USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=18 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 16 THR OG1 : rot 178:sc= -1.77! USER MOD Set 1.2: A 65 ASN : amide:sc= -2.22 X(o=-4,f=-3.6) USER MOD Set 2.1: A 7 SER OG : rot -119:sc= 0.425 USER MOD Set 2.2: A 9 TYR OH : rot 180:sc= 0.105 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0423 (180deg=-0.121) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.07 (180deg=-0.978) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -1.38! (180deg=-2.82!) USER MOD Single : A 5 THR OG1 : rot 142:sc= 0.33 USER MOD Single : A 10 THR OG1 : rot -57:sc= 1.03 USER MOD Single : A 13 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.94! X(o=-3.9!,f=-3.5) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -1.24 (180deg=-1.93) USER MOD Single : A 28 SER OG : rot 27:sc= -1.19! USER MOD Single : A 30 THR OG1 : rot -51:sc= 0.504 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -132:sc= -1.36! USER MOD Single : A 62 THR OG1 : rot 63:sc= 1.19 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.738! USER MOD Single : A 67 ASN : amide:sc= -7.82! C(o=-7.8!,f=-17!) USER MOD Single : A 68 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.857 11.253 -2.867 1.00 0.00 N ATOM 2 CA MET A 1 9.260 10.987 -1.457 1.00 0.00 C ATOM 3 C MET A 1 9.956 9.650 -1.364 1.00 0.00 C ATOM 4 O MET A 1 10.307 9.035 -2.350 1.00 0.00 O ATOM 5 CB MET A 1 8.027 10.916 -0.557 1.00 0.00 C ATOM 6 CG MET A 1 7.942 12.179 0.299 1.00 0.00 C ATOM 7 SD MET A 1 8.215 13.655 -0.719 1.00 0.00 S ATOM 8 CE MET A 1 9.661 14.282 0.170 1.00 0.00 C ATOM 0 H1 MET A 1 8.763 12.278 -3.014 1.00 0.00 H new ATOM 0 H2 MET A 1 9.581 10.876 -3.512 1.00 0.00 H new ATOM 0 H3 MET A 1 7.946 10.790 -3.061 1.00 0.00 H new ATOM 0 HA MET A 1 9.920 11.794 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.127 10.815 -1.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.081 10.035 0.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.964 12.236 0.778 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.685 12.137 1.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.161 15.038 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.344 14.724 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.351 13.461 0.367 1.00 0.00 H new ATOM 20 N GLN A 2 10.113 9.180 -0.168 1.00 0.00 N ATOM 21 CA GLN A 2 10.732 7.867 0.031 1.00 0.00 C ATOM 22 C GLN A 2 9.663 6.964 0.639 1.00 0.00 C ATOM 23 O GLN A 2 9.376 7.032 1.818 1.00 0.00 O ATOM 24 CB GLN A 2 11.942 7.994 0.962 1.00 0.00 C ATOM 25 CG GLN A 2 13.006 8.870 0.296 1.00 0.00 C ATOM 26 CD GLN A 2 13.840 9.566 1.372 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.886 9.081 1.755 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.420 10.693 1.881 1.00 0.00 N ATOM 0 H GLN A 2 9.833 9.661 0.687 1.00 0.00 H new ATOM 0 HA GLN A 2 11.092 7.449 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.639 8.431 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.352 7.008 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.648 8.260 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.532 9.611 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.542 11.102 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.970 11.165 2.599 1.00 0.00 H new ATOM 37 N CYS A 3 9.036 6.146 -0.162 1.00 0.00 N ATOM 38 CA CYS A 3 7.963 5.271 0.377 1.00 0.00 C ATOM 39 C CYS A 3 8.024 3.906 -0.318 1.00 0.00 C ATOM 40 O CYS A 3 8.002 3.815 -1.529 1.00 0.00 O ATOM 41 CB CYS A 3 6.601 5.934 0.147 1.00 0.00 C ATOM 42 SG CYS A 3 6.353 7.190 1.422 1.00 0.00 S ATOM 0 H CYS A 3 9.221 6.048 -1.160 1.00 0.00 H new ATOM 0 HA CYS A 3 8.104 5.126 1.448 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.563 6.387 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.806 5.190 0.188 1.00 0.00 H new ATOM 47 N LYS A 4 8.119 2.847 0.440 1.00 0.00 N ATOM 48 CA LYS A 4 8.202 1.488 -0.174 1.00 0.00 C ATOM 49 C LYS A 4 7.001 1.251 -1.094 1.00 0.00 C ATOM 50 O LYS A 4 6.036 1.989 -1.074 1.00 0.00 O ATOM 51 CB LYS A 4 8.225 0.433 0.934 1.00 0.00 C ATOM 52 CG LYS A 4 9.580 -0.277 0.925 1.00 0.00 C ATOM 53 CD LYS A 4 9.440 -1.629 0.225 1.00 0.00 C ATOM 54 CE LYS A 4 10.188 -1.592 -1.108 1.00 0.00 C ATOM 55 NZ LYS A 4 10.827 -2.914 -1.362 1.00 0.00 N ATOM 0 H LYS A 4 8.143 2.863 1.460 1.00 0.00 H new ATOM 0 HA LYS A 4 9.115 1.415 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.053 0.902 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.422 -0.288 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.321 0.336 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.936 -0.419 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.841 -2.421 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.387 -1.857 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.498 -1.349 -1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.946 -0.809 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.701 -2.778 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.054 -3.370 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.173 -3.518 -1.899 1.00 0.00 H new ATOM 69 N THR A 5 7.058 0.231 -1.911 1.00 0.00 N ATOM 70 CA THR A 5 5.923 -0.045 -2.838 1.00 0.00 C ATOM 71 C THR A 5 5.980 -1.499 -3.322 1.00 0.00 C ATOM 72 O THR A 5 5.973 -1.765 -4.506 1.00 0.00 O ATOM 73 CB THR A 5 6.017 0.892 -4.045 1.00 0.00 C ATOM 74 OG1 THR A 5 7.306 1.490 -4.079 1.00 0.00 O ATOM 75 CG2 THR A 5 4.949 1.981 -3.934 1.00 0.00 C ATOM 0 H THR A 5 7.840 -0.421 -1.975 1.00 0.00 H new ATOM 0 HA THR A 5 4.983 0.120 -2.311 1.00 0.00 H new ATOM 0 HB THR A 5 5.856 0.323 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.608 1.563 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.018 2.647 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.961 1.521 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.106 2.553 -3.019 1.00 0.00 H new ATOM 83 N CYS A 6 6.028 -2.443 -2.421 1.00 0.00 N ATOM 84 CA CYS A 6 6.074 -3.873 -2.843 1.00 0.00 C ATOM 85 C CYS A 6 5.151 -4.692 -1.931 1.00 0.00 C ATOM 86 O CYS A 6 4.100 -4.229 -1.535 1.00 0.00 O ATOM 87 CB CYS A 6 7.521 -4.383 -2.767 1.00 0.00 C ATOM 88 SG CYS A 6 8.223 -3.991 -1.147 1.00 0.00 S ATOM 0 H CYS A 6 6.037 -2.287 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 6 5.730 -3.976 -3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.546 -5.460 -2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.120 -3.925 -3.554 1.00 0.00 H new ATOM 93 N SER A 7 5.526 -5.894 -1.588 1.00 0.00 N ATOM 94 CA SER A 7 4.669 -6.719 -0.701 1.00 0.00 C ATOM 95 C SER A 7 4.954 -6.315 0.738 1.00 0.00 C ATOM 96 O SER A 7 5.623 -7.014 1.461 1.00 0.00 O ATOM 97 CB SER A 7 5.008 -8.197 -0.898 1.00 0.00 C ATOM 98 OG SER A 7 4.312 -8.693 -2.034 1.00 0.00 O ATOM 0 H SER A 7 6.394 -6.339 -1.887 1.00 0.00 H new ATOM 0 HA SER A 7 3.616 -6.564 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.082 -8.320 -1.034 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.731 -8.766 -0.011 1.00 0.00 H new ATOM 0 HG SER A 7 3.715 -9.420 -1.760 1.00 0.00 H new ATOM 104 N PHE A 8 4.477 -5.168 1.130 1.00 0.00 N ATOM 105 CA PHE A 8 4.722 -4.651 2.514 1.00 0.00 C ATOM 106 C PHE A 8 4.358 -5.700 3.576 1.00 0.00 C ATOM 107 O PHE A 8 4.989 -5.776 4.609 1.00 0.00 O ATOM 108 CB PHE A 8 3.893 -3.381 2.720 1.00 0.00 C ATOM 109 CG PHE A 8 2.984 -3.537 3.913 1.00 0.00 C ATOM 110 CD1 PHE A 8 1.853 -4.346 3.814 1.00 0.00 C ATOM 111 CD2 PHE A 8 3.288 -2.889 5.110 1.00 0.00 C ATOM 112 CE1 PHE A 8 1.009 -4.504 4.920 1.00 0.00 C ATOM 113 CE2 PHE A 8 2.447 -3.042 6.219 1.00 0.00 C ATOM 114 CZ PHE A 8 1.305 -3.850 6.123 1.00 0.00 C ATOM 0 H PHE A 8 3.916 -4.552 0.542 1.00 0.00 H new ATOM 0 HA PHE A 8 5.783 -4.428 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.554 -2.527 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.301 -3.176 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.628 -4.850 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.170 -2.270 5.181 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.131 -5.129 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.677 -2.539 7.146 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.654 -3.968 6.976 1.00 0.00 H new ATOM 124 N TYR A 9 3.354 -6.504 3.351 1.00 0.00 N ATOM 125 CA TYR A 9 2.988 -7.523 4.384 1.00 0.00 C ATOM 126 C TYR A 9 4.189 -8.448 4.638 1.00 0.00 C ATOM 127 O TYR A 9 4.145 -9.340 5.461 1.00 0.00 O ATOM 128 CB TYR A 9 1.795 -8.349 3.899 1.00 0.00 C ATOM 129 CG TYR A 9 2.180 -9.135 2.669 1.00 0.00 C ATOM 130 CD1 TYR A 9 2.106 -8.537 1.406 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.602 -10.464 2.792 1.00 0.00 C ATOM 132 CE1 TYR A 9 2.454 -9.268 0.264 1.00 0.00 C ATOM 133 CE2 TYR A 9 2.953 -11.195 1.651 1.00 0.00 C ATOM 134 CZ TYR A 9 2.878 -10.597 0.386 1.00 0.00 C ATOM 135 OH TYR A 9 3.220 -11.318 -0.740 1.00 0.00 O ATOM 0 H TYR A 9 2.777 -6.503 2.510 1.00 0.00 H new ATOM 0 HA TYR A 9 2.717 -7.016 5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.467 -9.027 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.955 -7.692 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.780 -7.512 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.657 -10.925 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.395 -8.807 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.281 -12.219 1.746 1.00 0.00 H new ATOM 0 HH TYR A 9 3.493 -12.222 -0.479 1.00 0.00 H new ATOM 145 N THR A 10 5.252 -8.233 3.917 1.00 0.00 N ATOM 146 CA THR A 10 6.471 -9.055 4.049 1.00 0.00 C ATOM 147 C THR A 10 7.592 -8.313 3.322 1.00 0.00 C ATOM 148 O THR A 10 8.493 -8.917 2.775 1.00 0.00 O ATOM 149 CB THR A 10 6.224 -10.373 3.335 1.00 0.00 C ATOM 150 OG1 THR A 10 7.460 -11.041 3.122 1.00 0.00 O ATOM 151 CG2 THR A 10 5.563 -10.051 1.995 1.00 0.00 C ATOM 0 H THR A 10 5.321 -7.493 3.219 1.00 0.00 H new ATOM 0 HA THR A 10 6.728 -9.231 5.093 1.00 0.00 H new ATOM 0 HB THR A 10 5.583 -11.023 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.060 -10.462 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.370 -10.977 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.622 -9.530 2.170 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.225 -9.417 1.406 1.00 0.00 H new ATOM 159 N CYS A 11 7.517 -7.004 3.271 1.00 0.00 N ATOM 160 CA CYS A 11 8.557 -6.229 2.537 1.00 0.00 C ATOM 161 C CYS A 11 9.427 -5.421 3.510 1.00 0.00 C ATOM 162 O CYS A 11 9.120 -4.292 3.821 1.00 0.00 O ATOM 163 CB CYS A 11 7.876 -5.280 1.543 1.00 0.00 C ATOM 164 SG CYS A 11 8.294 -5.749 -0.155 1.00 0.00 S ATOM 0 H CYS A 11 6.783 -6.445 3.705 1.00 0.00 H new ATOM 0 HA CYS A 11 9.200 -6.928 2.002 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.795 -5.311 1.681 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.192 -4.254 1.733 1.00 0.00 H new ATOM 169 N PRO A 12 10.503 -6.024 3.950 1.00 0.00 N ATOM 170 CA PRO A 12 11.451 -5.379 4.877 1.00 0.00 C ATOM 171 C PRO A 12 12.393 -4.452 4.099 1.00 0.00 C ATOM 172 O PRO A 12 13.122 -3.666 4.671 1.00 0.00 O ATOM 173 CB PRO A 12 12.225 -6.557 5.473 1.00 0.00 C ATOM 174 CG PRO A 12 12.090 -7.723 4.464 1.00 0.00 C ATOM 175 CD PRO A 12 10.871 -7.403 3.578 1.00 0.00 C ATOM 0 HA PRO A 12 10.966 -4.766 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.272 -6.296 5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.820 -6.836 6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.993 -7.819 3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.952 -8.671 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.118 -7.477 2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.051 -8.097 3.763 1.00 0.00 H new ATOM 183 N ASN A 13 12.384 -4.550 2.797 1.00 0.00 N ATOM 184 CA ASN A 13 13.283 -3.689 1.969 1.00 0.00 C ATOM 185 C ASN A 13 12.806 -2.231 2.011 1.00 0.00 C ATOM 186 O ASN A 13 12.074 -1.831 2.895 1.00 0.00 O ATOM 187 CB ASN A 13 13.261 -4.185 0.521 1.00 0.00 C ATOM 188 CG ASN A 13 14.660 -4.654 0.115 1.00 0.00 C ATOM 189 OD1 ASN A 13 15.226 -4.158 -0.839 1.00 0.00 O ATOM 190 ND2 ASN A 13 15.244 -5.599 0.801 1.00 0.00 