USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 353 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 23 SER OG : rot -29:sc= -0.402 USER MOD Set 1.2: A 38 MET CE :methyl -128:sc= -0.63 (180deg=-6.17!) USER MOD Single : A 1 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.12) USER MOD Single : A 1 ASN N :NH3+ -146:sc= 0.0476 (180deg=-0.47) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 166:sc= -1.08 (180deg=-1.83) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.44) USER MOD Single : A 26 ASN : amide:sc= -4.96! C(o=-5!,f=-3.9!) USER MOD Single : A 31 ASN : amide:sc= -2.51 K(o=-2.5,f=-3.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -22:sc= -3.68! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -24.203 8.324 -12.737 1.00 0.00 N ATOM 2 CA ASN A 1 -23.892 7.176 -11.838 1.00 0.00 C ATOM 3 C ASN A 1 -24.212 7.554 -10.393 1.00 0.00 C ATOM 4 O ASN A 1 -24.725 8.620 -10.118 1.00 0.00 O ATOM 5 CB ASN A 1 -22.407 6.827 -11.952 1.00 0.00 C ATOM 6 CG ASN A 1 -22.032 6.666 -13.426 1.00 0.00 C ATOM 7 OD1 ASN A 1 -21.002 7.141 -13.857 1.00 0.00 O ATOM 8 ND2 ASN A 1 -22.834 6.014 -14.222 1.00 0.00 N ATOM 0 H1 ASN A 1 -24.545 7.966 -13.652 1.00 0.00 H new ATOM 0 H2 ASN A 1 -24.937 8.917 -12.301 1.00 0.00 H new ATOM 0 H3 ASN A 1 -23.344 8.891 -12.887 1.00 0.00 H new ATOM 0 HA ASN A 1 -24.494 6.316 -12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -21.802 7.611 -11.496 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -22.197 5.905 -11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -22.595 5.903 -15.207 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -23.700 5.615 -13.859 1.00 0.00 H new ATOM 14 N ASP A 2 -23.913 6.684 -9.466 1.00 0.00 N ATOM 15 CA ASP A 2 -24.200 6.986 -8.035 1.00 0.00 C ATOM 16 C ASP A 2 -23.249 8.076 -7.532 1.00 0.00 C ATOM 17 O ASP A 2 -22.094 8.131 -7.911 1.00 0.00 O ATOM 18 CB ASP A 2 -24.016 5.713 -7.207 1.00 0.00 C ATOM 19 CG ASP A 2 -25.069 4.686 -7.625 1.00 0.00 C ATOM 20 OD1 ASP A 2 -26.030 5.077 -8.264 1.00 0.00 O ATOM 21 OD2 ASP A 2 -24.893 3.523 -7.299 1.00 0.00 O ATOM 0 H ASP A 2 -23.482 5.776 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 2 -25.226 7.341 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.015 5.308 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.112 5.938 -6.145 1.00 0.00 H new ATOM 26 N ILE A 3 -23.725 8.947 -6.681 1.00 0.00 N ATOM 27 CA ILE A 3 -22.854 10.037 -6.152 1.00 0.00 C ATOM 28 C ILE A 3 -21.945 9.488 -5.054 1.00 0.00 C ATOM 29 O ILE A 3 -21.087 10.179 -4.544 1.00 0.00 O ATOM 30 CB ILE A 3 -23.724 11.148 -5.564 1.00 0.00 C ATOM 31 CG1 ILE A 3 -24.653 11.694 -6.648 1.00 0.00 C ATOM 32 CG2 ILE A 3 -22.828 12.274 -5.042 1.00 0.00 C ATOM 33 CD1 ILE A 3 -25.623 12.699 -6.024 1.00 0.00 C ATOM 0 H ILE A 3 -24.682 8.950 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 3 -22.247 10.432 -6.967 1.00 0.00 H new ATOM 0 HB ILE A 3 -24.320 10.749 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -24.070 12.174 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -25.206 10.878 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -23.447 13.067 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.166 11.883 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -22.232 12.675 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -26.287 13.090 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -26.214 12.204 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -25.060 13.520 -5.579 1.00 0.00 H new ATOM 45 N ARG A 4 -22.121 8.253 -4.685 1.00 0.00 N ATOM 46 CA ARG A 4 -21.261 7.674 -3.619 1.00 0.00 C ATOM 47 C ARG A 4 -19.798 7.814 -4.027 1.00 0.00 C ATOM 48 O ARG A 4 -18.918 7.922 -3.197 1.00 0.00 O ATOM 49 CB ARG A 4 -21.595 6.194 -3.442 1.00 0.00 C ATOM 50 CG ARG A 4 -23.019 6.051 -2.908 1.00 0.00 C ATOM 51 CD ARG A 4 -23.311 4.573 -2.649 1.00 0.00 C ATOM 52 NE ARG A 4 -23.005 3.791 -3.879 1.00 0.00 N ATOM 53 CZ ARG A 4 -23.158 2.496 -3.886 1.00 0.00 C ATOM 54 NH1 ARG A 4 -23.609 1.885 -2.826 1.00 0.00 N ATOM 55 NH2 ARG A 4 -22.861 1.810 -4.959 1.00 0.00 N ATOM 0 H ARG A 4 -22.821 7.621 -5.074 1.00 0.00 H new ATOM 0 HA ARG A 4 -21.436 8.201 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -21.499 5.673 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.889 5.731 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -23.135 6.624 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -23.732 6.455 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.709 4.212 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -24.356 4.440 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 4 -22.675 4.269 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -23.843 2.420 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -23.728 0.872 -2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -22.510 2.288 -5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.980 0.797 -4.966 1.00 0.00 H new ATOM 69 N THR A 5 -19.531 7.809 -5.305 1.00 0.00 N ATOM 70 CA THR A 5 -18.126 7.934 -5.771 1.00 0.00 C ATOM 71 C THR A 5 -17.586 9.312 -5.399 1.00 0.00 C ATOM 72 O THR A 5 -16.487 9.681 -5.762 1.00 0.00 O ATOM 73 CB THR A 5 -18.077 7.752 -7.291 1.00 0.00 C ATOM 74 OG1 THR A 5 -16.860 7.118 -7.648 1.00 0.00 O ATOM 75 CG2 THR A 5 -18.162 9.116 -7.985 1.00 0.00 C ATOM 0 H THR A 5 -20.228 7.724 -6.045 1.00 0.00 H new ATOM 0 HA THR A 5 -17.513 7.168 -5.295 1.00 0.00 H new ATOM 0 HB THR A 5 -18.920 7.138 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 5 -16.826 6.999 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 5 -18.126 8.977 -9.066 1.00 0.00 H new ATOM 0 HG22 THR A 5 -19.097 9.605 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.323 9.737 -7.671 1.00 0.00 H new ATOM 83 N ALA A 6 -18.349 10.075 -4.670 1.00 0.00 N ATOM 84 CA ALA A 6 -17.879 11.427 -4.268 1.00 0.00 C ATOM 85 C ALA A 6 -16.729 11.280 -3.269 1.00 0.00 C ATOM 86 O ALA A 6 -16.153 12.255 -2.825 1.00 0.00 O ATOM 87 CB ALA A 6 -19.033 12.195 -3.623 1.00 0.00 C ATOM 0 H ALA A 6 -19.278 9.820 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 6 -17.531 11.975 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -18.690 13.187 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -19.850 12.292 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -19.383 11.655 -2.743 1.00 0.00 H new ATOM 93 N ALA A 7 -16.383 10.070 -2.917 1.00 0.00 N ATOM 94 CA ALA A 7 -15.264 9.869 -1.956 1.00 0.00 C ATOM 95 C ALA A 7 -13.993 10.501 -2.525 1.00 0.00 C ATOM 96 O ALA A 7 -13.772 10.501 -3.720 1.00 0.00 O ATOM 97 CB ALA A 7 -15.032 8.374 -1.729 1.00 0.00 C ATOM 0 H ALA A 7 -16.827 9.215 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.517 10.338 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.212 8.236 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.938 7.923 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.781 7.897 -2.676 1.00 0.00 H new ATOM 103 N ASP A 8 -13.159 11.038 -1.679 1.00 0.00 N ATOM 104 CA ASP A 8 -11.902 11.666 -2.167 1.00 0.00 C ATOM 105 C ASP A 8 -10.756 10.674 -2.003 1.00 0.00 C ATOM 106 O ASP A 8 -9.604 10.986 -2.235 1.00 0.00 O ATOM 107 CB ASP A 8 -11.619 12.932 -1.357 1.00 0.00 C ATOM 108 CG ASP A 8 -11.353 12.567 0.107 1.00 0.00 C ATOM 109 OD1 ASP A 8 -11.063 11.411 0.367 1.00 0.00 O ATOM 110 OD2 ASP A 8 -11.447 13.450 0.942 1.00 0.00 O ATOM 0 H ASP A 8 -13.295 11.069 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.002 11.933 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.758 13.455 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.467 13.613 -1.422 1.00 0.00 H new ATOM 115 N MET A 9 -11.068 9.472 -1.608 1.00 0.00 N ATOM 116 CA MET A 9 -10.013 8.441 -1.429 1.00 0.00 C ATOM 117 C MET A 9 -8.796 9.058 -0.741 1.00 0.00 C ATOM 118 O MET A 9 -7.693 8.565 -0.857 1.00 0.00 O ATOM 119 CB MET A 9 -9.611 7.887 -2.794 1.00 0.00 C ATOM 120 CG MET A 9 -10.651 6.862 -3.247 1.00 0.00 C ATOM 121 SD MET A 9 -9.961 5.198 -3.088 1.00 0.00 S ATOM 122 CE MET A 9 -9.840 5.185 -1.283 1.00 0.00 C ATOM 0 H MET A 9 -12.016 9.159 -1.400 1.00 0.00 H new ATOM 0 HA MET A 9 -10.398 7.632 -0.808 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.539 8.696 -3.521 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.627 7.423 -2.736 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.554 6.953 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 9 -10.938 7.051 -4.281 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.670 4.165 -0.937 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.010 5.818 -0.969 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.767 5.564 -0.853 1.00 0.00 H new ATOM 132 N GLU A 10 -8.984 10.127 -0.027 1.00 0.00 N ATOM 133 CA GLU A 10 -7.833 10.768 0.664 1.00 0.00 C ATOM 134 C GLU A 10 -7.364 9.871 1.814 1.00 0.00 C ATOM 135 O GLU A 10 -6.299 10.062 2.366 1.00 0.00 O ATOM 136 CB GLU A 10 -8.260 12.128 1.214 1.00 0.00 C ATOM 137 CG GLU A 10 -7.029 12.876 1.728 1.00 0.00 C ATOM 138 CD GLU A 10 -7.460 14.187 2.383 1.00 0.00 C ATOM 139 OE1 GLU A 10 -8.652 14.446 2.415 1.00 0.00 O ATOM 140 OE2 GLU A 10 -6.592 14.908 2.843 1.00 0.00 O ATOM 0 H GLU A 10 -9.884 10.586 0.109 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.015 10.906 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.754 12.709 0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.982 11.997 2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.490 12.259 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.344 13.078 0.905 1.00 0.00 H new ATOM 147 N HIS A 11 -8.147 8.890 2.174 1.00 0.00 N ATOM 148 CA HIS A 11 -7.736 7.986 3.284 1.00 0.00 C ATOM 149 C HIS A 11 -7.221 6.672 2.697 1.00 0.00 C ATOM 150 O HIS A 11 -7.913 5.988 1.970 1.00 0.00 O ATOM 151 CB HIS A 11 -8.941 7.700 4.184 1.00 0.00 C ATOM 152 CG HIS A 11 -9.400 8.977 4.834 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.413 9.758 4.296 1.00 0.00 N ATOM 154 CD2 HIS A 11 -8.998 9.621 5.980 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.584 10.817 5.108 1.00 0.00 C ATOM 156 NE2 HIS A 11 -9.748 10.779 6.147 1.00 0.00 N ATOM 0 H HIS A 11 -9.049 8.677 1.749 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.950 8.462 3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.751 7.267 3.597 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.673 6.968 4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.220 9.280 6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -11.308 11.600 4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.675 11.458 6.905 1.00 0.00 H new ATOM 165 N CYS A 12 -6.004 6.318 3.011 1.00 0.00 N ATOM 166 CA CYS A 12 -5.429 5.051 2.481 1.00 0.00 C ATOM 167 C CYS A 12 -5.457 3.991 3.582 1.00 0.00 C ATOM 168 O CYS A 12 -5.187 4.273 4.732 1.00 0.00 O ATOM 169 CB CYS A 12 -3.984 5.296 2.050 1.00 0.00 C ATOM 170 SG CYS A 12 -3.943 6.582 0.779 1.00 0.00 S ATOM 0 H CYS A 12 -5.382 6.855 3.615 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.012 4.709 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.384 5.599 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.547 4.375 1.664 1.00 0.00 H new ATOM 175 N ALA A 13 -5.786 2.774 3.243 1.00 0.00 N ATOM 176 CA ALA A 13 -5.836 1.704 4.279 1.00 0.00 C ATOM 177 C ALA A 13 -5.174 0.432 3.746 1.00 0.00 C ATOM 178 O ALA A 13 -5.169 0.173 2.560 1.00 0.00 O ATOM 179 CB ALA A 13 -7.294 1.403 4.620 1.00 0.00 C ATOM 0 H ALA A 13 -6.022 2.475 2.297 