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.076 -31.163 -21.319 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.093 -32.551 -21.796 1.00 0.00 H new ATOM 220 N ILE A 14 14.028 -27.996 -15.210 1.00 0.00 N ATOM 221 CA ILE A 14 12.676 -28.555 -14.936 1.00 0.00 C ATOM 222 C ILE A 14 11.759 -27.440 -14.427 1.00 0.00 C ATOM 223 O ILE A 14 10.602 -27.361 -14.789 1.00 0.00 O ATOM 224 CB ILE A 14 12.786 -29.650 -13.873 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.610 -30.816 -14.427 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.389 -30.145 -13.499 1.00 0.00 C ATOM 227 CD1 ILE A 14 13.761 -31.892 -13.348 1.00 0.00 C ATOM 0 H ILE A 14 14.697 -28.083 -14.445 1.00 0.00 H new ATOM 0 HA ILE A 14 12.262 -28.977 -15.852 1.00 0.00 H new ATOM 0 HB ILE A 14 13.275 -29.246 -12.986 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.122 -31.234 -15.307 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.591 -30.463 -14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.470 -30.925 -12.742 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.803 -29.315 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.897 -30.548 -14.384 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.347 -32.722 -13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.268 -31.469 -12.481 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.775 -32.252 -13.053 1.00 0.00 H new ATOM 239 N GLY A 15 12.268 -26.577 -13.591 1.00 0.00 N ATOM 240 CA GLY A 15 11.427 -25.469 -13.060 1.00 0.00 C ATOM 241 C GLY A 15 10.395 -26.035 -12.085 1.00 0.00 C ATOM 242 O GLY A 15 9.904 -27.134 -12.254 1.00 0.00 O ATOM 0 H GLY A 15 13.230 -26.592 -13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.053 -24.732 -12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.925 -24.954 -13.879 1.00 0.00 H new ATOM 246 N TYR A 16 10.060 -25.294 -11.064 1.00 0.00 N ATOM 247 CA TYR A 16 9.060 -25.795 -10.079 1.00 0.00 C ATOM 248 C TYR A 16 7.808 -26.266 -10.823 1.00 0.00 C ATOM 249 O TYR A 16 7.480 -25.770 -11.884 1.00 0.00 O ATOM 250 CB TYR A 16 8.690 -24.673 -9.109 1.00 0.00 C ATOM 251 CG TYR A 16 8.381 -25.264 -7.753 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.183 -25.956 -7.550 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.295 -25.124 -6.700 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.895 -26.510 -6.297 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.008 -25.676 -5.447 1.00 0.00 C ATOM 256 CZ TYR A 16 7.808 -26.369 -5.245 1.00 0.00 C ATOM 257 OH TYR A 16 7.526 -26.914 -4.009 1.00 0.00 O ATOM 0 H TYR A 16 10.435 -24.365 -10.870 1.00 0.00 H new ATOM 0 HA TYR A 16 9.485 -26.628 -9.519 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.511 -23.961 -9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.827 -24.123 -9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.478 -26.063 -8.361 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.221 -24.590 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.970 -27.045 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.712 -25.568 -4.635 1.00 0.00 H new ATOM 0 HH TYR A 16 7.963 -27.788 -3.929 1.00 0.00 H new ATOM 267 N LEU A 17 7.106 -27.219 -10.276 1.00 0.00 N ATOM 268 CA LEU A 17 5.877 -27.721 -10.952 1.00 0.00 C ATOM 269 C LEU A 17 4.661 -27.440 -10.070 1.00 0.00 C ATOM 270 O LEU A 17 4.688 -27.648 -8.874 1.00 0.00 O ATOM 271 CB LEU A 17 5.998 -29.227 -11.185 1.00 0.00 C ATOM 272 CG LEU A 17 7.440 -29.575 -11.562 1.00 0.00 C ATOM 273 CD1 LEU A 17 8.300 -29.622 -10.296 1.00 0.00 C ATOM 274 CD2 LEU A 17 7.471 -30.941 -12.251 1.00 0.00 C ATOM 0 H LEU A 17 7.330 -27.672 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 17 5.759 -27.215 -11.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.706 -29.769 -10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.319 -29.538 -11.979 1.00 0.00 H new ATOM 0 HG LEU A 17 7.832 -28.817 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.327 -29.870 -10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.277 -28.649 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.908 -30.380 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.498 -31.190 -12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.080 -31.699 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.858 -30.908 -13.152 1.00 0.00 H new ATOM 286 N CYS A 18 3.592 -26.969 -10.653 1.00 0.00 N ATOM 287 CA CYS A 18 2.370 -26.675 -9.853 1.00 0.00 C ATOM 288 C CYS A 18 1.133 -27.038 -10.673 1.00 0.00 C ATOM 289 O CYS A 18 1.177 -27.093 -11.886 1.00 0.00 O ATOM 290 CB CYS A 18 2.336 -25.185 -9.508 1.00 0.00 C ATOM 291 SG CYS A 18 3.807 -24.761 -8.545 1.00 0.00 S ATOM 0 H CYS A 18 3.513 -26.775 -11.651 1.00 0.00 H new ATOM 0 HA CYS A 18 2.383 -27.260 -8.933 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.300 -24.589 -10.420 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.436 -24.952 -8.940 1.00 0.00 H new ATOM 296 N PRO A 19 0.008 -27.288 -9.994 1.00 0.00 N ATOM 297 CA PRO A 19 -1.252 -27.645 -10.654 1.00 0.00 C ATOM 298 C PRO A 19 -1.849 -26.460 -11.415 1.00 0.00 C ATOM 299 O PRO A 19 -1.456 -25.327 -11.227 1.00 0.00 O ATOM 300 CB PRO A 19 -2.166 -28.039 -9.495 1.00 0.00 C ATOM 301 CG PRO A 19 -1.611 -27.313 -8.315 1.00 0.00 C ATOM 302 CD PRO A 19 -0.125 -27.238 -8.528 1.00 0.00 C ATOM 0 HA PRO A 19 -1.118 -28.435 -11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.199 -27.750 -9.