N ATOM 0 H ASN A 13 11.792 -5.190 2.268 1.00 0.00 H new ATOM 0 HA ASN A 13 14.296 -3.744 2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.548 -5.003 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.928 -3.387 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.175 -5.921 0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.769 -6.016 1.602 1.00 0.00 H new ATOM 197 N SER A 14 13.223 -1.436 1.058 1.00 0.00 N ATOM 198 CA SER A 14 12.804 -0.003 1.032 1.00 0.00 C ATOM 199 C SER A 14 12.744 0.485 -0.420 1.00 0.00 C ATOM 200 O SER A 14 13.462 0.005 -1.275 1.00 0.00 O ATOM 201 CB SER A 14 13.819 0.840 1.808 1.00 0.00 C ATOM 202 OG SER A 14 15.010 0.086 1.994 1.00 0.00 O ATOM 0 H SER A 14 13.838 -1.719 0.295 1.00 0.00 H new ATOM 0 HA SER A 14 11.821 0.096 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.038 1.759 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.405 1.132 2.773 1.00 0.00 H new ATOM 0 HG SER A 14 15.663 0.623 2.489 1.00 0.00 H new ATOM 208 N GLU A 15 11.895 1.438 -0.705 1.00 0.00 N ATOM 209 CA GLU A 15 11.795 1.955 -2.100 1.00 0.00 C ATOM 210 C GLU A 15 11.474 3.450 -2.066 1.00 0.00 C ATOM 211 O GLU A 15 10.433 3.867 -1.590 1.00 0.00 O ATOM 212 CB GLU A 15 10.685 1.212 -2.850 1.00 0.00 C ATOM 213 CG GLU A 15 10.895 1.368 -4.356 1.00 0.00 C ATOM 214 CD GLU A 15 10.027 2.515 -4.876 1.00 0.00 C ATOM 215 OE1 GLU A 15 10.093 3.590 -4.303 1.00 0.00 O ATOM 216 OE2 GLU A 15 9.310 2.299 -5.839 1.00 0.00 O ATOM 0 H GLU A 15 11.268 1.879 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 15 12.744 1.796 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.692 0.156 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.710 1.608 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.945 1.567 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.636 0.441 -4.868 1.00 0.00 H new ATOM 223 N THR A 16 12.365 4.263 -2.554 1.00 0.00 N ATOM 224 CA THR A 16 12.118 5.728 -2.536 1.00 0.00 C ATOM 225 C THR A 16 11.378 6.160 -3.807 1.00 0.00 C ATOM 226 O THR A 16 11.855 5.973 -4.910 1.00 0.00 O ATOM 227 CB THR A 16 13.458 6.466 -2.443 1.00 0.00 C ATOM 228 OG1 THR A 16 13.972 6.339 -1.125 1.00 0.00 O ATOM 229 CG2 THR A 16 13.259 7.947 -2.775 1.00 0.00 C ATOM 0 H THR A 16 13.254 3.976 -2.965 1.00 0.00 H new ATOM 0 HA THR A 16 11.501 5.974 -1.672 1.00 0.00 H new ATOM 0 HB THR A 16 14.161 6.032 -3.154 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.845 6.781 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.215 8.467 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.864 8.043 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.556 8.387 -2.068 1.00 0.00 H new ATOM 237 N CYS A 17 10.223 6.754 -3.658 1.00 0.00 N ATOM 238 CA CYS A 17 9.459 7.222 -4.851 1.00 0.00 C ATOM 239 C CYS A 17 10.336 8.197 -5.638 1.00 0.00 C ATOM 240 O CYS A 17 11.333 8.671 -5.132 1.00 0.00 O ATOM 241 CB CYS A 17 8.174 7.920 -4.385 1.00 0.00 C ATOM 242 SG CYS A 17 7.373 6.917 -3.109 1.00 0.00 S ATOM 0 H CYS A 17 9.775 6.935 -2.760 1.00 0.00 H new ATOM 0 HA CYS A 17 9.190 6.379 -5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.407 8.910 -3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.498 8.063 -5.228 1.00 0.00 H new ATOM 247 N PRO A 18 9.949 8.459 -6.860 1.00 0.00 N ATOM 248 CA PRO A 18 10.701 9.365 -7.743 1.00 0.00 C ATOM 249 C PRO A 18 10.486 10.826 -7.334 1.00 0.00 C ATOM 250 O PRO A 18 9.880 11.113 -6.321 1.00 0.00 O ATOM 251 CB PRO A 18 10.125 9.070 -9.131 1.00 0.00 C ATOM 252 CG PRO A 18 8.733 8.437 -8.906 1.00 0.00 C ATOM 253 CD PRO A 18 8.728 7.890 -7.470 1.00 0.00 C ATOM 0 HA PRO A 18 11.779 9.213 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.044 9.984 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.775 8.391 -9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.944 9.177 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.549 7.639 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.833 8.198 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.748 6.800 -7.459 1.00 0.00 H new ATOM 261 N ASP A 19 10.998 11.752 -8.104 1.00 0.00 N ATOM 262 CA ASP A 19 10.841 13.193 -7.748 1.00 0.00 C ATOM 263 C ASP A 19 9.492 13.713 -8.242 1.00 0.00 C ATOM 264 O ASP A 19 9.420 14.574 -9.096 1.00 0.00 O ATOM 265 CB ASP A 19 11.949 14.003 -8.404 1.00 0.00 C ATOM 266 CG ASP A 19 13.309 13.434 -8.000 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.343 12.627 -7.085 1.00 0.00 O ATOM 268 OD2 ASP A 19 14.294 13.814 -8.611 1.00 0.00 O ATOM 0 H ASP A 19 11.518 11.572 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 19 10.895 13.294 -6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.840 13.976 -9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.877 15.048 -8.102 1.00 0.00 H new ATOM 273 N GLY A 20 8.429 13.202 -7.706 1.00 0.00 N ATOM 274 CA GLY A 20 7.078 13.664 -8.127 1.00 0.00 C ATOM 275 C GLY A 20 6.057 13.276 -7.059 1.00 0.00 C ATOM 276 O GLY A 20 5.168 14.035 -6.729 1.00 0.00 O ATOM 0 H GLY A 20 8.433 12.478 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.079 14.745 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.809 13.216 -9.084 1.00 0.00 H new ATOM 280 N LYS A 21 6.173 12.092 -6.523 1.00 0.00 N ATOM 281 CA LYS A 21 5.210 11.649 -5.486 1.00 0.00 C ATOM 282 C LYS A 21 5.573 12.248 -4.145 1.00 0.00 C ATOM 283 O LYS A 21 6.448 13.082 -4.033 1.00 0.00 O ATOM 284 CB LYS A 21 5.225 10.121 -5.362 1.00 0.00 C ATOM 285 CG LYS A 21 4.350 9.436 -6.428 1.00 0.00 C ATOM 286 CD LYS A 21 3.228 10.349 -6.938 1.00 0.00 C ATOM 287 CE LYS A 21 2.712 9.817 -8.276 1.00 0.00 C ATOM 288 NZ LYS A 21 1.515 10.602 -8.694 1.00 0.00 N ATOM 0 H LYS A 21 6.896 11.414 -6.762 1.00 0.00 H new ATOM 0 HA LYS A 21 4.216 11.983 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.250 9.762 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.874 9.836 -4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.976 9.131 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.914 8.529 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.416 