USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=17 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 Single : A 1 MET CE :methyl -156:sc= -4.08! (180deg=-5.02!) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.755 (180deg=-2.48!) USER MOD Single : A 2 GLN : amide:sc= -0.521 K(o=-0.52,f=-2.9!) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= -1.36 (180deg=-1.44) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 36:sc= 1.04 USER MOD Single : A 13 ASN : amide:sc= -0.0428 K(o=-0.043,f=-2.2!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 22 ASN : amide:sc= -3.86! C(o=-3.9!,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -1.92! USER MOD Single : A 30 THR OG1 : rot 75:sc= 0.0964 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 41:sc= 0.188 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 65 ASN : amide:sc= -2.92! C(o=-2.9!,f=-1.9!) USER MOD Single : A 67 ASN : amide:sc= -7.41! C(o=-7.4!,f=-5.5!) USER MOD Single : A 68 HIS : no HD1:sc= -0.442 K(o=-0.44,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.940 12.811 -1.857 1.00 0.00 N ATOM 2 CA MET A 1 10.010 11.954 -1.067 1.00 0.00 C ATOM 3 C MET A 1 10.511 10.514 -1.068 1.00 0.00 C ATOM 4 O MET A 1 11.376 10.144 -1.836 1.00 0.00 O ATOM 5 CB MET A 1 8.615 11.983 -1.689 1.00 0.00 C ATOM 6 CG MET A 1 8.677 11.435 -3.116 1.00 0.00 C ATOM 7 SD MET A 1 9.369 12.684 -4.227 1.00 0.00 S ATOM 8 CE MET A 1 10.748 11.689 -4.849 1.00 0.00 C ATOM 0 H1 MET A 1 11.142 13.684 -1.328 1.00 0.00 H new ATOM 0 H2 MET A 1 11.827 12.296 -2.026 1.00 0.00 H new ATOM 0 H3 MET A 1 10.500 13.052 -2.768 1.00 0.00 H new ATOM 0 HA MET A 1 9.967 12.336 -0.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.926 11.387 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.231 13.003 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.289 10.534 -3.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.679 11.152 -3.450 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.540 12.348 -5.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.133 11.059 -4.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.402 11.061 -5.670 1.00 0.00 H new ATOM 20 N GLN A 2 9.961 9.696 -0.218 1.00 0.00 N ATOM 21 CA GLN A 2 10.385 8.278 -0.164 1.00 0.00 C ATOM 22 C GLN A 2 9.293 7.468 0.519 1.00 0.00 C ATOM 23 O GLN A 2 8.958 7.700 1.662 1.00 0.00 O ATOM 24 CB GLN A 2 11.693 8.128 0.630 1.00 0.00 C ATOM 25 CG GLN A 2 12.338 9.498 0.845 1.00 0.00 C ATOM 26 CD GLN A 2 13.379 9.410 1.964 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.684 8.337 2.444 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.939 10.503 2.405 1.00 0.00 N ATOM 0 H GLN A 2 9.230 9.954 0.445 1.00 0.00 H new ATOM 0 HA GLN A 2 10.553 7.920 -1.180 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.491 7.657 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.380 7.474 0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.810 9.837 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.575 10.233 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 2 13.684 11.405 2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.632 10.455 3.152 1.00 0.00 H new ATOM 37 N CYS A 3 8.744 6.510 -0.161 1.00 0.00 N ATOM 38 CA CYS A 3 7.689 5.684 0.474 1.00 0.00 C ATOM 39 C CYS A 3 8.001 4.201 0.207 1.00 0.00 C ATOM 40 O CYS A 3 8.390 3.829 -0.881 1.00 0.00 O ATOM 41 CB CYS A 3 6.282 6.080 -0.065 1.00 0.00 C ATOM 42 SG CYS A 3 5.541 4.723 -1.011 1.00 0.00 S ATOM 0 H CYS A 3 8.977 6.263 -1.123 1.00 0.00 H new ATOM 0 HA CYS A 3 7.676 5.857 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.631 6.345 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.367 6.964 -0.697 1.00 0.00 H new ATOM 47 N LYS A 4 7.826 3.354 1.184 1.00 0.00 N ATOM 48 CA LYS A 4 8.115 1.905 0.975 1.00 0.00 C ATOM 49 C LYS A 4 6.977 1.263 0.175 1.00 0.00 C ATOM 50 O LYS A 4 5.876 1.103 0.662 1.00 0.00 O ATOM 51 CB LYS A 4 8.243 1.209 2.332 1.00 0.00 C ATOM 52 CG LYS A 4 9.684 0.732 2.526 1.00 0.00 C ATOM 53 CD LYS A 4 9.981 -0.406 1.549 1.00 0.00 C ATOM 54 CE LYS A 4 8.981 -1.543 1.769 1.00 0.00 C ATOM 55 NZ LYS A 4 8.790 -1.761 3.230 1.00 0.00 N ATOM 0 H LYS A 4 7.496 3.601 2.117 1.00 0.00 H new ATOM 0 HA LYS A 4 9.049 1.799 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.965 1.895 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.558 0.363 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.377 1.557 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.831 0.393 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.916 -0.044 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.998 -0.769 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.028 -1.299 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.344 -2.457 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.123 -2.545 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.704 -1.995 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.409 -0.896 3.663 1.00 0.00 H new ATOM 69 N THR A 5 7.235 0.894 -1.052 1.00 0.00 N ATOM 70 CA THR A 5 6.169 0.267 -1.886 1.00 0.00 C ATOM 71 C THR A 5 6.581 -1.156 -2.270 1.00 0.00 C ATOM 72 O THR A 5 6.734 -1.478 -3.431 1.00 0.00 O ATOM 73 CB THR A 5 5.964 1.097 -3.155 1.00 0.00 C ATOM 74 OG1 THR A 5 7.224 1.540 -3.637 1.00 0.00 O ATOM 75 CG2 THR A 5 5.083 2.304 -2.836 1.00 0.00 C ATOM 0 H THR A 5 8.139 1.000 -1.513 1.00 0.00 H new ATOM 0 HA THR A 5 5.240 0.231 -1.317 1.00 0.00 H new ATOM 0 HB THR A 5 5.479 0.487 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.095 2.070 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.936 2.896 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.117 1.961 -2.466 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.567 2.917 -2.075 1.00 0.00 H new ATOM 83 N CYS A 6 6.756 -2.011 -1.300 1.00 0.00 N ATOM 84 CA CYS A 6 7.153 -3.413 -1.604 1.00 0.00 C ATOM 85 C CYS A 6 5.957 -4.163 -2.201 1.00 0.00 C ATOM 86 O CYS A 6 5.188 -3.610 -2.962 1.00 0.00 O ATOM 87 CB CYS A 6 7.607 -4.097 -0.312 1.00 0.00 C ATOM 88 SG CYS A 6 8.942 -5.260 -0.683 1.00 0.00 S ATOM 0 H CYS A 6 6.641 -1.798 -0.309 1.00 0.00 H new ATOM 0 HA CYS A 6 7.972 -3.419 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.949 -3.352 0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.770 -4.622 0.148 1.00 0.00 H new ATOM 93 N SER A 7 5.790 -5.414 -1.866 1.00 0.00 N ATOM 94 CA SER A 7 4.641 -6.185 -2.423 1.00 0.00 C ATOM 95 C SER A 7 4.140 -7.183 -1.377 1.00 0.00 C ATOM 96 O SER A 7 2.953 -7.403 -1.236 1.00 0.00 O ATOM 97 CB SER A 7 5.091 -6.940 -3.674 1.00 0.00 C ATOM 98 OG SER A 7 4.042 -7.795 -4.109 1.00 0.00 O ATOM 0 H SER A 7 6.397 -5.934 -1.233 1.00 0.00 H new ATOM 0 HA SER A 7 3.836 -5.498 -2.684 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.353 -6.236 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.986 -7.524 -3.458 1.00 0.00 H new ATOM 0 HG SER A 7 4.327 -8.280 -4.912 1.00 0.00 H new ATOM 104 N PHE A 8 5.032 -7.788 -0.643 1.00 0.00 N ATOM 105 CA PHE A 8 4.602 -8.768 0.391 1.00 0.00 C ATOM 106 C PHE A 8 3.834 -8.036 1.494 1.00 0.00 C ATOM 107 O PHE A 8 3.727 -6.826 1.490 1.00 0.00 O ATOM 108 CB PHE A 8 5.834 -9.454 0.986 1.00 0.00 C ATOM 109 CG PHE A 8 6.107 -10.737 0.237 1.00 0.00 C ATOM 110 CD1 PHE A 8 6.129 -10.737 -1.164 1.00 0.00 C ATOM 111 CD2 PHE A 8 6.336 -11.924 0.941 1.00 0.00 C ATOM 112 CE1 PHE A 8 6.381 -11.926 -1.860 1.00 0.00 C ATOM 113 CE2 PHE A 8 6.589 -13.113 0.244 1.00 0.00 C ATOM 114 CZ PHE A 8 6.610 -13.113 -1.156 1.00 0.00 C ATOM 0 H PHE A 8 6.039 -7.646 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 8 3.956 -9.520 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 8 6.698 -8.792 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.671 -9.665 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.952 -9.820 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.318 -11.924 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.399 -11.926 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.768 -14.029 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.803 -14.030 -1.693 1.00 0.00 H new ATOM 124 N TYR A 9 3.297 -8.760 2.436 1.00 0.00 N ATOM 125 CA TYR A 9 2.534 -8.103 3.534 1.00 0.00 C ATOM 126 C TYR A 9 3.458 -7.156 4.302 1.00 0.00 C ATOM 127 O TYR A 9 3.010 -6.330 5.072 1.00 0.00 O ATOM 128 CB TYR A 9 1.981 -9.178 4.480 1.00 0.00 C ATOM 129 CG TYR A 9 1.618 -8.559 5.811 1.00 0.00 C ATOM 130 CD1 TYR A 9 0.611 -7.590 5.884 1.00 0.00 C ATOM 131 CD2 TYR A 9 2.294 -8.953 6.973 1.00 0.00 C ATOM 132 CE1 TYR A 9 0.278 -7.016 7.116 1.00 0.00 C ATOM 133 CE2 TYR A 9 1.963 -8.379 8.205 1.00 0.00 C ATOM 134 CZ TYR A 9 0.954 -7.411 8.278 1.00 0.00 C ATOM 135 OH TYR A 9 0.626 -6.845 9.492 1.00 0.00 O ATOM 0 H TYR A 9 3.353 -9.777 2.493 1.00 0.00 H new ATOM 0 HA TYR A 9 1.706 -7.531 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.103 -9.647 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.723 -9.963 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.090 -7.285 4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.071 -9.701 6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.500 -6.269 7.171 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.486 -8.683 9.100 1.00 0.00 H new ATOM 0 HH TYR A 9 1.189 -7.231 10.196 1.00 0.00 H new ATOM 145 N THR A 10 4.741 -7.268 4.107 1.00 0.00 N ATOM 146 CA THR A 10 5.677 -6.370 4.838 1.00 0.00 C ATOM 147 C THR A 10 7.077 -6.488 4.238 1.00 0.00 C ATOM 148 O THR A 10 7.475 -7.532 3.763 1.00 0.00 O ATOM 149 CB THR A 10 5.726 -6.785 6.308 1.00 0.00 C ATOM 150 OG1 THR A 10 6.778 -6.089 6.961 1.00 0.00 O ATOM 151 CG2 THR A 10 5.974 -8.291 6.396 1.00 0.00 C ATOM 0 H THR A 10 5.181 -7.939 3.477 1.00 0.00 H new ATOM 0 HA THR A 10 5.331 -5.340 4.753 1.00 0.00 H new ATOM 0 HB THR A 10 4.780 -6.542 6.791 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.845 -5.181 6.597 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.010 -8.593 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.167 -8.823 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.922 -8.532 5.916 1.00 0.00 H new ATOM 159 N CYS A 11 7.830 -5.425 4.266 1.00 0.00 N ATOM 160 CA CYS A 11 9.208 -5.477 3.708 1.00 0.00 C ATOM 161 C CYS A 11 10.149 -4.680 4.619 1.00 0.00 C ATOM 162 O CYS A 11 9.894 -3.527 4.905 1.00 0.00 O ATOM 163 CB CYS A 11 9.215 -4.865 2.306 1.00 0.00 C ATOM 164 SG CYS A 11 9.293 -6.191 1.075 1.00 0.00 S ATOM 0 H CYS A 11 7.551 -4.523 4.651 1.00 0.00 H new ATOM 0 HA CYS A 11 9.542 -6.513 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.318 -4.265 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.069 -4.197 2.192 1.00 0.00 H new ATOM 169 N PRO A 12 11.212 -5.313 5.047 1.00 0.00 N ATOM 170 CA PRO A 12 12.206 -4.677 5.927 1.00 0.00 C ATOM 171 C PRO A 12 13.081 -3.725 5.114 1.00 0.00 C ATOM 172 O PRO A 12 13.820 -2.926 5.654 1.00 0.00 O ATOM 173 CB PRO A 12 13.021 -5.857 6.466 1.00 0.00 C ATOM 174 CG PRO A 12 12.826 -7.013 5.459 1.00 0.00 C ATOM 175 CD PRO A 12 11.525 -6.711 4.693 1.00 0.00 C ATOM 0 HA PRO A 12 11.765 -4.082 6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.075 -5.593 6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.678 -6.145 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.672 -7.079 4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.759 -7.970 5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.660 -6.829 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.722 -7.386 4.990 1.00 0.00 H new ATOM 183 N ASN A 13 12.998 -3.807 3.815 1.00 0.00 N ATOM 184 CA ASN A 13 13.821 -2.908 2.957 1.00 0.00 C ATOM 185 C ASN A 13 13.153 -1.533 2.864 1.00 0.00 C ATOM 186 O ASN A 13 12.147 -1.275 3.496 1.00 0.00 O ATOM 187 CB ASN A 13 13.937 -3.508 1.554 1.00 0.00 C ATOM 188 CG ASN A 13 14.773 -4.787 1.613 1.00 0.00 C ATOM 189 OD1 ASN A 13 15.184 -5.210 2.674 1.00 0.00 O ATOM 190 ND2 ASN A 13 15.045 -5.422 0.507 1.00 0.00 N ATOM 0 H ASN A 13 12.396 -4.457 3.310 1.00 0.00 H new ATOM 0 HA ASN A 13 14.814 -2.802 