USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 389 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 28 SER OG : rot -39:sc= -4.69! USER MOD Set 1.2: A 57 THR OG1 : rot 103:sc= 0.0652 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -142:sc= 0.0163 (180deg=-0.066) USER MOD Set 2.2: A 67 ASN :FLIP amide:sc= -2.79 F(o=-3.9,f=-2.8) USER MOD Set 3.1: A 2 GLN : amide:sc= -0.47 X(o=-1.8,f=-1.3) USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 1 MET CE :methyl -120:sc= -1.04 (180deg=-1.89) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.969 (180deg=-1.55!) USER MOD Single : A 4 LYS NZ :NH3+ -129:sc=-0.00695 (180deg=-1.19) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.111 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 68:sc= 0.00241 USER MOD Single : A 13 ASN : amide:sc= -0.485 K(o=-0.49,f=-3!) USER MOD Single : A 14 SER OG : rot 93:sc= 1.38 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0115) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.92 F(o=-3.2!,f=-1.9) USER MOD Single : A 30 THR OG1 : rot -52:sc= 0.0421 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 60 CYS SG : rot -98:sc= -3.19! USER MOD Single : A 62 THR OG1 : rot 67:sc= 0.347 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -5.49! C(o=-5.5!,f=-12!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.65! C(o=-2.3!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.302 12.265 -0.190 1.00 0.00 N ATOM 2 CA MET A 1 9.465 11.313 0.596 1.00 0.00 C ATOM 3 C MET A 1 10.033 9.901 0.464 1.00 0.00 C ATOM 4 O MET A 1 10.981 9.663 -0.260 1.00 0.00 O ATOM 5 CB MET A 1 8.032 11.324 0.058 1.00 0.00 C ATOM 6 CG MET A 1 8.061 11.160 -1.459 1.00 0.00 C ATOM 7 SD MET A 1 8.366 12.767 -2.236 1.00 0.00 S ATOM 8 CE MET A 1 9.471 12.179 -3.542 1.00 0.00 C ATOM 0 H1 MET A 1 10.802 12.906 0.459 1.00 0.00 H new ATOM 0 H2 MET A 1 10.996 11.733 -0.754 1.00 0.00 H new ATOM 0 H3 MET A 1 9.693 12.821 -0.824 1.00 0.00 H new ATOM 0 HA MET A 1 9.468 11.616 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.455 10.518 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.538 12.258 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.840 10.453 -1.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.114 10.749 -1.809 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.441 12.667 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.597 11.100 -3.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.042 12.415 -4.516 1.00 0.00 H new ATOM 20 N GLN A 2 9.443 8.961 1.147 1.00 0.00 N ATOM 21 CA GLN A 2 9.918 7.556 1.064 1.00 0.00 C ATOM 22 C GLN A 2 8.771 6.624 1.441 1.00 0.00 C ATOM 23 O GLN A 2 8.268 6.658 2.546 1.00 0.00 O ATOM 24 CB GLN A 2 11.090 7.334 2.024 1.00 0.00 C ATOM 25 CG GLN A 2 12.301 8.141 1.561 1.00 0.00 C ATOM 26 CD GLN A 2 13.425 8.003 2.589 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.113 8.958 2.888 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.639 6.843 3.149 1.00 0.00 N ATOM 0 H GLN A 2 8.645 9.109 1.764 1.00 0.00 H new ATOM 0 HA GLN A 2 10.253 7.349 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.807 7.633 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.342 6.274 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.638 7.786 0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.029 9.190 1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.061 6.041 2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.384 6.739 3.838 1.00 0.00 H new ATOM 37 N CYS A 3 8.346 5.798 0.531 1.00 0.00 N ATOM 38 CA CYS A 3 7.221 4.876 0.843 1.00 0.00 C ATOM 39 C CYS A 3 7.381 3.575 0.051 1.00 0.00 C ATOM 40 O CYS A 3 7.330 3.566 -1.163 1.00 0.00 O ATOM 41 CB CYS A 3 5.903 5.555 0.468 1.00 0.00 C ATOM 42 SG CYS A 3 5.859 7.202 1.206 1.00 0.00 S ATOM 0 H CYS A 3 8.726 5.720 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 3 7.222 4.641 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.811 5.626 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.060 4.961 0.821 1.00 0.00 H new ATOM 47 N LYS A 4 7.576 2.476 0.731 1.00 0.00 N ATOM 48 CA LYS A 4 7.741 1.175 0.017 1.00 0.00 C ATOM 49 C LYS A 4 6.605 1.002 -0.991 1.00 0.00 C ATOM 50 O LYS A 4 5.586 1.657 -0.909 1.00 0.00 O ATOM 51 CB LYS A 4 7.711 0.020 1.022 1.00 0.00 C ATOM 52 CG LYS A 4 6.708 0.322 2.139 1.00 0.00 C ATOM 53 CD LYS A 4 5.391 0.808 1.534 1.00 0.00 C ATOM 54 CE LYS A 4 4.291 0.754 2.595 1.00 0.00 C ATOM 55 NZ LYS A 4 3.042 1.357 2.049 1.00 0.00 N ATOM 0 H LYS A 4 7.628 2.423 1.748 1.00 0.00 H new ATOM 0 HA LYS A 4 8.699 1.171 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.436 -0.906 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.704 -0.130 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.536 -0.573 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.113 1.081 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.503 1.827 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.119 0.186 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.109 -0.279 2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.607 1.292 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.680 2.069 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.246 1.810 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.327 0.613 1.915 1.00 0.00 H new ATOM 69 N THR A 5 6.771 0.125 -1.944 1.00 0.00 N ATOM 70 CA THR A 5 5.696 -0.080 -2.954 1.00 0.00 C ATOM 71 C THR A 5 5.860 -1.446 -3.626 1.00 0.00 C ATOM 72 O THR A 5 5.821 -1.560 -4.835 1.00 0.00 O ATOM 73 CB THR A 5 5.787 1.020 -4.010 1.00 0.00 C ATOM 74 OG1 THR A 5 7.104 1.055 -4.543 1.00 0.00 O ATOM 75 CG2 THR A 5 5.455 2.365 -3.367 1.00 0.00 C ATOM 0 H THR A 5 7.601 -0.455 -2.066 1.00 0.00 H new ATOM 0 HA THR A 5 4.725 -0.042 -2.460 1.00 0.00 H new ATOM 0 HB THR A 5 5.079 0.818 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.164 1.759 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.519 3.153 -4.118 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.445 2.334 -2.959 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.164 