10.387 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.598 11.367 -7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.492 9.891 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.455 8.762 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.163 10.241 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.770 10.510 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.775 11.604 -8.796 1.00 0.00 H new ATOM 302 N ASN A 22 4.882 11.838 -3.125 1.00 0.00 N ATOM 303 CA ASN A 22 5.173 12.415 -1.777 1.00 0.00 C ATOM 304 C ASN A 22 4.716 11.509 -0.638 1.00 0.00 C ATOM 305 O ASN A 22 4.711 11.925 0.503 1.00 0.00 O ATOM 306 CB ASN A 22 4.436 13.747 -1.643 1.00 0.00 C ATOM 307 CG ASN A 22 5.344 14.887 -2.111 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.999 15.527 -1.313 1.00 0.00 O ATOM 309 ND2 ASN A 22 5.407 15.169 -3.386 1.00 0.00 N ATOM 0 H ASN A 22 4.139 11.140 -3.157 1.00 0.00 H new ATOM 0 HA ASN A 22 6.254 12.535 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.522 13.730 -2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.140 13.907 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.007 15.927 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.857 14.631 -4.055 1.00 0.00 H new ATOM 316 N ILE A 23 4.321 10.296 -0.886 1.00 0.00 N ATOM 317 CA ILE A 23 3.876 9.479 0.273 1.00 0.00 C ATOM 318 C ILE A 23 3.881 7.987 -0.038 1.00 0.00 C ATOM 319 O ILE A 23 4.069 7.550 -1.155 1.00 0.00 O ATOM 320 CB ILE A 23 2.456 9.928 0.674 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.496 10.535 2.072 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.466 8.748 0.676 1.00 0.00 C ATOM 323 CD1 ILE A 23 1.065 10.772 2.549 1.00 0.00 C ATOM 0 H ILE A 23 4.286 9.847 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 23 4.576 9.636 1.093 1.00 0.00 H new ATOM 0 HB ILE A 23 2.118 10.661 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.016 9.867 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.050 11.474 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.477 9.104 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.419 8.311 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.801 7.993 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.082 11.206 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.562 11.455 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.528 9.824 2.574 1.00 0.00 H new ATOM 335 N CYS A 24 3.608 7.227 0.979 1.00 0.00 N ATOM 336 CA CYS A 24 3.508 5.762 0.850 1.00 0.00 C ATOM 337 C CYS A 24 2.017 5.451 0.928 1.00 0.00 C ATOM 338 O CYS A 24 1.309 6.073 1.687 1.00 0.00 O ATOM 339 CB CYS A 24 4.226 5.073 2.020 1.00 0.00 C ATOM 340 SG CYS A 24 5.345 6.220 2.883 1.00 0.00 S ATOM 0 H CYS A 24 3.446 7.578 1.923 1.00 0.00 H new ATOM 0 HA CYS A 24 3.963 5.411 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.489 4.684 2.723 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.793 4.220 1.649 1.00 0.00 H new ATOM 345 N VAL A 25 1.508 4.536 0.163 1.00 0.00 N ATOM 346 CA VAL A 25 0.044 4.284 0.255 1.00 0.00 C ATOM 347 C VAL A 25 -0.273 2.812 0.032 1.00 0.00 C ATOM 348 O VAL A 25 0.443 2.101 -0.644 1.00 0.00 O ATOM 349 CB VAL A 25 -0.681 5.128 -0.794 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.116 6.549 -0.778 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.474 4.513 -2.182 1.00 0.00 C ATOM 0 H VAL A 25 2.022 3.963 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.293 4.559 1.255 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.747 5.154 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.631 7.154 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.263 6.988 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.949 6.520 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.992 5.116 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.591 4.486 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.874 3.499 -2.194 1.00 0.00 H new ATOM 361 N LYS A 26 -1.358 2.358 0.595 1.00 0.00 N ATOM 362 CA LYS A 26 -1.748 0.938 0.419 1.00 0.00 C ATOM 363 C LYS A 26 -3.270 0.833 0.356 1.00 0.00 C ATOM 364 O LYS A 26 -3.994 1.660 0.882 1.00 0.00 O ATOM 365 CB LYS A 26 -1.236 0.078 1.583 1.00 0.00 C ATOM 366 CG LYS A 26 -0.687 0.961 2.701 1.00 0.00 C ATOM 367 CD LYS A 26 -0.516 0.120 3.969 1.00 0.00 C ATOM 368 CE LYS A 26 -1.883 -0.363 4.460 1.00 0.00 C ATOM 369 NZ LYS A 26 -1.926 -1.852 4.438 1.00 0.00 N ATOM 0 H LYS A 26 -1.991 2.914 1.170 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.304 0.574 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.045 -0.543 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.457 -0.597 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.269 1.392 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.366 1.792 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.130 -0.734 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.029 0.710 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.067 0.001 5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.672 0.043 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.727 -2.185 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.042 -2.182 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.039 -2.231 4.828 1.00 0.00 H new ATOM 383 N ARG A 27 -3.737 -0.198 -0.278 1.00 0.00 N ATOM 384 CA ARG A 27 -5.197 -0.444 -0.411 1.00 0.00 C ATOM 385 C ARG A 27 -5.476 -1.821 0.171 1.00 0.00 C ATOM 386 O ARG A 27 -4.805 -2.775 -0.149 1.00 0.00 O ATOM 387 CB ARG A 27 -5.570 -0.419 -1.896 1.00 0.00 C ATOM 388 CG ARG A 27 -4.884 0.770 -2.572 1.00 0.00 C ATOM 389 CD ARG A 27 -5.006 0.634 -4.091 1.00 0.00 C ATOM 390 NE ARG A 27 -6.309 1.203 -4.538 1.00 0.00 N ATOM 391 CZ ARG A 27 -6.794 0.885 -5.706 1.00 0.00 C ATOM 392 NH1 ARG A 27 -6.008 0.823 -6.746 1.00 0.00 N ATOM 393 NH2 ARG A 27 -8.067 0.629 -5.836 1.00 0.00 N ATOM 0 H ARG A 27 -3.151 -0.903 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.779 0.315 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.265 -1.349 