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.306 2.041 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.336 0.621 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.772 2.305 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.816 1.068 3.723 1.00 0.00 H new ATOM 185 N ASP A 14 -4.628 -0.372 4.618 1.00 0.00 N ATOM 186 CA ASP A 14 -3.985 -1.634 4.161 1.00 0.00 C ATOM 187 C ASP A 14 -5.067 -2.641 3.775 1.00 0.00 C ATOM 188 O ASP A 14 -6.084 -2.749 4.430 1.00 0.00 O ATOM 189 CB ASP A 14 -3.132 -2.213 5.290 1.00 0.00 C ATOM 190 CG ASP A 14 -1.949 -1.286 5.560 1.00 0.00 C ATOM 191 OD1 ASP A 14 -1.453 -0.702 4.610 1.00 0.00 O ATOM 192 OD2 ASP A 14 -1.557 -1.176 6.711 1.00 0.00 O ATOM 0 H ASP A 14 -4.600 -0.209 5.624 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.351 -1.427 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.732 -2.326 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.775 -3.206 5.018 1.00 0.00 H new ATOM 197 N GLU A 15 -4.859 -3.382 2.724 1.00 0.00 N ATOM 198 CA GLU A 15 -5.886 -4.379 2.316 1.00 0.00 C ATOM 199 C GLU A 15 -6.122 -5.347 3.472 1.00 0.00 C ATOM 200 O GLU A 15 -5.194 -5.815 4.104 1.00 0.00 O ATOM 201 CB GLU A 15 -5.389 -5.172 1.103 1.00 0.00 C ATOM 202 CG GLU A 15 -6.340 -4.989 -0.085 1.00 0.00 C ATOM 203 CD GLU A 15 -6.659 -6.356 -0.696 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.708 -7.323 0.047 1.00 0.00 O ATOM 205 OE2 GLU A 15 -6.853 -6.413 -1.899 1.00 0.00 O ATOM 0 H GLU A 15 -4.028 -3.341 2.133 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.810 -3.861 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.388 -4.839 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.315 -6.229 1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.258 -4.501 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.884 -4.341 -0.834 1.00 0.00 H new ATOM 212 N LYS A 16 -7.355 -5.661 3.749 1.00 0.00 N ATOM 213 CA LYS A 16 -7.653 -6.608 4.856 1.00 0.00 C ATOM 214 C LYS A 16 -7.499 -8.041 4.346 1.00 0.00 C ATOM 215 O LYS A 16 -7.223 -8.953 5.099 1.00 0.00 O ATOM 216 CB LYS A 16 -9.089 -6.391 5.331 1.00 0.00 C ATOM 217 CG LYS A 16 -10.059 -6.769 4.212 1.00 0.00 C ATOM 218 CD LYS A 16 -11.486 -6.451 4.653 1.00 0.00 C ATOM 219 CE LYS A 16 -12.483 -7.067 3.666 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.880 -6.048 2.652 1.00 0.00 N ATOM 0 H LYS A 16 -8.172 -5.301 3.255 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.964 -6.437 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.286 -6.995 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.235 -5.349 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.816 -6.219 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.966 -7.829 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.663 -6.843 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.629 -5.372 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.035 -7.930 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.363 -7.426 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.557 -6.469 1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.324 -5.238 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.037 -5.726 2.135 1.00 0.00 H new ATOM 234 N ASN A 17 -7.685 -8.244 3.070 1.00 0.00 N ATOM 235 CA ASN A 17 -7.562 -9.618 2.509 1.00 0.00 C ATOM 236 C ASN A 17 -6.120 -9.878 2.060 1.00 0.00 C ATOM 237 O ASN A 17 -5.779 -10.972 1.660 1.00 0.00 O ATOM 238 CB ASN A 17 -8.508 -9.758 1.316 1.00 0.00 C ATOM 239 CG ASN A 17 -9.938 -9.478 1.777 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.407 -10.066 2.732 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.655 -8.592 1.143 1.00 0.00 N ATOM 0 H ASN A 17 -7.917 -7.517 2.393 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.826 -10.346 3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.224 -9.062 0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.438 -10.761 0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.608 -8.393 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.263 -8.098 0.341 1.00 0.00 H new ATOM 248 N PHE A 18 -5.268 -8.890 2.129 1.00 0.00 N ATOM 249 CA PHE A 18 -3.852 -9.106 1.709 1.00 0.00 C ATOM 250 C PHE A 18 -2.957 -9.130 2.949 1.00 0.00 C ATOM 251 O PHE A 18 -3.003 -8.239 3.774 1.00 0.00 O ATOM 252 CB PHE A 18 -3.407 -7.965 0.793 1.00 0.00 C ATOM 253 CG PHE A 18 -2.064 -8.298 0.186 1.00 0.00 C ATOM 254 CD1 PHE A 18 -2.002 -9.040 -0.998 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.885 -7.857 0.797 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.762 -9.344 -1.570 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.357 -8.158 0.224 1.00 0.00 C ATOM 258 CZ PHE A 18 0.419 -8.904 -0.959 1.00 0.00 C ATOM 0 H PHE A 18 -5.488 -7.949 2.455 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.774 -10.053 1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.145 -7.808 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.342 -7.035 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.912 -9.378 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.933 -7.284 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.715 -9.918 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.266 -7.815 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.376 -9.140 -1.400 1.00 0.00 H new ATOM 268 N ASP A 19 -2.137 -10.135 3.087 1.00 0.00 N ATOM 269 CA ASP A 19 -1.241 -10.198 4.274 1.00 0.00 C ATOM 270 C ASP A 19 -0.089 -9.211 4.067 1.00 0.00 C ATOM 271 O ASP A 19 0.974 -9.567 3.598 1.00 0.00 O ATOM 272 CB ASP A 19 -0.680 -11.615 4.418 1.00 0.00 C ATOM 273 CG ASP A 19 -1.833 -12.609 4.584 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.931 -12.168 4.877 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.596 -13.794 4.412 1.00 0.00 O ATOM 0 H ASP A 19 -2.049 -10.912 2.432 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.797 -9.941 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.087 -11.873 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.014 -11.668 5.279 1.00 0.00 H new ATOM 280 N CYS A 20 -0.300 -7.970 4.407 1.00 0.00 N ATOM 281 CA CYS A 20 0.772 -6.952 4.224 1.00 0.00 C ATOM 282 C CYS A 20 1.899 -7.216 5.219 1.00 0.00 C ATOM 283 O CYS A 20 3.063 -7.028 4.923 1.00 0.00 O ATOM 284 CB CYS A 20 0.181 -5.563 4.464 1.00 0.00 C ATOM 285 SG CYS A 20 -1.320 -5.385 3.469 1.00 0.00 S ATOM 0 H CYS A 20 -1.170 -7.616 4.804 1.00 0.00 H new ATOM 0 HA CYS A 20 1.172 -7.009 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.049 -5.429 5.521 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.905 -4.794 4.195 1.00 0.00 H new ATOM 290 N ARG A 21 1.561 -7.660 6.395 1.00 0.00 N ATOM 291 CA ARG A 21 2.605 -7.953 7.412 1.00 0.00 C ATOM 292 C ARG A 21 3.582 -8.972 6.823 1.00 0.00 C ATOM 293 O ARG A 21 4.785 -8.841 6.927 1.00 0.00 O ATOM 294 CB ARG A 21 1.923 -8.542 8.647 1.00 0.00 C ATOM 295 CG ARG A 21 2.812 -8.381 9.883 1.00 0.00 C ATOM 296 CD ARG A 21 4.138 -9.112 9.676 1.00 0.00 C ATOM 297 NE ARG A 21 4.829 -9.259 10.987 1.00 0.00 N ATOM 298 CZ ARG A 21 5.535 -8.272 11.459 1.00 0.00 C ATOM 299 NH1 ARG A 21 5.639 -7.164 10.779 1.00 0.00 N ATOM 300 NH2 ARG A 21 6.137 -8.391 12.611 1.00 0.00 N ATOM 0 H ARG A 21 0.602 -7.833 6.697 1.00 0.00 H new ATOM 0 HA ARG A 21 3.145 -7.048 7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.967 -8.045 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.709 -9.598 8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.997 -7.324 10.072 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.302 -8.778 10.761 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.961 -10.092 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.768 -8.557 8.980 1.00 0.00 H new ATOM 0 HE ARG A 21 4.750 -10.129 11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.168 -7.072 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.192 -6.390 11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.055 -9.258 13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.690 -7.617 12.980 1.00 0.00 H new ATOM 314 N ARG A 22 3.063 -9.984 6.188 1.00 0.00 N ATOM 315 CA ARG A 22 3.944 -11.014 5.577 1.00 0.00 C ATOM 316 C ARG A 22 4.713 -10.409 4.404 1.00 0.00 C ATOM 317 O ARG A 22 5.907 -10.584 4.270 1.00 0.00 O ATOM 318 CB ARG A 22 3.081 -12.172 5.079 1.00 0.00 C ATOM 319 CG ARG A 22 3.754 -12.817 3.871 1.00 0.00 C ATOM 320 CD ARG A 22 3.089 -14.159 3.562 1.00 0.00 C ATOM 321 NE ARG A 22 3.724 -14.753 2.354 1.00 0.00 N ATOM 322 CZ ARG A 22 3.471 -14.253 1.177 1.00 0.00 C ATOM 323 NH1 ARG A 22 2.666 -13.230 1.066 1.00 0.00 N ATOM 324 NH2 ARG A 22 4.024 -14.771 0.114 1.00 0.00 N ATOM 0 H ARG A 22 2.063 -10.142 6.066 1.00 0.00 H new ATOM 0 HA ARG A 22 4.656 -11.374 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.947 -12.908 5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.089 -11.811 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.680 -12.157 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.815 -12.964 4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.193 -14.834 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.021 -14.019 3.395 1.00 0.00 H new ATOM 0 HE ARG A 22 4.355 -15.549 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.238 -12.825 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.466 -12.836 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.655 -15.568 0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.825 -14.379 -0.807 1.00 0.00 H new ATOM 338 N SER A 23 4.037 -9.700 3.550 1.00 0.00 N ATOM 339 CA SER A 23 4.726 -9.083 2.387 1.00 0.00 C ATOM 340 C SER A 23 5.702 -8.014 2.889 1.00 0.00 C ATOM 341 O SER A 23 6.752 -7.802 2.317 1.00 0.00 O ATOM 342 CB SER A 23 3.684 -8.448 1.468 1.00 0.00 C ATOM 343 OG SER A 23 3.111 -7.320 2.115 1.00 0.00 O ATOM 0 H SER A 23 3.035 -9.520 3.607 1.00 0.00 H new ATOM 0 HA SER A 23 5.279 -9.842 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.147 -8.146 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.908 -9.174 1.223 1.00 0.00 H new ATOM 0 HG SER A 23 3.127 -7.456 3.085 1.00 0.00 H new ATOM 349 N LEU A 24 5.357 -7.334 3.948 1.00 0.00 N ATOM 350 CA LEU A 24 6.259 -6.273 4.484 1.00 0.00 C ATOM 351 C LEU A 24 7.557 -6.886 5.010 1.00 0.00 C ATOM 352 O LEU A 24 8.639 -6.436 4.690 1.00 0.00 O ATOM 353 CB LEU A 24 5.559 -5.543 5.632 1.00 0.00 C ATOM 354 CG LEU A 24 6.480 -4.443 6.172 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.541 -3.285 5.176 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.940 -3.932 7.506 1.00 0.00 C ATOM 0 H LEU A 24 4.489 -7.467 4.466 1.00 0.00 H new ATOM 0 HA LEU A 24 6.492 -5.577 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.621 -5.109 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.309 -6.246 6.426 1.00 0.00 H new ATOM 0 HG LEU A 24 7.480 -4.853 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.197 -2.506 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.929 -3.645 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.541 -2.878 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.596 -3.150 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.938 -3.527 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.900 -4.754 8.221 1.00 0.00 H new ATOM 368 N ARG A 25 7.464 -7.902 5.823 1.00 0.00 N ATOM 369 CA ARG A 25 8.699 -8.529 6.372 1.00 0.00 C ATOM 370 C ARG A 25 9.455 -9.224 5.238 1.00 0.00 C ATOM 371 O ARG A 25 10.641 -9.470 5.327 1.00 0.00 O ATOM 372 CB ARG A 25 8.324 -9.549 7.449 