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.161 -29.117 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.043 -26.316 -8.233 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.845 -27.839 -7.389 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.295 -26.320 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.393 -28.068 -8.048 1.00 0.00 H new ATOM 310 N LYS A 20 -2.798 -26.714 -12.273 1.00 0.00 N ATOM 311 CA LYS A 20 -3.419 -25.602 -13.045 1.00 0.00 C ATOM 312 C LYS A 20 -4.584 -25.017 -12.247 1.00 0.00 C ATOM 313 O LYS A 20 -5.088 -23.954 -12.554 1.00 0.00 O ATOM 314 CB LYS A 20 -3.929 -26.135 -14.386 1.00 0.00 C ATOM 315 CG LYS A 20 -2.742 -26.593 -15.236 1.00 0.00 C ATOM 316 CD LYS A 20 -3.231 -26.979 -16.632 1.00 0.00 C ATOM 317 CE LYS A 20 -2.041 -27.430 -17.482 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.799 -28.885 -17.267 1.00 0.00 N ATOM 0 H LYS A 20 -3.170 -27.643 -12.473 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.677 -24.824 -13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.615 -26.966 -14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.487 -25.359 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.002 -25.795 -15.306 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.250 -27.443 -14.764 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.967 -27.780 -16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.727 -26.130 -17.103 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.239 -27.235 -18.536 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.152 -26.859 -17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.990 -29.191 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.592 -29.058 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.645 -29.422 -17.544 1.00 0.00 H new ATOM 332 N ASP A 21 -5.015 -25.699 -11.222 1.00 0.00 N ATOM 333 CA ASP A 21 -6.144 -25.179 -10.402 1.00 0.00 C ATOM 334 C ASP A 21 -5.654 -23.995 -9.565 1.00 0.00 C ATOM 335 O ASP A 21 -4.822 -24.143 -8.692 1.00 0.00 O ATOM 336 CB ASP A 21 -6.650 -26.283 -9.473 1.00 0.00 C ATOM 337 CG ASP A 21 -7.956 -25.837 -8.813 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.439 -24.771 -9.161 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.451 -26.568 -7.971 1.00 0.00 O ATOM 0 H ASP A 21 -4.634 -26.594 -10.917 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.954 -24.856 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.811 -27.202 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.902 -26.503 -8.711 1.00 0.00 H new ATOM 344 N LEU A 22 -6.159 -22.820 -9.827 1.00 0.00 N ATOM 345 CA LEU A 22 -5.715 -21.633 -9.044 1.00 0.00 C ATOM 346 C LEU A 22 -6.443 -21.603 -7.699 1.00 0.00 C ATOM 347 O LEU A 22 -7.654 -21.543 -7.639 1.00 0.00 O ATOM 348 CB LEU A 22 -6.031 -20.354 -9.820 1.00 0.00 C ATOM 349 CG LEU A 22 -5.573 -19.143 -9.003 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.097 -19.306 -8.638 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.758 -17.868 -9.828 1.00 0.00 C ATOM 0 H LEU A 22 -6.857 -22.632 -10.547 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.640 -21.698 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.527 -20.367 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.101 -20.290 -10.019 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.168 -19.073 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.769 -18.445 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.966 -20.213 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.503 -19.376 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.432 -17.007 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.164 -17.935 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.810 -17.752 -10.088 1.00 0.00 H new ATOM 363 N LYS A 23 -5.711 -21.636 -6.621 1.00 0.00 N ATOM 364 CA LYS A 23 -6.358 -21.601 -5.279 1.00 0.00 C ATOM 365 C LYS A 23 -5.579 -20.647 -4.373 1.00 0.00 C ATOM 366 O LYS A 23 -4.484 -20.944 -3.940 1.00 0.00 O ATOM 367 CB LYS A 23 -6.357 -23.007 -4.672 1.00 0.00 C ATOM 368 CG LYS A 23 -7.455 -23.847 -5.328 1.00 0.00 C ATOM 369 CD LYS A 23 -7.565 -25.192 -4.608 1.00 0.00 C ATOM 370 CE LYS A 23 -8.884 -25.250 -3.835 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.600 -25.349 -2.375 1.00 0.00 N ATOM 0 H LYS A 23 -4.692 -21.686 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.387 -21.255 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.386 -23.478 -4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.522 -22.950 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.408 -23.319 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.227 -24.004 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.518 -26.008 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.725 -25.321 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.478 -24.360 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.472 -26.108 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.496 -25.388 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.049 -26.211 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.056 -24.517 -2.070 1.00 0.00 H new ATOM 385 N PRO A 24 -6.163 -19.474 -4.089 1.00 0.00 N ATOM 386 CA PRO A 24 -5.534 -18.450 -3.240 1.00 0.00 C ATOM 387 C PRO A 24 -5.363 -18.921 -1.795 1.00 0.00 C ATOM 388 O PRO A 24 -6.315 -19.271 -1.131 1.00 0.00 O ATOM 389 CB PRO A 24 -6.520 -17.281 -3.304 1.00 0.00 C ATOM 390 CG PRO