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.946 -3.727 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.399 -2.790 0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.604 -6.275 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.699 -5.066 -0.384 1.00 0.00 H new ATOM 197 N SER A 14 13.705 -0.649 2.079 1.00 0.00 N ATOM 198 CA SER A 14 13.106 0.710 1.935 1.00 0.00 C ATOM 199 C SER A 14 13.011 1.056 0.449 1.00 0.00 C ATOM 200 O SER A 14 13.588 0.387 -0.387 1.00 0.00 O ATOM 201 CB SER A 14 13.989 1.736 2.646 1.00 0.00 C ATOM 202 OG SER A 14 14.387 1.218 3.909 1.00 0.00 O ATOM 0 H SER A 14 14.549 -0.809 1.529 1.00 0.00 H new ATOM 0 HA SER A 14 12.111 0.725 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.866 1.961 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.445 2.671 2.779 1.00 0.00 H new ATOM 0 HG SER A 14 14.955 1.873 4.367 1.00 0.00 H new ATOM 208 N GLU A 15 12.289 2.087 0.101 1.00 0.00 N ATOM 209 CA GLU A 15 12.175 2.442 -1.340 1.00 0.00 C ATOM 210 C GLU A 15 11.721 3.895 -1.509 1.00 0.00 C ATOM 211 O GLU A 15 10.631 4.274 -1.129 1.00 0.00 O ATOM 212 CB GLU A 15 11.160 1.516 -2.013 1.00 0.00 C ATOM 213 CG GLU A 15 11.819 0.824 -3.208 1.00 0.00 C ATOM 214 CD GLU A 15 10.960 -0.364 -3.649 1.00 0.00 C ATOM 215 OE1 GLU A 15 11.033 -1.395 -3.001 1.00 0.00 O ATOM 216 OE2 GLU A 15 10.246 -0.223 -4.627 1.00 0.00 O ATOM 0 H GLU A 15 11.779 2.692 0.745 1.00 0.00 H new ATOM 0 HA GLU A 15 13.155 2.326 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.801 0.773 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.292 2.087 -2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.934 1.529 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.819 0.483 -2.938 1.00 0.00 H new ATOM 223 N THR A 16 12.548 4.705 -2.100 1.00 0.00 N ATOM 224 CA THR A 16 12.170 6.124 -2.327 1.00 0.00 C ATOM 225 C THR A 16 11.138 6.173 -3.458 1.00 0.00 C ATOM 226 O THR A 16 10.969 5.218 -4.189 1.00 0.00 O ATOM 227 CB THR A 16 13.415 6.914 -2.734 1.00 0.00 C ATOM 228 OG1 THR A 16 14.564 6.322 -2.144 1.00 0.00 O ATOM 229 CG2 THR A 16 13.280 8.358 -2.256 1.00 0.00 C ATOM 0 H THR A 16 13.475 4.445 -2.438 1.00 0.00 H new ATOM 0 HA THR A 16 11.749 6.557 -1.419 1.00 0.00 H new ATOM 0 HB THR A 16 13.517 6.900 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.363 6.826 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.167 8.922 -2.546 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.398 8.811 -2.710 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.178 8.374 -1.171 1.00 0.00 H new ATOM 237 N CYS A 17 10.444 7.268 -3.618 1.00 0.00 N ATOM 238 CA CYS A 17 9.434 7.337 -4.715 1.00 0.00 C ATOM 239 C CYS A 17 10.045 8.046 -5.927 1.00 0.00 C ATOM 240 O CYS A 17 10.868 8.928 -5.778 1.00 0.00 O ATOM 241 CB CYS A 17 8.200 8.112 -4.251 1.00 0.00 C ATOM 242 SG CYS A 17 7.227 7.104 -3.116 1.00 0.00 S ATOM 0 H CYS A 17 10.530 8.108 -3.045 1.00 0.00 H new ATOM 0 HA CYS A 17 9.139 6.323 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.505 9.036 -3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.593 8.394 -5.111 1.00 0.00 H new ATOM 247 N PRO A 18 9.622 7.635 -7.096 1.00 0.00 N ATOM 248 CA PRO A 18 10.106 8.208 -8.363 1.00 0.00 C ATOM 249 C PRO A 18 9.424 9.549 -8.646 1.00 0.00 C ATOM 250 O PRO A 18 8.403 9.872 -8.070 1.00 0.00 O ATOM 251 CB PRO A 18 9.700 7.164 -9.406 1.00 0.00 C ATOM 252 CG PRO A 18 8.536 6.354 -8.784 1.00 0.00 C ATOM 253 CD PRO A 18 8.621 6.561 -7.261 1.00 0.00 C ATOM 0 HA PRO A 18 11.177 8.409 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.387 7.643 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.539 6.513 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.576 6.698 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.621 5.297 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.656 6.849 -6.844 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.929 5.648 -6.752 1.00 0.00 H new ATOM 261 N ASP A 19 9.977 10.328 -9.535 1.00 0.00 N ATOM 262 CA ASP A 19 9.361 11.645 -9.865 1.00 0.00 C ATOM 263 C ASP A 19 9.144 12.454 -8.583 1.00 0.00 C ATOM 264 O ASP A 19 9.650 12.117 -7.533 1.00 0.00 O ATOM 265 CB ASP A 19 8.017 11.415 -10.558 1.00 0.00 C ATOM 266 CG ASP A 19 8.236 10.593 -11.830 1.00 0.00 C ATOM 267 OD1 ASP A 19 8.549 11.187 -12.848 1.00 0.00 O ATOM 268 OD2 ASP A 19 8.090 9.384 -11.762 1.00 0.00 O ATOM 0 H ASP A 19 10.831 10.109 -10.048 1.00 0.00 H new ATOM 0 HA ASP A 19 10.026 12.198 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.334 10.893 -9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.554 12.371 -10.804 1.00 0.00 H new ATOM 273 N GLY A 20 8.397 13.523 -8.663 1.00 0.00 N ATOM 274 CA GLY A 20 8.153 14.355 -7.452 1.00 0.00 C ATOM 275 C GLY A 20 6.910 13.848 -6.718 1.00 0.00 C ATOM 276 O GLY A 20 6.006 14.602 -6.418 1.00 0.00 O ATOM 0 H GLY A 20 7.946 13.855 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.019 14.315 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.018 15.398 -7.737 1.00 0.00 H new ATOM 280 N LYS A 21 6.857 12.578 -6.420 1.00 0.00 N ATOM 281 CA LYS A 21 5.676 12.039 -5.701 1.00 0.00 C ATOM 282 C LYS A 21 5.806 12.357 -4.220 1.00 0.00 C ATOM 283 O LYS A 21 6.532 13.255 -3.847 1.00 0.00 O ATOM 284 CB LYS A 21 5.588 10.537 -5.906 1.00 0.00 C ATOM 285 CG LYS A 21 4.157 10.194 -6.292 1.00 0.00 C ATOM 286 CD LYS A 21 4.028 8.694 -6.469 1.00 0.00 C ATOM 287 CE LYS A 21 3.944 8.357 -7.961 1.00 0.00 C ATOM 288 NZ LYS A 21 5.316 8.324 -8.544 1.00 0.00 N ATOM 0 H LYS A 21 7.580 11.895 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 21 4.768 12.499 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.279 10.219 -6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.872 10.011 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.468 10.541 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.886 10.705 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.884 8.190 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.138 8.332 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.456 7.392 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.336 9.099 -8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.273 7.948 -9.