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.651 -0.342 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.341 1.703 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.834 0.810 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.183 1.154 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.937 -0.415 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.822 1.842 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.013 1.023 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.389 0.574 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.683 0.678 -5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.446 0.380 -6.750 1.00 0.00 H new ATOM 407 N SER A 28 -6.440 -1.942 1.030 1.00 0.00 N ATOM 408 CA SER A 28 -6.722 -3.278 1.614 1.00 0.00 C ATOM 409 C SER A 28 -8.219 -3.538 1.533 1.00 0.00 C ATOM 410 O SER A 28 -9.002 -2.962 2.263 1.00 0.00 O ATOM 411 CB SER A 28 -6.259 -3.316 3.070 1.00 0.00 C ATOM 412 OG SER A 28 -7.132 -2.526 3.865 1.00 0.00 O ATOM 0 H SER A 28 -7.041 -1.183 1.352 1.00 0.00 H new ATOM 0 HA SER A 28 -6.185 -4.048 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.249 -4.344 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.239 -2.941 3.148 1.00 0.00 H new ATOM 0 HG SER A 28 -8.017 -2.493 3.445 1.00 0.00 H new ATOM 418 N TRP A 29 -8.628 -4.398 0.646 1.00 0.00 N ATOM 419 CA TRP A 29 -10.074 -4.680 0.522 1.00 0.00 C ATOM 420 C TRP A 29 -10.317 -6.177 0.608 1.00 0.00 C ATOM 421 O TRP A 29 -9.404 -6.966 0.549 1.00 0.00 O ATOM 422 CB TRP A 29 -10.618 -4.119 -0.787 1.00 0.00 C ATOM 423 CG TRP A 29 -9.897 -4.670 -1.983 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.462 -5.463 -2.918 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.516 -4.461 -2.411 1.00 0.00 C ATOM 426 NE1 TRP A 29 -9.531 -5.732 -3.904 1.00 0.00 N ATOM 427 CE2 TRP A 29 -8.315 -5.141 -3.635 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.437 -3.753 -1.868 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -7.087 -5.109 -4.297 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.196 -3.718 -2.529 1.00 0.00 C ATOM 431 CH2 TRP A 29 -6.022 -4.390 -3.743 1.00 0.00 C ATOM 0 H TRP A 29 -8.024 -4.914 0.006 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.601 -4.193 1.342 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.680 -4.351 -0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.529 -3.033 -0.780 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.478 -5.829 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.721 -6.299 -4.730 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.559 -3.228 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.959 -5.636 -5.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.373 -3.169 -2.096 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.070 -4.354 -4.251 1.00 0.00 H new ATOM 442 N THR A 30 -11.546 -6.558 0.789 1.00 0.00 N ATOM 443 CA THR A 30 -11.883 -8.000 0.934 1.00 0.00 C ATOM 444 C THR A 30 -12.245 -8.624 -0.414 1.00 0.00 C ATOM 445 O THR A 30 -13.032 -9.546 -0.487 1.00 0.00 O ATOM 446 CB THR A 30 -13.080 -8.117 1.866 1.00 0.00 C ATOM 447 OG1 THR A 30 -13.269 -9.475 2.236 1.00 0.00 O ATOM 448 CG2 THR A 30 -14.314 -7.597 1.134 1.00 0.00 C ATOM 0 H THR A 30 -12.343 -5.924 0.844 1.00 0.00 H new ATOM 0 HA THR A 30 -11.016 -8.527 1.333 1.00 0.00 H new ATOM 0 HB THR A 30 -12.912 -7.532 2.770 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.295 -10.033 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.183 -7.673 1.787 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.159 -6.555 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.482 -8.192 0.236 1.00 0.00 H new ATOM 568 N ARG A 39 -8.402 -10.524 2.043 1.00 0.00 N ATOM 569 CA ARG A 39 -8.359 -9.121 1.559 1.00 0.00 C ATOM 570 C ARG A 39 -7.170 -8.931 0.614 1.00 0.00 C ATOM 571 O ARG A 39 -6.041 -9.232 0.944 1.00 0.00 O ATOM 572 CB ARG A 39 -8.243 -8.168 2.755 1.00 0.00 C ATOM 573 CG ARG A 39 -6.781 -8.041 3.189 1.00 0.00 C ATOM 574 CD ARG A 39 -6.718 -7.501 4.617 1.00 0.00 C ATOM 575 NE ARG A 39 -5.844 -8.377 5.444 1.00 0.00 N ATOM 576 CZ ARG A 39 -5.885 -8.295 6.746 1.00 0.00 C ATOM 577 NH1 ARG A 39 -7.034 -8.289 7.362 1.00 0.00 N ATOM 578 NH2 ARG A 39 -4.777 -8.214 7.430 1.00 0.00 N ATOM 0 HA ARG A 39 -9.277 -8.899 1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.637 -7.188 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.845 -8.538 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.289 -9.012 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.247 -7.374 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.331 -6.482 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.719 -7.460 5.046 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.214 -9.041 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.900 -8.348 6.826 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.067 -8.225 8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.878 -8.215 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.809 -8.150 8.447 1.00 0.00 H new ATOM 592 N GLU A 40 -7.424 -8.415 -0.552 1.00 0.00 N ATOM 593 CA GLU A 40 -6.322 -8.178 -1.523 1.00 0.00 C ATOM 594 C GLU A 40 -5.725 -6.804 -1.235 1.00 0.00 C ATOM 595 O GLU A 40 -6.436 -5.884 -0.891 1.00 0.00 O ATOM 596 CB GLU A 40 -6.877 -8.189 -2.953 1.00 0.00 C ATOM 597 CG GLU A 40 -8.145 -9.041 -3.023 1.00 0.00 C ATOM 598 CD GLU A 40 -7.872 -10.418 -2.412 1.00 0.00 C ATOM 599 OE1 GLU A 40 -7.224 -11.216 -3.068 1.00 0.00 O ATOM 600 OE2 GLU A 40 -8.315 -10.648 -1.299 1.00 0.00 O ATOM 0 H GLU A 40 -8.352 -8.145 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.567 -8.958 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.097 -7.170 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.127 -8.584 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.956 -8.548 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.466 -9.149 -4.059 1.00 0.00 H new ATOM 607 N ILE A 41 -4.440 -6.637 -1.366 1.00 0.00 N ATOM 608 CA ILE A 41 -3.869 -5.293 -1.089 1.00 