A 24 -7.825 -17.916 -3.641 1.00 0.00 C ATOM 391 CD PRO A 24 -7.492 -19.051 -4.564 1.00 0.00 C ATOM 0 HA PRO A 24 -4.530 -18.199 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.570 -16.751 -2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.225 -16.553 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.330 -18.275 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.496 -17.204 -4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.222 -19.857 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.467 -18.732 -5.606 1.00 0.00 H new ATOM 399 N VAL A 25 -4.153 -18.934 -1.306 1.00 0.00 N ATOM 400 CA VAL A 25 -3.928 -19.384 0.099 1.00 0.00 C ATOM 401 C VAL A 25 -3.318 -18.246 0.918 1.00 0.00 C ATOM 402 O VAL A 25 -2.668 -17.366 0.390 1.00 0.00 O ATOM 403 CB VAL A 25 -2.957 -20.566 0.114 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.471 -21.673 -0.804 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.584 -20.095 -0.372 1.00 0.00 C ATOM 0 H VAL A 25 -3.314 -18.654 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.885 -19.680 0.528 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.876 -20.955 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.775 -22.511 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.449 -22.007 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.557 -21.291 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.888 -20.934 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.671 -19.706 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.214 -19.310 0.287 1.00 0.00 H new ATOM 415 N CYS A 26 -3.502 -18.273 2.210 1.00 0.00 N ATOM 416 CA CYS A 26 -2.909 -17.210 3.067 1.00 0.00 C ATOM 417 C CYS A 26 -1.597 -17.737 3.648 1.00 0.00 C ATOM 418 O CYS A 26 -1.500 -18.881 4.039 1.00 0.00 O ATOM 419 CB CYS A 26 -3.867 -16.857 4.209 1.00 0.00 C ATOM 420 SG CYS A 26 -3.045 -15.716 5.348 1.00 0.00 S ATOM 0 H CYS A 26 -4.037 -18.985 2.708 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.730 -16.314 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.774 -16.401 3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.170 -17.761 4.737 1.00 0.00 H new ATOM 425 N GLY A 27 -0.585 -16.921 3.700 1.00 0.00 N ATOM 426 CA GLY A 27 0.718 -17.384 4.251 1.00 0.00 C ATOM 427 C GLY A 27 0.782 -17.060 5.744 1.00 0.00 C ATOM 428 O GLY A 27 0.348 -16.013 6.181 1.00 0.00 O ATOM 0 H GLY A 27 -0.603 -15.951 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.831 -18.457 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.541 -16.898 3.727 1.00 0.00 H new ATOM 432 N ASP A 28 1.321 -17.950 6.530 1.00 0.00 N ATOM 433 CA ASP A 28 1.410 -17.688 7.995 1.00 0.00 C ATOM 434 C ASP A 28 2.453 -16.599 8.260 1.00 0.00 C ATOM 435 O ASP A 28 2.631 -16.157 9.377 1.00 0.00 O ATOM 436 CB ASP A 28 1.811 -18.974 8.720 1.00 0.00 C ATOM 437 CG ASP A 28 1.817 -18.726 10.229 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.299 -17.703 10.644 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.338 -19.566 10.945 1.00 0.00 O ATOM 0 H ASP A 28 1.703 -18.845 6.223 1.00 0.00 H new ATOM 0 HA ASP A 28 0.440 -17.353 8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.114 -19.775 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.798 -19.298 8.390 1.00 0.00 H new ATOM 444 N ASP A 29 3.140 -16.159 7.241 1.00 0.00 N ATOM 445 CA ASP A 29 4.165 -15.096 7.439 1.00 0.00 C ATOM 446 C ASP A 29 3.534 -13.725 7.180 1.00 0.00 C ATOM 447 O ASP A 29 4.202 -12.711 7.200 1.00 0.00 O ATOM 448 CB ASP A 29 5.324 -15.314 6.466 1.00 0.00 C ATOM 449 CG ASP A 29 6.155 -16.514 6.927 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.909 -16.993 8.022 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.021 -16.933 6.177 1.00 0.00 O ATOM 0 H ASP A 29 3.036 -16.489 6.282 1.00 0.00 H new ATOM 0 HA ASP A 29 4.538 -15.139 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.941 -15.487 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.948 -14.421 6.420 1.00 0.00 H new ATOM 456 N GLY A 30 2.252 -13.686 6.936 1.00 0.00 N ATOM 457 CA GLY A 30 1.582 -12.381 6.676 1.00 0.00 C ATOM 458 C GLY A 30 1.549 -12.113 5.170 1.00 0.00 C ATOM 459 O GLY A 30 1.392 -10.990 4.735 1.00 0.00 O ATOM 0 H GLY A 30 1.640 -14.502 6.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.568 -12.395 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.115 -11.579 7.187 1.00 0.00 H new ATOM 463 N GLN A 31 1.692 -13.135 4.371 1.00 0.00 N ATOM 464 CA GLN A 31 1.668 -12.934 2.894 1.00 0.00 C ATOM 465 C GLN A 31 0.596 -13.831 2.273 1.00 0.00 C ATOM 466 O GLN A 31 0.127 -14.765 2.888 1.00 0.00 O ATOM 467 CB GLN A 31 3.033 -13.299 2.307 1.00 0.00 C ATOM 468 CG GLN A 31 4.068 -12.252 2.727 1.00 0.00 C ATOM 469 CD GLN A 31 5.468 -12.748 2.361 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.628 -13.855 1.885 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.497 -11.971 2.563 1.00 0.00 N ATOM 0 H GLN A 31 1.824 -14.099 4.676 1.00 0.00 H new ATOM 0 HA GLN A 31 1.443 -11.890 2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.338 -14.286 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.971 -13.349 1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.865 -11.303 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.003 -12.070 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.364 -11.042 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.434 -12.293 2.321 1.00 0.00 H new ATOM 480 N