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+ -150:sc= -8.47! (180deg=-1.17!) USER MOD Set 1.2: A 17 ASN : amide:sc= -8.63! C(o=-17!,f=-6.5!) USER MOD Single : A 1 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.9!) USER MOD Single : A 1 ASN N :NH3+ -177:sc= 0.0951 (180deg=0.0911) USER MOD Single : A 5 THR OG1 : rot -42:sc= 0.0253 USER MOD Single : A 9 MET CE :methyl 168:sc= -0.69 (180deg=-1.33) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -159:sc= 1.33 USER MOD Single : A 26 ASN : amide:sc= -3.55! C(o=-3.5!,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= -3.56! C(o=-3.6!,f=-6.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 136:sc= -2.28 (180deg=-8.14!) 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 -36:sc= -3.53! USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.512 25.561 -10.263 1.00 0.00 N ATOM 2 CA ASN A 1 -11.848 24.231 -10.205 1.00 0.00 C ATOM 3 C ASN A 1 -12.912 23.140 -10.120 1.00 0.00 C ATOM 4 O ASN A 1 -14.065 23.405 -9.840 1.00 0.00 O ATOM 5 CB ASN A 1 -10.943 24.165 -8.973 1.00 0.00 C ATOM 6 CG ASN A 1 -11.792 24.044 -7.708 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.996 24.205 -7.751 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.209 23.766 -6.576 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.792 26.304 -10.372 1.00 0.00 H new ATOM 0 H2 ASN A 1 -13.164 25.589 -11.073 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.045 25.722 -9.384 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.246 24.083 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.269 23.312 -9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.321 25.059 -8.920 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.763 23.683 -5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.198 23.631 -6.542 1.00 0.00 H new ATOM 14 N ASP A 2 -12.540 21.915 -10.365 1.00 0.00 N ATOM 15 CA ASP A 2 -13.538 20.814 -10.305 1.00 0.00 C ATOM 16 C ASP A 2 -13.918 20.547 -8.851 1.00 0.00 C ATOM 17 O ASP A 2 -13.071 20.454 -7.984 1.00 0.00 O ATOM 18 CB ASP A 2 -12.947 19.541 -10.913 1.00 0.00 C ATOM 19 CG ASP A 2 -14.035 18.465 -10.994 1.00 0.00 C ATOM 20 OD1 ASP A 2 -15.177 18.783 -10.701 1.00 0.00 O ATOM 21 OD2 ASP A 2 -13.707 17.346 -11.347 1.00 0.00 O ATOM 0 H ASP A 2 -11.590 21.630 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.424 21.106 -10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.551 19.749 -11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -12.114 19.187 -10.306 1.00 0.00 H new ATOM 26 N ILE A 3 -15.182 20.420 -8.577 1.00 0.00 N ATOM 27 CA ILE A 3 -15.617 20.155 -7.179 1.00 0.00 C ATOM 28 C ILE A 3 -15.383 18.678 -6.848 1.00 0.00 C ATOM 29 O ILE A 3 -15.661 18.228 -5.757 1.00 0.00 O ATOM 30 CB ILE A 3 -17.105 20.482 -7.031 1.00 0.00 C ATOM 31 CG1 ILE A 3 -17.369 21.887 -7.573 1.00 0.00 C ATOM 32 CG2 ILE A 3 -17.498 20.426 -5.550 1.00 0.00 C ATOM 33 CD1 ILE A 3 -16.418 22.888 -6.910 1.00 0.00 C ATOM 0 H ILE A 3 -15.936 20.488 -9.261 1.00 0.00 H new ATOM 0 HA ILE A 3 -15.042 20.780 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.695 19.756 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -17.230 21.901 -8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.403 22.172 -7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.558 20.659 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.306 19.426 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -16.910 21.153 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -16.611 23.887 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -16.578 22.883 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.387 22.608 -7.125 1.00 0.00 H new ATOM 45 N ARG A 4 -14.879 17.917 -7.784 1.00 0.00 N ATOM 46 CA ARG A 4 -14.640 16.469 -7.513 1.00 0.00 C ATOM 47 C ARG A 4 -13.376 16.306 -6.668 1.00 0.00 C ATOM 48 O ARG A 4 -13.018 15.216 -6.273 1.00 0.00 O ATOM 49 CB ARG A 4 -14.468 15.711 -8.831 1.00 0.00 C ATOM 50 CG ARG A 4 -15.771 15.776 -9.632 1.00 0.00 C ATOM 51 CD ARG A 4 -15.631 14.925 -10.898 1.00 0.00 C ATOM 52 NE ARG A 4 -15.585 13.483 -10.515 1.00 0.00 N ATOM 53 CZ ARG A 4 -15.218 12.579 -11.385 1.00 0.00 C ATOM 54 NH1 ARG A 4 -14.857 12.933 -12.588 1.00 0.00 N ATOM 55 NH2 ARG A 4 -15.210 11.316 -11.048 1.00 0.00 N ATOM 0 H ARG A 4 -14.624 18.233 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.496 16.064 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.652 16.145 