2.570 -2.565 1.00 0.00 H new ATOM 83 N CYS A 6 6.034 -2.482 -2.855 1.00 0.00 N ATOM 84 CA CYS A 6 6.188 -3.835 -3.457 1.00 0.00 C ATOM 85 C CYS A 6 4.802 -4.484 -3.581 1.00 0.00 C ATOM 86 O CYS A 6 3.877 -3.884 -4.091 1.00 0.00 O ATOM 87 CB CYS A 6 7.097 -4.688 -2.569 1.00 0.00 C ATOM 88 SG CYS A 6 8.698 -3.868 -2.376 1.00 0.00 S ATOM 0 H CYS A 6 6.076 -2.451 -1.836 1.00 0.00 H new ATOM 0 HA CYS A 6 6.639 -3.757 -4.446 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.634 -4.837 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.233 -5.675 -3.012 1.00 0.00 H new ATOM 93 N SER A 7 4.640 -5.697 -3.119 1.00 0.00 N ATOM 94 CA SER A 7 3.307 -6.354 -3.221 1.00 0.00 C ATOM 95 C SER A 7 3.102 -7.281 -2.022 1.00 0.00 C ATOM 96 O SER A 7 2.251 -8.148 -2.033 1.00 0.00 O ATOM 97 CB SER A 7 3.235 -7.167 -4.512 1.00 0.00 C ATOM 98 OG SER A 7 4.073 -6.568 -5.491 1.00 0.00 O ATOM 0 H SER A 7 5.370 -6.257 -2.678 1.00 0.00 H new ATOM 0 HA SER A 7 2.527 -5.592 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.549 -8.194 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.207 -7.208 -4.872 1.00 0.00 H new ATOM 0 HG SER A 7 4.030 -7.088 -6.321 1.00 0.00 H new ATOM 104 N PHE A 8 3.872 -7.101 -0.984 1.00 0.00 N ATOM 105 CA PHE A 8 3.717 -7.968 0.215 1.00 0.00 C ATOM 106 C PHE A 8 3.371 -7.098 1.425 1.00 0.00 C ATOM 107 O PHE A 8 3.611 -5.907 1.434 1.00 0.00 O ATOM 108 CB PHE A 8 5.025 -8.719 0.478 1.00 0.00 C ATOM 109 CG PHE A 8 5.315 -9.650 -0.676 1.00 0.00 C ATOM 110 CD1 PHE A 8 4.269 -10.344 -1.298 1.00 0.00 C ATOM 111 CD2 PHE A 8 6.631 -9.819 -1.125 1.00 0.00 C ATOM 112 CE1 PHE A 8 4.539 -11.205 -2.368 1.00 0.00 C ATOM 113 CE2 PHE A 8 6.900 -10.681 -2.196 1.00 0.00 C ATOM 114 CZ PHE A 8 5.854 -11.374 -2.816 1.00 0.00 C ATOM 0 H PHE A 8 4.601 -6.391 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 8 2.918 -8.689 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.844 -8.011 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.951 -9.286 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.254 -10.215 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.438 -9.285 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.732 -11.739 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.914 -10.811 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.062 -12.040 -3.641 1.00 0.00 H new ATOM 124 N TYR A 9 2.809 -7.681 2.448 1.00 0.00 N ATOM 125 CA TYR A 9 2.447 -6.886 3.655 1.00 0.00 C ATOM 126 C TYR A 9 3.709 -6.242 4.235 1.00 0.00 C ATOM 127 O TYR A 9 3.642 -5.341 5.047 1.00 0.00 O ATOM 128 CB TYR A 9 1.812 -7.806 4.700 1.00 0.00 C ATOM 129 CG TYR A 9 1.714 -7.081 6.019 1.00 0.00 C ATOM 130 CD1 TYR A 9 0.742 -6.090 6.201 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.594 -7.398 7.061 1.00 0.00 C ATOM 132 CE1 TYR A 9 0.649 -5.416 7.425 1.00 0.00 C ATOM 133 CE2 TYR A 9 2.501 -6.725 8.285 1.00 0.00 C ATOM 134 CZ TYR A 9 1.529 -5.733 8.467 1.00 0.00 C ATOM 135 OH TYR A 9 1.438 -5.070 9.673 1.00 0.00 O ATOM 0 H TYR A 9 2.585 -8.675 2.500 1.00 0.00 H new ATOM 0 HA TYR A 9 1.736 -6.107 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.821 -8.118 4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.409 -8.711 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.064 -5.845 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.345 -8.162 6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.101 -4.652 7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.179 -6.971 9.089 1.00 0.00 H new ATOM 0 HH TYR A 9 2.121 -5.412 10.287 1.00 0.00 H new ATOM 145 N THR A 10 4.860 -6.697 3.823 1.00 0.00 N ATOM 146 CA THR A 10 6.127 -6.112 4.345 1.00 0.00 C ATOM 147 C THR A 10 7.227 -6.287 3.297 1.00 0.00 C ATOM 148 O THR A 10 7.588 -7.392 2.942 1.00 0.00 O ATOM 149 CB THR A 10 6.533 -6.831 5.633 1.00 0.00 C ATOM 150 OG1 THR A 10 7.945 -6.768 5.783 1.00 0.00 O ATOM 151 CG2 THR A 10 6.090 -8.293 5.565 1.00 0.00 C ATOM 0 H THR A 10 4.978 -7.451 3.146 1.00 0.00 H new ATOM 0 HA THR A 10 5.981 -5.052 4.555 1.00 0.00 H new ATOM 0 HB THR A 10 6.054 -6.349 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.214 -5.842 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.380 -8.804 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.007 -8.340 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.567 -8.778 4.714 1.00 0.00 H new ATOM 159 N CYS A 11 7.758 -5.209 2.792 1.00 0.00 N ATOM 160 CA CYS A 11 8.825 -5.322 1.762 1.00 0.00 C ATOM 161 C CYS A 11 9.952 -4.336 2.076 1.00 0.00 C ATOM 162 O CYS A 11 9.825 -3.156 1.816 1.00 0.00 O ATOM 163 CB CYS A 11 8.235 -4.993 0.392 1.00 0.00 C ATOM 164 SG CYS A 11 9.564 -4.838 -0.829 1.00 0.00 S ATOM 0 H CYS A 11 7.499 -4.256 3.048 1.00 0.00 H new ATOM 0 HA CYS A 11 9.223 -6.337 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.539 -5.775 0.088 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.667 -4.064 0.444 1.00 0.00 H new ATOM 169 N PRO A 12 11.027 -4.847 2.615 1.00 0.00 N ATOM 170 CA PRO A 12 12.194 -4.026 2.959 1.00 0.00 C ATOM 171 C PRO A 12 12.998 -3.722 1.693 1.00 0.00 C ATOM 172 O PRO A 12 13.867 -2.874 1.681 1.00 0.00 O ATOM 173 CB PRO A 12 12.988 -4.910 3.923 1.00 0.00 C ATOM 174 CG PRO A 12 12.547 -6.366 3.641 1.00 0.00 C ATOM 175 CD PRO A 12 11.181 -6.280 2.932 1.00 0.00 C ATOM 0 HA PRO A 12 11.938 -3.063 3.402 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.060 -4.791 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.785 -4.636 4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.278 -6.878 3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.468 -6.934 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.161 -6.892 2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.375 -6.634 3.575 1.00 0.00 H new ATOM 183 N ASN A 13 12.703 -4.412 0.625 1.00 0.00 N ATOM 184 CA ASN A 13 13.436 -4.168 -0.649 1.00 0.00 C ATOM 185 C ASN A 13 13.235 -2.711 -1.073 1.00 0.00 C ATOM 186 O ASN A 13 14.147 -1.911 -1.029 1.00 0.00 O ATOM 187 CB ASN A 13 12.888 -5.094 -1.738 1.00 0.00 C ATOM 188 CG ASN A 