THR A 32 0.208 -13.558 1.057 1.00 0.00 N ATOM 481 CA THR A 32 -0.829 -14.400 0.396 1.00 0.00 C ATOM 482 C THR A 32 -0.282 -14.915 -0.936 1.00 0.00 C ATOM 483 O THR A 32 0.318 -14.182 -1.695 1.00 0.00 O ATOM 484 CB THR A 32 -2.084 -13.564 0.139 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.649 -13.167 1.381 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.099 -14.398 -0.644 1.00 0.00 C ATOM 0 H THR A 32 0.565 -12.787 0.492 1.00 0.00 H new ATOM 0 HA THR A 32 -1.082 -15.241 1.042 1.00 0.00 H new ATOM 0 HB THR A 32 -1.821 -12.678 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.353 -12.503 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.994 -13.803 -0.828 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.663 -14.702 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.364 -15.284 -0.067 1.00 0.00 H new ATOM 494 N TYR A 33 -0.483 -16.170 -1.226 1.00 0.00 N ATOM 495 CA TYR A 33 0.028 -16.725 -2.509 1.00 0.00 C ATOM 496 C TYR A 33 -1.150 -17.152 -3.380 1.00 0.00 C ATOM 497 O TYR A 33 -2.042 -17.849 -2.938 1.00 0.00 O ATOM 498 CB TYR A 33 0.922 -17.930 -2.220 1.00 0.00 C ATOM 499 CG TYR A 33 2.015 -17.518 -1.264 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.758 -17.473 0.112 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.282 -17.178 -1.752 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.768 -17.086 0.999 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.293 -16.792 -0.864 1.00 0.00 C ATOM 504 CZ TYR A 33 4.036 -16.746 0.512 1.00 0.00 C ATOM 505 OH TYR A 33 5.032 -16.363 1.388 1.00 0.00 O ATOM 0 H TYR A 33 -0.978 -16.834 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 33 0.607 -15.965 -3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.333 -18.740 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.355 -18.307 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.781 -17.737 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.480 -17.213 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.570 -17.049 2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.271 -16.530 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 33 5.103 -15.386 1.396 1.00 0.00 H new ATOM 515 N ASN A 34 -1.166 -16.734 -4.615 1.00 0.00 N ATOM 516 CA ASN A 34 -2.294 -17.112 -5.509 1.00 0.00 C ATOM 517 C ASN A 34 -2.451 -18.632 -5.527 1.00 0.00 C ATOM 518 O ASN A 34 -3.323 -19.180 -4.888 1.00 0.00 O ATOM 519 CB ASN A 34 -2.023 -16.598 -6.927 1.00 0.00 C ATOM 520 CG ASN A 34 -1.452 -15.183 -6.853 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.909 -14.370 -6.073 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.465 -14.851 -7.638 1.00 0.00 N ATOM 0 H ASN A 34 -0.448 -16.149 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.215 -16.663 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.322 -17.259 -7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.945 -16.600 -7.509 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.076 -13.909 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.082 -15.533 -8.292 1.00 0.00 H new ATOM 529 N ASN A 35 -1.622 -19.321 -6.254 1.00 0.00 N ATOM 530 CA ASN A 35 -1.738 -20.805 -6.306 1.00 0.00 C ATOM 531 C ASN A 35 -1.051 -21.420 -5.084 1.00 0.00 C ATOM 532 O ASN A 35 -0.079 -20.894 -4.580 1.00 0.00 O ATOM 533 CB ASN A 35 -1.086 -21.307 -7.598 1.00 0.00 C ATOM 534 CG ASN A 35 -0.901 -22.824 -7.546 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.146 -23.329 -6.741 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.562 -23.576 -8.384 1.00 0.00 N ATOM 0 H ASN A 35 -0.869 -18.923 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.788 -21.099 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.706 -21.039 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.121 -20.821 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.444 -24.589 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.196 -23.151 -9.060 1.00 0.00 H new ATOM 543 N PRO A 36 -1.570 -22.561 -4.599 1.00 0.00 N ATOM 544 CA PRO A 36 -1.009 -23.257 -3.431 1.00 0.00 C ATOM 545 C PRO A 36 0.420 -23.737 -3.691 1.00 0.00 C ATOM 546 O PRO A 36 1.327 -23.438 -2.941 1.00 0.00 O ATOM 547 CB PRO A 36 -1.955 -24.445 -3.235 1.00 0.00 C ATOM 548 CG PRO A 36 -2.559 -24.653 -4.579 1.00 0.00 C ATOM 549 CD PRO A 36 -2.738 -23.274 -5.144 1.00 0.00 C ATOM 0 HA PRO A 36 -0.941 -22.611 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.417 -25.331 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.716 -24.229 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.911 -25.258 -5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.512 -25.176 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.741 -23.278 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.677 -22.822 -4.824 1.00 0.00 H new ATOM 557 N CYS A 37 0.639 -24.461 -4.756 1.00 0.00 N ATOM 558 CA CYS A 37 2.020 -24.925 -5.054 1.00 0.00 C ATOM 559 C CYS A 37 2.905 -23.693 -5.242 1.00 0.00 C ATOM 560 O CYS A 37 4.087 -23.712 -4.959 1.00 0.00 O ATOM 561 CB CYS A 37 2.011 -25.766 -6.334 1.00 0.00 C ATOM 562 SG CYS A 37 3.707 -25.979 -6.937 1.00 0.00 S ATOM 0 H CYS A 37 -0.074 -24.748 -5.426 1.00 0.00 H new ATOM 0 HA CYS A 37 2.403 -25.537 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.559 -26.739 -6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.402 -25.279 -7.096 1.00 0.00 H new ATOM 567 N MET A 38 2.331 -22.617 -5.708 1.00 0.00 N ATOM 568 CA MET A 38 3.120 -21.372 -5.905 1.00 0.00 C ATOM 569 C MET A 38 3.623 -20.886 -4.545 1.00 0.00 C ATOM 570 O MET A 38 4.509 -20.059 -4.456 1.00 0.00 O ATOM 571 CB MET A 38 2.224 -20.304 -6.540 1.00 0.00 C ATOM 572 CG MET A 38 2.307 -20.407 -8.064 1.00 0.00 C ATOM 573 SD MET A 38 3.974 -19.960 -8.611 1.00 0.00 S ATOM 574 CE MET A 38 3.884 -18.201 -8.195 1.00 0.00 C ATOM 0 H MET A 38 1.345 -22.549 -5.961 1.00 0.00 H new ATOM 0 HA MET A 38 3.969 -21.564 -6.561 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.193 -20.437 -6.212 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.537 -19.312 -6.215 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.068 -21.421 -8.384 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.573 -19.746 -8.524 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.222 -17.608 -9.045 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.854 -17.936 -7.954 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.522 -17.997 -7.335 1.00 0.00 H new ATOM 584 N LEU A 39 3.062 -21.401 -3.485 1.00 0.00 N ATOM 585 CA LEU A 39 3.498 -20.985 -2.122 1.00 0.00 C ATOM 586 C LEU A 39 4.910 -21.502 -1.865 1.00 0.00 C ATOM 587 O LEU A 39 5.782 -20.762 -1.452 1.00 0.00 O ATOM 588 CB LEU A 39 2.530 -21.568 -1.089 1.00 0.00 C ATOM 589 CG LEU A 39 3.101 -21.381 0.318 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.222 -19.889 0.625 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.167 -22.038 1.336 1.00 0.00 C ATOM 0 H LEU A 39 2.316 -22.096 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 39 3.497 -19.898 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.561 -21.076 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.366 -22.627 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 39 4.086 -21.844 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.629 -19.756 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.886 -19.421 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.237 -19.425 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.572 -21.906 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.182 -21.575 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.081 -23.102 1.117 1.00 0.00 H new ATOM 603 N CYS A 40 5.155 -22.757 -2.115 1.00 0.00 N ATOM 604 CA CYS A 40 6.526 -23.286 -1.893 1.00 0.00 C ATOM 605 C CYS A 40 7.448 -22.673 -2.944 1.00 0.00 C ATOM 606 O CYS A 40 8.648 -22.601 -2.772 1.00 0.00 O ATOM 607 CB CYS A 40 6.532 -24.811 -2.011 1.00 0.00 C ATOM 608 SG CYS A 40 5.003 -25.484 -1.313 1.00 0.00 S ATOM 0 H CYS A 40 4.473 -23.432 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 40 6.870 -23.024 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.625 -25.104 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.394 -25.222 -1.486 1.00 0.00 H new ATOM 613 N HIS A 41 6.883 -22.211 -4.026 1.00 0.00 N ATOM 614 CA HIS A 41 7.705 -21.577 -5.092 1.00 0.00 C ATOM 615 C HIS A 41 8.223 -20.234 -4.582 1.00 0.00 C ATOM 616 O HIS A 41 9.411 -19.982 -4.565 1.00 0.00 O ATOM 617 CB HIS A 41 6.840 -21.349 -6.329 1.00 0.00 C ATOM 618 CG HIS A 41 7.721 -21.146 -7.532 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.643 -22.096 -7.943 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.835 -20.104 -8.418 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.266 -21.610 -9.033 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.811 -20.399 -9.366 1.00 0.00 N ATOM 0 H HIS A 41 5.882 -22.246 -4.217 1.00 0.00 H new ATOM 0 HA HIS A 41 8.543 -22.225 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.182 -22.204 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.201 -20.478 -6.183 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.818 -22.998 -7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.255 -19.193 -8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.040 -22.136 -9.573 1.00 0.00 H new ATOM 630 N GLU A 42 7.340 -19.372 -4.150 1.00 0.00 N ATOM 631 CA GLU A 42 7.796 -18.056 -3.627 1.00 0.00 C ATOM 632 C GLU A 42 8.651 -18.304 -2.388 1.00 0.00 C ATOM 633 O GLU A 42 9.434 -17.468 -1.973 1.00 0.00 O ATOM 634 CB GLU A 42 6.583 -17.201 -3.252 1.00 0.00 C ATOM 635 CG GLU A 42 5.858 -16.759 -4.525 1.00 0.00 C ATOM 636 CD GLU A 42 4.821 -15.691 -4.177 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.816 -15.245 -3.041 1.00 0.00 O ATOM 638 OE2 GLU A 42 4.049 -15.334 -5.052 1.00 0.00 O ATOM 0 H GLU A 42 6.331 -19.523 -4.138 1.00 0.00 H new ATOM 0 HA GLU A 42 8.375 -17.530 -4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.907 -17.770 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.902 -16.329 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.574 -16.364 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.372 -17.614 -4.995 1.00 0.00 H new ATOM 645 N ASN A 43 8.511 -19.461 -1.800 1.00 0.00 N ATOM 646 CA ASN A 43 9.316 -19.784 -0.592 1.00 0.00 C ATOM 647 C ASN A 43 10.747 -20.095 -1.022 1.00 0.00 C ATOM 648 O ASN A 43 11.695 -19.798 -0.324 1.00 0.00 O ATOM 649 CB ASN A 43 8.711 -20.998 0.116 1.00 0.00 C ATOM 650 CG ASN A 43 7.327 -20.631 0.655 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.005 -19.467 0.795 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.488 -21.581 0.966 1.00 0.00 N ATOM 0 H ASN A 43 7.873 -20.196 -2.106 1.00 0.00 H new ATOM 0 HA ASN A 43 9.315 -18.937 0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.634 -21.836 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.359 -21.318 