1.00 0.00 C ATOM 373 CG ARG A 25 7.502 -10.671 6.816 1.00 0.00 C ATOM 374 CD ARG A 25 6.945 -11.587 7.906 1.00 0.00 C ATOM 375 NE ARG A 25 6.271 -12.753 7.268 1.00 0.00 N ATOM 376 CZ ARG A 25 5.306 -13.375 7.891 1.00 0.00 C ATOM 377 NH1 ARG A 25 4.936 -12.982 9.080 1.00 0.00 N ATOM 378 NH2 ARG A 25 4.714 -14.390 7.326 1.00 0.00 N ATOM 0 H ARG A 25 6.588 -8.324 6.130 1.00 0.00 H new ATOM 0 HA ARG A 25 9.334 -7.762 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.224 -9.957 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.752 -9.066 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.685 -10.249 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.123 -11.245 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.750 -11.928 8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.239 -11.041 8.531 1.00 0.00 H new ATOM 0 HE ARG A 25 6.564 -13.066 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.401 -12.189 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.182 -13.468 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.004 -14.698 6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.960 -14.876 7.812 1.00 0.00 H new ATOM 392 N ASN A 26 8.771 -9.535 4.172 1.00 0.00 N ATOM 393 CA ASN A 26 9.436 -10.209 3.023 1.00 0.00 C ATOM 394 C ASN A 26 10.176 -9.167 2.187 1.00 0.00 C ATOM 395 O ASN A 26 10.837 -9.487 1.219 1.00 0.00 O ATOM 396 CB ASN A 26 8.372 -10.877 2.151 1.00 0.00 C ATOM 397 CG ASN A 26 7.745 -12.049 2.905 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.364 -12.633 3.772 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.529 -12.415 2.612 1.00 0.00 N ATOM 0 H ASN A 26 7.776 -9.350 4.047 1.00 0.00 H new ATOM 0 HA ASN A 26 10.139 -10.955 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.603 -10.153 1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.819 -11.228 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.096 -13.192 3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.010 -11.924 1.884 1.00 0.00 H new ATOM 406 N GLY A 27 10.064 -7.921 2.552 1.00 0.00 N ATOM 407 CA GLY A 27 10.753 -6.851 1.779 1.00 0.00 C ATOM 408 C GLY A 27 9.902 -6.477 0.565 1.00 0.00 C ATOM 409 O GLY A 27 10.388 -5.923 -0.399 1.00 0.00 O ATOM 0 H GLY A 27 9.524 -7.597 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.912 -5.976 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.736 -7.195 1.457 1.00 0.00 H new ATOM 413 N ASP A 28 8.632 -6.782 0.604 1.00 0.00 N ATOM 414 CA ASP A 28 7.756 -6.442 -0.552 1.00 0.00 C ATOM 415 C ASP A 28 7.797 -4.929 -0.802 1.00 0.00 C ATOM 416 O ASP A 28 7.846 -4.482 -1.930 1.00 0.00 O ATOM 417 CB ASP A 28 6.324 -6.897 -0.255 1.00 0.00 C ATOM 418 CG ASP A 28 5.452 -6.664 -1.488 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.598 -5.622 -2.098 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.658 -7.536 -1.803 1.00 0.00 O ATOM 0 H ASP A 28 8.167 -7.249 1.382 1.00 0.00 H new ATOM 0 HA ASP A 28 8.111 -6.953 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.315 -7.953 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.925 -6.346 0.596 1.00 0.00 H new ATOM 425 N CYS A 29 7.795 -4.138 0.239 1.00 0.00 N ATOM 426 CA CYS A 29 7.853 -2.658 0.049 1.00 0.00 C ATOM 427 C CYS A 29 9.217 -2.288 -0.542 1.00 0.00 C ATOM 428 O CYS A 29 9.401 -1.216 -1.084 1.00 0.00 O ATOM 429 CB CYS A 29 7.682 -1.956 1.400 1.00 0.00 C ATOM 430 SG CYS A 29 6.244 -2.631 2.270 1.00 0.00 S ATOM 0 H CYS A 29 7.756 -4.451 1.209 1.00 0.00 H new ATOM 0 HA CYS A 29 7.055 -2.344 -0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.579 -2.089 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.556 -0.884 1.249 1.00 0.00 H new ATOM 435 N ASP A 30 10.176 -3.169 -0.431 1.00 0.00 N ATOM 436 CA ASP A 30 11.534 -2.876 -0.977 1.00 0.00 C ATOM 437 C ASP A 30 11.702 -3.521 -2.355 1.00 0.00 C ATOM 438 O ASP A 30 12.742 -3.410 -2.977 1.00 0.00 O ATOM 439 CB ASP A 30 12.592 -3.436 -0.025 1.00 0.00 C ATOM 440 CG ASP A 30 12.624 -2.594 1.252 1.00 0.00 C ATOM 441 OD1 ASP A 30 12.039 -1.525 1.246 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.232 -3.035 2.212 1.00 0.00 O ATOM 0 H ASP A 30 10.077 -4.081 0.015 1.00 0.00 H new ATOM 0 HA ASP A 30 11.653 -1.797 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.366 -4.475 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.571 -3.426 -0.505 1.00 0.00 H new ATOM 447 N ASN A 31 10.693 -4.187 -2.841 1.00 0.00 N ATOM 448 CA ASN A 31 10.799 -4.834 -4.178 1.00 0.00 C ATOM 449 C ASN A 31 10.133 -3.941 -5.221 1.00 0.00 C ATOM 450 O ASN A 31 8.944 -3.700 -5.174 1.00 0.00 O ATOM 451 CB ASN A 31 10.083 -6.182 -4.138 1.00 0.00 C ATOM 452 CG ASN A 31 10.455 -7.009 -5.366 1.00 0.00 C ATOM 453 OD1 ASN A 31 11.181 -6.555 -6.229 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.983 -8.219 -5.480 1.00 0.00 N ATOM 0 H ASN A 31 9.797 -4.312 -2.369 1.00 0.00 H new ATOM 0 HA ASN A 31 11.848 -4.981 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.356 -6.721 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.004 -6.029 -4.106 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.223 -8.785 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.374 -8.599 -4.755 1.00 0.00 H new ATOM 461 N ASP A 32 10.884 -3.441 -6.161 1.00 0.00 N ATOM 462 CA ASP A 32 10.283 -2.563 -7.200 1.00 0.00 C ATOM 463 C ASP A 32 9.174 -3.323 -7.920 1.00 0.00 C ATOM 464 O ASP A 32 8.178 -2.758 -8.328 1.00 0.00 O ATOM 465 CB ASP A 32 11.352 -2.148 -8.211 1.00 0.00 C ATOM 466 CG ASP A 32 12.400 -1.274 -7.519 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.144 -0.844 -6.407 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.442 -1.050 -8.113 1.00 0.00 O ATOM 0 H ASP A 32 11.887 -3.602 