13 14.014 -5.977 -2.277 1.00 0.00 C ATOM 189 OD1 ASN A 13 15.045 -6.120 -1.650 1.00 0.00 O ATOM 190 ND2 ASN A 13 13.861 -6.577 -3.427 1.00 0.00 N ATOM 0 H ASN A 13 11.985 -5.135 0.580 1.00 0.00 H new ATOM 0 HA ASN A 13 14.498 -4.366 -0.505 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.088 -5.714 -1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.456 -4.505 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.607 -7.165 -3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.996 -6.457 -3.954 1.00 0.00 H new ATOM 197 N SER A 14 12.044 -2.360 -1.477 1.00 0.00 N ATOM 198 CA SER A 14 11.785 -0.953 -1.895 1.00 0.00 C ATOM 199 C SER A 14 11.795 -0.052 -0.665 1.00 0.00 C ATOM 200 O SER A 14 11.728 -0.517 0.455 1.00 0.00 O ATOM 201 CB SER A 14 10.417 -0.853 -2.563 1.00 0.00 C ATOM 202 OG SER A 14 10.340 -1.795 -3.625 1.00 0.00 O ATOM 0 H SER A 14 11.241 -2.986 -1.535 1.00 0.00 H new ATOM 0 HA SER A 14 12.559 -0.642 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.629 -1.045 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.259 0.156 -2.945 1.00 0.00 H new ATOM 0 HG SER A 14 9.946 -2.629 -3.294 1.00 0.00 H new ATOM 208 N GLU A 15 11.868 1.233 -0.859 1.00 0.00 N ATOM 209 CA GLU A 15 11.872 2.148 0.312 1.00 0.00 C ATOM 210 C GLU A 15 11.487 3.565 -0.123 1.00 0.00 C ATOM 211 O GLU A 15 10.326 3.923 -0.161 1.00 0.00 O ATOM 212 CB GLU A 15 13.265 2.168 0.951 1.00 0.00 C ATOM 213 CG GLU A 15 14.325 1.856 -0.110 1.00 0.00 C ATOM 214 CD GLU A 15 15.699 2.301 0.393 1.00 0.00 C ATOM 215 OE1 GLU A 15 15.753 3.257 1.150 1.00 0.00 O ATOM 216 OE2 GLU A 15 16.678 1.678 0.012 1.00 0.00 O ATOM 0 H GLU A 15 11.925 1.687 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 15 11.144 1.789 1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.458 3.145 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.317 1.436 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.334 0.788 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.084 2.368 -1.041 1.00 0.00 H new ATOM 223 N THR A 16 12.459 4.377 -0.432 1.00 0.00 N ATOM 224 CA THR A 16 12.173 5.779 -0.842 1.00 0.00 C ATOM 225 C THR A 16 11.271 5.813 -2.081 1.00 0.00 C ATOM 226 O THR A 16 11.189 4.865 -2.838 1.00 0.00 O ATOM 227 CB THR A 16 13.492 6.484 -1.164 1.00 0.00 C ATOM 228 OG1 THR A 16 14.277 6.578 0.017 1.00 0.00 O ATOM 229 CG2 THR A 16 13.209 7.886 -1.707 1.00 0.00 C ATOM 0 H THR A 16 13.448 4.127 -0.418 1.00 0.00 H new ATOM 0 HA THR A 16 11.660 6.284 -0.024 1.00 0.00 H new ATOM 0 HB THR A 16 14.035 5.912 -1.917 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.123 7.028 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.151 8.385 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.609 7.811 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.665 8.463 -0.959 1.00 0.00 H new ATOM 237 N CYS A 17 10.608 6.920 -2.294 1.00 0.00 N ATOM 238 CA CYS A 17 9.718 7.070 -3.480 1.00 0.00 C ATOM 239 C CYS A 17 10.506 7.802 -4.566 1.00 0.00 C ATOM 240 O CYS A 17 11.558 8.347 -4.296 1.00 0.00 O ATOM 241 CB CYS A 17 8.483 7.893 -3.076 1.00 0.00 C ATOM 242 SG CYS A 17 7.272 6.827 -2.244 1.00 0.00 S ATOM 0 H CYS A 17 10.647 7.738 -1.686 1.00 0.00 H new ATOM 0 HA CYS A 17 9.389 6.099 -3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.779 8.707 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.034 8.347 -3.959 1.00 0.00 H new ATOM 247 N PRO A 18 9.989 7.792 -5.762 1.00 0.00 N ATOM 248 CA PRO A 18 10.652 8.453 -6.897 1.00 0.00 C ATOM 249 C PRO A 18 10.609 9.977 -6.737 1.00 0.00 C ATOM 250 O PRO A 18 10.006 10.496 -5.819 1.00 0.00 O ATOM 251 CB PRO A 18 9.858 7.964 -8.112 1.00 0.00 C ATOM 252 CG PRO A 18 8.488 7.492 -7.580 1.00 0.00 C ATOM 253 CD PRO A 18 8.703 7.141 -6.099 1.00 0.00 C ATOM 0 HA PRO A 18 11.712 8.213 -6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.736 8.763 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.380 7.150 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.737 8.274 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.131 6.626 -8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.890 7.516 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.749 6.063 -5.947 1.00 0.00 H new ATOM 261 N ASP A 19 11.274 10.695 -7.606 1.00 0.00 N ATOM 262 CA ASP A 19 11.302 12.184 -7.492 1.00 0.00 C ATOM 263 C ASP A 19 10.053 12.796 -8.123 1.00 0.00 C ATOM 264 O ASP A 19 10.122 13.772 -8.844 1.00 0.00 O ATOM 265 CB ASP A 19 12.532 12.720 -8.213 1.00 0.00 C ATOM 266 CG ASP A 19 13.788 12.377 -7.411 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.647 11.997 -6.260 1.00 0.00 O ATOM 268 OD2 ASP A 19 14.870 12.501 -7.960 1.00 0.00 O ATOM 0 H ASP A 19 11.800 10.313 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 19 11.334 12.452 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 19 12.597 12.288 -9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.451 13.800 -8.337 1.00 0.00 H new ATOM 273 N GLY A 20 8.915 12.237 -7.854 1.00 0.00 N ATOM 274 CA GLY A 20 7.655 12.786 -8.428 1.00 0.00 C ATOM 275 C GLY A 20 6.484 12.471 -7.496 1.00 0.00 C ATOM 276 O GLY A 20 5.539 13.227 -7.397 1.00 0.00 O ATOM 0 H GLY A 20 8.797 11.418 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.745 13.864 -8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.475 12.355 -9.413 1.00 0.00 H new ATOM 280 N LYS A 21 6.527 11.357 -6.820 1.00 0.00 N ATOM 281 CA LYS A 21 5.411 11.001 -5.911 1.00 0.00 C ATOM 282 C LYS A 21 5.534 11.761 -4.609 1.00 0.00 C ATOM 283 O LYS A 21 6.337 12.661 -4.469 1.00 0.00 O ATOM 284 CB LYS A 21 5.438 9.504 -5.609 1.00 0.00 C ATOM 285 CG LYS A 21 4.756 8.692 -6.715 1.00 0.00 C ATOM 286 CD LYS A 21 3.573 9.453 -7.322 1.00 0.00 C ATOM 287 CE LYS A 21 3.055 8.701 -8.549 1.00 0.00 C ATOM 288 NZ LYS A 21 1.581 8.893 -8.665 1.00 0.00 N ATOM 0 H LYS A 21 7.289 10.680 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 21 4.473 11.263 -6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.471 9.173 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.939 9.315 