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.563 -21.347 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.757 -22.558 0.849 1.00 0.00 H new ATOM 659 N LEU A 44 10.913 -20.680 -2.179 1.00 0.00 N ATOM 660 CA LEU A 44 12.287 -20.992 -2.659 1.00 0.00 C ATOM 661 C LEU A 44 13.076 -19.686 -2.752 1.00 0.00 C ATOM 662 O LEU A 44 14.252 -19.634 -2.453 1.00 0.00 O ATOM 663 CB LEU A 44 12.214 -21.646 -4.041 1.00 0.00 C ATOM 664 CG LEU A 44 11.555 -23.023 -3.926 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.758 -23.792 -5.233 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.191 -23.802 -2.772 1.00 0.00 C ATOM 0 H LEU A 44 10.159 -20.953 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 44 12.777 -21.678 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.644 -21.015 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.215 -21.745 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 44 10.489 -22.901 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.290 -24.773 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.304 -23.238 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.825 -23.913 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.721 -24.782 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.257 -23.926 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.049 -23.254 -1.841 1.00 0.00 H new ATOM 678 N ILE A 45 12.427 -18.626 -3.153 1.00 0.00 N ATOM 679 CA ILE A 45 13.126 -17.316 -3.253 1.00 0.00 C ATOM 680 C ILE A 45 13.377 -16.784 -1.843 1.00 0.00 C ATOM 681 O ILE A 45 14.477 -16.397 -1.501 1.00 0.00 O ATOM 682 CB ILE A 45 12.253 -16.323 -4.023 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.598 -17.030 -5.209 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.118 -15.168 -4.531 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.660 -17.807 -5.991 1.00 0.00 C ATOM 0 H ILE A 45 11.441 -18.613 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 45 14.072 -17.442 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 45 11.479 -15.933 -3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.821 -17.709 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.114 -16.301 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.495 -14.461 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.583 -14.662 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.893 -15.557 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.193 -18.311 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.421 -17.117 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.124 -18.547 -5.339 1.00 0.00 H new ATOM 697 N ARG A 46 12.365 -16.770 -1.017 1.00 0.00 N ATOM 698 CA ARG A 46 12.553 -16.271 0.375 1.00 0.00 C ATOM 699 C ARG A 46 13.440 -17.253 1.143 1.00 0.00 C ATOM 700 O ARG A 46 14.113 -16.892 2.088 1.00 0.00 O ATOM 701 CB ARG A 46 11.196 -16.159 1.070 1.00 0.00 C ATOM 702 CG ARG A 46 11.357 -15.363 2.367 1.00 0.00 C ATOM 703 CD ARG A 46 10.033 -15.361 3.134 1.00 0.00 C ATOM 704 NE ARG A 46 10.226 -14.688 4.449 1.00 0.00 N ATOM 705 CZ ARG A 46 9.251 -14.002 4.981 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.571 -14.500 5.976 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.957 -12.818 4.517 1.00 0.00 N ATOM 0 H ARG A 46 11.421 -17.081 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 46 13.025 -15.289 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.478 -15.667 0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.802 -17.152 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.144 -15.802 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.661 -14.340 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.266 -14.844 2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.685 -16.383 3.283 1.00 0.00 H new ATOM 0 HE ARG A 46 11.120 -14.763 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.801 -15.425 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.809 -13.964 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.489 -12.429 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.195 -12.282 4.933 1.00 0.00 H new ATOM 721 N GLN A 47 13.445 -18.495 0.739 1.00 0.00 N ATOM 722 CA GLN A 47 14.287 -19.509 1.435 1.00 0.00 C ATOM 723 C GLN A 47 13.804 -19.682 2.875 1.00 0.00 C ATOM 724 O GLN A 47 14.589 -19.747 3.800 1.00 0.00 O ATOM 725 CB GLN A 47 15.746 -19.049 1.434 1.00 0.00 C ATOM 726 CG GLN A 47 16.228 -18.899 -0.011 1.00 0.00 C ATOM 727 CD GLN A 47 17.706 -18.510 -0.017 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.249 -18.124 0.998 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.385 -18.594 -1.129 1.00 0.00 N ATOM 0 H GLN A 47 12.900 -18.852 -0.046 1.00 0.00 H new ATOM 0 HA GLN A 47 14.207 -20.463 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.840 -18.100 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.367 -19.771 1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.085 -19.834 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.639 -18.140 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.929 -18.918 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.372 -18.335 -1.145 1.00 0.00 H new ATOM 738 N THR A 48 12.518 -19.761 3.073 1.00 0.00 N ATOM 739 CA THR A 48 11.985 -19.936 4.454 1.00 0.00 C ATOM 740 C THR A 48 10.944 -21.057 4.456 1.00 0.00 C ATOM 741 O THR A 48 10.487 -21.495 3.419 1.00 0.00 O ATOM 742 CB THR A 48 11.333 -18.633 4.920 1.00 0.00 C ATOM 743 OG1 