USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=9 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 16 LYS NZ :NH3+ 155:sc= 0.0893 (180deg=0) USER MOD Set 1.2: A 17 ASN : amide:sc= -0.291 X(o=-0.2,f=-0.6) USER MOD Single : A 1 ASN : amide:sc= -2.92! C(o=-2.9!,f=-5.6!) USER MOD Single : A 1 ASN N :NH3+ -139:sc= 0.0446 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 168:sc= -1.43 (180deg=-2.26) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -171:sc= 1.27 USER MOD Single : A 26 ASN : amide:sc= -5.28! C(o=-5.3!,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -126:sc= -0.774 (180deg=-6.6!) 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 -23:sc= -2.98! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -0.877 21.282 -1.705 1.00 0.00 N ATOM 2 CA ASN A 1 -0.201 20.066 -2.240 1.00 0.00 C ATOM 3 C ASN A 1 -0.697 19.794 -3.662 1.00 0.00 C ATOM 4 O ASN A 1 -0.998 20.703 -4.410 1.00 0.00 O ATOM 5 CB ASN A 1 -0.527 18.869 -1.344 1.00 0.00 C ATOM 6 CG ASN A 1 0.442 17.723 -1.645 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.354 17.874 -2.436 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.283 16.575 -1.045 1.00 0.00 N ATOM 0 H1 ASN A 1 -0.189 21.859 -1.180 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.266 21.838 -2.493 1.00 0.00 H new ATOM 0 H3 ASN A 1 -1.648 20.998 -1.068 1.00 0.00 H new ATOM 0 HA ASN A 1 0.878 20.223 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -0.452 19.156 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -1.554 18.544 -1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.923 15.805 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -0.481 16.448 -0.382 1.00 0.00 H new ATOM 14 N ASP A 2 -0.785 18.549 -4.046 1.00 0.00 N ATOM 15 CA ASP A 2 -1.263 18.223 -5.421 1.00 0.00 C ATOM 16 C ASP A 2 -2.737 18.611 -5.551 1.00 0.00 C ATOM 17 O ASP A 2 -3.509 18.468 -4.624 1.00 0.00 O ATOM 18 CB ASP A 2 -1.109 16.721 -5.674 1.00 0.00 C ATOM 19 CG ASP A 2 0.375 16.346 -5.655 1.00 0.00 C ATOM 20 OD1 ASP A 2 1.196 17.240 -5.781 1.00 0.00 O ATOM 21 OD2 ASP A 2 0.666 15.169 -5.514 1.00 0.00 O ATOM 0 H ASP A 2 -0.547 17.744 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.673 18.777 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.647 16.157 -4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.549 16.457 -6.636 1.00 0.00 H new ATOM 26 N ILE A 3 -3.138 19.097 -6.697 1.00 0.00 N ATOM 27 CA ILE A 3 -4.565 19.486 -6.879 1.00 0.00 C ATOM 28 C ILE A 3 -5.422 18.223 -6.968 1.00 0.00 C ATOM 29 O ILE A 3 -6.628 18.287 -7.093 1.00 0.00 O ATOM 30 CB ILE A 3 -4.719 20.303 -8.164 1.00 0.00 C ATOM 31 CG1 ILE A 3 -3.881 21.577 -8.056 1.00 0.00 C ATOM 32 CG2 ILE A 3 -6.190 20.684 -8.357 1.00 0.00 C ATOM 33 CD1 ILE A 3 -3.856 22.287 -9.409 1.00 0.00 C ATOM 0 H ILE A 3 -2.540 19.240 -7.511 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.889 20.090 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.382 19.709 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.299 22.236 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.866 21.332 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.298 21.266 -9.272 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.794 19.779 -8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.526 21.278 -7.508 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.259 23.195 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.418 21.627 -10.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.873 22.546 -9.703 1.00 0.00 H new ATOM 45 N ARG A 4 -4.809 17.073 -6.895 1.00 0.00 N ATOM 46 CA ARG A 4 -5.589 15.806 -6.968 1.00 0.00 C ATOM 47 C ARG A 4 -6.216 15.529 -5.605 1.00 0.00 C ATOM 48 O ARG A 4 -6.828 14.503 -5.387 1.00 0.00 O ATOM 49 CB ARG A 4 -4.662 14.648 -7.336 1.00 0.00 C ATOM 50 CG ARG A 4 -4.059 14.893 -8.717 1.00 0.00 C ATOM 51 CD ARG A 4 -3.185 13.699 -9.100 1.00 0.00 C ATOM 52 NE ARG A 4 -2.389 14.041 -10.309 1.00 0.00 N ATOM 53 CZ ARG A 4 -1.327 14.788 -10.194 1.00 0.00 C ATOM 54 NH1 ARG A 4 -0.971 15.236 -9.021 1.00 0.00 N ATOM 55 NH2 ARG A 4 -0.623 15.088 -11.250 1.00 0.00 N ATOM 0 H ARG A 4 -3.801 16.957 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.366 15.902 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.869 14.553 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.216 13.710 -7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.850 15.031 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.465 15.807 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.522 13.440 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.807 12.826 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.673 13.692 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.523 15.001 -8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.140 15.821 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.903 14.738 -12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.208 15.673 -11.160 1.00 0.00 H new ATOM 69 N THR A 5 -6.057 16.434 -4.682 1.00 0.00 N ATOM 70 CA THR A 5 -6.632 16.227 -3.327 1.00 0.00 C ATOM 71 C THR A 5 -8.158 16.348 -3.391 1.00 0.00 C ATOM 72 O THR A 5 -8.839 16.268 -2.387 1.00 0.00 O ATOM 73 CB THR A 5 -6.074 17.292 -2.383 1.00 0.00 C ATOM 74 OG1 THR A 5 -6.058 16.791 -1.054 1.00 0.00 O ATOM 75 CG2 THR A 5 -6.946 18.545 -2.452 1.00 0.00 C ATOM 0 H THR A 5 -5.552 17.311 -4.809 1.00 0.00 H new ATOM 0 HA THR A 5 -6.367 15.234 -2.963 1.00 0.00 H new ATOM 0 HB THR A 5 -5.057 17.544 -2.683 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.699 17.475 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.547 19.303 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.949 18.930 -3.472 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.965 