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.480 8.460 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.409 7.742 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.777 9.557 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.881 10.460 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.552 9.065 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.289 7.640 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.239 8.439 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.109 8.465 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.365 9.910 -8.697 1.00 0.00 H new ATOM 302 N ASN A 22 4.720 11.418 -3.654 1.00 0.00 N ATOM 303 CA ASN A 22 4.787 12.164 -2.361 1.00 0.00 C ATOM 304 C ASN A 22 4.174 11.399 -1.183 1.00 0.00 C ATOM 305 O ASN A 22 4.069 11.944 -0.103 1.00 0.00 O ATOM 306 CB ASN A 22 4.023 13.478 -2.518 1.00 0.00 C ATOM 307 CG ASN A 22 4.997 14.588 -2.923 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.236 14.792 -4.192 1.00 0.00 O flip ATOM 309 ND2 ASN A 22 5.543 15.273 -2.082 1.00 0.00 N flip ATOM 0 H ASN A 22 4.025 10.673 -3.704 1.00 0.00 H new ATOM 0 HA ASN A 22 5.843 12.319 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.243 13.370 -3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.528 13.737 -1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.355 15.112 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.190 16.009 -2.365 1.00 0.00 H new ATOM 316 N ILE A 23 3.746 10.176 -1.331 1.00 0.00 N ATOM 317 CA ILE A 23 3.143 9.522 -0.134 1.00 0.00 C ATOM 318 C ILE A 23 3.335 8.007 -0.127 1.00 0.00 C ATOM 319 O ILE A 23 3.783 7.397 -1.078 1.00 0.00 O ATOM 320 CB ILE A 23 1.642 9.846 -0.096 1.00 0.00 C ATOM 321 CG1 ILE A 23 1.299 10.540 1.209 1.00 0.00 C ATOM 322 CG2 ILE A 23 0.792 8.568 -0.193 1.00 0.00 C ATOM 323 CD1 ILE A 23 -0.189 10.881 1.184 1.00 0.00 C ATOM 0 H ILE A 23 3.783 9.621 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 23 3.652 9.912 0.747 1.00 0.00 H new ATOM 0 HB ILE A 23 1.423 10.490 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.528 9.893 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.895 11.445 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.265 8.831 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.012 8.055 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.026 7.911 0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.463 11.382 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.397 11.540 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.771 9.965 1.081 1.00 0.00 H new ATOM 335 N CYS A 24 2.931 7.423 0.970 1.00 0.00 N ATOM 336 CA CYS A 24 2.994 5.957 1.151 1.00 0.00 C ATOM 337 C CYS A 24 1.564 5.433 1.136 1.00 0.00 C ATOM 338 O CYS A 24 0.884 5.445 2.141 1.00 0.00 O ATOM 339 CB CYS A 24 3.622 5.646 2.513 1.00 0.00 C ATOM 340 SG CYS A 24 4.862 6.902 2.934 1.00 0.00 S ATOM 0 H CYS A 24 2.548 7.926 1.770 1.00 0.00 H new ATOM 0 HA CYS A 24 3.589 5.494 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.848 5.617 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.086 4.660 2.491 1.00 0.00 H new ATOM 345 N VAL A 25 1.087 5.008 0.005 1.00 0.00 N ATOM 346 CA VAL A 25 -0.316 4.528 -0.066 1.00 0.00 C ATOM 347 C VAL A 25 -0.394 3.014 0.141 1.00 0.00 C ATOM 348 O VAL A 25 0.242 2.239 -0.543 1.00 0.00 O ATOM 349 CB VAL A 25 -0.892 4.912 -1.426 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.462 6.340 -1.755 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.370 3.960 -2.505 1.00 0.00 C ATOM 0 H VAL A 25 1.606 4.972 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.897 4.994 0.730 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.979 4.845 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.867 6.628 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.838 7.019 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.626 6.394 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.787 4.242 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.718 4.019 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.669 2.939 -2.265 1.00 0.00 H new ATOM 361 N LYS A 26 -1.188 2.594 1.085 1.00 0.00 N ATOM 362 CA LYS A 26 -1.340 1.139 1.347 1.00 0.00 C ATOM 363 C LYS A 26 -2.831 0.808 1.380 1.00 0.00 C ATOM 364 O LYS A 26 -3.564 1.282 2.226 1.00 0.00 O ATOM 365 CB LYS A 26 -0.703 0.783 2.693 1.00 0.00 C ATOM 366 CG LYS A 26 -0.927 -0.701 2.984 1.00 0.00 C ATOM 367 CD LYS A 26 -0.302 -1.057 4.332 1.00 0.00 C ATOM 368 CE LYS A 26 0.892 -1.985 4.111 1.00 0.00 C ATOM 369 NZ LYS A 26 0.904 -3.038 5.165 1.00 0.00 N ATOM 0 H LYS A 26 -1.741 3.201 1.690 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.845 0.566 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.364 1.004 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.139 1.390 3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.994 -0.923 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.484 -1.308 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.018 -0.151 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.040 -1.542 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.832 -2.444 3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.820 -1.414 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.885 -3.233 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.363 -2.709 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.472 -3.907 4.792 1.00 0.00 H new ATOM 383 N ARG A 27 -3.291 0.008 0.460 1.00 0.00 N ATOM 384 CA ARG A 27 -4.741 -0.339 0.434 1.00 0.00 C ATOM 385 C ARG A 27 -4.933 -1.759 0.960 1.00 0.00 C ATOM 386 O ARG A 27 -3.990 -2.509 1.107 1.00 0.00 O ATOM 387 CB ARG A 27 -5.268 -0.256 -1.001 1.00 0.00 C ATOM 388 CG ARG A 27 -4.272 -0.903 -1.964 1.00 0.00 C ATOM 389 CD ARG A 27 -3.571 0.184 -2.779 1.00 0.00 C ATOM 390 NE ARG A 27 -3.578 -0.198 -4.219 1.00 0.00 N ATOM 391 CZ ARG A 27 -4.006 0.646 -5.117 1.00 0.00 C ATOM 392 NH1 ARG A 27 -5.217 1.125 -5.038 1.00 0.00 N ATOM 393 NH2 ARG A 27 -3.221 1.012 -6.094 1.00 0.00 N ATOM 0 H ARG A 27 -2.728 -0.421 