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.708 9.287 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.925 7.713 -7.963 1.00 0.00 H new ATOM 302 N ASN A 22 5.114 11.662 -3.355 1.00 0.00 N ATOM 303 CA ASN A 22 5.265 12.035 -1.915 1.00 0.00 C ATOM 304 C ASN A 22 4.533 11.110 -0.931 1.00 0.00 C ATOM 305 O ASN A 22 4.397 11.463 0.224 1.00 0.00 O ATOM 306 CB ASN A 22 4.712 13.448 -1.726 1.00 0.00 C ATOM 307 CG ASN A 22 5.867 14.446 -1.624 1.00 0.00 C ATOM 308 OD1 ASN A 22 6.580 14.473 -0.641 1.00 0.00 O ATOM 309 ND2 ASN A 22 6.083 15.277 -2.610 1.00 0.00 N ATOM 0 H ASN A 22 4.481 10.890 -3.565 1.00 0.00 H new ATOM 0 HA ASN A 22 6.328 11.953 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.065 13.710 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.101 13.492 -0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.850 15.947 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.485 15.255 -3.436 1.00 0.00 H new ATOM 316 N ILE A 23 4.043 9.959 -1.302 1.00 0.00 N ATOM 317 CA ILE A 23 3.342 9.164 -0.251 1.00 0.00 C ATOM 318 C ILE A 23 3.350 7.662 -0.537 1.00 0.00 C ATOM 319 O ILE A 23 3.702 7.203 -1.596 1.00 0.00 O ATOM 320 CB ILE A 23 1.895 9.666 -0.143 1.00 0.00 C ATOM 321 CG1 ILE A 23 1.701 10.325 1.220 1.00 0.00 C ATOM 322 CG2 ILE A 23 0.898 8.506 -0.292 1.00 0.00 C ATOM 323 CD1 ILE A 23 0.218 10.582 1.449 1.00 0.00 C ATOM 0 H ILE A 23 4.091 9.549 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 23 3.877 9.304 0.688 1.00 0.00 H new ATOM 0 HB ILE A 23 1.711 10.383 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.096 9.682 2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.255 11.262 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.120 8.888 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.032 8.033 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.073 7.772 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.076 11.053 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.162 11.241 0.668 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.324 9.637 1.421 1.00 0.00 H new ATOM 335 N CYS A 24 2.898 6.907 0.425 1.00 0.00 N ATOM 336 CA CYS A 24 2.805 5.439 0.259 1.00 0.00 C ATOM 337 C CYS A 24 1.363 5.021 0.450 1.00 0.00 C ATOM 338 O CYS A 24 0.908 4.827 1.559 1.00 0.00 O ATOM 339 CB CYS A 24 3.661 4.750 1.303 1.00 0.00 C ATOM 340 SG CYS A 24 4.757 3.589 0.456 1.00 0.00 S ATOM 0 H CYS A 24 2.586 7.255 1.331 1.00 0.00 H new ATOM 0 HA CYS A 24 3.154 5.159 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.242 5.483 1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.034 4.225 2.023 1.00 0.00 H new ATOM 345 N VAL A 25 0.640 4.889 -0.618 1.00 0.00 N ATOM 346 CA VAL A 25 -0.780 4.492 -0.502 1.00 0.00 C ATOM 347 C VAL A 25 -0.894 2.976 -0.681 1.00 0.00 C ATOM 348 O VAL A 25 -0.667 2.440 -1.748 1.00 0.00 O ATOM 349 CB VAL A 25 -1.590 5.237 -1.566 1.00 0.00 C ATOM 350 CG1 VAL A 25 -1.066 6.668 -1.693 1.00 0.00 C ATOM 351 CG2 VAL A 25 -1.469 4.538 -2.919 1.00 0.00 C ATOM 0 H VAL A 25 0.973 5.040 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.173 4.752 0.481 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.637 5.246 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.642 7.200 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.167 7.179 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.016 6.646 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.051 5.082 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.423 4.514 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.846 3.519 -2.837 1.00 0.00 H new ATOM 361 N LYS A 26 -1.228 2.277 0.366 1.00 0.00 N ATOM 362 CA LYS A 26 -1.343 0.798 0.268 1.00 0.00 C ATOM 363 C LYS A 26 -2.763 0.420 -0.149 1.00 0.00 C ATOM 364 O LYS A 26 -3.639 1.253 -0.229 1.00 0.00 O ATOM 365 CB LYS A 26 -1.025 0.174 1.629 1.00 0.00 C ATOM 366 CG LYS A 26 -0.173 -1.081 1.432 1.00 0.00 C ATOM 367 CD LYS A 26 0.795 -1.228 2.607 1.00 0.00 C ATOM 368 CE LYS A 26 1.027 -2.713 2.898 1.00 0.00 C ATOM 369 NZ LYS A 26 0.455 -3.053 4.232 1.00 0.00 N ATOM 0 H LYS A 26 -1.427 2.668 1.287 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.639 0.427 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.494 0.892 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.949 -0.079 2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.813 -1.961 1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.382 -1.014 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.742 -0.740 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.390 -0.733 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.561 -3.323 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.094 -2.936 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.612 -4.062 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.919 -2.480 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.566 -2.855 4.233 1.00 0.00 H new ATOM 383 N ARG A 27 -2.988 -0.837 -0.414 1.00 0.00 N ATOM 384 CA ARG A 27 -4.342 -1.309 -0.829 1.00 0.00 C ATOM 385 C ARG A 27 -4.595 -2.675 -0.189 1.00 0.00 C ATOM 386 O ARG A 27 -3.704 -3.496 -0.098 1.00 0.00 O ATOM 387 CB ARG A 27 -4.388 -1.449 -2.352 1.00 0.00 C ATOM 388 CG ARG A 27 -4.813 -0.117 -2.979 1.00 0.00 C ATOM 389 CD ARG A 27 -3.608 0.822 -3.068 1.00 0.00 C ATOM 390 NE ARG A 27 -3.183 0.944 -4.492 1.00 0.00 N ATOM 391 CZ ARG A 27 -3.244 2.100 -5.095 1.00 0.00 C ATOM 392 NH1 ARG A 27 -2.243 2.933 -5.013 1.00 0.00 N ATOM 393 NH2 ARG A 27 -4.307 2.422 -5.782 1.00 0.00 N ATOM 0 H ARG A 27 -2.280 -1.570 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.102 -0.595 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.409 -1.744 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.089 -2.235 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.227 -0.288 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.600 0.342 -2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.866 1.803 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.787 0.437 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.844 0.124 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.412 2.681 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.291 3.836 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.089 1.770 -5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.355 3.325 -6.253 1.00 0.00 H new ATOM 407 N SER A 28 -5.794 -2.935 0.257 1.00 0.00 N ATOM 408 CA SER A 28 -6.069 -4.256 0.887 1.00 0.00 C ATOM 409 C SER A 28 -7.544 -4.606 0.718 1.00 0.00 C ATOM 410 O SER A 28 -8.418 -3.884 1.157 1.00 0.00 O ATOM 411 CB SER A 28 -5.725 -4.198 2.376 1.00 0.00 C ATOM 412 OG SER A 28 -6.890 -3.854 3.113 1.00 0.00 O ATOM 0 H SER A 28 -6.588 -2.296 0.213 1.00 0.00 H new ATOM 0 HA SER A 28 -5.458 -5.019 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.340 -5.162 2.710 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.939 -3.463 2.551 1.00 0.00 H new ATOM 0 HG SER A 28 -6.674 -3.817 4.068 1.00 0.00 H new ATOM 418 N TRP A 29 -7.831 -5.710 0.090 1.00 0.00 N ATOM 419 CA TRP A 29 -9.252 -6.101 -0.100 1.00 0.00 C ATOM 420 C TRP A 29 -9.447 -7.544 0.318 1.00 0.00 C ATOM 421 O TRP A 29 -8.513 -8.313 0.392 1.00 0.00 O ATOM 422 CB TRP A 29 -9.654 -5.968 -1.563 1.00 0.00 C ATOM 423 CG TRP A 29 -8.632 -6.626 -2.441 1.00 0.00 C ATOM 424 CD1 TRP A 29 -8.857 -7.731 -3.190 1.00 0.00 C ATOM 425 CD2 TRP A 29 -7.240 -6.251 -2.678 1.00 0.00 C ATOM 426 NE1 TRP A 29 -7.702 -8.050 -3.879 1.00 0.00 N ATOM 427 CE2 TRP A 29 -6.679 -7.169 -3.598 1.00 0.00 C ATOM 428 CE3 TRP A 29 -6.420 -5.216 -2.197 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -5.355 -7.062 -4.023 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -5.084 -5.103 -2.624 1.00 0.00 C ATOM 431 CH2 TRP A 29 -4.554 -6.025 -3.538 1.00 0.00 C ATOM 0 H TRP A 29 -7.145 -6.357 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.869 -5.441 0.510 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.630 -6.425 -1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.748 -4.915 -1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.788 -8.275 -3.241 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.617 -8.841 -4.518 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.819 -4.501 -1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.951 -7.777 -4.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.464 -4.303 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -3.529 -5.934 -3.866 1.00 0.00 H new ATOM 442 N THR A 30 -10.660 -7.919 0.577 1.00 0.00 N ATOM 443 CA THR A 30 -10.925 -9.314 0.978 1.00 0.00 C ATOM 444 C THR A 30 -11.188 -10.147 -0.265 1.00 0.00 C ATOM 445 O THR A 30 -12.143 -9.931 -0.985 1.00 0.00 O ATOM 446 CB THR A 30 -12.127 -9.366 1.907 1.00 0.00 C ATOM 447 OG1 THR A 30 -12.747 -8.088 1.956 1.00 0.00 O ATOM 448 CG2 THR A 30 -11.639 -9.759 3.293 1.00 0.00 C ATOM 0 H THR A 30 -11.481 -7.316 0.528 1.00 0.00 H new ATOM 0 HA THR A 30 -10.060 -9.714 1.506 1.00 0.00 H new ATOM 0 HB THR A 30 -12.855 -10.093 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.246 -7.935 1.127 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.486 -9.803 3.978 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.159 -10.737 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.922 -9.020 3.649 1.00 0.00 H new ATOM 568 N ARG A 39 -7.335 -11.662 2.146 1.00 0.00 N ATOM 569 CA ARG A 39 -6.927 -10.235 2.148 1.00 0.00 C ATOM 570 C ARG A 39 -5.680 -10.050 1.286 1.00 0.00 C ATOM 571 O ARG A 39 -4.566 -10.201 1.746 1.00 0.00 O ATOM 572 CB ARG A 39 -6.632 -9.788 3.580 1.00 0.00 C ATOM 573 CG ARG A 39 -7.294 -8.434 3.835 1.00 0.00 C ATOM 574 CD ARG A 39 -7.219 -8.099 5.325 1.00 0.00 C ATOM 575 NE ARG A 39 -8.162 -6.988 5.629 1.00 0.00 N ATOM 576 CZ ARG A 39 -7.960 -6.224 6.668 1.00 0.00 C ATOM 577 NH1 ARG A 39 -6.890 -5.482 6.736 1.00 0.00 N ATOM 578 NH2 ARG A 39 -8.831 -6.205 7.639 1.00 0.00 N ATOM 0 HA ARG A 39 -7.737 -9.631 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.006 -10.527 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.556 -9.714 3.735 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.796 -7.659 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.334 -8.459 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.470 -8.977 5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.202 -7.812 5.594 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.967 -6.824 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.209 -5.498 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.734 -4.886 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.667 -6.786 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.676 -5.609 8.452 1.00 0.00 H new ATOM 592 N GLU A 40 -5.859 -9.702 0.042 1.00 0.00 N ATOM 593 CA GLU A 40 -4.682 -9.480 -0.842 1.00 0.00 C ATOM 594 C GLU A 40 -4.324 -7.999 -0.780 1.00 0.00 C ATOM 595 O GLU A 40 -5.132 -7.150 -1.094 1.00 0.00 O ATOM 596 CB GLU A 40 -5.016 -9.854 -2.292 1.00 0.00 C ATOM 597 CG GLU A 40 -6.063 -10.969 -2.338 1.00 0.00 C ATOM 598 CD GLU A 40 -5.416 -12.298 -1.944 1.00 0.00 C ATOM 599 OE1 GLU A 40 -4.675 -12.310 -0.975 1.00 0.00 O ATOM 600 OE2 GLU A 40 -5.671 -13.283 -2.619 1.00 0.00 O ATOM 0 H GLU A 40 -6.768 -9.562 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.851 -10.101 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.388 -8.977 -2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.111 -10.177 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.885 -10.738 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.487 -11.042 -3.339 1.00 0.00 H new ATOM 607 N ILE A 41 -3.134 -7.669 -0.364 1.00 0.00 N ATOM 608 CA ILE A 41 -2.768 -6.229 -0.281 1.00 0.00 C ATOM 609 C ILE A 41 -1.769 -5.870 -1.376 1.00 0.00 C ATOM 610 O ILE A 41 -1.365 -6.693 -2.172 1.00 