0.00 C ATOM 609 C ILE A 41 -2.935 -4.868 -2.218 1.00 0.00 C ATOM 610 O ILE A 41 -2.623 -5.632 -3.110 1.00 0.00 O ATOM 611 CB ILE A 41 -3.112 -5.292 0.240 1.00 0.00 C ATOM 612 CG1 ILE A 41 -1.881 -6.193 0.140 1.00 0.00 C ATOM 613 CG2 ILE A 41 -4.032 -5.795 1.351 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.709 -5.523 0.860 1.00 0.00 C ATOM 0 H ILE A 41 -3.773 -7.356 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.692 -4.581 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.789 -4.276 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.090 -7.165 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.628 -6.370 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.493 -5.794 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.901 -5.141 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.360 -6.809 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.172 -6.161 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.497 -4.561 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.966 -5.369 1.908 1.00 0.00 H new ATOM 626 N ARG A 42 -2.500 -3.642 -2.182 1.00 0.00 N ATOM 627 CA ARG A 42 -1.597 -3.123 -3.242 1.00 0.00 C ATOM 628 C ARG A 42 -0.963 -1.823 -2.740 1.00 0.00 C ATOM 629 O ARG A 42 -1.448 -1.214 -1.812 1.00 0.00 O ATOM 630 CB ARG A 42 -2.420 -2.860 -4.502 1.00 0.00 C ATOM 631 CG ARG A 42 -1.530 -2.259 -5.583 1.00 0.00 C ATOM 632 CD ARG A 42 -2.006 -2.732 -6.958 1.00 0.00 C ATOM 633 NE ARG A 42 -3.064 -1.813 -7.461 1.00 0.00 N ATOM 634 CZ ARG A 42 -4.275 -2.258 -7.658 1.00 0.00 C ATOM 635 NH1 ARG A 42 -5.119 -2.312 -6.665 1.00 0.00 N ATOM 636 NH2 ARG A 42 -4.639 -2.651 -8.848 1.00 0.00 N ATOM 0 H ARG A 42 -2.735 -2.969 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.812 -3.843 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.864 -3.790 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.242 -2.181 -4.276 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.561 -1.171 -5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.494 -2.557 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.169 -2.756 -7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.394 -3.748 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.842 -0.836 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.832 -2.006 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.066 -2.660 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.977 -2.610 -9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.585 -2.999 -9.003 1.00 0.00 H new ATOM 650 N ARG A 43 0.120 -1.392 -3.322 1.00 0.00 N ATOM 651 CA ARG A 43 0.768 -0.139 -2.828 1.00 0.00 C ATOM 652 C ARG A 43 1.019 0.842 -3.977 1.00 0.00 C ATOM 653 O ARG A 43 0.703 0.578 -5.120 1.00 0.00 O ATOM 654 CB ARG A 43 2.103 -0.487 -2.167 1.00 0.00 C ATOM 655 CG ARG A 43 1.881 -0.757 -0.677 1.00 0.00 C ATOM 656 CD ARG A 43 0.896 -1.914 -0.509 1.00 0.00 C ATOM 657 NE ARG A 43 1.333 -2.777 0.622 1.00 0.00 N ATOM 658 CZ ARG A 43 1.129 -2.394 1.852 1.00 0.00 C ATOM 659 NH1 ARG A 43 1.965 -1.569 2.425 1.00 0.00 N ATOM 660 NH2 ARG A 43 0.091 -2.834 2.509 1.00 0.00 N ATOM 0 H ARG A 43 0.583 -1.845 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 43 0.099 0.333 -2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.540 -1.364 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.810 0.332 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.828 -0.999 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.495 0.137 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.106 -1.528 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.845 -2.498 -1.428 1.00 0.00 H new ATOM 0 HE ARG A 43 1.792 -3.668 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.776 -1.225 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.807 -1.269 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.561 -3.478 2.061 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.068 -2.534 3.471 1.00 0.00 H new ATOM 674 N GLU A 44 1.595 1.977 -3.667 1.00 0.00 N ATOM 675 CA GLU A 44 1.884 2.997 -4.719 1.00 0.00 C ATOM 676 C GLU A 44 2.308 4.311 -4.052 1.00 0.00 C ATOM 677 O GLU A 44 2.004 4.561 -2.902 1.00 0.00 O ATOM 678 CB GLU A 44 0.628 3.238 -5.558 1.00 0.00 C ATOM 679 CG GLU A 44 0.797 2.592 -6.935 1.00 0.00 C ATOM 680 CD GLU A 44 0.856 3.682 -8.007 1.00 0.00 C ATOM 681 OE1 GLU A 44 1.360 4.752 -7.709 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.395 3.428 -9.108 1.00 0.00 O ATOM 0 H GLU A 44 1.879 2.241 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 44 2.687 2.636 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.244 2.820 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.451 4.308 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.708 1.994 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.033 1.915 -7.135 1.00 0.00 H new ATOM 689 N CYS A 45 2.999 5.159 -4.767 1.00 0.00 N ATOM 690 CA CYS A 45 3.431 6.462 -4.174 1.00 0.00 C ATOM 691 C CYS A 45 2.407 7.542 -4.545 1.00 0.00 C ATOM 692 O CYS A 45 1.932 7.596 -5.661 1.00 0.00 O ATOM 693 CB CYS A 45 4.806 6.858 -4.731 1.00 0.00 C ATOM 694 SG CYS A 45 6.079 5.728 -4.113 1.00 0.00 S ATOM 0 H CYS A 45 3.283 5.007 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 45 3.497 6.364 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.786 6.834 -5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.044 7.881 -4.439 1.00 0.00 H new ATOM 699 N ALA A 46 2.059 8.401 -3.622 1.00 0.00 N ATOM 700 CA ALA A 46 1.063 9.469 -3.939 1.00 0.00 C ATOM 701 C ALA A 46 1.168 10.601 -2.914 1.00 0.00 C ATOM 702 O ALA A 46 2.047 10.610 -2.079 1.00 0.00 O ATOM 703 CB ALA A 46 -0.343 8.874 -3.889 1.00 0.00 C ATOM 0 H ALA A 46 2.419 8.410 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 46 1.265 9.866 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.074 9.649 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.424 8.070 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.535 8.479 -2.892 1.00 0.00 H new ATOM 709 N ALA A 47 0.266 11.550 -2.962 1.00 0.00 