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.289 0.363 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.233 -0.758 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.429 0.786 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.538 -1.486 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.790 -1.594 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.076 1.140 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.546 0.312 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.248 -1.120 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.829 0.840 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.551 1.785 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.274 0.638 -6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.555 1.672 -6.797 1.00 0.00 H new ATOM 407 N SER A 28 -6.149 -2.136 1.247 1.00 0.00 N ATOM 408 CA SER A 28 -6.386 -3.509 1.764 1.00 0.00 C ATOM 409 C SER A 28 -7.855 -3.898 1.572 1.00 0.00 C ATOM 410 O SER A 28 -8.755 -3.268 2.096 1.00 0.00 O ATOM 411 CB SER A 28 -6.027 -3.554 3.252 1.00 0.00 C ATOM 412 OG SER A 28 -7.062 -4.210 3.974 1.00 0.00 O ATOM 0 H SER A 28 -6.982 -1.556 1.146 1.00 0.00 H new ATOM 0 HA SER A 28 -5.763 -4.215 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.083 -4.080 3.393 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.889 -2.542 3.634 1.00 0.00 H new ATOM 0 HG SER A 28 -7.933 -3.946 3.610 1.00 0.00 H new ATOM 418 N TRP A 29 -8.098 -4.948 0.832 1.00 0.00 N ATOM 419 CA TRP A 29 -9.497 -5.408 0.619 1.00 0.00 C ATOM 420 C TRP A 29 -9.528 -6.930 0.686 1.00 0.00 C ATOM 421 O TRP A 29 -8.506 -7.581 0.650 1.00 0.00 O ATOM 422 CB TRP A 29 -10.041 -4.935 -0.728 1.00 0.00 C ATOM 423 CG TRP A 29 -9.123 -5.317 -1.844 1.00 0.00 C ATOM 424 CD1 TRP A 29 -9.451 -6.170 -2.830 1.00 0.00 C ATOM 425 CD2 TRP A 29 -7.762 -4.872 -2.124 1.00 0.00 C ATOM 426 NE1 TRP A 29 -8.388 -6.283 -3.703 1.00 0.00 N ATOM 427 CE2 TRP A 29 -7.321 -5.505 -3.310 1.00 0.00 C ATOM 428 CE3 TRP A 29 -6.876 -3.996 -1.474 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -6.051 -5.276 -3.834 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -5.593 -3.763 -2.000 1.00 0.00 C ATOM 431 CH2 TRP A 29 -5.183 -4.402 -3.178 1.00 0.00 C ATOM 0 H TRP A 29 -7.384 -5.507 0.366 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.129 -4.982 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.026 -5.369 -0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.168 -3.853 -0.712 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.396 -6.685 -2.924 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.392 -6.870 -4.537 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.182 -3.499 -0.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.740 -5.771 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.920 -3.088 -1.493 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.197 -4.218 -3.578 1.00 0.00 H new ATOM 442 N THR A 30 -10.691 -7.496 0.813 1.00 0.00 N ATOM 443 CA THR A 30 -10.793 -8.974 0.924 1.00 0.00 C ATOM 444 C THR A 30 -11.479 -9.567 -0.305 1.00 0.00 C ATOM 445 O THR A 30 -12.049 -10.638 -0.258 1.00 0.00 O ATOM 446 CB THR A 30 -11.602 -9.293 2.173 1.00 0.00 C ATOM 447 OG1 THR A 30 -11.311 -10.613 2.608 1.00 0.00 O ATOM 448 CG2 THR A 30 -13.096 -9.161 1.874 1.00 0.00 C ATOM 0 H THR A 30 -11.580 -6.997 0.845 1.00 0.00 H new ATOM 0 HA THR A 30 -9.795 -9.408 0.988 1.00 0.00 H new ATOM 0 HB THR A 30 -11.335 -8.589 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.422 -11.236 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.669 -9.391 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.315 -8.142 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.371 -9.856 1.081 1.00 0.00 H new ATOM 568 N ARG A 39 -6.997 -10.562 2.908 1.00 0.00 N ATOM 569 CA ARG A 39 -7.129 -9.129 2.539 1.00 0.00 C ATOM 570 C ARG A 39 -6.066 -8.763 1.504 1.00 0.00 C ATOM 571 O ARG A 39 -4.983 -8.326 1.838 1.00 0.00 O ATOM 572 CB ARG A 39 -6.948 -8.259 3.782 1.00 0.00 C ATOM 573 CG ARG A 39 -7.865 -7.040 3.681 1.00 0.00 C ATOM 574 CD ARG A 39 -8.427 -6.704 5.063 1.00 0.00 C ATOM 575 NE ARG A 39 -7.327 -6.729 6.068 1.00 0.00 N ATOM 576 CZ ARG A 39 -6.583 -5.672 6.248 1.00 0.00 C ATOM 577 NH1 ARG A 39 -7.110 -4.573 6.712 1.00 0.00 N ATOM 578 NH2 ARG A 39 -5.311 -5.715 5.960 1.00 0.00 N ATOM 0 HA ARG A 39 -8.119 -8.958 2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.183 -8.832 4.679 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.909 -7.941 3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.312 -6.188 3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.680 -7.242 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.896 -5.720 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.200 -7.422 5.337 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.156 -7.572 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.105 -4.539 6.935 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.527 -3.748 6.852 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.900 -6.574 5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.728 -4.890 6.100 1.00 0.00 H new ATOM 592 N GLU A 40 -6.369 -8.936 0.249 1.00 0.00 N ATOM 593 CA GLU A 40 -5.374 -8.593 -0.809 1.00 0.00 C ATOM 594 C GLU A 40 -5.013 -7.111 -0.689 1.00 0.00 C ATOM 595 O GLU A 40 -5.787 -6.248 -1.041 1.00 0.00 O ATOM 596 CB GLU A 40 -5.957 -8.866 -2.206 1.00 0.00 C ATOM 597 CG GLU A 40 -7.484 -8.750 -2.187 1.00 0.00 C ATOM 598 CD GLU A 40 -8.099 -10.146 -2.090 1.00 0.00 C ATOM 599 OE1 GLU A 40 -8.027 -10.872 -3.069 1.00 0.00 O ATOM 600 OE2 GLU A 40 -8.634 -10.467 -1.041 1.00 0.00 O ATOM 0 H GLU A 40 -7.259 -9.299 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.485 -9.209 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.542 -8.158 -2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.667 -9.863 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.803 -8.141 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.833 -8.249 -3.090 1.00 0.00 H new ATOM 607 N ILE A 41 -3.846 -6.809 -0.181 