18.296 -2.155 1.00 0.00 H new ATOM 83 N ALA A 6 -8.699 16.544 -4.565 1.00 0.00 N ATOM 84 CA ALA A 6 -10.179 16.670 -4.692 1.00 0.00 C ATOM 85 C ALA A 6 -10.833 15.292 -4.558 1.00 0.00 C ATOM 86 O ALA A 6 -12.012 15.176 -4.288 1.00 0.00 O ATOM 87 CB ALA A 6 -10.523 17.259 -6.061 1.00 0.00 C ATOM 0 H ALA A 6 -8.180 16.622 -5.440 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.551 17.324 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.605 17.352 -6.156 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.064 18.243 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.145 16.603 -6.845 1.00 0.00 H new ATOM 93 N ALA A 7 -10.079 14.243 -4.750 1.00 0.00 N ATOM 94 CA ALA A 7 -10.662 12.876 -4.638 1.00 0.00 C ATOM 95 C ALA A 7 -10.900 12.533 -3.166 1.00 0.00 C ATOM 96 O ALA A 7 -10.273 13.084 -2.283 1.00 0.00 O ATOM 97 CB ALA A 7 -9.699 11.857 -5.250 1.00 0.00 C ATOM 0 H ALA A 7 -9.086 14.274 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.612 12.846 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.126 10.858 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.536 12.096 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.748 11.890 -4.718 1.00 0.00 H new ATOM 103 N ASP A 8 -11.796 11.624 -2.894 1.00 0.00 N ATOM 104 CA ASP A 8 -12.059 11.246 -1.477 1.00 0.00 C ATOM 105 C ASP A 8 -11.143 10.083 -1.099 1.00 0.00 C ATOM 106 O ASP A 8 -11.305 9.457 -0.070 1.00 0.00 O ATOM 107 CB ASP A 8 -13.520 10.815 -1.316 1.00 0.00 C ATOM 108 CG ASP A 8 -14.437 12.008 -1.583 1.00 0.00 C ATOM 109 OD1 ASP A 8 -13.928 13.114 -1.659 1.00 0.00 O ATOM 110 OD2 ASP A 8 -15.633 11.797 -1.708 1.00 0.00 O ATOM 0 H ASP A 8 -12.355 11.129 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.866 12.101 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.749 10.005 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.688 10.432 -0.310 1.00 0.00 H new ATOM 115 N MET A 9 -10.186 9.781 -1.933 1.00 0.00 N ATOM 116 CA MET A 9 -9.265 8.652 -1.633 1.00 0.00 C ATOM 117 C MET A 9 -8.110 9.134 -0.758 1.00 0.00 C ATOM 118 O MET A 9 -7.071 8.509 -0.689 1.00 0.00 O ATOM 119 CB MET A 9 -8.705 8.080 -2.938 1.00 0.00 C ATOM 120 CG MET A 9 -9.765 7.211 -3.617 1.00 0.00 C ATOM 121 SD MET A 9 -9.345 5.463 -3.391 1.00 0.00 S ATOM 122 CE MET A 9 -9.465 5.432 -1.585 1.00 0.00 C ATOM 0 H MET A 9 -10.003 10.269 -2.810 1.00 0.00 H new ATOM 0 HA MET A 9 -9.820 7.879 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.405 8.890 -3.602 1.00 0.00 H new ATOM 0 HB3 MET A 9 -7.812 7.489 -2.734 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.747 7.418 -3.193 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.820 7.449 -4.679 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.453 4.399 -1.237 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.620 5.970 -1.155 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.395 5.908 -1.274 1.00 0.00 H new ATOM 132 N GLU A 10 -8.277 10.233 -0.082 1.00 0.00 N ATOM 133 CA GLU A 10 -7.183 10.737 0.787 1.00 0.00 C ATOM 134 C GLU A 10 -6.972 9.752 1.936 1.00 0.00 C ATOM 135 O GLU A 10 -5.984 9.801 2.642 1.00 0.00 O ATOM 136 CB GLU A 10 -7.565 12.109 1.341 1.00 0.00 C ATOM 137 CG GLU A 10 -6.386 12.695 2.118 1.00 0.00 C ATOM 138 CD GLU A 10 -6.809 14.018 2.750 1.00 0.00 C ATOM 139 OE1 GLU A 10 -7.936 14.424 2.525 1.00 0.00 O ATOM 140 OE2 GLU A 10 -5.997 14.604 3.447 1.00 0.00 O ATOM 0 H GLU A 10 -9.123 10.803 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.262 10.831 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.844 12.777 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.435 12.020 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.061 11.997 2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.538 12.851 1.452 1.00 0.00 H new ATOM 147 N HIS A 11 -7.891 8.845 2.120 1.00 0.00 N ATOM 148 CA HIS A 11 -7.739 7.850 3.213 1.00 0.00 C ATOM 149 C HIS A 11 -7.182 6.560 2.624 1.00 0.00 C ATOM 150 O HIS A 11 -7.790 5.939 1.775 1.00 0.00 O ATOM 151 CB HIS A 11 -9.100 7.577 3.851 1.00 0.00 C ATOM 152 CG HIS A 11 -9.616 8.842 4.476 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.489 9.695 3.816 1.00 0.00 N ATOM 154 CD2 HIS A 11 -9.386 9.414 5.701 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.749 10.727 4.641 1.00 0.00 C ATOM 156 NE2 HIS A 11 -10.102 10.601 5.801 1.00 0.00 N ATOM 0 H HIS A 11 -8.739 8.751 1.561 1.00 0.00 H new ATOM 0 HA HIS A 11 -7.061 8.235 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.802 7.216 3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.011 6.795 4.605 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.747 9.005 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -11.400 11.553 4.395 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.127 11.241 6.595 1.00 0.00 H new ATOM 165 N CYS A 12 -6.027 6.155 3.069 1.00 0.00 N ATOM 166 CA CYS A 12 -5.421 4.906 2.538 1.00 0.00 C ATOM 167 C CYS A 12 -5.407 3.852 3.641 1.00 0.00 C ATOM 168 O CYS A 12 -5.099 4.140 4.781 1.00 0.00 O ATOM 169 CB CYS A 12 -3.990 5.195 2.093 1.00 0.00 C ATOM 170 SG CYS A 12 -4.004 6.488 0.826 1.00 0.00 S ATOM 0 H CYS A 12 -5.476 6.637 3.779 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.001 4.542 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.389 5.512 2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.530 4.289 1.699 1.00 0.00 H new ATOM 175 N ALA A 13 -5.743 2.636 3.319 1.00 0.00 N ATOM 176 CA ALA A 13 -5.753 1.575 4.361 1.00 0.00 C ATOM 177 C ALA A 13 -5.114 0.297 3.817 1.00 0.00 C ATOM 178 O ALA A 13 -5.182 0.006 2.638 1.00 0.00 O ATOM 179 CB ALA A 13 -7.197 1.290 4.769 1.00 0.00 C ATOM 0 H ALA A 13 -6.010 2.332 2.383 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.182 