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 32 9.873 -1.672 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.826 -3.032 -8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.895 -1.601 -9.036 1.00 0.00 H new ATOM 473 N ASP A 33 9.342 -4.603 -8.084 1.00 0.00 N ATOM 474 CA ASP A 33 8.302 -5.404 -8.782 1.00 0.00 C ATOM 475 C ASP A 33 7.017 -5.428 -7.955 1.00 0.00 C ATOM 476 O ASP A 33 5.939 -5.629 -8.479 1.00 0.00 O ATOM 477 CB ASP A 33 8.804 -6.836 -8.979 1.00 0.00 C ATOM 478 CG ASP A 33 7.735 -7.646 -9.713 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.864 -7.036 -10.310 1.00 0.00 O ATOM 480 OD2 ASP A 33 7.804 -8.864 -9.664 1.00 0.00 O ATOM 0 H ASP A 33 10.155 -5.130 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 33 8.097 -4.950 -9.752 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.732 -6.834 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.025 -7.293 -8.014 1.00 0.00 H new ATOM 485 N LYS A 34 7.116 -5.240 -6.667 1.00 0.00 N ATOM 486 CA LYS A 34 5.890 -5.273 -5.824 1.00 0.00 C ATOM 487 C LYS A 34 5.584 -3.873 -5.298 1.00 0.00 C ATOM 488 O LYS A 34 4.611 -3.663 -4.600 1.00 0.00 O ATOM 489 CB LYS A 34 6.117 -6.207 -4.642 1.00 0.00 C ATOM 490 CG LYS A 34 6.710 -7.525 -5.140 1.00 0.00 C ATOM 491 CD LYS A 34 6.578 -8.580 -4.042 1.00 0.00 C ATOM 492 CE LYS A 34 7.198 -9.893 -4.517 1.00 0.00 C ATOM 493 NZ LYS A 34 7.671 -10.673 -3.338 1.00 0.00 N ATOM 0 H LYS A 34 7.987 -5.066 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 34 5.052 -5.627 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.790 -5.742 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.175 -6.392 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.192 -7.853 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.758 -7.389 -5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.075 -8.239 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.528 -8.731 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.465 -10.472 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.030 -9.692 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.093 -11.567 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.383 -10.121 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.867 -10.876 -2.711 1.00 0.00 H new ATOM 507 N LEU A 35 6.405 -2.915 -5.617 1.00 0.00 N ATOM 508 CA LEU A 35 6.150 -1.537 -5.124 1.00 0.00 C ATOM 509 C LEU A 35 4.732 -1.113 -5.508 1.00 0.00 C ATOM 510 O LEU A 35 3.994 -0.582 -4.701 1.00 0.00 O ATOM 511 CB LEU A 35 7.172 -0.582 -5.751 1.00 0.00 C ATOM 512 CG LEU A 35 8.418 -0.501 -4.865 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.453 0.415 -5.517 1.00 0.00 C ATOM 514 CD2 LEU A 35 8.034 0.073 -3.502 1.00 0.00 C ATOM 0 H LEU A 35 7.238 -3.026 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 35 6.247 -1.507 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.445 -0.930 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.733 0.409 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 35 8.838 -1.499 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.339 0.471 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.729 0.016 -6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.031 1.412 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.920 0.132 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.615 1.071 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.294 -0.573 -3.031 1.00 0.00 H new ATOM 526 N LEU A 36 4.339 -1.356 -6.727 1.00 0.00 N ATOM 527 CA LEU A 36 2.963 -0.981 -7.153 1.00 0.00 C ATOM 528 C LEU A 36 1.943 -1.831 -6.388 1.00 0.00 C ATOM 529 O LEU A 36 0.881 -1.366 -6.022 1.00 0.00 O ATOM 530 CB LEU A 36 2.813 -1.220 -8.658 1.00 0.00 C ATOM 531 CG LEU A 36 1.447 -0.715 -9.121 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.591 -0.002 -10.469 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.496 -1.904 -9.272 1.00 0.00 C ATOM 0 H LEU A 36 4.911 -1.798 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 36 2.787 0.073 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.606 -0.704 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.914 -2.282 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 36 1.048 -0.016 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.615 0.357 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.272 0.843 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.989 -0.698 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.480 -1.549 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.898 -2.600 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.392 -2.411 -8.313 1.00 0.00 H new ATOM 545 N GLU A 37 2.257 -3.077 -6.144 1.00 0.00 N ATOM 546 CA GLU A 37 1.307 -3.961 -5.409 1.00 0.00 C ATOM 547 C GLU A 37 1.075 -3.403 -4.007 1.00 0.00 C ATOM 548 O GLU A 37 -0.027 -3.396 -3.502 1.00 0.00 O ATOM 549 CB GLU A 37 1.910 -5.363 -5.298 1.00 0.00 C ATOM 550 CG GLU A 37 2.098 -5.949 -6.697 1.00 0.00 C ATOM 551 CD GLU A 37 2.616 -7.385 -6.588 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.912 -7.807 -5.483 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.706 -8.038 -7.614 1.00 0.00 O ATOM 0 H GLU A 37 3.132 -3.520 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 37 0.359 -4.006 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.867 -5.319 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.257 -6.006 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.152 -5.933 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.801 -5.340 -7.265 1.00 0.00 H new ATOM 560 N MET A 38 2.114 -2.933 -3.376 1.00 0.00 N ATOM 561 CA MET A 38 1.966 -2.373 -2.007 1.00 0.00 C ATOM 562 C MET A 38 1.203 -1.053 -2.066 1.00 0.00 C ATOM 563 O MET A 38 0.292 -0.817 -1.297 1.00 0.00 O ATOM 564 CB MET A 38 3.355 -2.135 -1.430 1.00 0.00 C ATOM 565 CG MET A 38 4.010 -3.481 -1.114 1.00 0.00 C ATOM 566 SD MET A 38 3.060 -4.335 0.170 1.00 0.00 S ATOM 567 CE MET A 38 2.247 -5.545 -0.905 1.00 0.00 C ATOM 0 H MET A 38 3.062 -2.913 -3.752 1.00 0.00 H new ATOM 0 HA MET A 38 1.412 -3.071 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.966 -1.579 -2.141 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.287 -1.530 -0.526 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.056 -4.094 -2.014 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.036 -3.328 -0.780 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.171 -5.520 -0.733 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.454 -5.302 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.626 -6.542 -0.682 1.00 0.00 H new ATOM 577 N GLY A 39 1.556 -0.196 -2.978 1.00 0.00 N ATOM 578 CA GLY A 39 0.834 1.100 -3.088 1.00 0.00 C ATOM 579 C GLY A 39 -0.649 0.811 -3.302 1.00 0.00 C ATOM 580 O GLY A 39 -1.509 1.603 -2.969 1.00 0.00 O ATOM 0 H GLY A 39 2.310 -0.335 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.978 1.692 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.230 1.685 -3.918 1.00 0.00 H new ATOM 584 N TYR A 40 -0.948 -0.319 -3.873 1.00 0.00 N ATOM 585 CA TYR A 40 -2.365 -0.682 -4.138 1.00 0.00 C ATOM 586 C TYR A 40 -2.931 -1.536 -2.999 1.00 0.00 C ATOM 587 O TYR A 40 -3.953 -1.221 -2.422 1.00 0.00 O ATOM 588 CB TYR A 40 -2.419 -1.481 -5.439 1.00 0.00 C ATOM 589 CG TYR A 40 -3.814 -2.006 -5.656 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.746 -1.244 -6.363 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.172 -3.260 -5.152 1.00 0.00 C ATOM 592 CE1 TYR A 40 -6.040 -1.736 -6.569 1.00 0.00 C ATOM 593 CE2 TYR A 40 -5.465 -3.754 -5.357 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.400 -2.992 -6.065 1.00 0.00 C ATOM 595 OH TYR A 40 -7.675 -3.478 -6.267 1.00 0.00 O ATOM 0 H TYR A 40 -0.264 -1.014 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.961 0.227 -4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.123 -0.850 -6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.711 -2.309 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.469 -0.275 -6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.450 -3.848 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.761 -1.147 -7.117 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.741 -4.723 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.757 -4.363 -5.853 1.00 0.00 H new ATOM 605 N TYR A 41 -2.289 -2.628 -2.690 1.00 0.00 N ATOM 606 CA TYR A 41 -2.799 -3.519 -1.612 1.00 0.00 C ATOM 607 C TYR A 41 -2.458 -2.952 -0.232 1.00 0.00 C ATOM 608 O TYR A 41 -3.304 -2.879 0.638 1.00 0.00 O ATOM 609 CB TYR A 41 -2.162 -4.901 -1.761 1.00 0.00 C ATOM 610 CG TYR A 41 -2.714 -5.592 -2.986 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.012 -6.111 -2.967 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.927 -5.723 -4.138 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.524 -6.761 -4.097 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.440 -6.370 -5.267 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.740 -6.890 -5.247 1.00 0.00 C ATOM 616 OH TYR A 41 -4.244 -7.535 -6.357 1.00 0.00 O ATOM 0 H TYR A 41 -1.429 -2.943 -3.140 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.883 -3.591 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.079 -4.805 -1.844 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.362 -5.501 -0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.620 -6.011 -2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.924 -5.324 -4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.526 -7.163 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.833 -6.469 -6.155 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.570 -7.536 -7.069 1.00 0.00 H new ATOM 626 N CYS A 42 -1.231 -2.569 -0.013 1.00 0.00 N ATOM 627 CA CYS A 42 -0.865 -2.036 1.328 1.00 0.00 C ATOM 628 C CYS A 42 -0.071 -0.739 1.195 1.00 0.00 C ATOM 629 O CYS A 42 1.120 -0.705 1.447 1.00 0.00 O ATOM 630 CB CYS A 42 -0.022 -3.071 2.064 1.00 0.00 C ATOM 631 SG CYS A 42 -0.642 -4.724 1.687 1.00 0.00 S ATOM 0 H CYS A 42 -0.474 -2.601 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.778 -1.829 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.023 -2.985 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.062 -2.892 3.138 1.00 0.00 H new ATOM 636 N PRO A 43 -0.730 0.325 0.824 1.00 0.00 N ATOM 637 CA PRO A 43 -0.076 1.657 0.674 1.00 0.00 C ATOM 638 C PRO A 43 0.376 2.206 2.026 1.00 0.00 C ATOM 639 O PRO A 43 1.382 2.879 2.138 1.00 0.00 O ATOM 640 CB PRO A 43 -1.176 2.541 0.078 1.00 0.00 C ATOM 641 CG PRO A 43 -2.460 1.877 0.448 1.00 0.00 C ATOM 642 CD PRO A 43 -2.166 0.380 0.512 1.00 0.00 C ATOM 0 HA PRO A 43 0.819 1.612 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.127 3.553 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.073 2.621 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.824 2.243 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.234 2.090 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.763 -0.114 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.391 -0.114 -0.433 1.00 0.00 H new ATOM 650 N VAL A 44 -0.375 1.923 3.051 1.00 0.00 N ATOM 651 CA VAL A 44 -0.010 2.415 4.404 1.00 0.00 C ATOM 652 C VAL A 44 1.090 1.526 4.994 1.00 0.00 C ATOM 653 O VAL A 44 2.049 2.003 5.564 1.00 0.00 O ATOM 654 CB VAL A 44 -1.249 2.369 5.297 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.885 2.837 6.703 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.325 3.287 4.714 1.00 0.00 C ATOM 0 H VAL A 44 -1.230 1.369 3.008 1.00 