1.00 0.00 N ATOM 608 CA ILE A 41 -3.444 -5.380 -0.026 1.00 0.00 C ATOM 609 C ILE A 41 -2.484 -4.975 -1.152 1.00 0.00 C ATOM 610 O ILE A 41 -2.261 -5.717 -2.088 1.00 0.00 O ATOM 611 CB ILE A 41 -2.751 -5.194 1.323 1.00 0.00 C ATOM 612 CG1 ILE A 41 -1.454 -6.007 1.343 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.676 -5.681 2.440 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.268 -5.069 1.572 1.00 0.00 C ATOM 0 H ILE A 41 -3.155 -7.490 0.133 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.334 -4.752 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.522 -4.139 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.495 -6.758 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.332 -6.541 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.184 -5.549 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.601 -5.105 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.903 -6.736 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.656 -5.647 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.224 -4.335 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.389 -4.555 2.526 1.00 0.00 H new ATOM 626 N ARG A 42 -1.919 -3.796 -1.069 1.00 0.00 N ATOM 627 CA ARG A 42 -0.983 -3.335 -2.136 1.00 0.00 C ATOM 628 C ARG A 42 -0.371 -1.985 -1.738 1.00 0.00 C ATOM 629 O ARG A 42 -0.913 -1.270 -0.918 1.00 0.00 O ATOM 630 CB ARG A 42 -1.763 -3.185 -3.443 1.00 0.00 C ATOM 631 CG ARG A 42 -0.792 -3.023 -4.611 1.00 0.00 C ATOM 632 CD ARG A 42 -1.054 -4.117 -5.647 1.00 0.00 C ATOM 633 NE ARG A 42 -2.523 -4.269 -5.853 1.00 0.00 N ATOM 634 CZ ARG A 42 -3.098 -3.718 -6.887 1.00 0.00 C ATOM 635 NH1 ARG A 42 -3.211 -2.419 -6.956 1.00 0.00 N ATOM 636 NH2 ARG A 42 -3.560 -4.466 -7.851 1.00 0.00 N ATOM 0 H ARG A 42 -2.067 -3.134 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.181 -4.061 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.395 -4.059 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.424 -2.320 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.914 -2.040 -5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.236 -3.084 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.569 -3.863 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.624 -5.061 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.079 -4.804 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.850 -1.835 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.660 -1.988 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.472 -5.481 -7.796 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.010 -4.036 -8.659 1.00 0.00 H new ATOM 650 N ARG A 43 0.754 -1.628 -2.307 1.00 0.00 N ATOM 651 CA ARG A 43 1.389 -0.322 -1.946 1.00 0.00 C ATOM 652 C ARG A 43 1.948 0.363 -3.198 1.00 0.00 C ATOM 653 O ARG A 43 2.258 -0.272 -4.185 1.00 0.00 O ATOM 654 CB ARG A 43 2.525 -0.558 -0.944 1.00 0.00 C ATOM 655 CG ARG A 43 3.154 -1.934 -1.180 1.00 0.00 C ATOM 656 CD ARG A 43 2.712 -2.889 -0.071 1.00 0.00 C ATOM 657 NE ARG A 43 3.342 -2.479 1.216 1.00 0.00 N ATOM 658 CZ ARG A 43 4.301 -3.196 1.733 1.00 0.00 C ATOM 659 NH1 ARG A 43 5.477 -3.218 1.167 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.085 -3.892 2.813 1.00 0.00 N ATOM 0 H ARG A 43 1.258 -2.180 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 43 0.633 0.322 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.281 0.220 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.142 -0.494 0.074 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.852 -2.323 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.241 -1.852 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.626 -2.877 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.999 -3.911 -0.320 1.00 0.00 H new ATOM 0 HE ARG A 43 3.023 -1.636 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.646 -2.674 0.321 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.227 -3.779 1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.166 -3.876 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.835 -4.453 3.217 1.00 0.00 H new ATOM 674 N GLU A 44 2.076 1.664 -3.150 1.00 0.00 N ATOM 675 CA GLU A 44 2.613 2.427 -4.315 1.00 0.00 C ATOM 676 C GLU A 44 2.807 3.890 -3.899 1.00 0.00 C ATOM 677 O GLU A 44 2.135 4.382 -3.017 1.00 0.00 O ATOM 678 CB GLU A 44 1.621 2.358 -5.479 1.00 0.00 C ATOM 679 CG GLU A 44 1.902 1.109 -6.316 1.00 0.00 C ATOM 680 CD GLU A 44 1.943 1.480 -7.799 1.00 0.00 C ATOM 681 OE1 GLU A 44 1.150 2.314 -8.204 1.00 0.00 O ATOM 682 OE2 GLU A 44 2.767 0.922 -8.506 1.00 0.00 O ATOM 0 H GLU A 44 1.828 2.236 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 44 3.564 1.998 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.600 2.332 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.708 3.251 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.851 0.665 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.130 0.360 -6.140 1.00 0.00 H new ATOM 689 N CYS A 45 3.705 4.601 -4.522 1.00 0.00 N ATOM 690 CA CYS A 45 3.893 6.028 -4.133 1.00 0.00 C ATOM 691 C CYS A 45 2.826 6.868 -4.841 1.00 0.00 C ATOM 692 O CYS A 45 2.615 6.746 -6.031 1.00 0.00 O ATOM 693 CB CYS A 45 5.294 6.520 -4.539 1.00 0.00 C ATOM 694 SG CYS A 45 6.574 5.572 -3.672 1.00 0.00 S ATOM 0 H CYS A 45 4.309 4.264 -5.272 1.00 0.00 H new ATOM 0 HA CYS A 45 3.797 6.126 -3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.424 6.418 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.396 7.580 -4.305 1.00 0.00 H new ATOM 699 N ALA A 46 2.140 7.709 -4.119 1.00 0.00 N ATOM 700 CA ALA A 46 1.079 8.541 -4.757 1.00 0.00 C ATOM 701 C ALA A 46 0.771 9.741 -3.870 1.00 0.00 C ATOM 702 O ALA A 46 1.334 9.890 -2.809 1.00 0.00 O ATOM 703 CB ALA A 46 -0.185 7.701 -4.917 1.00 0.00 C ATOM 0 H ALA A 46 2.266 7.857 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 46 1.423 8.886 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.965 8.303 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.030 6.836 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.524 7.363 -3.938 1.00 0.00 H new