USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 372 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 36 MET CE :methyl -141:sc= -0.84 (180deg=-0.4) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.311 K(o=-1.2,f=-4!) USER MOD Single : A 2 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.74) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 9 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.069) USER MOD Single : A 15 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.047) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0494 (180deg=-0.322) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.46) USER MOD Single : A 33 HIS : no HE2:sc= -24.4! C(o=-24!,f=-22!) USER MOD Single : A 35 ASN : amide:sc= -2.62 K(o=-2.6,f=-3.7!) USER MOD Single : A 43 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-6.1!) USER MOD Single : A 49 TYR OH : rot -153:sc= -3.09! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 9.602 -1.883 -2.838 1.00 0.00 N ATOM 14 CA HIS A 2 9.212 -2.887 -1.854 1.00 0.00 C ATOM 15 C HIS A 2 7.700 -3.068 -1.830 1.00 0.00 C ATOM 16 O HIS A 2 7.053 -2.898 -0.797 1.00 0.00 O ATOM 17 CB HIS A 2 9.722 -2.496 -0.462 1.00 0.00 C ATOM 18 CG HIS A 2 11.083 -1.869 -0.473 1.00 0.00 C ATOM 19 ND1 HIS A 2 12.072 -2.235 -1.361 1.00 0.00 N ATOM 20 CD2 HIS A 2 11.614 -0.891 0.298 1.00 0.00 C ATOM 21 CE1 HIS A 2 13.154 -1.510 -1.135 1.00 0.00 C ATOM 22 NE2 HIS A 2 12.901 -0.687 -0.133 1.00 0.00 N ATOM 0 HA HIS A 2 9.664 -3.836 -2.141 1.00 0.00 H new ATOM 0 HB2 HIS A 2 9.015 -1.801 -0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.746 -3.384 0.169 1.00 0.00 H new ATOM 0 HD2 HIS A 2 11.117 -0.369 1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.086 -1.579 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.556 -0.010 0.257 1.00 0.00 H new ATOM 31 N MET A 3 7.145 -3.414 -2.982 1.00 0.00 N ATOM 32 CA MET A 3 5.704 -3.621 -3.111 1.00 0.00 C ATOM 33 C MET A 3 5.254 -4.880 -2.371 1.00 0.00 C ATOM 34 O MET A 3 6.073 -5.648 -1.867 1.00 0.00 O ATOM 35 CB MET A 3 5.293 -3.706 -4.588 1.00 0.00 C ATOM 36 CG MET A 3 6.294 -4.426 -5.482 1.00 0.00 C ATOM 37 SD MET A 3 6.750 -6.057 -4.861 1.00 0.00 S ATOM 38 CE MET A 3 5.682 -7.105 -5.846 1.00 0.00 C ATOM 0 H MET A 3 7.669 -3.558 -3.845 1.00 0.00 H new ATOM 0 HA MET A 3 5.210 -2.762 -2.657 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.332 -4.216 -4.656 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.145 -2.696 -4.970 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.871 -4.529 -6.481 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.192 -3.816 -5.577 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.847 -8.148 -5.577 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.641 -6.843 -5.658 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.907 -6.963 -6.903 1.00 0.00 H new ATOM 48 N ASP A 4 3.939 -5.076 -2.311 1.00 0.00 N ATOM 49 CA ASP A 4 3.351 -6.231 -1.635 1.00 0.00 C ATOM 50 C ASP A 4 1.825 -6.183 -1.730 1.00 0.00 C ATOM 51 O ASP A 4 1.143 -5.895 -0.749 1.00 0.00 O ATOM 52 CB ASP A 4 3.789 -6.269 -0.164 1.00 0.00 C ATOM 53 CG ASP A 4 4.270 -7.643 0.259 1.00 0.00 C ATOM 54 OD1 ASP A 4 3.611 -8.640 -0.104 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.305 -7.722 0.953 1.00 0.00 O ATOM 0 H ASP A 4 3.255 -4.444 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 4 3.704 -7.137 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.587 -5.543 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.954 -5.968 0.469 1.00 0.00 H new ATOM 60 N CYS A 5 1.296 -6.455 -2.920 1.00 0.00 N ATOM 61 CA CYS A 5 -0.149 -6.427 -3.142 1.00 0.00 C ATOM 62 C CYS A 5 -0.795 -7.710 -2.626 1.00 0.00 C ATOM 63 O CYS A 5 -0.132 -8.522 -1.981 1.00 0.00 O ATOM 64 CB CYS A 5 -0.440 -6.245 -4.638 1.00 0.00 C ATOM 65 SG CYS A 5 -1.979 -5.340 -5.041 1.00 0.00 S ATOM 0 H CYS A 5 1.845 -6.697 -3.745 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.574 -5.587 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.399 -5.718 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.487 -7.230 -5.103 1.00 0.00 H new ATOM 70 N THR A 6 -2.088 -7.893 -2.899 1.00 0.00 N ATOM 71 CA THR A 6 -2.790 -9.080 -2.444 1.00 0.00 C ATOM 72 C THR A 6 -2.128 -10.336 -3.021 1.00 0.00 C ATOM 73 O THR A 6 -1.030 -10.690 -2.592 1.00 0.00 O ATOM 74 CB THR A 6 -4.276 -9.004 -2.809 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.773 -7.693 -2.608 1.00 0.00 O ATOM 76 CG2 THR A 6 -5.136 -9.950 -1.999 1.00 0.00 C ATOM 0 H THR A 6 -2.661 -7.236 -3.429 1.00 0.00 H new ATOM 0 HA THR A 6 -2.726 -9.136 -1.357 1.00 0.00 H new ATOM 0 HB THR A 6 -4.334 -9.292 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.723 -7.663 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.177 -9.848 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.807 -10.975 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.044 -9.709 -0.940 1.00 0.00 H new ATOM 84 N GLU A 7 -2.761 -11.019 -3.991 1.00 0.00 N ATOM 85 CA GLU A 7 -2.150 -12.209 -4.559 1.00 0.00 C ATOM 86 C GLU A 7 -3.029 -12.844 -5.632 1.00 0.00 C ATOM 87 O GLU A 7 -2.908 -14.038 -5.906 1.00 0.00 O ATOM 88 CB GLU A 7 -1.842 -13.215 -3.443 1.00 0.00 C ATOM 89 CG GLU A 7 -2.957 -14.218 -3.159 1.00 0.00 C ATOM 90 CD GLU A 7 -2.621 -15.618 -3.635 1.00 0.00 C ATOM 91 OE1 GLU A 7 -1.514 -16.102 -3.316 1.00 0.00 O ATOM 92 OE2 GLU A 7 -3.462 -16.229 -4.326 1.00 0.00 O ATOM 0 H GLU A 7 -3.669 -10.768 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.220 -11.913 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.938 -13.763 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.625 -12.665 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.155 -14.241 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.873 -13.884 -3.645 1.00 0.00 H new ATOM 99 N PHE A 8 -3.916 -12.058 -6.237 1.00 0.00 N ATOM 100 