0.00 O ATOM 611 CB ILE A 41 -2.152 -5.924 1.085 1.00 0.00 C ATOM 612 CG1 ILE A 41 -0.942 -6.835 1.316 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.194 -6.163 2.178 1.00 0.00 C ATOM 614 CD1 ILE A 41 0.286 -5.977 1.624 1.00 0.00 C ATOM 0 H ILE A 41 -2.407 -8.326 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.672 -5.635 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.829 -4.883 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.139 -7.518 2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.760 -7.447 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.756 -5.946 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.051 -5.511 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.519 -7.203 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.149 -6.622 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.485 -5.312 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.100 -5.384 2.519 1.00 0.00 H new ATOM 626 N ARG A 42 -1.378 -4.631 -1.412 1.00 0.00 N ATOM 627 CA ARG A 42 -0.410 -4.163 -2.435 1.00 0.00 C ATOM 628 C ARG A 42 0.050 -2.766 -2.026 1.00 0.00 C ATOM 629 O ARG A 42 -0.488 -2.183 -1.110 1.00 0.00 O ATOM 630 CB ARG A 42 -1.105 -4.118 -3.801 1.00 0.00 C ATOM 631 CG ARG A 42 -0.184 -3.466 -4.832 1.00 0.00 C ATOM 632 CD ARG A 42 -0.778 -3.645 -6.232 1.00 0.00 C ATOM 633 NE ARG A 42 -0.047 -4.726 -6.948 1.00 0.00 N ATOM 634 CZ ARG A 42 -0.446 -5.965 -6.843 1.00 0.00 C ATOM 635 NH1 ARG A 42 -0.333 -6.592 -5.705 1.00 0.00 N ATOM 636 NH2 ARG A 42 -0.959 -6.575 -7.875 1.00 0.00 N ATOM 0 H ARG A 42 -1.694 -3.910 -0.764 1.00 0.00 H new ATOM 0 HA ARG A 42 0.447 -4.833 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.365 -5.127 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.037 -3.557 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.064 -2.406 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.808 -3.916 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.837 -3.894 -6.160 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.707 -2.712 -6.791 1.00 0.00 H new ATOM 0 HE ARG A 42 0.766 -4.499 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.067 -6.115 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.645 -7.560 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.049 -6.084 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.270 -7.543 -7.793 1.00 0.00 H new ATOM 650 N ARG A 43 1.037 -2.217 -2.668 1.00 0.00 N ATOM 651 CA ARG A 43 1.490 -0.859 -2.259 1.00 0.00 C ATOM 652 C ARG A 43 1.933 -0.060 -3.478 1.00 0.00 C ATOM 653 O ARG A 43 2.483 -0.589 -4.423 1.00 0.00 O ATOM 654 CB ARG A 43 2.658 -0.978 -1.278 1.00 0.00 C ATOM 655 CG ARG A 43 3.477 -2.223 -1.611 1.00 0.00 C ATOM 656 CD ARG A 43 3.066 -3.363 -0.680 1.00 0.00 C ATOM 657 NE ARG A 43 4.192 -3.683 0.241 1.00 0.00 N ATOM 658 CZ ARG A 43 4.148 -3.296 1.487 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.795 -2.074 1.778 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.455 -4.132 2.439 1.00 0.00 N ATOM 0 H ARG A 43 1.544 -2.639 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 43 0.659 -0.343 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.287 -0.090 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.284 -1.038 -0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.316 -2.511 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.541 -2.013 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.183 -3.079 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.797 -4.244 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 43 4.998 -4.205 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.554 -1.422 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.760 -1.771 2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.729 -5.087 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.421 -3.831 3.413 1.00 0.00 H new ATOM 674 N GLU A 44 1.706 1.221 -3.450 1.00 0.00 N ATOM 675 CA GLU A 44 2.116 2.082 -4.588 1.00 0.00 C ATOM 676 C GLU A 44 2.334 3.497 -4.066 1.00 0.00 C ATOM 677 O GLU A 44 1.751 3.900 -3.081 1.00 0.00 O ATOM 678 CB GLU A 44 1.025 2.091 -5.659 1.00 0.00 C ATOM 679 CG GLU A 44 1.359 1.062 -6.740 1.00 0.00 C ATOM 680 CD GLU A 44 2.549 1.557 -7.565 1.00 0.00 C ATOM 681 OE1 GLU A 44 2.567 2.730 -7.897 1.00 0.00 O ATOM 682 OE2 GLU A 44 3.423 0.754 -7.851 1.00 0.00 O ATOM 0 H GLU A 44 1.250 1.712 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 44 3.035 1.697 -5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.059 1.861 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.943 3.084 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.595 0.101 -6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.495 0.904 -7.386 1.00 0.00 H new ATOM 689 N CYS A 45 3.166 4.253 -4.712 1.00 0.00 N ATOM 690 CA CYS A 45 3.417 5.641 -4.241 1.00 0.00 C ATOM 691 C CYS A 45 2.394 6.568 -4.877 1.00 0.00 C ATOM 692 O CYS A 45 1.921 6.333 -5.971 1.00 0.00 O ATOM 693 CB CYS A 45 4.832 6.086 -4.648 1.00 0.00 C ATOM 694 SG CYS A 45 5.330 7.520 -3.669 1.00 0.00 S ATOM 0 H CYS A 45 3.684 3.974 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 45 3.332 5.678 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.537 5.269 -4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.854 6.334 -5.709 1.00 0.00 H new ATOM 699 N ALA A 46 2.051 7.626 -4.203 1.00 0.00 N ATOM 700 CA ALA A 46 1.062 8.576 -4.769 1.00 0.00 C ATOM 701 C ALA A 46 1.147 9.905 -4.029 1.00 0.00 C ATOM 702 O ALA A 46 1.740 10.005 -2.972 1.00 0.00 O ATOM 703 CB ALA A 46 -0.339 7.999 -4.592 1.00 0.00 C ATOM 0 H ALA A 46 2.414 7.874 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 46 1.273 8.733 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.072 8.691 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.408 7.044 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.539 7.849 -3.531 1.00 0.00 H new ATOM 709 N ALA A 47 0.527 10.921 -4.555 1.00 0.00 N ATOM 710 CA ALA A 47 0.533 12.232 -3.861 1.00 0.00 C