1.914 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.213 0.513 5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.649 2.199 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.762 0.955 3.899 1.00 0.00 H new ATOM 185 N ASP A 14 -4.502 -0.477 4.673 1.00 0.00 N ATOM 186 CA ASP A 14 -3.874 -1.744 4.214 1.00 0.00 C ATOM 187 C ASP A 14 -4.975 -2.719 3.803 1.00 0.00 C ATOM 188 O ASP A 14 -6.005 -2.809 4.445 1.00 0.00 O ATOM 189 CB ASP A 14 -3.047 -2.346 5.353 1.00 0.00 C ATOM 190 CG ASP A 14 -1.835 -1.459 5.620 1.00 0.00 C ATOM 191 OD1 ASP A 14 -1.407 -0.783 4.700 1.00 0.00 O ATOM 192 OD2 ASP A 14 -1.345 -1.475 6.739 1.00 0.00 O ATOM 0 H ASP A 14 -4.411 -0.284 5.670 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.220 -1.549 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.655 -2.431 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.724 -3.353 5.090 1.00 0.00 H new ATOM 197 N GLU A 15 -4.780 -3.442 2.736 1.00 0.00 N ATOM 198 CA GLU A 15 -5.833 -4.397 2.292 1.00 0.00 C ATOM 199 C GLU A 15 -6.125 -5.392 3.411 1.00 0.00 C ATOM 200 O GLU A 15 -5.231 -5.866 4.083 1.00 0.00 O ATOM 201 CB GLU A 15 -5.353 -5.166 1.058 1.00 0.00 C ATOM 202 CG GLU A 15 -6.293 -4.906 -0.125 1.00 0.00 C ATOM 203 CD GLU A 15 -6.708 -6.237 -0.760 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.733 -7.229 -0.051 1.00 0.00 O ATOM 205 OE2 GLU A 15 -6.996 -6.242 -1.945 1.00 0.00 O ATOM 0 H GLU A 15 -3.942 -3.414 2.155 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.736 -3.838 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.339 -4.859 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.318 -6.233 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.176 -4.363 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.796 -4.279 -0.865 1.00 0.00 H new ATOM 212 N LYS A 16 -7.370 -5.719 3.613 1.00 0.00 N ATOM 213 CA LYS A 16 -7.711 -6.689 4.686 1.00 0.00 C ATOM 214 C LYS A 16 -7.532 -8.114 4.163 1.00 0.00 C ATOM 215 O LYS A 16 -7.299 -9.038 4.918 1.00 0.00 O ATOM 216 CB LYS A 16 -9.161 -6.480 5.114 1.00 0.00 C ATOM 217 CG LYS A 16 -10.097 -6.866 3.971 1.00 0.00 C ATOM 218 CD LYS A 16 -11.530 -6.522 4.366 1.00 0.00 C ATOM 219 CE LYS A 16 -12.500 -7.200 3.401 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.736 -8.605 3.840 1.00 0.00 N ATOM 0 H LYS A 16 -8.163 -5.357 3.083 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.053 -6.533 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.380 -7.083 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.321 -5.438 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.819 -6.334 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.011 -7.931 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.726 -6.851 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.675 -5.442 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.443 -6.653 3.372 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.093 -7.187 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.659 -8.929 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.986 -9.218 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.728 -8.650 4.879 1.00 0.00 H new ATOM 234 N ASN A 17 -7.639 -8.303 2.878 1.00 0.00 N ATOM 235 CA ASN A 17 -7.474 -9.671 2.312 1.00 0.00 C ATOM 236 C ASN A 17 -6.015 -9.891 1.903 1.00 0.00 C ATOM 237 O ASN A 17 -5.635 -10.965 1.483 1.00 0.00 O ATOM 238 CB ASN A 17 -8.379 -9.819 1.088 1.00 0.00 C ATOM 239 CG ASN A 17 -9.836 -9.632 1.514 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.298 -10.275 2.437 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.582 -8.767 0.887 1.00 0.00 N ATOM 0 H ASN A 17 -7.833 -7.570 2.195 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.748 -10.412 3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.111 -9.081 0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.243 -10.802 0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.552 -8.630 1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.196 -8.227 0.113 1.00 0.00 H new ATOM 248 N PHE A 18 -5.195 -8.884 2.022 1.00 0.00 N ATOM 249 CA PHE A 18 -3.766 -9.046 1.638 1.00 0.00 C ATOM 250 C PHE A 18 -2.905 -9.053 2.900 1.00 0.00 C ATOM 251 O PHE A 18 -3.055 -8.218 3.769 1.00 0.00 O ATOM 252 CB PHE A 18 -3.337 -7.883 0.744 1.00 0.00 C ATOM 253 CG PHE A 18 -2.007 -8.204 0.107 1.00 0.00 C ATOM 254 CD1 PHE A 18 -1.962 -8.907 -1.104 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.820 -7.795 0.724 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.728 -9.202 -1.697 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.413 -8.086 0.130 1.00 0.00 C ATOM 258 CZ PHE A 18 0.462 -8.791 -1.079 1.00 0.00 C ATOM 0 H PHE A 18 -5.452 -7.959 2.367 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.641 -9.984 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.088 -7.706 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.260 -6.968 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.879 -9.221 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.855 -7.255 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.693 -9.746 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.329 -7.766 0.605 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.415 -9.018 -1.535 1.00 0.00 H new ATOM 268 N ASP A 19 -2.001 -9.985 3.008 1.00 0.00 N ATOM 269 CA ASP A 19 -1.133 -10.035 4.214 1.00 0.00 C ATOM 270 C ASP A 19 -0.006 -9.009 4.062 1.00 0.00 C ATOM 271 O ASP A 19 1.084 -9.326 3.632 1.00 0.00 O ATOM 272 CB ASP A 19 -0.536 -11.437 4.351 1.00 0.00 C ATOM 273 CG ASP A 19 -1.657 -12.460 4.537 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.740 -12.061 4.934 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.413 -13.628 4.282 1.00 