CA PHE A 8 -4.796 -12.600 -7.271 1.00 0.00 C ATOM 101 C PHE A 8 -5.370 -11.503 -8.166 1.00 0.00 C ATOM 102 O PHE A 8 -4.888 -10.370 -8.165 1.00 0.00 O ATOM 103 CB PHE A 8 -5.925 -13.416 -6.626 1.00 0.00 C ATOM 104 CG PHE A 8 -6.501 -12.800 -5.379 1.00 0.00 C ATOM 105 CD1 PHE A 8 -6.507 -11.425 -5.196 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.044 -13.605 -4.388 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.040 -10.867 -4.049 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.580 -13.051 -3.242 1.00 0.00 C ATOM 109 CZ PHE A 8 -7.577 -11.681 -3.072 1.00 0.00 C ATOM 0 H PHE A 8 -4.044 -11.066 -6.036 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.199 -13.254 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.725 -13.547 -7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.547 -14.410 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.091 -10.783 -5.958 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.048 -14.678 -4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.036 -9.795 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.001 -13.689 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.994 -11.247 -2.176 1.00 0.00 H new ATOM 119 N ASN A 9 -6.400 -11.852 -8.938 1.00 0.00 N ATOM 120 CA ASN A 9 -7.035 -10.902 -9.843 1.00 0.00 C ATOM 121 C ASN A 9 -7.792 -9.828 -9.064 1.00 0.00 C ATOM 122 O ASN A 9 -7.578 -8.637 -9.286 1.00 0.00 O ATOM 123 CB ASN A 9 -7.990 -11.629 -10.797 1.00 0.00 C ATOM 124 CG ASN A 9 -7.400 -12.917 -11.342 1.00 0.00 C ATOM 125 OD1 ASN A 9 -6.543 -12.896 -12.227 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.858 -14.047 -10.816 1.00 0.00 N ATOM 0 H ASN A 9 -6.810 -12.786 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.252 -10.417 -10.426 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.920 -11.852 -10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.241 -10.969 -11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.499 -14.944 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.568 -14.018 -10.085 1.00 0.00 H new ATOM 133 N PRO A 10 -8.680 -10.223 -8.130 1.00 0.00 N ATOM 134 CA PRO A 10 -9.438 -9.262 -7.326 1.00 0.00 C ATOM 135 C PRO A 10 -8.519 -8.443 -6.428 1.00 0.00 C ATOM 136 O PRO A 10 -8.416 -8.695 -5.228 1.00 0.00 O ATOM 137 CB PRO A 10 -10.374 -10.137 -6.487 1.00 0.00 C ATOM 138 CG PRO A 10 -9.728 -11.479 -6.465 1.00 0.00 C ATOM 139 CD PRO A 10 -9.006 -11.616 -7.776 1.00 0.00 C ATOM 0 HA PRO A 10 -9.972 -8.539 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.490 -9.738 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.370 -10.185 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.035 -11.564 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.471 -12.267 -6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.109 -12.227 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.633 -12.087 -8.533 1.00 0.00 H new ATOM 147 N LEU A 11 -7.844 -7.473 -7.033 1.00 0.00 N ATOM 148 CA LEU A 11 -6.910 -6.601 -6.326 1.00 0.00 C ATOM 149 C LEU A 11 -7.524 -5.992 -5.080 1.00 0.00 C ATOM 150 O LEU A 11 -8.588 -6.410 -4.636 1.00 0.00 O ATOM 151 CB LEU A 11 -6.413 -5.508 -7.272 1.00 0.00 C ATOM 152 CG LEU A 11 -7.422 -4.395 -7.585 1.00 0.00 C ATOM 153 CD1 LEU A 11 -6.944 -3.559 -8.762 1.00 0.00 C ATOM 154 CD2 LEU A 11 -8.802 -4.974 -7.872 1.00 0.00 C ATOM 0 H LEU A 11 -7.928 -7.268 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.068 -7.209 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.522 -5.055 -6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.110 -5.974 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.499 -3.752 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.671 -2.774 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.982 -3.107 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.835 -4.196 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.498 -4.164 -8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.744 -5.644 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.152 -5.528 -7.001 1.00 0.00 H new ATOM 166 N CYS A 12 -6.806 -5.018 -4.520 1.00 0.00 N ATOM 167 CA CYS A 12 -7.194 -4.326 -3.291 1.00 0.00 C ATOM 168 C CYS A 12 -8.662 -4.504 -2.947 1.00 0.00 C ATOM 169 O CYS A 12 -9.447 -3.555 -2.925 1.00 0.00 O ATOM 170 CB CYS A 12 -6.878 -2.844 -3.412 1.00 0.00 C ATOM 171 SG CYS A 12 -7.875 -1.960 -4.658 1.00 0.00 S ATOM 0 H CYS A 12 -5.926 -4.683 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.618 -4.775 -2.482 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.030 -2.372 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.823 -2.729 -3.660 1.00 0.00 H new ATOM 176 N ARG A 13 -9.008 -5.740 -2.654 1.00 0.00 N ATOM 177 CA ARG A 13 -10.369 -6.091 -2.277 1.00 0.00 C ATOM 178 C ARG A 13 -10.569 -5.895 -0.777 1.00 0.00 C ATOM 179 O ARG A 13 -11.280 -6.663 -0.129 1.00 0.00 O ATOM 180 CB ARG A 13 -10.670 -7.540 -2.661 1.00 0.00 C ATOM 181 CG ARG A 13 -12.149 -7.889 -2.602 1.00 0.00 C ATOM 182 CD ARG A 13 -12.751 -8.021 -3.993 1.00 0.00 C ATOM 183 NE ARG A 13 -13.630 -9.182 -4.100 1.00 0.00 N ATOM 184 CZ ARG A 13 -13.220 -10.440 -3.958 1.00 0.00 C ATOM 185 NH1 ARG A 13 -11.942 -10.706 -3.714 1.00 0.00 N ATOM 186 NH2 ARG A 13 -14.088 -11.437 -4.066 1.00 0.00 N ATOM 0 H ARG A 13 -8.361 -6.528 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.057 -5.436 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.301 -7.724 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.121 -8.206 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.281 -8.824 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.683 -7.119 -2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.312 -7.118 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.951 -8.103 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.618 -9.019 -4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.269 -9.944 -3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.634 -11.672 -3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.070 -11.240 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.773 -12.401 -3.957 1.00 0.00 H new ATOM 200 N CYS A 14 -9.932 -4.860 -0.237 1.00 0.00 N ATOM 201 CA CYS A 14 -10.026 -4.550 1.180 1.00 0.00 C ATOM 202 C CYS A 14 -10.240 -3.049 1.386 1.00 0.00 C ATOM 203 O CYS A 14 -9.396 -2.227 1.034 1.00 0.00 O ATOM 204 CB CYS A 14 -8.768 -5.049 1.917 1.00 0.00 C ATOM 205 SG CYS A 14 -7.395 -3.847 2.051 1.00 0.00 S ATOM 0 H CYS A 14 -9.341 -4.219 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.888 -5.067 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.057 -5.356 2.922 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.399 -5.938 1.406 1.00 0.00 H new ATOM 210 N ASN A 15 -11.390 -2.702 1.943 1.00 0.00 N ATOM 211 CA ASN A 15 -11.731 -1.304 2.186 1.00 0.00 C ATOM 212 C ASN A 15 -11.634 -0.981 3.661 1.00 0.00 C ATOM 213 O ASN A 15 -11.202 0.103 4.031 1.00 0.00 O ATOM 214 CB ASN A 15 -13.153 -1.016 1.727 1.00 0.00 C ATOM 215 CG ASN A 15 -13.210 0.026 0.627 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.949 -0.122 -0.346 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.428 1.089 0.779 1.00 0.00 N ATOM 0 H ASN A 15 -12.105 -3.368 2.236 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.027 -0.690 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.610 -1.939 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.743 -0.674 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.424 1.825 0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.831 1.170 1.602 1.00 0.00 H new ATOM 224 N LYS A 16 -12.081 -1.928 4.484 1.00 0.00 N ATOM 225 CA LYS A 16 -12.099 -1.792 5.943 1.00 0.00 C ATOM 226 C LYS A 16 -10.882 -1.046 6.472 1.00 0.00 C ATOM 227 O LYS A 16 -10.104 -1.569 7.266 1.00 0.00 O ATOM 228 CB LYS A 16 -12.219 -3.173 6.609 1.00 0.00 C ATOM 229 CG LYS A 16 -10.921 -3.977 6.654 1.00 0.00 C ATOM 230 CD LYS A 16 -10.138 -3.876 5.354 1.00 0.00 C ATOM 231 CE LYS A 16 -8.975 -4.857 5.331 1.00 0.00 C ATOM 232 NZ LYS A 16 -8.264 -4.909 6.639 1.00 0.00 N ATOM 0 H LYS A 16 -12.445 -2.822 4.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.974 -1.195 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.583 -3.039 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.972 -3.754 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.303 -3.620 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.150 -5.023 6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.801 -4.075 4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.762 -2.860 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.344 -5.851 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.273 -4.569 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.338 -5.365 6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.128 -3.943 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.829 -5.455 7.320 1.00 0.00 H new ATOM 246 N MET A 17 -10.735 0.183 6.020 1.00 0.00 N ATOM 247 CA MET A 17 -9.617 1.028 6.435 1.00 0.00 C ATOM 248 C MET A 17 -9.519 1.114 7.953 1.00 0.00 C ATOM 249 O MET A 17 -9.975 2.078 8.569 1.00 0.00 O ATOM 250 CB MET A 17 -9.747 2.430 5.861 1.00 0.00 C ATOM 251 CG MET A 17 -11.177 2.942 5.793 1.00 0.00 C ATOM 252 SD MET A 17 -11.290 4.721 6.065 1.00 0.00 S ATOM 253 CE MET A 17 -12.945 4.854 6.734 1.00 0.00 C ATOM 0 H MET A 17 -11.375 0.627 5.362 1.00 0.00 H new ATOM 0 HA MET A 17 -8.709 0.566 6.048 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.155 3.116 6.467 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.320 2.442 4.858 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.600 2.700 4.818 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.780 2.425 6.539 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.165 5.898 6.954 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.663 4.477 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.015 4.267 7.650 1.00 0.00 H new ATOM 263 N LEU A 18 -8.919 0.094 8.538 1.00 0.00 N ATOM 264 CA LEU A 18 -8.740 0.022 9.980 1.00 0.00 C ATOM 265 C LEU A 18 -7.830 -1.138 10.356 1.00 0.00 C ATOM 266 O LEU A 18 -8.171 -1.971 11.197 1.00 0.00 O ATOM 267 CB LEU A 18 -10.095 -0.117 10.675 1.00 0.00 C ATOM 268 CG LEU A 18 -10.783 -1.474 10.486 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.889 -2.212 11.813 1.00 0.00 C ATOM 270 CD2 LEU A 18 -12.160 -1.295 9.861 1.00 0.00 C ATOM 0 H LEU A 18 -8.542 -0.707 8.031 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.267 0.946 10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.959 0.059 11.742 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.758 0.665 10.305 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.175 -2.074 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.380 -3.172 11.657 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.891 -2.377 12.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.472 -1.616 12.515 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.632 -2.269 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.777 -0.674 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.058 -0.813 8.889 1.00 0.00 H new ATOM 282 N GLY A 19 -6.672 -1.185 9.722 1.00 0.00 N ATOM 283 CA GLY A 19 -5.718 -2.245 9.991 1.00 0.00 C ATOM 284 C GLY A 19 -4.294 -1.739 10.110 1.00 0.00 C ATOM 285 O GLY A 19 -4.053 -0.665 10.661 1.00 0.00 O ATOM 0 H GLY A 19 -6.371 -0.507 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.997 -2.752 10.915 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.770 -2.985 9.193 1.00 0.00 H new ATOM 289 N ASP A 20 -3.349 -2.517 9.592 1.00 0.00 N ATOM 290 CA ASP A 20 -1.938 -2.157 9.637 1.00 0.00 C ATOM 291 C ASP A 20 -1.701 -0.754 9.101 1.00 0.00 C ATOM 292 O ASP A 20 -2.639 -0.042 8.744 1.00 0.00 O ATOM 