ATOM 711 C ALA A 47 -0.798 12.368 -3.122 1.00 0.00 C ATOM 712 O ALA A 47 -1.214 13.447 -2.751 1.00 0.00 O ATOM 713 CB ALA A 47 0.672 13.357 -4.886 1.00 0.00 C ATOM 0 H ALA A 47 0.016 10.898 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 47 1.368 12.295 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.676 14.319 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.605 13.235 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.166 13.321 -5.582 1.00 0.00 H new ATOM 719 N THR A 48 -1.475 11.265 -2.924 1.00 0.00 N ATOM 720 CA THR A 48 -2.790 11.297 -2.229 1.00 0.00 C ATOM 721 C THR A 48 -2.684 10.655 -0.855 1.00 0.00 C ATOM 722 O THR A 48 -1.617 10.415 -0.335 1.00 0.00 O ATOM 723 CB THR A 48 -3.809 10.484 -3.021 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.251 10.116 -4.277 1.00 0.00 O ATOM 725 CG2 THR A 48 -5.077 11.316 -3.233 1.00 0.00 C ATOM 0 H THR A 48 -1.167 10.338 -3.218 1.00 0.00 H new ATOM 0 HA THR A 48 -3.095 12.340 -2.141 1.00 0.00 H new ATOM 0 HB THR A 48 -4.065 9.581 -2.467 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.905 9.592 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.804 10.734 -3.799 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.502 11.585 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.829 12.222 -3.785 1.00 0.00 H new ATOM 830 N LEU A 56 -11.133 -1.289 -1.621 1.00 0.00 N ATOM 831 CA LEU A 56 -9.694 -1.368 -1.255 1.00 0.00 C ATOM 832 C LEU A 56 -9.396 -0.442 -0.077 1.00 0.00 C ATOM 833 O LEU A 56 -9.834 0.691 -0.037 1.00 0.00 O ATOM 834 CB LEU A 56 -8.859 -0.922 -2.456 1.00 0.00 C ATOM 835 CG LEU A 56 -7.788 -1.965 -2.764 1.00 0.00 C ATOM 836 CD1 LEU A 56 -8.432 -3.339 -2.860 1.00 0.00 C ATOM 837 CD2 LEU A 56 -7.118 -1.622 -4.096 1.00 0.00 C ATOM 0 HA LEU A 56 -9.450 -2.393 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.502 -0.782 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.392 0.040 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.042 -1.969 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.668 -4.084 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.914 -3.582 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.177 -3.337 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.352 -2.365 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.865 -1.621 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.659 -0.636 -4.029 1.00 0.00 H new ATOM 849 N THR A 57 -8.628 -0.907 0.868 1.00 0.00 N ATOM 850 CA THR A 57 -8.270 -0.046 2.028 1.00 0.00 C ATOM 851 C THR A 57 -6.962 0.672 1.696 1.00 0.00 C ATOM 852 O THR A 57 -6.011 0.056 1.251 1.00 0.00 O ATOM 853 CB THR A 57 -8.090 -0.918 3.282 1.00 0.00 C ATOM 854 OG1 THR A 57 -9.361 -1.168 3.866 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.193 -0.203 4.300 1.00 0.00 C ATOM 0 H THR A 57 -8.233 -1.847 0.887 1.00 0.00 H new ATOM 0 HA THR A 57 -9.058 0.681 2.223 1.00 0.00 H new ATOM 0 HB THR A 57 -7.621 -1.860 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.250 -1.725 4.665 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.073 -0.830 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.216 -0.013 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.651 0.744 4.587 1.00 0.00 H new ATOM 863 N VAL A 58 -6.901 1.962 1.896 1.00 0.00 N ATOM 864 CA VAL A 58 -5.649 2.692 1.578 1.00 0.00 C ATOM 865 C VAL A 58 -4.858 2.947 2.845 1.00 0.00 C ATOM 866 O VAL A 58 -5.404 3.228 3.894 1.00 0.00 O ATOM 867 CB VAL A 58 -5.930 4.056 0.945 1.00 0.00 C ATOM 868 CG1 VAL A 58 -4.800 4.407 -0.029 1.00 0.00 C ATOM 869 CG2 VAL A 58 -7.273 4.046 0.204 1.00 0.00 C ATOM 0 H VAL A 58 -7.661 2.535 2.263 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.093 2.068 0.878 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.981 4.806 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.998 5.379 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.853 4.444 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.744 3.648 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.452 5.026 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.249 3.292 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.074 3.813 0.906 1.00 0.00 H new ATOM 879 N PHE A 59 -3.571 2.898 2.739 1.00 0.00 N ATOM 880 CA PHE A 59 -2.726 3.188 3.915 1.00 0.00 C ATOM 881 C PHE A 59 -1.662 4.194 3.479 1.00 0.00 C ATOM 882 O PHE A 59 -0.557 3.840 3.119 1.00 0.00 O ATOM 883 CB PHE A 59 -2.077 1.905 4.422 1.00 0.00 C ATOM 884 CG PHE A 59 -0.953 2.267 5.351 1.00 0.00 C ATOM 885 CD1 PHE A 59 -1.039 3.432 6.125 1.00 0.00 C ATOM 886 CD2 PHE A 59 0.170 1.447 5.436 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.008 3.774 6.988 1.00 0.00 C ATOM 888 CE2 PHE A 59 1.220 1.787 6.299 1.00 0.00 C ATOM 889 CZ PHE A 59 1.139 2.950 7.076 1.00 0.00 C ATOM 0 H PHE A 59 -3.064 2.668 1.884 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.323 3.600 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.812 1.289 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.701 1.316 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.912 4.065 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.231 0.550 4.837 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.055 4.671 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.092 1.153 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.947 3.212 7.743 1.00 0.00 H new ATOM 899 N CYS A 60 -2.012 5.449 3.478 1.00 0.00 N ATOM 900 CA CYS A 60 -1.049 6.500 3.025 1.00 0.00 C ATOM 901 C CYS A 60 -0.049 6.855 4.119 1.00 0.00 C ATOM 902 O CYS A 60 -0.367 6.902 5.291 1.00 0.00 O ATOM 903 CB CYS A 60 -1.785 7.776 2.602 1.00 0.00 C ATOM 904 SG CYS A 60 -3.291 8.013 3.589 1.00 0.00 S ATOM 0 H CYS A 60 -2.925 5.797 3.771 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.513 6.084 2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.127 8.637 2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.044 7.718 1.545 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.046 7.720 