N ATOM 710 CA ALA A 47 0.303 12.667 -1.975 1.00 0.00 C ATOM 711 C ALA A 47 -0.227 12.138 -0.643 1.00 0.00 C ATOM 712 O ALA A 47 0.512 11.951 0.301 1.00 0.00 O ATOM 713 CB ALA A 47 -0.583 13.817 -2.461 1.00 0.00 C ATOM 0 H ALA A 47 -0.493 11.597 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 47 1.322 13.036 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.553 14.631 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.219 14.175 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.609 13.465 -2.569 1.00 0.00 H new ATOM 719 N THR A 48 -1.498 11.858 -0.576 1.00 0.00 N ATOM 720 CA THR A 48 -2.073 11.292 0.675 1.00 0.00 C ATOM 721 C THR A 48 -2.202 9.796 0.475 1.00 0.00 C ATOM 722 O THR A 48 -1.590 8.999 1.151 1.00 0.00 O ATOM 723 CB THR A 48 -3.479 11.851 0.928 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.902 12.594 -0.207 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.460 12.760 2.158 1.00 0.00 C ATOM 0 H THR A 48 -2.165 11.997 -1.335 1.00 0.00 H new ATOM 0 HA THR A 48 -1.430 11.546 1.518 1.00 0.00 H new ATOM 0 HB THR A 48 -4.170 11.027 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.801 12.951 -0.048 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.461 13.155 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.137 12.188 3.028 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.769 13.586 1.990 1.00 0.00 H new ATOM 830 N LEU A 56 -12.620 -0.371 0.530 1.00 0.00 N ATOM 831 CA LEU A 56 -11.146 -0.377 0.691 1.00 0.00 C ATOM 832 C LEU A 56 -10.729 0.455 1.901 1.00 0.00 C ATOM 833 O LEU A 56 -11.426 1.353 2.327 1.00 0.00 O ATOM 834 CB LEU A 56 -10.539 0.236 -0.571 1.00 0.00 C ATOM 835 CG LEU A 56 -9.022 0.129 -0.530 1.00 0.00 C ATOM 836 CD1 LEU A 56 -8.621 -1.292 -0.897 1.00 0.00 C ATOM 837 CD2 LEU A 56 -8.416 1.110 -1.536 1.00 0.00 C ATOM 0 HA LEU A 56 -10.798 -1.399 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.923 -0.276 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.835 1.282 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.658 0.369 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.535 -1.382 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.060 -1.990 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.981 -1.524 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.329 1.035 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.771 0.869 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.716 2.126 -1.279 1.00 0.00 H new ATOM 849 N THR A 57 -9.575 0.172 2.432 1.00 0.00 N ATOM 850 CA THR A 57 -9.072 0.952 3.593 1.00 0.00 C ATOM 851 C THR A 57 -7.783 1.644 3.158 1.00 0.00 C ATOM 852 O THR A 57 -6.855 1.000 2.704 1.00 0.00 O ATOM 853 CB THR A 57 -8.790 0.007 4.767 1.00 0.00 C ATOM 854 OG1 THR A 57 -10.014 -0.338 5.400 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.868 0.692 5.779 1.00 0.00 C ATOM 0 H THR A 57 -8.955 -0.571 2.109 1.00 0.00 H new ATOM 0 HA THR A 57 -9.810 1.687 3.914 1.00 0.00 H new ATOM 0 HB THR A 57 -8.304 -0.894 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.835 -0.943 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.672 0.014 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.927 0.954 5.295 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.347 1.597 6.154 1.00 0.00 H new ATOM 863 N VAL A 58 -7.714 2.944 3.263 1.00 0.00 N ATOM 864 CA VAL A 58 -6.478 3.634 2.823 1.00 0.00 C ATOM 865 C VAL A 58 -5.487 3.754 3.965 1.00 0.00 C ATOM 866 O VAL A 58 -5.843 3.970 5.105 1.00 0.00 O ATOM 867 CB VAL A 58 -6.751 5.055 2.327 1.00 0.00 C ATOM 868 CG1 VAL A 58 -6.180 5.200 0.925 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.246 5.369 2.304 1.00 0.00 C ATOM 0 H VAL A 58 -8.451 3.547 3.629 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.077 3.027 2.012 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.276 5.757 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.368 6.209 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.106 5.016 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.657 4.479 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.398 6.387 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.754 4.671 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.653 5.273 3.310 1.00 0.00 H new ATOM 879 N PHE A 59 -4.238 3.676 3.638 1.00 0.00 N ATOM 880 CA PHE A 59 -3.183 3.849 4.663 1.00 0.00 C ATOM 881 C PHE A 59 -2.040 4.606 4.007 1.00 0.00 C ATOM 882 O PHE A 59 -1.685 4.343 2.875 1.00 0.00 O ATOM 883 CB PHE A 59 -2.682 2.498 5.172 1.00 0.00 C ATOM 884 CG PHE A 59 -1.399 2.707 5.949 1.00 0.00 C ATOM 885 CD1 PHE A 59 -0.200 2.963 5.270 1.00 0.00 C ATOM 886 CD2 PHE A 59 -1.412 2.656 7.348 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.983 3.167 5.987 1.00 0.00 C ATOM 888 CE2 PHE A 59 -0.226 2.858 8.066 1.00 0.00 C ATOM 889 CZ PHE A 59 0.971 3.114 7.386 1.00 0.00 C ATOM 0 H PHE A 59 -3.897 3.498 2.694 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.581 4.394 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.435 2.033 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.509 1.821 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.190 3.003 4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.335 2.461 7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.906 3.365 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.235 2.816 9.145 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.885 3.270 7.940 1.00 0.00 H new ATOM 899 N CYS A 60 -1.463 5.549 4.684 1.00 0.00 N ATOM 900 CA CYS A 60 -0.358 6.307 4.052 1.00 0.00 C ATOM 901 C CYS A 60 0.779 6.495 5.048 1.00 0.00 C ATOM 902 O CYS A 60 0.707 6.068 6.184 1.00 0.00 O ATOM 903 CB CYS A 60 -0.867 7.674 3.580 1.00 0.00 C ATOM 904 SG CYS A 60 -2.632 7.563 3.183 1.00 0.00 S ATOM 0 H CYS A 60 -1.704 5.826 5.636 1.00 0.00 H new ATOM 0 HA CYS A 60 0.011 5.747 3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.705 8.421 4.357 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.307 7.999 2.703 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.853 