293 CB ASP A 20 -1.118 -3.161 8.827 1.00 0.00 C ATOM 294 CG ASP A 20 -1.445 -4.598 9.181 1.00 0.00 C ATOM 295 OD1 ASP A 20 -1.763 -4.861 10.360 1.00 0.00 O ATOM 296 OD2 ASP A 20 -1.383 -5.460 8.280 1.00 0.00 O ATOM 0 H ASP A 20 -3.538 -3.408 9.133 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.623 -2.178 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.301 -3.001 7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.057 -2.981 8.998 1.00 0.00 H new ATOM 301 N LEU A 21 -0.435 -0.374 9.053 1.00 0.00 N ATOM 302 CA LEU A 21 -0.036 0.940 8.560 1.00 0.00 C ATOM 303 C LEU A 21 1.276 0.850 7.791 1.00 0.00 C ATOM 304 O LEU A 21 2.344 0.707 8.381 1.00 0.00 O ATOM 305 CB LEU A 21 0.105 1.927 9.719 1.00 0.00 C ATOM 306 CG LEU A 21 0.509 3.346 9.315 1.00 0.00 C ATOM 307 CD1 LEU A 21 -0.311 3.820 8.123 1.00 0.00 C ATOM 308 CD2 LEU A 21 0.343 4.298 10.488 1.00 0.00 C ATOM 0 H LEU A 21 0.343 -0.961 9.352 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.813 1.299 7.885 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.844 1.974 10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.846 1.540 10.418 1.00 0.00 H new ATOM 0 HG LEU A 21 1.559 3.334 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.008 4.831 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.144 3.152 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.369 3.816 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.634 5.304 10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.699 4.303 10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.974 3.971 11.314 1.00 0.00 H new ATOM 320 N ILE A 22 1.178 0.930 6.472 1.00 0.00 N ATOM 321 CA ILE A 22 2.343 0.858 5.601 1.00 0.00 C ATOM 322 C ILE A 22 2.954 2.245 5.392 1.00 0.00 C ATOM 323 O ILE A 22 2.280 3.261 5.562 1.00 0.00 O ATOM 324 CB ILE A 22 1.966 0.228 4.234 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.955 0.597 3.149 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.575 0.646 3.801 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.582 1.862 2.407 1.00 0.00 C ATOM 0 H ILE A 22 0.294 1.046 5.977 1.00 0.00 H new ATOM 0 HA ILE A 22 3.085 0.223 6.085 1.00 0.00 H new ATOM 0 HB ILE A 22 1.991 -0.852 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.942 0.722 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.028 -0.226 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.340 0.188 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.151 0.320 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.534 1.731 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.331 2.070 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.608 1.733 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.537 2.695 3.108 1.00 0.00 H new ATOM 339 N CYS A 23 4.229 2.279 5.007 1.00 0.00 N ATOM 340 CA CYS A 23 4.918 3.540 4.757 1.00 0.00 C ATOM 341 C CYS A 23 5.348 3.597 3.303 1.00 0.00 C ATOM 342 O CYS A 23 6.409 3.092 2.938 1.00 0.00 O ATOM 343 CB CYS A 23 6.139 3.719 5.672 1.00 0.00 C ATOM 344 SG CYS A 23 6.324 2.449 6.968 1.00 0.00 S ATOM 0 H CYS A 23 4.803 1.448 4.862 1.00 0.00 H new ATOM 0 HA CYS A 23 4.225 4.353 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.038 3.722 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.076 4.697 6.149 1.00 0.00 H new ATOM 349 N ALA A 24 4.501 4.183 2.470 1.00 0.00 N ATOM 350 CA ALA A 24 4.787 4.269 1.051 1.00 0.00 C ATOM 351 C ALA A 24 5.697 5.450 0.727 1.00 0.00 C ATOM 352 O ALA A 24 5.786 6.414 1.488 1.00 0.00 O ATOM 353 CB ALA A 24 3.494 4.362 0.256 1.00 0.00 C ATOM 0 H ALA A 24 3.616 4.603 2.753 1.00 0.00 H new ATOM 0 HA ALA A 24 5.316 3.360 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.725 4.426 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.887 3.476 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.942 5.251 0.562 1.00 0.00 H new ATOM 359 N VAL A 25 6.362 5.358 -0.417 1.00 0.00 N ATOM 360 CA VAL A 25 7.269 6.402 -0.878 1.00 0.00 C ATOM 361 C VAL A 25 7.411 6.359 -2.399 1.00 0.00 C ATOM 362 O VAL A 25 7.454 5.280 -2.998 1.00 0.00 O ATOM 363 CB VAL A 25 8.667 6.260 -0.243 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.539 7.458 -0.589 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.561 6.089 1.267 1.00 0.00 C ATOM 0 H VAL A 25 6.289 4.561 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 25 6.839 7.356 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 25 9.137 5.366 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.521 7.338 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.649 7.527 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.072 8.368 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.559 5.991 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.067 6.960 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.981 5.194 1.492 1.00 0.00 H new ATOM 375 N ILE A 26 7.482 7.539 -3.014 1.00 0.00 N ATOM 376 CA ILE A 26 7.623 7.643 -4.466 1.00 0.00 C ATOM 377 C ILE A 26 8.678 8.680 -4.833 1.00 0.00 C ATOM 378 O ILE A 26 8.364 9.841 -5.091 1.00 0.00 O ATOM 379 CB ILE A 26 6.302 8.028 -5.171 1.00 0.00 C ATOM 380 CG1 ILE A 26 5.167 8.225 -4.162 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.922 6.983 -6.211 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.730 6.948 -3.479 1.00 0.00 C ATOM 0 H ILE A 26 7.444 8.436 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 26 7.922 6.652 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 26 6.463 8.979 -5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.487 8.940 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.310 8.664 -4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.990 7.274 -6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.712 6.910 -6.959 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.792 6.016 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.924 7.167 