THR A 48 10.223 -18.338 4.087 1.00 0.00 O ATOM 744 CG2 THR A 48 12.348 -17.493 4.844 1.00 0.00 C ATOM 0 H THR A 48 11.812 -19.712 2.338 1.00 0.00 H new ATOM 0 HA THR A 48 12.801 -20.193 5.130 1.00 0.00 H new ATOM 0 HB THR A 48 10.996 -18.745 5.951 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.394 -18.582 4.549 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.880 -16.566 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.199 -17.720 5.486 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.690 -17.378 3.815 1.00 0.00 H new ATOM 752 N ASN A 49 10.564 -21.525 5.614 1.00 0.00 N ATOM 753 CA ASN A 49 9.551 -22.616 5.679 1.00 0.00 C ATOM 754 C ASN A 49 8.164 -22.009 5.895 1.00 0.00 C ATOM 755 O ASN A 49 7.507 -22.272 6.883 1.00 0.00 O ATOM 756 CB ASN A 49 9.886 -23.552 6.841 1.00 0.00 C ATOM 757 CG ASN A 49 11.191 -24.290 6.541 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.607 -24.374 5.402 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.861 -24.833 7.520 1.00 0.00 N ATOM 0 H ASN A 49 10.911 -21.199 6.516 1.00 0.00 H new ATOM 0 HA ASN A 49 9.560 -23.179 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.982 -22.982 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.077 -24.267 6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.733 -25.327 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.513 -24.763 8.476 1.00 0.00 H new ATOM 766 N THR A 50 7.711 -21.197 4.979 1.00 0.00 N ATOM 767 CA THR A 50 6.367 -20.574 5.133 1.00 0.00 C ATOM 768 C THR A 50 5.283 -21.629 4.907 1.00 0.00 C ATOM 769 O THR A 50 5.381 -22.455 4.022 1.00 0.00 O ATOM 770 CB THR A 50 6.199 -19.451 4.108 1.00 0.00 C ATOM 771 OG1 THR A 50 7.269 -18.526 4.243 1.00 0.00 O ATOM 772 CG2 THR A 50 4.867 -18.735 4.346 1.00 0.00 C ATOM 0 H THR A 50 8.214 -20.938 4.130 1.00 0.00 H new ATOM 0 HA THR A 50 6.275 -20.165 6.139 1.00 0.00 H new ATOM 0 HB THR A 50 6.207 -19.871 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.308 -18.204 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.748 -17.935 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.048 -19.446 4.242 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.855 -18.313 5.351 1.00 0.00 H new ATOM 780 N HIS A 51 4.248 -21.602 5.697 1.00 0.00 N ATOM 781 CA HIS A 51 3.153 -22.596 5.526 1.00 0.00 C ATOM 782 C HIS A 51 1.853 -21.857 5.213 1.00 0.00 C ATOM 783 O HIS A 51 1.794 -20.645 5.255 1.00 0.00 O ATOM 784 CB HIS A 51 2.987 -23.400 6.817 1.00 0.00 C ATOM 785 CG HIS A 51 4.280 -24.093 7.146 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.278 -23.484 7.891 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.754 -25.344 6.835 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.293 -24.361 8.002 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.026 -25.510 7.375 1.00 0.00 N ATOM 0 H HIS A 51 4.112 -20.933 6.455 1.00 0.00 H new ATOM 0 HA HIS A 51 3.396 -23.275 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.698 -22.740 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.188 -24.133 6.701 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.248 -22.543 8.283 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.221 -26.086 6.259 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.212 -24.160 8.533 1.00 0.00 H new ATOM 797 N ILE A 52 0.807 -22.572 4.904 1.00 0.00 N ATOM 798 CA ILE A 52 -0.481 -21.895 4.598 1.00 0.00 C ATOM 799 C ILE A 52 -1.171 -21.510 5.905 1.00 0.00 C ATOM 800 O ILE A 52 -1.404 -22.334 6.765 1.00 0.00 O ATOM 801 CB ILE A 52 -1.388 -22.834 3.806 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.694 -23.236 2.504 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.697 -22.110 3.487 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.657 -24.063 1.652 1.00 0.00 C ATOM 0 H ILE A 52 0.789 -23.590 4.851 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.285 -21.002 4.005 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.596 -23.729 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.378 -22.347 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.205 -23.813 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.351 -22.773 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.189 -21.821 4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.485 -21.219 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.165 -24.351 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.951 -24.958 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.543 -23.470 1.425 1.00 0.00 H new ATOM 816 N ARG A 53 -1.497 -20.261 6.054 1.00 0.00 N ATOM 817 CA ARG A 53 -2.172 -19.804 7.298 1.00 0.00 C ATOM 818 C ARG A 53 -3.657 -20.144 7.218 1.00 0.00 C ATOM 819 O ARG A 53 -4.247 -20.650 8.152 1.00 0.00 O ATOM 820 CB ARG A 53 -2.016 -18.291 7.424 1.00 0.00 C ATOM 821 CG ARG A 53 -2.618 -17.827 8.748 1.00 0.00 C ATOM 822 CD ARG A 53 -2.255 -16.361 8.988 1.00 0.00 C ATOM 823 NE ARG A 53 -2.861 -15.905 10.271 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.129 -15.282 11.153 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.278 -14.372 10.767 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.249 -15.568 12.421 1.00 0.00 N ATOM 0 H ARG A 53 -1.324 -19.531 5.363 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.725 -20.298 8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.962 -18.018 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.513 -17.793 