ATOM 709 N ALA A 47 -0.141 10.585 -4.281 1.00 0.00 N ATOM 710 CA ALA A 47 -0.504 11.751 -3.429 1.00 0.00 C ATOM 711 C ALA A 47 -1.238 11.196 -2.209 1.00 0.00 C ATOM 712 O ALA A 47 -0.628 10.638 -1.325 1.00 0.00 O ATOM 713 CB ALA A 47 -1.416 12.703 -4.206 1.00 0.00 C ATOM 0 H ALA A 47 -0.646 10.516 -5.165 1.00 0.00 H new ATOM 0 HA ALA A 47 0.383 12.309 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.677 13.553 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.897 13.058 -5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.324 12.177 -4.500 1.00 0.00 H new ATOM 719 N THR A 48 -2.541 11.281 -2.164 1.00 0.00 N ATOM 720 CA THR A 48 -3.252 10.676 -1.005 1.00 0.00 C ATOM 721 C THR A 48 -3.068 9.173 -1.129 1.00 0.00 C ATOM 722 O THR A 48 -2.213 8.583 -0.518 1.00 0.00 O ATOM 723 CB THR A 48 -4.751 10.995 -1.058 1.00 0.00 C ATOM 724 OG1 THR A 48 -5.106 11.376 -2.381 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.068 12.139 -0.094 1.00 0.00 C ATOM 0 H THR A 48 -3.131 11.732 -2.863 1.00 0.00 H new ATOM 0 HA THR A 48 -2.856 11.068 -0.068 1.00 0.00 H new ATOM 0 HB THR A 48 -5.320 10.112 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.064 11.579 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.134 12.364 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.796 11.846 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.500 13.024 -0.380 1.00 0.00 H new ATOM 830 N LEU A 56 -12.548 1.586 1.452 1.00 0.00 N ATOM 831 CA LEU A 56 -11.839 0.286 1.483 1.00 0.00 C ATOM 832 C LEU A 56 -10.805 0.417 2.601 1.00 0.00 C ATOM 833 O LEU A 56 -11.027 1.134 3.556 1.00 0.00 O ATOM 834 CB LEU A 56 -11.138 0.060 0.134 1.00 0.00 C ATOM 835 CG LEU A 56 -10.939 -1.441 -0.181 1.00 0.00 C ATOM 836 CD1 LEU A 56 -9.482 -1.682 -0.580 1.00 0.00 C ATOM 837 CD2 LEU A 56 -11.276 -2.331 1.028 1.00 0.00 C ATOM 0 HA LEU A 56 -12.512 -0.554 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.726 0.521 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.169 0.559 0.143 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.615 -1.703 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.336 -2.739 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.243 -1.088 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.827 -1.391 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.123 -3.377 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.628 -2.069 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.317 -2.178 1.314 1.00 0.00 H new ATOM 849 N THR A 57 -9.670 -0.213 2.508 1.00 0.00 N ATOM 850 CA THR A 57 -8.678 -0.022 3.597 1.00 0.00 C ATOM 851 C THR A 57 -7.481 0.754 3.063 1.00 0.00 C ATOM 852 O THR A 57 -6.484 0.180 2.686 1.00 0.00 O ATOM 853 CB THR A 57 -8.188 -1.355 4.136 1.00 0.00 C ATOM 854 OG1 THR A 57 -9.267 -2.054 4.743 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.105 -1.066 5.170 1.00 0.00 C ATOM 0 H THR A 57 -9.391 -0.834 1.749 1.00 0.00 H new ATOM 0 HA THR A 57 -9.165 0.527 4.403 1.00 0.00 H new ATOM 0 HB THR A 57 -7.790 -1.972 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.578 -2.762 4.141 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.731 -2.005 5.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.286 -0.524 4.697 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.523 -0.462 5.975 1.00 0.00 H new ATOM 863 N VAL A 58 -7.562 2.053 3.047 1.00 0.00 N ATOM 864 CA VAL A 58 -6.417 2.861 2.551 1.00 0.00 C ATOM 865 C VAL A 58 -5.566 3.306 3.730 1.00 0.00 C ATOM 866 O VAL A 58 -6.015 3.351 4.858 1.00 0.00 O ATOM 867 CB VAL A 58 -6.884 4.129 1.827 1.00 0.00 C ATOM 868 CG1 VAL A 58 -5.799 4.569 0.849 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.177 3.890 1.044 1.00 0.00 C ATOM 0 H VAL A 58 -8.372 2.590 3.356 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.856 2.234 1.858 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.073 4.896 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.122 5.471 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.879 4.775 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.620 3.776 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.476 4.812 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.013 3.111 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.965 3.577 1.729 1.00 0.00 H new ATOM 879 N PHE A 59 -4.349 3.669 3.470 1.00 0.00 N ATOM 880 CA PHE A 59 -3.470 4.150 4.557 1.00 0.00 C ATOM 881 C PHE A 59 -2.324 4.954 3.944 1.00 0.00 C ATOM 882 O PHE A 59 -1.225 4.463 3.778 1.00 0.00 O ATOM 883 CB PHE A 59 -2.912 2.970 5.344 1.00 0.00 C ATOM 884 CG PHE A 59 -1.870 3.488 6.295 1.00 0.00 C ATOM 885 CD1 PHE A 59 -2.093 4.688 6.981 1.00 0.00 C ATOM 886 CD2 PHE A 59 -0.679 2.785 6.478 1.00 0.00 C ATOM 887 CE1 PHE A 59 -1.120 5.184 7.856 1.00 0.00 C ATOM 888 CE2 PHE A 59 0.299 3.280 7.351 1.00 0.00 C ATOM 889 CZ PHE A 59 0.078 4.480 8.041 1.00 0.00 C ATOM 0 H PHE A 59 -3.923 3.653 2.543 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.043 4.780 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.709 2.467 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.477 2.234 4.668 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.015 5.231 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.511 1.860 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.292 6.108 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.222 2.737 7.492 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.830 4.862 8.715 1.00 0.00 H new ATOM 899 N CYS A 60 -2.574 6.188 3.603 1.00 0.00 N ATOM 900 CA CYS A 60 -1.499 7.025 2.998 1.00 0.00 C ATOM 901 C CYS A 60 -0.609 7.559 4.111 1.00 0.00 C ATOM 902 O CYS A 60 -1.002 7.620 5.258 1.00 0.00 O ATOM 903 CB CYS A 60 -2.102 8.203 2.226 1.00 0.00 C ATOM 904 SG CYS A 60 -3.707 7.723 1.552 1.00 0.00 S ATOM 0 H CYS A 60 -3.475 6.653 3.717 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.920 6.414 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.215 9.064 2.885 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.433 8.504 1.420 