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.378 6.237 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.573 6.518 -2.938 1.00 0.00 H new ATOM 394 N GLY A 27 9.925 8.247 -4.849 1.00 0.00 N ATOM 395 CA GLY A 27 11.030 9.129 -5.180 1.00 0.00 C ATOM 396 C GLY A 27 11.281 10.155 -4.097 1.00 0.00 C ATOM 397 O GLY A 27 12.372 10.228 -3.532 1.00 0.00 O ATOM 0 H GLY A 27 10.199 7.288 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.932 8.537 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.818 9.639 -6.120 1.00 0.00 H new ATOM 401 N ASP A 28 10.256 10.938 -3.805 1.00 0.00 N ATOM 402 CA ASP A 28 10.332 11.967 -2.782 1.00 0.00 C ATOM 403 C ASP A 28 8.940 12.273 -2.240 1.00 0.00 C ATOM 404 O ASP A 28 8.683 13.371 -1.745 1.00 0.00 O ATOM 405 CB ASP A 28 10.967 13.237 -3.347 1.00 0.00 C ATOM 406 CG ASP A 28 10.340 13.660 -4.661 1.00 0.00 C ATOM 407 OD1 ASP A 28 9.229 14.229 -4.632 1.00 0.00 O ATOM 408 OD2 ASP A 28 10.961 13.426 -5.719 1.00 0.00 O ATOM 0 H ASP A 28 9.350 10.878 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 28 10.956 11.600 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.865 14.045 -2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.035 13.072 -3.493 1.00 0.00 H new ATOM 413 N ALA A 29 8.043 11.294 -2.338 1.00 0.00 N ATOM 414 CA ALA A 29 6.676 11.461 -1.859 1.00 0.00 C ATOM 415 C ALA A 29 6.293 10.330 -0.913 1.00 0.00 C ATOM 416 O ALA A 29 5.650 9.361 -1.314 1.00 0.00 O ATOM 417 CB ALA A 29 5.710 11.528 -3.031 1.00 0.00 C ATOM 0 H ALA A 29 8.239 10.379 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 29 6.617 12.399 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.693 11.653 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.969 12.374 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.774 10.606 -3.608 1.00 0.00 H new ATOM 423 N LYS A 30 6.703 10.455 0.342 1.00 0.00 N ATOM 424 CA LYS A 30 6.412 9.438 1.344 1.00 0.00 C ATOM 425 C LYS A 30 5.125 9.753 2.099 1.00 0.00 C ATOM 426 O LYS A 30 4.844 10.907 2.422 1.00 0.00 O ATOM 427 CB LYS A 30 7.580 9.314 2.320 1.00 0.00 C ATOM 428 CG LYS A 30 7.864 10.591 3.092 1.00 0.00 C ATOM 429 CD LYS A 30 9.088 11.309 2.550 1.00 0.00 C ATOM 430 CE LYS A 30 10.343 10.464 2.703 1.00 0.00 C ATOM 431 NZ LYS A 30 10.441 9.860 4.060 1.00 0.00 N ATOM 0 H LYS A 30 7.238 11.250 0.691 1.00 0.00 H new ATOM 0 HA LYS A 30 6.273 8.488 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.369 8.511 3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.475 9.026 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.999 11.252 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.016 10.354 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.935 11.548 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.219 12.255 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.343 9.674 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.222 11.081 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.412 9.525 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.197 10.574 4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.782 9.058 4.132 1.00 0.00 H new ATOM 445 N GLU A 31 4.349 8.710 2.374 1.00 0.00 N ATOM 446 CA GLU A 31 3.084 8.852 3.090 1.00 0.00 C ATOM 447 C GLU A 31 2.656 7.517 3.694 1.00 0.00 C ATOM 448 O GLU A 31 2.944 6.456 3.141 1.00 0.00 O ATOM 449 CB GLU A 31 1.996 9.366 2.144 1.00 0.00 C ATOM 450 CG GLU A 31 0.648 9.567 2.818 1.00 0.00 C ATOM 451 CD GLU A 31 -0.397 8.578 2.340 1.00 0.00 C ATOM 452 OE1 GLU A 31 -0.051 7.393 2.153 1.00 0.00 O ATOM 453 OE2 GLU A 31 -1.562 8.989 2.152 1.00 0.00 O ATOM 0 H GLU A 31 4.575 7.751 2.110 1.00 0.00 H new ATOM 0 HA GLU A 31 3.225 9.572 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.321 10.312 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.880 8.661 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.768 9.470 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.298 10.581 2.626 1.00 0.00 H new ATOM 460 N GLU A 32 1.969 7.574 4.832 1.00 0.00 N ATOM 461 CA GLU A 32 1.511 6.363 5.503 1.00 0.00 C ATOM 462 C GLU A 32 0.035 6.109 5.250 1.00 0.00 C ATOM 463 O GLU A 32 -0.767 7.040 5.170 1.00 0.00 O ATOM 464 CB GLU A 32 1.735 6.457 7.012 1.00 0.00 C ATOM 465 CG GLU A 32 3.147 6.106 7.448 1.00 0.00 C ATOM 466 CD GLU A 32 3.173 5.141 8.614 1.00 0.00 C ATOM 467 OE1 GLU A 32 2.758 5.537 9.724 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.607 3.988 8.418 1.00 0.00 O ATOM 0 H GLU A 32 1.719 8.442 5.306 1.00 0.00 H new ATOM 0 HA GLU A 32 2.093 5.538 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.505 7.470 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.034 5.792 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.685 5.668 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.675 7.018 7.724 1.00 0.00 H new ATOM 475 N HIS A 33 -0.318 4.836 5.155 1.00 0.00 N ATOM 476 CA HIS A 33 -1.705 4.441 4.945 1.00 0.00 C ATOM 477 C HIS A 33 -1.934 3.023 5.450 1.00 0.00 C ATOM 478 O HIS A 33 -1.055 2.168 5.355 1.00 0.00 O ATOM 479 CB HIS A 33 -2.086 4.545 3.473 1.00 0.00 C ATOM 480 CG HIS A 33 -1.274 3.665 2.589 1.00 0.00 C ATOM 481 ND1 HIS A 33 -0.148 4.103 1.936 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.422 2.361 2.255 1.00 0.00 C ATOM 483 CE1 HIS A 33 0.363 3.113 1.237 1.00 0.00 C ATOM 484 NE2 HIS A 33 -0.389 2.043 1.412 1.00 0.00 N ATOM 0 H HIS A 33 0.337 4.057 5.220 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.340 5.123 5.510 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.139 4.290 3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.972 5.579 3.148 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.232 5.048 1.985 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.206 1.697 2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.250 3.167 0.623 1.00 0.00 H new ATOM 493 N ARG A 34 -3.110 2.790 6.010 1.00 0.00 N ATOM 