6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.701 -17.946 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.244 -18.444 9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.172 -16.244 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.616 -15.746 8.164 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.848 -16.080 10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.185 -14.148 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.705 -13.884 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.915 -16.279 12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.676 -15.081 13.110 1.00 0.00 H new ATOM 840 N SER A 54 -4.261 -19.859 6.104 1.00 0.00 N ATOM 841 CA SER A 54 -5.710 -20.147 5.940 1.00 0.00 C ATOM 842 C SER A 54 -6.029 -20.281 4.451 1.00 0.00 C ATOM 843 O SER A 54 -5.438 -19.622 3.618 1.00 0.00 O ATOM 844 CB SER A 54 -6.522 -18.997 6.535 1.00 0.00 C ATOM 845 OG SER A 54 -6.575 -17.925 5.606 1.00 0.00 O ATOM 0 H SER A 54 -3.811 -19.435 5.293 1.00 0.00 H new ATOM 0 HA SER A 54 -5.964 -21.075 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.530 -19.335 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.068 -18.662 7.468 1.00 0.00 H new ATOM 0 HG SER A 54 -7.097 -17.188 5.986 1.00 0.00 H new ATOM 851 N THR A 55 -6.958 -21.128 4.106 1.00 0.00 N ATOM 852 CA THR A 55 -7.306 -21.297 2.669 1.00 0.00 C ATOM 853 C THR A 55 -7.914 -19.998 2.137 1.00 0.00 C ATOM 854 O THR A 55 -8.576 -19.272 2.852 1.00 0.00 O ATOM 855 CB THR A 55 -8.315 -22.438 2.517 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.599 -21.991 2.930 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.882 -23.622 3.382 1.00 0.00 C ATOM 0 H THR A 55 -7.489 -21.708 4.755 1.00 0.00 H new ATOM 0 HA THR A 55 -6.406 -21.535 2.102 1.00 0.00 H new ATOM 0 HB THR A 55 -8.357 -22.750 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.246 -22.720 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.601 -24.434 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.897 -23.964 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.839 -23.313 4.426 1.00 0.00 H new ATOM 865 N GLY A 56 -7.689 -19.698 0.888 1.00 0.00 N ATOM 866 CA GLY A 56 -8.248 -18.444 0.310 1.00 0.00 C ATOM 867 C GLY A 56 -7.285 -17.289 0.583 1.00 0.00 C ATOM 868 O GLY A 56 -6.393 -17.389 1.402 1.00 0.00 O ATOM 0 H GLY A 56 -7.142 -20.267 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.399 -18.561 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.223 -18.231 0.748 1.00 0.00 H new ATOM 872 N LYS A 57 -7.461 -16.194 -0.095 1.00 0.00 N ATOM 873 CA LYS A 57 -6.559 -15.027 0.123 1.00 0.00 C ATOM 874 C LYS A 57 -6.759 -14.490 1.541 1.00 0.00 C ATOM 875 O LYS A 57 -7.848 -14.524 2.079 1.00 0.00 O ATOM 876 CB LYS A 57 -6.891 -13.927 -0.887 1.00 0.00 C ATOM 877 CG LYS A 57 -6.569 -14.415 -2.300 1.00 0.00 C ATOM 878 CD LYS A 57 -6.529 -13.220 -3.254 1.00 0.00 C ATOM 879 CE LYS A 57 -6.404 -13.721 -4.693 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.737 -14.176 -5.179 1.00 0.00 N ATOM 0 H LYS A 57 -8.191 -16.053 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.523 -15.340 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.945 -13.659 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.318 -13.028 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.610 -14.933 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.321 -15.132 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.434 -12.622 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.687 -12.573 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.023 -12.926 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.688 -14.541 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.690 -14.356 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.007 -15.051 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.446 -13.439 -4.989 1.00 0.00 H new ATOM 894 N CYS A 58 -5.720 -13.995 2.152 1.00 0.00 N ATOM 895 CA CYS A 58 -5.857 -13.458 3.534 1.00 0.00 C ATOM 896 C CYS A 58 -6.528 -12.085 3.484 1.00 0.00 C ATOM 897 O CYS A 58 -6.434 -11.372 2.503 1.00 0.00 O ATOM 898 CB CYS A 58 -4.474 -13.326 4.174 1.00 0.00 C ATOM 899 SG CYS A 58 -4.427 -14.288 5.705 1.00 0.00 S ATOM 0 H CYS A 58 -4.782 -13.939 1.755 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.466 -14.140 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.707 -13.680 3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.256 -12.279 4.383 1.00 0.00 H new ATOM 904 N GLU A 59 -7.205 -11.709 4.532 1.00 0.00 N ATOM 905 CA GLU A 59 -7.883 -10.381 4.545 1.00 0.00 C ATOM 906 C GLU A 59 -7.073 -9.405 5.401 1.00 0.00 C ATOM 907 O GLU A 59 -7.124 -9.528 6.613 1.00 0.00 O ATOM 908 CB GLU A 59 -9.288 -10.529 5.133 1.00 0.00 C ATOM 909 CG GLU A 59 -10.136 -11.410 4.213 1.00 0.00 C ATOM 910 CD GLU A 59 -10.220 -10.766 2.828 1.00 0.00 C ATOM 911 OE1 GLU A 59 -9.939 -9.582 2.728 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.566 -11.466 1.890 1.00 0.00 O ATOM 913 OXT GLU A 59 -6.415 -8.552 4.828 1.00 0.00 O ATOM 0 H GLU A 59 -7.319 -12.263 5.381 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.955 -10.000 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.233 -10.971 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.752 -9.549 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.697 -12.405 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.136 -11.534 4.630 1.00 0.00 H new TER 920 GLU A 59