0.00 O ATOM 0 H ASP A 19 -1.826 -10.712 2.315 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.720 -9.804 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.049 -11.682 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.145 -11.471 5.201 1.00 0.00 H new ATOM 280 N CYS A 20 -0.264 -7.779 4.417 1.00 0.00 N ATOM 281 CA CYS A 20 0.785 -6.727 4.299 1.00 0.00 C ATOM 282 C CYS A 20 1.903 -7.026 5.297 1.00 0.00 C ATOM 283 O CYS A 20 3.067 -6.784 5.041 1.00 0.00 O ATOM 284 CB CYS A 20 0.159 -5.369 4.618 1.00 0.00 C ATOM 285 SG CYS A 20 -1.379 -5.196 3.681 1.00 0.00 S ATOM 0 H CYS A 20 -1.159 -7.457 4.785 1.00 0.00 H new ATOM 0 HA CYS A 20 1.195 -6.713 3.289 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.040 -5.288 5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.850 -4.566 4.360 1.00 0.00 H new ATOM 290 N ARG A 21 1.550 -7.559 6.433 1.00 0.00 N ATOM 291 CA ARG A 21 2.573 -7.892 7.463 1.00 0.00 C ATOM 292 C ARG A 21 3.551 -8.911 6.880 1.00 0.00 C ATOM 293 O ARG A 21 4.752 -8.789 7.015 1.00 0.00 O ATOM 294 CB ARG A 21 1.856 -8.505 8.671 1.00 0.00 C ATOM 295 CG ARG A 21 2.757 -8.468 9.913 1.00 0.00 C ATOM 296 CD ARG A 21 3.853 -9.533 9.811 1.00 0.00 C ATOM 297 NE ARG A 21 4.444 -9.765 11.160 1.00 0.00 N ATOM 298 CZ ARG A 21 3.762 -10.402 12.078 1.00 0.00 C ATOM 299 NH1 ARG A 21 2.568 -10.858 11.813 1.00 0.00 N ATOM 300 NH2 ARG A 21 4.282 -10.589 13.261 1.00 0.00 N ATOM 0 H ARG A 21 0.589 -7.780 6.694 1.00 0.00 H new ATOM 0 HA ARG A 21 3.119 -6.998 7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.934 -7.959 8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.575 -9.535 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.209 -7.481 10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.159 -8.637 10.809 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.438 -10.462 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.626 -9.210 9.114 1.00 0.00 H new ATOM 0 HE ARG A 21 5.383 -9.426 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.163 -10.719 10.887 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.040 -11.354 12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.217 -10.239 13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.753 -11.085 13.978 1.00 0.00 H new ATOM 314 N ARG A 22 3.041 -9.915 6.223 1.00 0.00 N ATOM 315 CA ARG A 22 3.933 -10.942 5.626 1.00 0.00 C ATOM 316 C ARG A 22 4.697 -10.335 4.457 1.00 0.00 C ATOM 317 O ARG A 22 5.897 -10.481 4.334 1.00 0.00 O ATOM 318 CB ARG A 22 3.090 -12.109 5.122 1.00 0.00 C ATOM 319 CG ARG A 22 3.812 -12.777 3.958 1.00 0.00 C ATOM 320 CD ARG A 22 3.192 -14.148 3.686 1.00 0.00 C ATOM 321 NE ARG A 22 1.803 -13.975 3.169 1.00 0.00 N ATOM 322 CZ ARG A 22 1.292 -14.866 2.363 1.00 0.00 C ATOM 323 NH1 ARG A 22 2.000 -15.900 1.996 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.073 -14.722 1.920 1.00 0.00 N ATOM 0 H ARG A 22 2.043 -10.067 6.075 1.00 0.00 H new ATOM 0 HA ARG A 22 4.638 -11.294 6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.924 -12.828 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.109 -11.755 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.742 -12.152 3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.872 -12.886 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.795 -14.694 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.179 -14.741 4.601 1.00 0.00 H new ATOM 0 HE ARG A 22 1.253 -13.161 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.954 -16.013 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.599 -16.595 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.480 -13.913 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.326 -15.418 1.290 1.00 0.00 H new ATOM 338 N SER A 23 4.005 -9.654 3.596 1.00 0.00 N ATOM 339 CA SER A 23 4.679 -9.027 2.433 1.00 0.00 C ATOM 340 C SER A 23 5.671 -7.973 2.934 1.00 0.00 C ATOM 341 O SER A 23 6.738 -7.795 2.378 1.00 0.00 O ATOM 342 CB SER A 23 3.619 -8.378 1.543 1.00 0.00 C ATOM 343 OG SER A 23 2.872 -9.399 0.892 1.00 0.00 O ATOM 0 H SER A 23 2.997 -9.504 3.647 1.00 0.00 H new ATOM 0 HA SER A 23 5.223 -9.777 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.958 -7.751 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.092 -7.730 0.806 1.00 0.00 H new ATOM 0 HG SER A 23 2.287 -8.996 0.216 1.00 0.00 H new ATOM 349 N LEU A 24 5.327 -7.270 3.981 1.00 0.00 N ATOM 350 CA LEU A 24 6.245 -6.223 4.519 1.00 0.00 C ATOM 351 C LEU A 24 7.544 -6.854 5.025 1.00 0.00 C ATOM 352 O LEU A 24 8.626 -6.422 4.679 1.00 0.00 O ATOM 353 CB LEU A 24 5.564 -5.492 5.680 1.00 0.00 C ATOM 354 CG LEU A 24 6.534 -4.456 6.264 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.734 -3.319 5.263 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.963 -3.891 7.569 1.00 0.00 C ATOM 0 H LEU A 24 4.448 -7.376 4.488 1.00 0.00 H new ATOM 0 HA LEU A 24 6.477 -5.522 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.655 -5.001 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.267 -6.204 6.450 1.00 0.00 H new ATOM 0 HG LEU A 24 7.492 -4.936 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.423 -2.584 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.146 -3.718 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.776 -2.842 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.655 -3.156 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.003 -3.415 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.825 -4.700 8.286 1.00 0.00 H new ATOM 368 N ARG A 25 7.453 -7.863 5.847 1.00 0.00 N ATOM 369 CA ARG A 25 8.693 -8.502 6.371 1.00 0.00 C ATOM 370 C ARG A 25 9.421 -9.195 5.224 1.00 0.00 C ATOM 371 O ARG A 25 10.621 -9.387 5.257 1.00 0.00 O ATOM 372 CB ARG A 25 8.334 -9.521 7.452 1.00 0.00 