494 CA ARG A 34 -3.449 1.482 6.559 1.00 0.00 C ATOM 495 C ARG A 34 -3.869 0.484 5.482 1.00 0.00 C ATOM 496 O ARG A 34 -3.492 -0.686 5.537 1.00 0.00 O ATOM 497 CB ARG A 34 -4.568 1.617 7.592 1.00 0.00 C ATOM 498 CG ARG A 34 -4.322 2.704 8.626 1.00 0.00 C ATOM 499 CD ARG A 34 -5.087 2.427 9.909 1.00 0.00 C ATOM 500 NE ARG A 34 -4.344 2.852 11.093 1.00 0.00 N ATOM 501 CZ ARG A 34 -4.216 4.122 11.471 1.00 0.00 C ATOM 502 NH1 ARG A 34 -4.771 5.094 10.757 1.00 0.00 N ATOM 503 NH2 ARG A 34 -3.531 4.422 12.566 1.00 0.00 N ATOM 0 H ARG A 34 -3.848 3.489 6.098 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.546 1.095 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.504 1.826 7.074 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.694 0.663 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.256 2.769 8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.624 3.670 8.221 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.046 2.944 9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.302 1.361 9.980 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.897 2.134 11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.299 4.870 9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.669 6.065 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.102 3.680 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.433 5.395 12.856 1.00 0.00 H new ATOM 517 N ASN A 35 -4.665 0.932 4.516 1.00 0.00 N ATOM 518 CA ASN A 35 -5.137 0.044 3.458 1.00 0.00 C ATOM 519 C ASN A 35 -4.079 -0.167 2.380 1.00 0.00 C ATOM 520 O ASN A 35 -4.230 0.277 1.239 1.00 0.00 O ATOM 521 CB ASN A 35 -6.431 0.578 2.842 1.00 0.00 C ATOM 522 CG ASN A 35 -7.653 -0.133 3.390 1.00 0.00 C ATOM 523 OD1 ASN A 35 -7.610 -1.331 3.671 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.749 0.598 3.548 1.00 0.00 N ATOM 0 H ASN A 35 -4.994 1.895 4.443 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.339 -0.925 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.513 1.647 3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.395 0.456 1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.599 0.170 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.741 1.588 3.303 1.00 0.00 H new ATOM 531 N MET A 36 -3.012 -0.864 2.754 1.00 0.00 N ATOM 532 CA MET A 36 -1.920 -1.164 1.839 1.00 0.00 C ATOM 533 C MET A 36 -2.433 -1.832 0.565 1.00 0.00 C ATOM 534 O MET A 36 -1.773 -1.787 -0.472 1.00 0.00 O ATOM 535 CB MET A 36 -0.902 -2.075 2.536 1.00 0.00 C ATOM 536 CG MET A 36 0.081 -2.747 1.592 1.00 0.00 C ATOM 537 SD MET A 36 -0.405 -4.433 1.180 1.00 0.00 S ATOM 538 CE MET A 36 0.690 -5.372 2.241 1.00 0.00 C ATOM 0 H MET A 36 -2.881 -1.235 3.695 1.00 0.00 H new ATOM 0 HA MET A 36 -1.441 -0.227 1.557 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.344 -1.487 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.439 -2.844 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.160 -2.161 0.677 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.070 -2.758 2.050 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.043 -6.256 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.542 -4.754 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.152 -5.679 3.138 1.00 0.00 H new ATOM 548 N CYS A 37 -3.605 -2.460 0.642 1.00 0.00 N ATOM 549 CA CYS A 37 -4.166 -3.133 -0.521 1.00 0.00 C ATOM 550 C CYS A 37 -4.654 -2.123 -1.557 1.00 0.00 C ATOM 551 O CYS A 37 -4.283 -2.196 -2.725 1.00 0.00 O ATOM 552 CB CYS A 37 -5.279 -4.117 -0.113 1.00 0.00 C ATOM 553 SG CYS A 37 -6.935 -3.388 0.127 1.00 0.00 S ATOM 0 H CYS A 37 -4.175 -2.515 1.486 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.373 -3.719 -0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.351 -4.892 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.982 -4.609 0.813 1.00 0.00 H new ATOM 558 N ALA A 38 -5.465 -1.168 -1.124 1.00 0.00 N ATOM 559 CA ALA A 38 -5.977 -0.142 -2.029 1.00 0.00 C ATOM 560 C ALA A 38 -4.838 0.620 -2.679 1.00 0.00 C ATOM 561 O ALA A 38 -4.982 1.154 -3.778 1.00 0.00 O ATOM 562 CB ALA A 38 -6.904 0.810 -1.289 1.00 0.00 C ATOM 0 H ALA A 38 -5.782 -1.080 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.548 -0.636 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.275 1.567 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.745 0.252 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.358 1.294 -0.480 1.00 0.00 H new ATOM 568 N LEU A 39 -3.704 0.661 -2.000 1.00 0.00 N ATOM 569 CA LEU A 39 -2.539 1.352 -2.520 1.00 0.00 C ATOM 570 C LEU A 39 -1.792 0.440 -3.477 1.00 0.00 C ATOM 571 O LEU A 39 -1.339 0.861 -4.541 1.00 0.00 O ATOM 572 CB LEU A 39 -1.630 1.761 -1.361 1.00 0.00 C ATOM 573 CG LEU A 39 -1.392 3.269 -1.182 1.00 0.00 C ATOM 574 CD1 LEU A 39 0.049 3.639 -1.476 1.00 0.00 C ATOM 575 CD2 LEU A 39 -2.316 4.090 -2.059 1.00 0.00 C ATOM 0 H LEU A 39 -3.566 0.224 -1.089 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.853 2.247 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.056 1.370 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.663 1.276 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.610 3.498 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.184 4.712 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.709 3.101 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.291 3.370 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.117 5.151 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.144 3.838 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.352 3.873 -1.799 1.00 0.00 H new ATOM 587 N CYS A 40 -1.687 -0.822 -3.087 1.00 0.00 N ATOM 588 CA CYS A 40 -1.012 -1.819 -3.903 1.00 0.00 C ATOM 589 C CYS A 40 -1.718 -1.963 -5.245 1.00 0.00 C ATOM 590 O CYS A 40 -1.096 -2.275 -6.259 1.00 0.00 O ATOM 591 CB CYS A 40 -0.946 -3.171 -3.173 1.00 0.00 C ATOM 592 SG CYS A 40 -2.411 -4.239 -3.390 1.00 0.00 S ATOM 0 H CYS