0.00 H new ATOM 0 HA VAL A 44 0.358 3.439 4.340 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.626 1.348 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.770 2.803 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.117 2.184 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.508 3.859 6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.211 3.257 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.946 4.308 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.586 2.951 3.710 1.00 0.00 H new ATOM 666 N THR A 45 0.948 0.237 4.859 1.00 0.00 N ATOM 667 CA THR A 45 1.966 -0.701 5.415 1.00 0.00 C ATOM 668 C THR A 45 3.353 -0.392 4.849 1.00 0.00 C ATOM 669 O THR A 45 4.346 -0.473 5.546 1.00 0.00 O ATOM 670 CB THR A 45 1.591 -2.129 5.026 1.00 0.00 C ATOM 671 OG1 THR A 45 0.270 -2.408 5.463 1.00 0.00 O ATOM 672 CG2 THR A 45 2.564 -3.113 5.672 1.00 0.00 C ATOM 0 H THR A 45 0.165 -0.211 4.384 1.00 0.00 H new ATOM 0 HA THR A 45 1.989 -0.587 6.499 1.00 0.00 H new ATOM 0 HB THR A 45 1.644 -2.233 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.030 -1.796 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.292 -4.131 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.577 -2.901 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.518 -3.011 6.756 1.00 0.00 H new ATOM 680 N CYS A 46 3.439 -0.065 3.592 1.00 0.00 N ATOM 681 CA CYS A 46 4.773 0.214 2.994 1.00 0.00 C ATOM 682 C CYS A 46 5.164 1.677 3.215 1.00 0.00 C ATOM 683 O CYS A 46 6.309 2.053 3.056 1.00 0.00 O ATOM 684 CB CYS A 46 4.729 -0.107 1.504 1.00 0.00 C ATOM 685 SG CYS A 46 4.640 -1.901 1.285 1.00 0.00 S ATOM 0 H CYS A 46 2.647 0.021 2.954 1.00 0.00 H new ATOM 0 HA CYS A 46 5.524 -0.411 3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.865 0.371 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.615 0.289 1.008 1.00 0.00 H new ATOM 690 N GLY A 47 4.238 2.502 3.617 1.00 0.00 N ATOM 691 CA GLY A 47 4.583 3.927 3.886 1.00 0.00 C ATOM 692 C GLY A 47 4.476 4.787 2.620 1.00 0.00 C ATOM 693 O GLY A 47 5.221 5.732 2.451 1.00 0.00 O ATOM 0 H GLY A 47 3.261 2.253 3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.917 4.324 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.597 3.987 4.282 1.00 0.00 H new ATOM 697 N PHE A 48 3.544 4.507 1.750 1.00 0.00 N ATOM 698 CA PHE A 48 3.398 5.364 0.535 1.00 0.00 C ATOM 699 C PHE A 48 2.211 6.283 0.767 1.00 0.00 C ATOM 700 O PHE A 48 2.013 7.262 0.074 1.00 0.00 O ATOM 701 CB PHE A 48 3.119 4.506 -0.699 1.00 0.00 C ATOM 702 CG PHE A 48 4.228 3.513 -0.889 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.550 3.950 -1.021 1.00 0.00 C ATOM 704 CD2 PHE A 48 3.929 2.151 -0.939 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.577 3.017 -1.201 1.00 0.00 C ATOM 706 CE2 PHE A 48 4.954 1.219 -1.120 1.00 0.00 C ATOM 707 CZ PHE A 48 6.278 1.652 -1.251 1.00 0.00 C ATOM 0 H PHE A 48 2.884 3.733 1.824 1.00 0.00 H new ATOM 0 HA PHE A 48 4.317 5.926 0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.168 3.986 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.031 5.140 -1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.778 5.005 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.907 1.818 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.599 3.351 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.724 0.164 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.070 0.931 -1.391 1.00 0.00 H new ATOM 717 N CYS A 49 1.422 5.962 1.748 1.00 0.00 N ATOM 718 CA CYS A 49 0.234 6.797 2.058 1.00 0.00 C ATOM 719 C CYS A 49 -0.009 6.789 3.565 1.00 0.00 C ATOM 720 O CYS A 49 0.684 6.126 4.312 1.00 0.00 O ATOM 721 CB CYS A 49 -0.988 6.240 1.330 1.00 0.00 C ATOM 722 SG CYS A 49 -2.209 7.559 1.122 1.00 0.00 S ATOM 0 H CYS A 49 1.550 5.151 2.353 1.00 0.00 H new ATOM 0 HA CYS A 49 0.409 7.821 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.697 5.841 0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.419 5.415 1.897 1.00 0.00 H new ATOM 727 N GLU A 50 -0.983 7.522 4.022 1.00 0.00 N ATOM 728 CA GLU A 50 -1.267 7.557 5.481 1.00 0.00 C ATOM 729 C GLU A 50 -2.580 6.821 5.751 1.00 0.00 C ATOM 730 O GLU A 50 -3.464 6.799 4.918 1.00 0.00 O ATOM 731 CB GLU A 50 -1.389 9.012 5.938 1.00 0.00 C ATOM 732 CG GLU A 50 -0.252 9.837 5.328 1.00 0.00 C ATOM 733 CD GLU A 50 0.420 10.669 6.423 1.00 0.00 C ATOM 734 OE1 GLU A 50 0.958 10.076 7.343 1.00 0.00 O ATOM 735 OE2 GLU A 50 0.384 11.884 6.321 1.00 0.00 O ATOM 0 H GLU A 50 -1.596 8.100 3.447 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.458 7.074 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.353 9.420 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.349 9.067 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.478 9.178 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.641 10.490 4.547 1.00 0.00 H new ATOM 742 N PRO A 51 -2.713 6.219 6.901 1.00 0.00 N ATOM 743 CA PRO A 51 -3.947 5.474 7.261 1.00 0.00 C ATOM 744 C PRO A 51 -5.213 6.250 6.892 1.00 0.00 C ATOM 745 O PRO A 51 -6.274 5.647 6.885 1.00 0.00 O ATOM 746 CB PRO A 51 -3.845 5.306 8.777 1.00 0.00 C ATOM 747 CG PRO A 51 -2.387 5.372 9.096 1.00 0.00 C ATOM 748 CD PRO A 51 -1.711 6.177 7.979 1.00 0.00 C ATOM 749 OXT PRO A 51 -5.099 7.434 6.621 1.00 0.00 O ATOM 0 HA PRO A 51 -4.021 4.527 6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.395 6.092 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.272 4.355 9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.227 5.848 10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.962 4.370 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.447 7.180 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.789 5.699 7.647 1.00 0.00 H new TER 757 PRO A 51