4.832 1.00 0.00 H new ATOM 909 N CYS A 61 1.160 7.133 3.721 1.00 0.00 N ATOM 910 CA CYS A 61 2.214 7.525 4.703 1.00 0.00 C ATOM 911 C CYS A 61 2.939 8.765 4.174 1.00 0.00 C ATOM 912 O CYS A 61 3.544 8.734 3.119 1.00 0.00 O ATOM 913 CB CYS A 61 3.219 6.387 4.872 1.00 0.00 C ATOM 914 SG CYS A 61 2.743 5.355 6.282 1.00 0.00 S ATOM 0 H CYS A 61 1.468 7.106 2.749 1.00 0.00 H new ATOM 0 HA CYS A 61 1.754 7.738 5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.256 5.784 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.219 6.792 5.027 1.00 0.00 H new ATOM 919 N THR A 62 2.876 9.857 4.887 1.00 0.00 N ATOM 920 CA THR A 62 3.552 11.100 4.411 1.00 0.00 C ATOM 921 C THR A 62 4.964 11.188 4.991 1.00 0.00 C ATOM 922 O THR A 62 5.277 12.078 5.757 1.00 0.00 O ATOM 923 CB THR A 62 2.743 12.322 4.857 1.00 0.00 C ATOM 924 OG1 THR A 62 2.119 12.046 6.103 1.00 0.00 O ATOM 925 CG2 THR A 62 1.674 12.640 3.810 1.00 0.00 C ATOM 0 H THR A 62 2.386 9.943 5.778 1.00 0.00 H new ATOM 0 HA THR A 62 3.615 11.075 3.323 1.00 0.00 H new ATOM 0 HB THR A 62 3.409 13.178 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.602 12.828 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.100 13.510 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.153 12.852 2.854 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.007 11.785 3.700 1.00 0.00 H new ATOM 933 N THR A 63 5.825 10.280 4.624 1.00 0.00 N ATOM 934 CA THR A 63 7.219 10.324 5.146 1.00 0.00 C ATOM 935 C THR A 63 8.081 9.318 4.383 1.00 0.00 C ATOM 936 O THR A 63 7.596 8.570 3.557 1.00 0.00 O ATOM 937 CB THR A 63 7.226 9.972 6.635 1.00 0.00 C ATOM 938 OG1 THR A 63 8.570 9.876 7.091 1.00 0.00 O ATOM 939 CG2 THR A 63 6.514 8.636 6.853 1.00 0.00 C ATOM 0 H THR A 63 5.624 9.510 3.986 1.00 0.00 H new ATOM 0 HA THR A 63 7.621 11.328 5.011 1.00 0.00 H new ATOM 0 HB THR A 63 6.706 10.750 7.194 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.577 9.652 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.521 8.389 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.484 8.712 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.029 7.854 6.295 1.00 0.00 H new ATOM 947 N ASP A 64 9.356 9.294 4.654 1.00 0.00 N ATOM 948 CA ASP A 64 10.248 8.335 3.944 1.00 0.00 C ATOM 949 C ASP A 64 9.639 6.935 4.018 1.00 0.00 C ATOM 950 O ASP A 64 8.596 6.742 4.611 1.00 0.00 O ATOM 951 CB ASP A 64 11.625 8.326 4.613 1.00 0.00 C ATOM 952 CG ASP A 64 11.464 8.101 6.118 1.00 0.00 C ATOM 953 OD1 ASP A 64 11.379 6.952 6.520 1.00 0.00 O ATOM 954 OD2 ASP A 64 11.428 9.082 6.842 1.00 0.00 O ATOM 0 H ASP A 64 9.819 9.896 5.335 1.00 0.00 H new ATOM 0 HA ASP A 64 10.354 8.636 2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.245 7.540 4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.136 9.271 4.429 1.00 0.00 H new ATOM 959 N ASN A 65 10.283 5.964 3.411 1.00 0.00 N ATOM 960 CA ASN A 65 9.763 4.560 3.427 1.00 0.00 C ATOM 961 C ASN A 65 8.946 4.301 4.697 1.00 0.00 C ATOM 962 O ASN A 65 9.485 4.103 5.767 1.00 0.00 O ATOM 963 CB ASN A 65 10.943 3.585 3.383 1.00 0.00 C ATOM 964 CG ASN A 65 12.138 4.191 4.123 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.218 4.120 5.333 1.00 0.00 O ATOM 966 ND2 ASN A 65 13.077 4.790 3.442 1.00 0.00 N ATOM 0 H ASN A 65 11.157 6.088 2.900 1.00 0.00 H new ATOM 0 HA ASN A 65 9.120 4.415 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.662 2.637 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.213 3.372 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.877 5.198 3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.011 4.850 2.426 1.00 0.00 H new ATOM 973 N CYS A 66 7.644 4.312 4.583 1.00 0.00 N ATOM 974 CA CYS A 66 6.783 4.081 5.777 1.00 0.00 C ATOM 975 C CYS A 66 6.064 2.737 5.640 1.00 0.00 C ATOM 976 O CYS A 66 6.259 1.836 6.431 1.00 0.00 O ATOM 977 CB CYS A 66 5.748 5.203 5.865 1.00 0.00 C ATOM 978 SG CYS A 66 4.499 4.793 7.113 1.00 0.00 S ATOM 0 H CYS A 66 7.140 4.472 3.711 1.00 0.00 H new ATOM 0 HA CYS A 66 7.398 4.070 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.238 6.142 6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 66 5.272 5.347 4.895 1.00 0.00 H new ATOM 983 N ASN A 67 5.229 2.602 4.646 1.00 0.00 N ATOM 984 CA ASN A 67 4.487 1.322 4.455 1.00 0.00 C ATOM 985 C ASN A 67 5.445 0.140 4.611 1.00 0.00 C ATOM 986 O ASN A 67 6.072 -0.292 3.664 1.00 0.00 O ATOM 987 CB ASN A 67 3.873 1.296 3.052 1.00 0.00 C ATOM 988 CG ASN A 67 2.522 2.011 3.070 1.00 0.00 C ATOM 989 OD1 ASN A 67 1.690 1.784 2.215 1.00 0.00 O ATOM 990 ND2 ASN A 67 2.265 2.872 4.017 1.00 0.00 N ATOM 0 H ASN A 67 5.028 3.325 3.955 1.00 0.00 H new ATOM 0 HA ASN A 67 3.698 1.248 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.543 1.781 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.746 0.266 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.366 3.353 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.963 3.063 4.736 1.00 0.00 H new ATOM 997 N HIS A 68 5.565 -0.388 5.797 1.00 0.00 N ATOM 998 CA HIS A 68 6.480 -1.538 6.009 1.00 0.00 C ATOM 999 C HIS A 68 5.711 -2.847 5.810 1.00 0.00 C ATOM 1000 O HIS A 68 6.213 -3.875 6.232 1.00 0.00 O ATOM 1001 CB HIS A 68 7.047 -1.489 7.429 1.00 0.00 C ATOM 1002 CG HIS A 68 5.954 -1.129 8.396 1.00 0.00 C ATOM 1003 ND1 HIS A 68 4.926 -2.004 8.709 1.00 0.00 N ATOM 1004 CD2 HIS A 68 5.714 0.008 9.127 1.00 0.00 C ATOM 1005 CE1 HIS A 68 4.122 -1.386 9.593 1.00 0.00 C ATOM 1006 NE2 HIS A 68 4.556 -0.157 9.882 1.00 0.00 N ATOM 1007 OXT HIS A 68 4.634 -2.797 5.241 1.00 0.00 O ATOM 0 H HIS A 68 5.067 -0.070 6.629 1.00 0.00 H new ATOM 0 HA HIS A 68 7.299 -1.485 5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.477 -2.455 7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.852 -0.756 7.485 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.330 0.895 9.118 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.234 -1.830 10.017 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.131 0.516 10.519 1.00 0.00 H new