8.117 2.028 1.00 0.00 H new ATOM 909 N CYS A 61 1.832 7.129 4.625 1.00 0.00 N ATOM 910 CA CYS A 61 2.987 7.345 5.537 1.00 0.00 C ATOM 911 C CYS A 61 3.797 8.549 5.049 1.00 0.00 C ATOM 912 O CYS A 61 4.245 8.591 3.921 1.00 0.00 O ATOM 913 CB CYS A 61 3.871 6.096 5.538 1.00 0.00 C ATOM 914 SG CYS A 61 3.669 5.205 7.101 1.00 0.00 S ATOM 0 H CYS A 61 1.944 7.508 3.685 1.00 0.00 H new ATOM 0 HA CYS A 61 2.628 7.535 6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.604 5.449 4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.915 6.378 5.401 1.00 0.00 H new ATOM 919 N THR A 62 3.985 9.528 5.890 1.00 0.00 N ATOM 920 CA THR A 62 4.764 10.729 5.472 1.00 0.00 C ATOM 921 C THR A 62 6.193 10.623 6.003 1.00 0.00 C ATOM 922 O THR A 62 6.627 11.424 6.809 1.00 0.00 O ATOM 923 CB THR A 62 4.106 11.989 6.038 1.00 0.00 C ATOM 924 OG1 THR A 62 4.251 11.999 7.452 1.00 0.00 O ATOM 925 CG2 THR A 62 2.620 12.001 5.674 1.00 0.00 C ATOM 0 H THR A 62 3.634 9.549 6.847 1.00 0.00 H new ATOM 0 HA THR A 62 4.783 10.785 4.384 1.00 0.00 H new ATOM 0 HB THR A 62 4.586 12.872 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.202 12.044 7.683 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.154 12.899 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.511 11.992 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.135 11.120 6.095 1.00 0.00 H new ATOM 933 N THR A 63 6.931 9.645 5.559 1.00 0.00 N ATOM 934 CA THR A 63 8.332 9.494 6.040 1.00 0.00 C ATOM 935 C THR A 63 9.167 8.803 4.965 1.00 0.00 C ATOM 936 O THR A 63 8.887 8.897 3.787 1.00 0.00 O ATOM 937 CB THR A 63 8.360 8.641 7.312 1.00 0.00 C ATOM 938 OG1 THR A 63 8.543 7.277 6.961 1.00 0.00 O ATOM 939 CG2 THR A 63 7.046 8.793 8.069 1.00 0.00 C ATOM 0 H THR A 63 6.625 8.944 4.884 1.00 0.00 H new ATOM 0 HA THR A 63 8.741 10.482 6.254 1.00 0.00 H new ATOM 0 HB THR A 63 9.181 8.973 7.947 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.563 6.730 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.074 8.183 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.902 9.839 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.221 8.466 7.436 1.00 0.00 H new ATOM 947 N ASP A 64 10.183 8.097 5.367 1.00 0.00 N ATOM 948 CA ASP A 64 11.035 7.385 4.377 1.00 0.00 C ATOM 949 C ASP A 64 10.618 5.915 4.336 1.00 0.00 C ATOM 950 O ASP A 64 10.290 5.343 5.355 1.00 0.00 O ATOM 951 CB ASP A 64 12.505 7.491 4.790 1.00 0.00 C ATOM 952 CG ASP A 64 12.620 7.359 6.310 1.00 0.00 C ATOM 953 OD1 ASP A 64 12.005 6.458 6.855 1.00 0.00 O ATOM 954 OD2 ASP A 64 13.321 8.163 6.902 1.00 0.00 O ATOM 0 H ASP A 64 10.462 7.981 6.341 1.00 0.00 H new ATOM 0 HA ASP A 64 10.910 7.834 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.088 6.710 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.917 8.447 4.465 1.00 0.00 H new ATOM 959 N ASN A 65 10.630 5.315 3.165 1.00 0.00 N ATOM 960 CA ASN A 65 10.233 3.877 3.009 1.00 0.00 C ATOM 961 C ASN A 65 9.398 3.403 4.204 1.00 0.00 C ATOM 962 O ASN A 65 9.863 2.645 5.033 1.00 0.00 O ATOM 963 CB ASN A 65 11.494 3.016 2.898 1.00 0.00 C ATOM 964 CG ASN A 65 12.500 3.699 1.969 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.155 4.114 0.881 1.00 0.00 O ATOM 966 ND2 ASN A 65 13.740 3.836 2.357 1.00 0.00 N ATOM 0 H ASN A 65 10.904 5.772 2.295 1.00 0.00 H new ATOM 0 HA ASN A 65 9.628 3.780 2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.935 2.870 3.884 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.240 2.028 2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.418 4.291 1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.030 3.488 3.271 1.00 0.00 H new ATOM 973 N CYS A 66 8.175 3.849 4.314 1.00 0.00 N ATOM 974 CA CYS A 66 7.337 3.427 5.470 1.00 0.00 C ATOM 975 C CYS A 66 6.696 2.068 5.177 1.00 0.00 C ATOM 976 O CYS A 66 7.396 1.079 5.096 1.00 0.00 O ATOM 977 CB CYS A 66 6.269 4.495 5.741 1.00 0.00 C ATOM 978 SG CYS A 66 5.331 4.063 7.228 1.00 0.00 S ATOM 0 H CYS A 66 7.723 4.484 3.656 1.00 0.00 H new ATOM 0 HA CYS A 66 7.958 3.324 6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.740 5.470 5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.597 4.575 4.887 1.00 0.00 H new ATOM 983 N ASN A 67 5.385 2.017 5.025 1.00 0.00 N ATOM 984 CA ASN A 67 4.667 0.721 4.747 1.00 0.00 C ATOM 985 C ASN A 67 5.594 -0.480 4.981 1.00 0.00 C ATOM 986 O ASN A 67 5.624 -1.049 6.052 1.00 0.00 O ATOM 987 CB ASN A 67 4.148 0.718 3.303 1.00 0.00 C ATOM 988 CG ASN A 67 5.078 1.536 2.405 1.00 0.00 C ATOM 989 OD1 ASN A 67 6.249 1.685 2.689 1.00 0.00 O ATOM 990 ND2 ASN A 67 4.601 2.076 1.316 1.00 0.00 N ATOM 0 H ASN A 67 4.774 2.832 5.083 1.00 0.00 H new ATOM 0 HA ASN A 67 3.824 0.635 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.083 -0.306 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.141 1.133 3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.212 2.621 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.618 1.953 1.074 1.00 0.00 H new ATOM 997 N HIS A 68 6.374 -0.838 3.999 1.00 0.00 N ATOM 998 CA HIS A 68 7.339 -1.969 4.156 1.00 0.00 C ATOM 999 C HIS A 68 8.082 -2.174 2.838 1.00 0.00 C ATOM 1000 O HIS A 68 7.421 -2.318 1.825 1.00 0.00 O ATOM 1001 CB HIS A 68 6.634 -3.278 4.555 1.00 0.00 C ATOM 1002 CG HIS A 68 6.851 -3.511 6.030 1.00 0.00 C ATOM 1003 ND1 HIS A 68 6.611 -4.735 6.635 1.00 0.00 N ATOM 1004 CD2 HIS A 68 7.302 -2.685 7.030 1.00 0.00 C ATOM 1005 CE1 HIS A 68 6.916 -4.611 7.939 1.00 0.00 C ATOM 1006 NE2 HIS A 68 7.342 -3.381 8.234 1.00 0.00 N ATOM 1007 OXT HIS A 68 9.302 -2.185 2.866 1.00 0.00 O ATOM 0 H HIS A 68 6.386 -0.391 3.082 1.00 0.00 H new ATOM 0 HA HIS A 68 8.034 -1.712 4.955 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.568 -3.216 4.334 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.031 -4.113 3.978 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.266 -5.577 6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.583 -1.650 6.901 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.827 -5.410 8.660 1.00 0.00 H new