A 40 -2.062 -1.180 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 40 0.010 -1.486 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.066 -3.712 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.805 -2.985 -2.108 1.00 0.00 H new ATOM 597 N CYS A 41 -3.029 -1.746 -5.237 1.00 0.00 N ATOM 598 CA CYS A 41 -3.828 -1.860 -6.441 1.00 0.00 C ATOM 599 C CYS A 41 -3.929 -0.533 -7.191 1.00 0.00 C ATOM 600 O CYS A 41 -3.957 -0.505 -8.421 1.00 0.00 O ATOM 601 CB CYS A 41 -5.219 -2.366 -6.067 1.00 0.00 C ATOM 602 SG CYS A 41 -6.491 -1.074 -5.850 1.00 0.00 S ATOM 0 H CYS A 41 -3.558 -1.489 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.339 -2.567 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.556 -3.057 -6.840 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.143 -2.936 -5.141 1.00 0.00 H new ATOM 607 N GLU A 42 -4.028 0.556 -6.441 1.00 0.00 N ATOM 608 CA GLU A 42 -4.180 1.882 -7.046 1.00 0.00 C ATOM 609 C GLU A 42 -2.908 2.729 -6.996 1.00 0.00 C ATOM 610 O GLU A 42 -2.987 3.958 -7.028 1.00 0.00 O ATOM 611 CB GLU A 42 -5.321 2.643 -6.368 1.00 0.00 C ATOM 612 CG GLU A 42 -6.685 1.999 -6.563 1.00 0.00 C ATOM 613 CD GLU A 42 -7.742 2.994 -7.006 1.00 0.00 C ATOM 614 OE1 GLU A 42 -7.807 3.291 -8.217 1.00 0.00 O ATOM 615 OE2 GLU A 42 -8.504 3.475 -6.141 1.00 0.00 O ATOM 0 H GLU A 42 -4.007 0.554 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.405 1.709 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.113 2.717 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.350 3.660 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.605 1.205 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.999 1.532 -5.629 1.00 0.00 H new ATOM 622 N HIS A 43 -1.739 2.099 -6.930 1.00 0.00 N ATOM 623 CA HIS A 43 -0.491 2.864 -6.893 1.00 0.00 C ATOM 624 C HIS A 43 -0.037 3.264 -8.296 1.00 0.00 C ATOM 625 O HIS A 43 -0.549 2.758 -9.295 1.00 0.00 O ATOM 626 CB HIS A 43 0.615 2.094 -6.180 1.00 0.00 C ATOM 627 CG HIS A 43 0.813 0.697 -6.661 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.765 0.327 -7.989 1.00 0.00 N ATOM 629 CD2 HIS A 43 1.083 -0.425 -5.967 1.00 0.00 C ATOM 630 CE1 HIS A 43 1.000 -0.971 -8.088 1.00 0.00 C ATOM 631 NE2 HIS A 43 1.197 -1.450 -6.873 1.00 0.00 N ATOM 0 H HIS A 43 -1.626 1.086 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.693 3.774 -6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.551 2.640 -6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.391 2.068 -5.114 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.190 -0.504 -4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.026 -1.541 -9.005 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.401 -2.423 -6.645 1.00 0.00 H new ATOM 640 N PRO A 44 0.921 4.206 -8.383 1.00 0.00 N ATOM 641 CA PRO A 44 1.440 4.715 -9.660 1.00 0.00 C ATOM 642 C PRO A 44 2.341 3.724 -10.405 1.00 0.00 C ATOM 643 O PRO A 44 3.432 4.084 -10.847 1.00 0.00 O ATOM 644 CB PRO A 44 2.245 5.964 -9.257 1.00 0.00 C ATOM 645 CG PRO A 44 1.913 6.215 -7.822 1.00 0.00 C ATOM 646 CD PRO A 44 1.553 4.880 -7.244 1.00 0.00 C ATOM 0 HA PRO A 44 0.623 4.911 -10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.314 5.799 -9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.976 6.820 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.761 6.653 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.084 6.917 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.431 4.341 -6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.872 4.973 -6.398 1.00 0.00 H new ATOM 654 N GLY A 45 1.875 2.488 -10.567 1.00 0.00 N ATOM 655 CA GLY A 45 2.650 1.492 -11.288 1.00 0.00 C ATOM 656 C GLY A 45 3.409 0.541 -10.384 1.00 0.00 C ATOM 657 O GLY A 45 3.518 -0.648 -10.681 1.00 0.00 O ATOM 0 H GLY A 45 0.977 2.159 -10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.981 0.916 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.358 1.999 -11.943 1.00 0.00 H new ATOM 661 N GLY A 46 3.942 1.059 -9.285 1.00 0.00 N ATOM 662 CA GLY A 46 4.693 0.219 -8.367 1.00 0.00 C ATOM 663 C GLY A 46 5.787 0.971 -7.636 1.00 0.00 C ATOM 664 O GLY A 46 6.969 0.660 -7.780 1.00 0.00 O ATOM 0 H GLY A 46 3.870 2.039 -9.012 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.009 -0.215 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.136 -0.609 -8.921 1.00 0.00 H new ATOM 668 N PHE A 47 5.387 1.958 -6.846 1.00 0.00 N ATOM 669 CA PHE A 47 6.329 2.765 -6.074 1.00 0.00 C ATOM 670 C PHE A 47 7.067 1.898 -5.045 1.00 0.00 C ATOM 671 O PHE A 47 7.690 0.903 -5.414 1.00 0.00 O ATOM 672 CB PHE A 47 5.573 3.908 -5.395 1.00 0.00 C ATOM 673 CG PHE A 47 4.296 3.468 -4.739 1.00 0.00 C ATOM 674 CD1 PHE A 47 4.129 2.154 -4.314 1.00 0.00 C ATOM 675 CD2 PHE A 47 3.253 4.358 -4.565 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.954 1.747 -3.727 1.00 0.00 C ATOM 677 CE2 PHE A 47 2.073 3.953 -3.980 1.00 0.00 C ATOM 678 CZ PHE A 47 1.924 2.643 -3.561 1.00 0.00 C ATOM 0 H PHE A 47 4.410 2.222 -6.721 1.00 0.00 H new ATOM 0 HA PHE A 47 7.080 3.187 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.219 4.367 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.347 4.676 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.932 1.445 -4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.364 5.382 -4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.840 0.725 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.265 4.658 -3.849 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.999 2.324 -3.104 1.00 0.00 H new ATOM 688 N GLU A 48 7.006 2.262 -3.757 1.00 0.00 N ATOM 689 CA GLU A 48 7.687 1.483 -2.730 1.00 0.00 C ATOM 690 C GLU A 48 7.131 1.747 -1.328 1.00 0.00 C ATOM 691 O GLU A 48 7.258 2.851 -0.798 1.00 0.00 O ATOM 692 CB GLU A 48 9.181 1.797 -2.746 1.00 0.00 C ATOM 693 CG GLU A 48 9.493 3.275 -2.918 1.00 0.00 C ATOM 694 CD GLU A 48 10.937 3.524 -3.304 