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.567 7.367 0.309 1.00 0.00 H new ATOM 909 N CYS A 61 0.586 7.947 3.785 1.00 0.00 N ATOM 910 CA CYS A 61 1.496 8.479 4.847 1.00 0.00 C ATOM 911 C CYS A 61 2.459 9.512 4.259 1.00 0.00 C ATOM 912 O CYS A 61 3.099 9.281 3.254 1.00 0.00 O ATOM 913 CB CYS A 61 2.315 7.340 5.468 1.00 0.00 C ATOM 914 SG CYS A 61 1.376 5.794 5.440 1.00 0.00 S ATOM 0 H CYS A 61 0.976 7.923 2.843 1.00 0.00 H new ATOM 0 HA CYS A 61 0.879 8.949 5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.249 7.215 4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.580 7.593 6.495 1.00 0.00 H new ATOM 919 N THR A 62 2.582 10.646 4.900 1.00 0.00 N ATOM 920 CA THR A 62 3.517 11.689 4.397 1.00 0.00 C ATOM 921 C THR A 62 4.864 11.516 5.094 1.00 0.00 C ATOM 922 O THR A 62 5.595 12.460 5.316 1.00 0.00 O ATOM 923 CB THR A 62 2.956 13.081 4.698 1.00 0.00 C ATOM 924 OG1 THR A 62 3.228 13.415 6.053 1.00 0.00 O ATOM 925 CG2 THR A 62 1.446 13.088 4.462 1.00 0.00 C ATOM 0 H THR A 62 2.074 10.892 5.750 1.00 0.00 H new ATOM 0 HA THR A 62 3.639 11.585 3.319 1.00 0.00 H new ATOM 0 HB THR A 62 3.426 13.813 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.195 13.515 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.049 14.080 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.239 12.831 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.972 12.357 5.118 1.00 0.00 H new ATOM 933 N THR A 63 5.190 10.304 5.437 1.00 0.00 N ATOM 934 CA THR A 63 6.483 10.032 6.120 1.00 0.00 C ATOM 935 C THR A 63 7.198 8.902 5.380 1.00 0.00 C ATOM 936 O THR A 63 6.642 8.285 4.493 1.00 0.00 O ATOM 937 CB THR A 63 6.213 9.604 7.565 1.00 0.00 C ATOM 938 OG1 THR A 63 5.181 10.413 8.112 1.00 0.00 O ATOM 939 CG2 THR A 63 7.486 9.763 8.397 1.00 0.00 C ATOM 0 H THR A 63 4.610 9.481 5.272 1.00 0.00 H new ATOM 0 HA THR A 63 7.103 10.929 6.120 1.00 0.00 H new ATOM 0 HB THR A 63 5.903 8.559 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.006 10.139 9.036 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.290 9.457 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.275 9.139 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.802 10.806 8.383 1.00 0.00 H new ATOM 947 N ASP A 64 8.419 8.617 5.733 1.00 0.00 N ATOM 948 CA ASP A 64 9.144 7.520 5.039 1.00 0.00 C ATOM 949 C ASP A 64 8.316 6.239 5.143 1.00 0.00 C ATOM 950 O ASP A 64 7.179 6.269 5.568 1.00 0.00 O ATOM 951 CB ASP A 64 10.510 7.310 5.697 1.00 0.00 C ATOM 952 CG ASP A 64 10.348 7.271 7.218 1.00 0.00 C ATOM 953 OD1 ASP A 64 9.267 6.935 7.671 1.00 0.00 O ATOM 954 OD2 ASP A 64 11.309 7.579 7.904 1.00 0.00 O ATOM 0 H ASP A 64 8.943 9.093 6.467 1.00 0.00 H new ATOM 0 HA ASP A 64 9.293 7.778 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.955 6.379 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.188 8.115 5.414 1.00 0.00 H new ATOM 959 N ASN A 65 8.873 5.118 4.755 1.00 0.00 N ATOM 960 CA ASN A 65 8.113 3.834 4.833 1.00 0.00 C ATOM 961 C ASN A 65 7.262 3.819 6.106 1.00 0.00 C ATOM 962 O ASN A 65 7.735 3.512 7.182 1.00 0.00 O ATOM 963 CB ASN A 65 9.094 2.661 4.864 1.00 0.00 C ATOM 964 CG ASN A 65 9.720 2.489 3.481 1.00 0.00 C ATOM 965 OD1 ASN A 65 9.301 1.648 2.710 1.00 0.00 O ATOM 966 ND2 ASN A 65 10.714 3.256 3.128 1.00 0.00 N ATOM 0 H ASN A 65 9.821 5.038 4.388 1.00 0.00 H new ATOM 0 HA ASN A 65 7.465 3.744 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.871 2.841 5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.577 1.747 5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.138 3.149 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.067 3.962 3.773 1.00 0.00 H new ATOM 973 N CYS A 66 6.010 4.168 5.987 1.00 0.00 N ATOM 974 CA CYS A 66 5.120 4.200 7.181 1.00 0.00 C ATOM 975 C CYS A 66 4.591 2.793 7.482 1.00 0.00 C ATOM 976 O CYS A 66 4.382 2.430 8.622 1.00 0.00 O ATOM 977 CB CYS A 66 3.948 5.152 6.906 1.00 0.00 C ATOM 978 SG CYS A 66 2.777 4.374 5.760 1.00 0.00 S ATOM 0 H CYS A 66 5.564 4.434 5.109 1.00 0.00 H new ATOM 0 HA CYS A 66 5.683 4.552 8.045 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.445 5.402 7.840 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.318 6.086 6.483 1.00 0.00 H new ATOM 983 N ASN A 67 4.367 2.000 6.470 1.00 0.00 N ATOM 984 CA ASN A 67 3.846 0.624 6.708 1.00 0.00 C ATOM 985 C ASN A 67 4.656 -0.383 5.887 1.00 0.00 C ATOM 986 O ASN A 67 4.159 -0.975 4.949 1.00 0.00 O ATOM 987 CB ASN A 67 2.377 0.556 6.290 1.00 0.00 C ATOM 988 CG ASN A 67 1.496 0.411 7.531 1.00 0.00 C ATOM 989 OD1 ASN A 67 0.416 -0.319 7.468 1.00 0.00 O flip ATOM 990 ND2 ASN A 67 1.793 0.969 8.570 1.00 0.00 N flip ATOM 0 H ASN A 67 4.522 2.244 5.492 1.00 0.00 H new ATOM 0 HA ASN A 67 3.936 0.383 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.103 1.457 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.218 -0.288 5.619 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.637 1.540 8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.198 0.866 9.392 1.00 0.00 H new ATOM 997 N HIS A 68 5.898 -0.583 6.231 1.00 0.00 N ATOM 998 CA HIS A 68 6.733 -1.549 5.470 1.00 0.00 C ATOM 999 C HIS A 68 6.217 -2.969 5.706 1.00 0.00 C ATOM 1000 O HIS A 68 5.041 -3.198 5.473 1.00 0.00 O ATOM 1001 CB HIS A 68 8.187 -1.449 5.935 1.00 0.00 C ATOM 1002 CG HIS A 68 8.253 -1.672 7.420 1.00 0.00 C ATOM 1003 ND1 HIS A 68 7.946 -0.860 8.485 1.00 0.00 N flip ATOM 1004 CD2 HIS A 68 8.690 -2.867 7.968 1.00 0.00 C flip ATOM 1005 CE1 HIS A 68 8.188 -1.538 9.675 1.00 0.00 C flip ATOM 1006 NE2 HIS A 68 8.634 -2.742 9.308 1.00 0.00 N flip ATOM 1007 OXT HIS A 68 7.006 -3.804 6.117 1.00 0.00 O ATOM 0 H HIS A 68 6.369 -0.118 7.007 1.00 0.00 H new ATOM 0 HA HIS A 68 6.677 -1.315 4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.797 -2.189 5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.594 -0.469 5.685 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.016 -3.739 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.046 -1.170 10.680 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.900 -3.478 9.963 1.00 0.00 H new