C ATOM 373 CG ARG A 25 7.496 -10.638 6.838 1.00 0.00 C ATOM 374 CD ARG A 25 7.045 -11.595 7.939 1.00 0.00 C ATOM 375 NE ARG A 25 6.341 -12.754 7.326 1.00 0.00 N ATOM 376 CZ ARG A 25 5.284 -13.263 7.900 1.00 0.00 C ATOM 377 NH1 ARG A 25 4.855 -12.781 9.035 1.00 0.00 N ATOM 378 NH2 ARG A 25 4.661 -14.261 7.337 1.00 0.00 N ATOM 0 H ARG A 25 6.578 -8.271 6.177 1.00 0.00 H new ATOM 0 HA ARG A 25 9.341 -7.741 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.241 -9.933 7.894 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.780 -9.035 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.629 -10.219 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.078 -11.175 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.906 -11.939 8.512 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.383 -11.080 8.636 1.00 0.00 H new ATOM 0 HE ARG A 25 6.686 -13.153 6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.346 -12.004 9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.029 -13.182 9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.000 -14.640 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.835 -14.662 7.781 1.00 0.00 H new ATOM 392 N ASN A 26 8.701 -9.566 4.204 1.00 0.00 N ATOM 393 CA ASN A 26 9.338 -10.240 3.041 1.00 0.00 C ATOM 394 C ASN A 26 10.077 -9.194 2.207 1.00 0.00 C ATOM 395 O ASN A 26 10.722 -9.506 1.227 1.00 0.00 O ATOM 396 CB ASN A 26 8.253 -10.886 2.181 1.00 0.00 C ATOM 397 CG ASN A 26 7.588 -12.027 2.950 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.136 -12.529 3.911 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.419 -12.461 2.563 1.00 0.00 N ATOM 0 H ASN A 26 7.693 -9.430 4.126 1.00 0.00 H new ATOM 0 HA ASN A 26 10.036 -11.002 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.507 -10.142 1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.688 -11.265 1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.965 -13.222 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.960 -12.039 1.756 1.00 0.00 H new ATOM 406 N GLY A 27 9.981 -7.950 2.591 1.00 0.00 N ATOM 407 CA GLY A 27 10.669 -6.875 1.825 1.00 0.00 C ATOM 408 C GLY A 27 9.841 -6.531 0.587 1.00 0.00 C ATOM 409 O GLY A 27 10.355 -6.051 -0.405 1.00 0.00 O ATOM 0 H GLY A 27 9.454 -7.632 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.796 -5.991 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.666 -7.203 1.531 1.00 0.00 H new ATOM 413 N ASP A 28 8.562 -6.772 0.641 1.00 0.00 N ATOM 414 CA ASP A 28 7.688 -6.458 -0.521 1.00 0.00 C ATOM 415 C ASP A 28 7.755 -4.957 -0.803 1.00 0.00 C ATOM 416 O ASP A 28 7.801 -4.527 -1.939 1.00 0.00 O ATOM 417 CB ASP A 28 6.253 -6.859 -0.181 1.00 0.00 C ATOM 418 CG ASP A 28 5.370 -6.724 -1.420 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.419 -5.679 -2.045 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.655 -7.667 -1.719 1.00 0.00 O ATOM 0 H ASP A 28 8.082 -7.176 1.445 1.00 0.00 H new ATOM 0 HA ASP A 28 8.019 -7.006 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.229 -7.886 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.870 -6.228 0.621 1.00 0.00 H new ATOM 425 N CYS A 29 7.766 -4.160 0.230 1.00 0.00 N ATOM 426 CA CYS A 29 7.839 -2.686 0.038 1.00 0.00 C ATOM 427 C CYS A 29 9.194 -2.336 -0.573 1.00 0.00 C ATOM 428 O CYS A 29 9.379 -1.282 -1.147 1.00 0.00 O ATOM 429 CB CYS A 29 7.708 -1.990 1.394 1.00 0.00 C ATOM 430 SG CYS A 29 6.285 -2.655 2.295 1.00 0.00 S ATOM 0 H CYS A 29 7.727 -4.468 1.202 1.00 0.00 H new ATOM 0 HA CYS A 29 7.034 -2.358 -0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.618 -2.135 1.976 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.589 -0.916 1.251 1.00 0.00 H new ATOM 435 N ASP A 30 10.149 -3.210 -0.434 1.00 0.00 N ATOM 436 CA ASP A 30 11.501 -2.934 -0.988 1.00 0.00 C ATOM 437 C ASP A 30 11.647 -3.598 -2.356 1.00 0.00 C ATOM 438 O ASP A 30 12.694 -3.548 -2.971 1.00 0.00 O ATOM 439 CB ASP A 30 12.553 -3.492 -0.034 1.00 0.00 C ATOM 440 CG ASP A 30 12.516 -2.696 1.273 1.00 0.00 C ATOM 441 OD1 ASP A 30 11.879 -1.655 1.289 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.121 -3.139 2.237 1.00 0.00 O ATOM 0 H ASP A 30 10.051 -4.107 0.041 1.00 0.00 H new ATOM 0 HA ASP A 30 11.637 -1.858 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.361 -4.547 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.543 -3.427 -0.486 1.00 0.00 H new ATOM 447 N ASN A 31 10.611 -4.220 -2.837 1.00 0.00 N ATOM 448 CA ASN A 31 10.697 -4.886 -4.160 1.00 0.00 C ATOM 449 C ASN A 31 10.042 -3.995 -5.217 1.00 0.00 C ATOM 450 O ASN A 31 8.854 -3.745 -5.190 1.00 0.00 O ATOM 451 CB ASN A 31 9.971 -6.228 -4.086 1.00 0.00 C ATOM 452 CG ASN A 31 10.317 -7.081 -5.307 1.00 0.00 C ATOM 453 OD1 ASN A 31 10.942 -6.615 -6.237 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.936 -8.327 -5.333 1.00 0.00 N ATOM 0 H ASN A 31 9.707 -4.296 -2.370 1.00 0.00 H new ATOM 0 HA ASN A 31 11.740 -5.052 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.254 -6.753 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.894 -6.066 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.163 -8.913 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.411 -8.716 -4.550 1.00 0.00 H new ATOM 461 N ASP A 32 10.817 -3.508 -6.146 1.00 0.00 N ATOM 462 CA ASP A 32 10.256 -2.631 -7.208 1.00 0.00 C ATOM 463 C ASP A 32 9.132 -3.370 -7.929 1.00 0.00 C ATOM 464 O ASP A 32 8.163 -2.783 -8.368 1.00 0.00 O ATOM 465 CB ASP A 32 11.356 -2.286 -8.212 1.00 0.00 C ATOM 466 CG ASP A 32 12.392 -1.381 -7.546 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.175 -0.999 -6.410 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.384 -1.080 -8.188 1.00 0.00 O ATOM 0 H ASP A 32 11.820 -3.682 