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.794 3.576 -2.397 1.00 0.00 O ATOM 696 OE2 GLU A 48 11.211 3.669 -4.513 1.00 0.00 O ATOM 0 H GLU A 48 6.500 3.077 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 48 7.516 0.432 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.627 1.447 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.652 1.239 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.839 3.694 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.274 3.800 -1.988 1.00 0.00 H new ATOM 703 N TYR A 49 6.559 0.712 -0.716 1.00 0.00 N ATOM 704 CA TYR A 49 6.032 0.810 0.643 1.00 0.00 C ATOM 705 C TYR A 49 6.597 -0.285 1.515 1.00 0.00 C ATOM 706 O TYR A 49 7.148 -1.272 1.031 1.00 0.00 O ATOM 707 CB TYR A 49 4.522 0.727 0.704 1.00 0.00 C ATOM 708 CG TYR A 49 3.889 -0.429 -0.010 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.092 -1.730 0.421 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.052 -0.212 -1.088 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.481 -2.789 -0.211 1.00 0.00 C ATOM 712 CE2 TYR A 49 2.430 -1.259 -1.722 1.00 0.00 C ATOM 713 CZ TYR A 49 2.646 -2.546 -1.286 1.00 0.00 C ATOM 714 OH TYR A 49 2.016 -3.588 -1.920 1.00 0.00 O ATOM 0 H TYR A 49 6.449 -0.208 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 49 6.336 1.792 1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.224 0.686 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.112 1.649 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.739 -1.916 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.885 0.796 -1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.652 -3.800 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.774 -1.073 -2.559 1.00 0.00 H new ATOM 0 HH TYR A 49 1.835 -3.343 -2.851 1.00 0.00 H new ATOM 724 N SER A 50 6.437 -0.100 2.808 1.00 0.00 N ATOM 725 CA SER A 50 6.907 -1.068 3.780 1.00 0.00 C ATOM 726 C SER A 50 5.991 -1.063 4.989 1.00 0.00 C ATOM 727 O SER A 50 5.870 -0.056 5.683 1.00 0.00 O ATOM 728 CB SER A 50 8.337 -0.748 4.200 1.00 0.00 C ATOM 729 OG SER A 50 9.267 -1.579 3.526 1.00 0.00 O ATOM 0 H SER A 50 5.982 0.718 3.214 1.00 0.00 H new ATOM 0 HA SER A 50 6.896 -2.059 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.557 0.298 3.985 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.441 -0.880 5.277 1.00 0.00 H new ATOM 0 HG SER A 50 10.176 -1.352 3.812 1.00 0.00 H new ATOM 735 N ASN A 51 5.330 -2.185 5.232 1.00 0.00 N ATOM 736 CA ASN A 51 4.412 -2.283 6.353 1.00 0.00 C ATOM 737 C ASN A 51 5.069 -1.809 7.644 1.00 0.00 C ATOM 738 O ASN A 51 6.200 -2.179 7.955 1.00 0.00 O ATOM 739 CB ASN A 51 3.907 -3.709 6.524 1.00 0.00 C ATOM 740 CG ASN A 51 3.295 -4.267 5.254 1.00 0.00 C ATOM 741 OD1 ASN A 51 3.951 -4.343 4.216 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.030 -4.663 5.334 1.00 0.00 N ATOM 0 H ASN A 51 5.412 -3.033 4.672 1.00 0.00 H new ATOM 0 HA ASN A 51 3.563 -1.635 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.733 -4.348 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.165 -3.735 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.564 -5.049 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.525 -4.581 6.216 1.00 0.00 H new ATOM 749 N GLY A 52 4.344 -0.987 8.386 1.00 0.00 N ATOM 750 CA GLY A 52 4.855 -0.462 9.643 1.00 0.00 C ATOM 751 C GLY A 52 4.764 1.052 9.723 1.00 0.00 C ATOM 752 O GLY A 52 4.382 1.703 8.755 1.00 0.00 O ATOM 0 H GLY A 52 3.406 -0.670 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.296 -0.900 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.894 -0.767 9.764 1.00 0.00 H new ATOM 756 N PRO A 53 5.098 1.649 10.880 1.00 0.00 N ATOM 757 CA PRO A 53 5.038 3.095 11.073 1.00 0.00 C ATOM 758 C PRO A 53 6.349 3.800 10.726 1.00 0.00 C ATOM 759 O PRO A 53 7.343 3.664 11.440 1.00 0.00 O ATOM 760 CB PRO A 53 4.762 3.199 12.568 1.00 0.00 C ATOM 761 CG PRO A 53 5.501 2.044 13.163 1.00 0.00 C ATOM 762 CD PRO A 53 5.545 0.962 12.105 1.00 0.00 C ATOM 0 HA PRO A 53 4.297 3.571 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.115 4.148 12.972 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.695 3.140 12.780 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.508 2.339 13.456 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.999 1.686 14.062 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.550 0.555 11.991 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.890 0.128 12.358 1.00 0.00 H new ATOM 770 N CYS A 54 6.343 4.568 9.638 1.00 0.00 N ATOM 771 CA CYS A 54 7.530 5.307 9.213 1.00 0.00 C ATOM 772 C CYS A 54 7.193 6.774 8.964 1.00 0.00 C ATOM 773 O CYS A 54 7.797 7.669 9.555 1.00 0.00 O ATOM 774 CB CYS A 54 8.134 4.701 7.942 1.00 0.00 C ATOM 775 SG CYS A 54 8.092 2.881 7.869 1.00 0.00 S ATOM 0 H CYS A 54 5.530 4.695 9.035 1.00 0.00 H new ATOM 0 HA CYS A 54 8.262 5.238 10.017 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.601 5.098 7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.169 5.030 7.856 1.00 0.00 H new ATOM 780 N GLU A 55 6.229 7.009 8.079 1.00 0.00 N ATOM 781 CA GLU A 55 5.811 8.365 7.742 1.00 0.00 C ATOM 782 C GLU A 55 4.805 8.895 8.759 1.00 0.00 C ATOM 783 O GLU A 55 3.985 9.760 8.384 1.00 0.00 O ATOM 784 CB GLU A 55 5.205 8.396 6.337 1.00 0.00 C ATOM 785 CG GLU A 55 6.237 8.582 5.239 1.00 0.00 C ATOM 786 CD GLU A 55 7.262 7.466 5.209 1.00 0.00 C ATOM 787 OE1 GLU A 55 6.949 6.385 4.667 1.00 0.00 O ATOM 788 OE2 GLU A 55 8.380 7.671 5.728 1.00 0.00 O ATOM 789 OXT GLU A 55 4.848 8.446 9.924 1.00 0.00 O ATOM 0 H GLU A 55 5.722 6.277 7.582 1.00 0.00 H new ATOM 0 HA GLU A 55 6.691 9.008 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.663 7.466 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.476 9.205 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.731 8.632 4.275 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.747 9.535 5.382 1.00 0.00 H new