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 32 9.867 -1.716 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.833 -3.198 -8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.926 -1.786 -9.080 1.00 0.00 H new ATOM 473 N ASP A 33 9.264 -4.659 -8.065 1.00 0.00 N ATOM 474 CA ASP A 33 8.215 -5.451 -8.764 1.00 0.00 C ATOM 475 C ASP A 33 6.929 -5.455 -7.939 1.00 0.00 C ATOM 476 O ASP A 33 5.847 -5.628 -8.464 1.00 0.00 O ATOM 477 CB ASP A 33 8.702 -6.887 -8.947 1.00 0.00 C ATOM 478 CG ASP A 33 7.786 -7.612 -9.933 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.870 -6.980 -10.434 1.00 0.00 O ATOM 480 OD2 ASP A 33 8.015 -8.787 -10.172 1.00 0.00 O ATOM 0 H ASP A 33 10.057 -5.201 -7.721 1.00 0.00 H new ATOM 0 HA ASP A 33 8.016 -5.002 -9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.728 -6.891 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.706 -7.406 -7.989 1.00 0.00 H new ATOM 485 N LYS A 34 7.036 -5.285 -6.649 1.00 0.00 N ATOM 486 CA LYS A 34 5.815 -5.300 -5.799 1.00 0.00 C ATOM 487 C LYS A 34 5.528 -3.894 -5.282 1.00 0.00 C ATOM 488 O LYS A 34 4.548 -3.660 -4.603 1.00 0.00 O ATOM 489 CB LYS A 34 6.040 -6.231 -4.609 1.00 0.00 C ATOM 490 CG LYS A 34 6.643 -7.548 -5.098 1.00 0.00 C ATOM 491 CD LYS A 34 6.565 -8.588 -3.979 1.00 0.00 C ATOM 492 CE LYS A 34 7.123 -9.922 -4.479 1.00 0.00 C ATOM 493 NZ LYS A 34 7.073 -10.923 -3.377 1.00 0.00 N ATOM 0 H LYS A 34 7.913 -5.137 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 34 4.970 -5.650 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.706 -5.760 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.096 -6.419 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.105 -7.903 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.680 -7.397 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.131 -8.247 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.531 -8.713 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.543 -10.275 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.150 -9.794 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.452 -11.831 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.644 -10.586 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.088 -11.052 -3.070 1.00 0.00 H new ATOM 507 N LEU A 35 6.372 -2.956 -5.590 1.00 0.00 N ATOM 508 CA LEU A 35 6.139 -1.570 -5.104 1.00 0.00 C ATOM 509 C LEU A 35 4.728 -1.126 -5.484 1.00 0.00 C ATOM 510 O LEU A 35 3.999 -0.596 -4.669 1.00 0.00 O ATOM 511 CB LEU A 35 7.168 -0.630 -5.733 1.00 0.00 C ATOM 512 CG LEU A 35 8.397 -0.519 -4.827 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.430 0.392 -5.487 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.987 0.084 -3.483 1.00 0.00 C ATOM 0 H LEU A 35 7.211 -3.086 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 35 6.243 -1.541 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.462 -1.003 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.728 0.355 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 35 8.823 -1.510 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.307 0.473 -4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.723 -0.028 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.998 1.381 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.862 0.163 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.563 1.075 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.243 -0.556 -3.009 1.00 0.00 H new ATOM 526 N LEU A 36 4.330 -1.344 -6.705 1.00 0.00 N ATOM 527 CA LEU A 36 2.956 -0.940 -7.116 1.00 0.00 C ATOM 528 C LEU A 36 1.935 -1.776 -6.345 1.00 0.00 C ATOM 529 O LEU A 36 0.910 -1.284 -5.919 1.00 0.00 O ATOM 530 CB LEU A 36 2.773 -1.175 -8.619 1.00 0.00 C ATOM 531 CG LEU A 36 1.374 -0.718 -9.041 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.455 -0.002 -10.391 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.458 -1.939 -9.168 1.00 0.00 C ATOM 0 H LEU A 36 4.893 -1.782 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 36 2.809 0.118 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.531 -0.626 -9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.908 -2.231 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 36 0.973 -0.036 -8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.459 0.323 -10.691 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.109 0.866 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.855 -0.684 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.539 -1.616 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.861 -2.619 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.399 -2.451 -8.208 1.00 0.00 H new ATOM 545 N GLU A 37 2.209 -3.039 -6.166 1.00 0.00 N ATOM 546 CA GLU A 37 1.254 -3.911 -5.430 1.00 0.00 C ATOM 547 C GLU A 37 1.031 -3.347 -4.030 1.00 0.00 C ATOM 548 O GLU A 37 -0.068 -3.334 -3.517 1.00 0.00 O ATOM 549 CB GLU A 37 1.843 -5.318 -5.309 1.00 0.00 C ATOM 550 CG GLU A 37 2.066 -5.902 -6.704 1.00 0.00 C ATOM 551 CD GLU A 37 2.556 -7.346 -6.583 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.843 -7.762 -5.473 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.637 -8.009 -7.604 1.00 0.00 O ATOM 0 H GLU A 37 3.054 -3.504 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 37 0.308 -3.950 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.786 -5.283 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.169 -5.958 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.139 -5.869 -7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.797 -5.303 -7.247 1.00 0.00 H new ATOM 560 N MET A 38 2.074 -2.881 -3.410 1.00 0.00 N ATOM 561 CA MET A 38 1.942 -2.319 -2.042 1.00 0.00 C ATOM 562 C MET A 38 1.192 -0.992 -2.089 1.00 0.00 C ATOM 563 O MET A 38 0.301 -0.744 -1.304 1.00 0.00 O ATOM 564 CB MET A 38 3.335 -2.088 -1.480 1.00 0.00 C ATOM 565 CG MET A 38 4.005 -3.436 -1.215 1.00 0.00 C ATOM 566 SD MET A 38 3.096 -4.322 0.075 1.00 0.00 S ATOM 567 CE MET A 38 2.245 -5.500 -1.006 1.00 0.00 C ATOM 0 H MET A 38 3.019 -2.865 -3.795 1.00 0.00 H new ATOM 0 HA MET A 38 1.387 -3.015 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.931 -1.505 -2.183 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.276 -1.511 -0.557 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.028 -4.028 -2.130 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.040 -3.285 -0.907 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.172 -5.452 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.447 -5.250 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.603 -6.508 -0.799 1.00 0.00 H new ATOM 577 N GLY A 39 1.537 -0.137 -3.009 1.00 0.00 N ATOM 578 CA GLY A 39 0.829 1.163 -3.101 1.00 0.00 C ATOM 579 C GLY A 39 -0.658 0.885 -3.279 1.00 0.00 C ATOM 580 O GLY A 39 -1.505 1.667 -2.899 1.00 0.00 O ATOM 0 H GLY A 39 2.275 -0.283 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.000 1.753 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.210 1.744 -3.941 1.00 0.00 H new ATOM 584 N TYR A 40 -0.975 -0.234 -3.865 1.00 0.00 N ATOM 585 CA TYR A 40 -2.399 -0.588 -4.090 1.00 0.00 C ATOM 586 C TYR A 40 -2.921 -1.475 -2.956 1.00 0.00 C ATOM 587 O TYR A 40 -3.921 -1.175 -2.334 1.00 0.00 O ATOM 588 CB TYR A 40 -2.513 -1.352 -5.407 1.00 0.00 C ATOM 589 CG TYR A 40 -3.925 -1.850 -5.579 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.292 -3.091 -5.050 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.866 -1.073 -6.264 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.601 -3.560 -5.208 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.176 -1.542 -6.421 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.544 -2.785 -5.892 1.00 0.00 C ATOM 595 OH TYR A 40 -7.833 -3.248 -6.049 1.00 0.00 O ATOM 0 H TYR A 40 -0.302 -0.923 -4.200 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.990 0.327 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.241 -0.704 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.817 -2.191 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.565 -3.688 -4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.582 -0.114 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.883 -4.520 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.903 -0.944 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.360 -2.588 -6.546 1.00 0.00 H new ATOM 605 N TYR A 41 -2.274 -2.577 -2.702 1.00 0.00 N ATOM 606 CA TYR A 41 -2.755 -3.494 -1.631 1.00 0.00 C ATOM 607 C TYR A 41 -2.391 -2.958 -0.245 1.00 0.00 C ATOM 608 O TYR A 41 -3.216 -2.930 0.645 1.00 0.00 O ATOM 609 CB TYR A 41 -2.132 -4.877 -1.829 1.00 0.00 C ATOM 610 CG TYR A 41 -2.705 -5.523 -3.072 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.010 -6.032 -3.057 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.933 -5.618 -4.234 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.539 -6.637 -4.205 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.461 -6.221 -5.381 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.765 -6.731 -5.366 1.00 0.00 C ATOM 616 OH TYR A 41 -4.284 -7.330 -6.496 1.00 0.00 O ATOM 0 H TYR A 41 -1.432 -2.883 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.841 -3.563 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.049 -4.789 -1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.329 -5.503 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.608 -5.958 -2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.927 -5.225 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.545 -7.031 -4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.863 -6.293 -6.277 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.616 -7.311 -7.213 1.00 0.00 H new ATOM 626 N CYS A 42 -1.171 -2.546 -0.035 1.00 0.00 N ATOM 627 CA CYS A 42 -0.803 -2.040 1.317 1.00 0.00 C ATOM 628 C CYS A 42 0.003 -0.748 1.212 1.00 0.00 C ATOM 629 O CYS A 42 1.187 -0.722 1.487 1.00 0.00 O ATOM 630 CB CYS A 42 0.018 -3.096 2.049 1.00 0.00 C ATOM 631 SG CYS A 42 -0.759 -4.710 1.823 1.00 0.00 S ATOM 0 H CYS A 42 -0.424 -2.537 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.718 -1.832 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.038 -3.113 1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.081 -2.854 3.110 1.00 0.00 H new ATOM 636 N PRO A 43 -0.647 0.320 0.838 1.00 0.00 N ATOM 637 CA PRO A 43 0.005 1.656 0.711 1.00 0.00 C ATOM 638 C PRO A 43 0.446 2.199 2.070 1.00 0.00 C ATOM 639 O PRO A 43 1.441 2.887 2.185 1.00 0.00 O ATOM 640 CB PRO A 43 -1.094 2.545 0.120 1.00 0.00 C ATOM 641 CG PRO A 43 -2.371 1.873 0.490 1.00 0.00 C ATOM 642 CD PRO A 43 -2.076 0.379 0.495 1.00 0.00 C ATOM 0 HA PRO A 43 0.906 1.614 0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.047 3.555 0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.992 2.632 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.717 2.205 1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.159 2.112 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.688 -0.150 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.276 -0.074 -0.476 1.00 0.00 H new ATOM 650 N VAL A 44 -0.299 1.899 3.099 1.00 0.00 N ATOM 651 CA VAL A 44 0.060 2.395 4.453 1.00 0.00 C ATOM 652 C VAL A 44 1.181 1.538 5.047 1.00 0.00 C ATOM 653 O VAL A 44 2.122 2.045 5.623 1.00 0.00 O ATOM 654 CB VAL A 44 -1.168 2.325 5.362 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.771 2.708 6.788 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.232 3.299 4.854 1.00 0.00 C ATOM 0 H VAL A 44 -1.144 1.329 3.057 1.00 0.00 H new ATOM 0 HA VAL A 44 0.403 3.427 4.375 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.567 1.311 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.647 2.658 7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.011 2.017 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.372 3.722 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.108 3.251 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.831 4.312 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.516 3.029 3.837 1.00 0.00 H new ATOM 666 N THR A 45 1.079 0.241 4.921 1.00 0.00 N ATOM 667 CA THR A 45 2.128 -0.659 5.490 1.00 0.00 C ATOM 668 C THR A 45 3.491 -0.350 4.877 1.00 0.00 C ATOM 669 O THR A 45 4.503 -0.396 5.546 1.00 0.00 O ATOM 670 CB THR A 45 1.781 -2.116 5.181 1.00 0.00 C ATOM 671 OG1 THR A 45 0.464 -2.397 5.629 1.00 0.00 O ATOM 672 CG2 THR A 45 2.777 -3.034 5.891 1.00 0.00 C ATOM 0 H THR A 45 0.312 -0.236 4.447 1.00 0.00 H new ATOM 0 HA THR A 45 2.167 -0.497 6.567 1.00 0.00 H new ATOM 0 HB THR A 45 1.836 -2.285 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.217 -1.765 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.533 -4.074 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.786 -2.817 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.723 -2.867 6.967 1.00 0.00 H new ATOM 680 N CYS A 46 3.534 -0.062 3.608 1.00 0.00 N ATOM 681 CA CYS A 46 4.849 0.214 2.968 1.00 0.00 C ATOM 682 C CYS A 46 5.223 1.686 3.147 1.00 0.00 C ATOM 683 O CYS A 46 6.359 2.071 2.950 1.00 0.00 O ATOM 684 CB CYS A 46 4.778 -0.143 1.485 1.00 0.00 C ATOM 685 SG CYS A 46 4.671 -1.943 1.308 1.00 0.00 S ATOM 0 H CYS A 46 2.724 -0.006 2.991 1.00 0.00 H new ATOM 0 HA CYS A 46 5.618 -0.395 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.911 0.331 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.659 0.233 0.966 1.00 0.00 H new ATOM 690 N GLY A 47 4.298 2.508 3.557 1.00 0.00 N ATOM 691 CA GLY A 47 4.630 3.945 3.790 1.00 0.00 C ATOM 692 C GLY A 47 4.481 4.788 2.518 1.00 0.00 C ATOM 693 O GLY A 47 5.228 5.724 2.305 1.00 0.00 O ATOM 0 H GLY A 47 3.328 2.250 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.979 4.345 4.567 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.653 4.025 4.159 1.00 0.00 H new ATOM 697 N PHE A 48 3.511 4.509 1.690 1.00 0.00 N ATOM 698 CA PHE A 48 3.324 5.352 0.472 1.00 0.00 C ATOM 699 C PHE A 48 2.120 6.254 0.718 1.00 0.00 C ATOM 700 O PHE A 48 1.876 7.209 0.007 1.00 0.00 O ATOM 701 CB PHE A 48 3.050 4.478 -0.754 1.00 0.00 C ATOM 702 CG PHE A 48 4.169 3.483 -0.929 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.487 3.929 -1.084 1.00 0.00 C ATOM 704 CD2 PHE A 48 3.887 2.115 -0.936 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.522 3.002 -1.244 1.00 0.00 C ATOM 706 CE2 PHE A 48 4.921 1.190 -1.096 1.00 0.00 C ATOM 707 CZ PHE A 48 6.238 1.631 -1.252 1.00 0.00 C ATOM 0 H PHE A 48 2.846 3.743 1.801 1.00 0.00 H new ATOM 0 HA PHE A 48 4.226 5.934 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.101 3.955 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.962 5.101 -1.644 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.704 4.987 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.870 1.773 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.540 3.344 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.703 0.132 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.036 0.915 -1.379 1.00 0.00 H new ATOM 717 N CYS A 49 1.371 5.950 1.738 1.00 0.00 N ATOM 718 CA CYS A 49 0.177 6.766 2.069 1.00 0.00 C ATOM 719 C CYS A 49 -0.047 6.738 3.583 1.00 0.00 C ATOM 720 O CYS A 49 0.646 6.057 4.313 1.00 0.00 O ATOM 721 CB CYS A 49 -1.049 6.193 1.359 1.00 0.00 C ATOM 722 SG CYS A 49 -2.287 7.497 1.151 1.00 0.00 S ATOM 0 H CYS A 49 1.539 5.161 2.363 1.00 0.00 H new ATOM 0 HA CYS A 49 0.334 7.794 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.764 5.788 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.466 5.369 1.938 1.00 0.00 H new ATOM 727 N GLU A 50 -1.015 7.472 4.055 1.00 0.00 N ATOM 728 CA GLU A 50 -1.297 7.493 5.515 1.00 0.00 C ATOM 729 C GLU A 50 -2.646 6.817 5.775 1.00 0.00 C ATOM 730 O GLU A 50 -3.525 6.837 4.936 1.00 0.00 O ATOM 731 CB GLU A 50 -1.350 8.946 5.996 1.00 0.00 C ATOM 732 CG GLU A 50 0.063 9.530 6.012 1.00 0.00 C ATOM 733 CD GLU A 50 0.602 9.587 4.583 1.00 0.00 C ATOM 734 OE1 GLU A 50 -0.174 9.889 3.691 1.00 0.00 O ATOM 735 OE2 GLU A 50 1.779 9.327 4.402 1.00 0.00 O ATOM 0 H GLU A 50 -1.625 8.061 3.489 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.513 6.960 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.991 9.534 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.786 8.994 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.051 10.529 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.715 8.918 6.635 1.00 0.00 H new ATOM 742 N PRO A 51 -2.811 6.226 6.927 1.00 0.00 N ATOM 743 CA PRO A 51 -4.078 5.537 7.299 1.00 0.00 C ATOM 744 C PRO A 51 -5.322 6.362 6.943 1.00 0.00 C ATOM 745 O PRO A 51 -6.249 5.788 6.396 1.00 0.00 O ATOM 746 CB PRO A 51 -3.972 5.363 8.815 1.00 0.00 C ATOM 747 CG PRO A 51 -2.510 5.388 9.129 1.00 0.00 C ATOM 748 CD PRO A 51 -1.809 6.152 8.002 1.00 0.00 C ATOM 749 OXT PRO A 51 -5.325 7.549 7.224 1.00 0.00 O ATOM 0 HA PRO A 51 -4.194 4.597 6.759 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.497 6.162 9.338 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.424 4.423 9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.332 5.873 10.089 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.117 4.374 9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.502 7.146 8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.909 5.633 7.671 1.00 0.00 H new TER 757 PRO A 51