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.202 14.673 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -16.602 15.414 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.997 16.809 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.470 15.109 -11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.725 15.200 -11.437 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.841 13.201 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.860 13.918 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.571 12.225 -13.264 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.490 11.037 -10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.924 10.609 -11.726 1.00 0.00 H new ATOM 69 N THR A 5 -12.698 17.383 -6.381 1.00 0.00 N ATOM 70 CA THR A 5 -11.463 17.284 -5.559 1.00 0.00 C ATOM 71 C THR A 5 -11.857 17.021 -4.106 1.00 0.00 C ATOM 72 O THR A 5 -11.020 16.897 -3.235 1.00 0.00 O ATOM 73 CB THR A 5 -10.685 18.598 -5.656 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.332 18.372 -5.288 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.308 19.636 -4.717 1.00 0.00 C ATOM 0 H THR A 5 -12.947 18.326 -6.681 1.00 0.00 H new ATOM 0 HA THR A 5 -10.836 16.469 -5.921 1.00 0.00 H new ATOM 0 HB THR A 5 -10.726 18.970 -6.680 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.300 17.786 -4.503 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.752 20.571 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.346 19.808 -5.002 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.270 19.268 -3.692 1.00 0.00 H new ATOM 83 N ALA A 6 -13.131 16.934 -3.840 1.00 0.00 N ATOM 84 CA ALA A 6 -13.582 16.677 -2.448 1.00 0.00 C ATOM 85 C ALA A 6 -13.488 15.181 -2.150 1.00 0.00 C ATOM 86 O ALA A 6 -13.857 14.726 -1.086 1.00 0.00 O ATOM 87 CB ALA A 6 -15.027 17.144 -2.286 1.00 0.00 C ATOM 0 H ALA A 6 -13.878 17.030 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.946 17.224 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.358 16.955 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.090 18.212 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.666 16.599 -2.981 1.00 0.00 H new ATOM 93 N ALA A 7 -13.001 14.412 -3.082 1.00 0.00 N ATOM 94 CA ALA A 7 -12.894 12.947 -2.851 1.00 0.00 C ATOM 95 C ALA A 7 -12.214 12.685 -1.509 1.00 0.00 C ATOM 96 O ALA A 7 -11.286 13.369 -1.124 1.00 0.00 O ATOM 97 CB ALA A 7 -12.065 12.313 -3.969 1.00 0.00 C ATOM 0 H ALA A 7 -12.673 14.735 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.893 12.511 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.987 11.239 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.549 12.495 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.068 12.753 -3.977 1.00 0.00 H new ATOM 103 N ASP A 8 -12.668 11.693 -0.796 1.00 0.00 N ATOM 104 CA ASP A 8 -12.049 11.373 0.517 1.00 0.00 C ATOM 105 C ASP A 8 -11.079 10.208 0.338 1.00 0.00 C ATOM 106 O ASP A 8 -10.622 9.613 1.293 1.00 0.00 O ATOM 107 CB ASP A 8 -13.139 10.973 1.514 1.00 0.00 C ATOM 108 CG ASP A 8 -14.046 12.171 1.794 1.00 0.00 C ATOM 109 OD1 ASP A 8 -13.684 13.266 1.398 1.00 0.00 O ATOM 110 OD2 ASP A 8 -15.088 11.973 2.398 1.00 0.00 O ATOM 0 H ASP A 8 -13.444 11.089 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.517 12.246 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.726 10.146 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.686 10.623 2.442 1.00 0.00 H new ATOM 115 N MET A 9 -10.769 9.869 -0.883 1.00 0.00 N ATOM 116 CA MET A 9 -9.838 8.732 -1.125 1.00 0.00 C ATOM 117 C MET A 9 -8.427 9.124 -0.698 1.00 0.00 C ATOM 118 O MET A 9 -7.462 8.449 -0.999 1.00 0.00 O ATOM 119 CB MET A 9 -9.839 8.376 -2.612 1.00 0.00 C ATOM 120 CG MET A 9 -11.054 7.503 -2.926 1.00 0.00 C ATOM 121 SD MET A 9 -10.501 5.811 -3.235 1.00 0.00 S ATOM 122 CE MET A 9 -9.918 5.463 -1.558 1.00 0.00 C ATOM 0 H MET A 9 -11.120 10.330 -1.723 1.00 0.00 H new ATOM 0 HA MET A 9 -10.166 7.870 -0.545 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.865 9.284 -3.214 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.921 7.848 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.757 7.523 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.581 7.891 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.724 4.395 -1.454 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.999 6.019 -1.369 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.679 5.765 -0.838 1.00 0.00 H new ATOM 132 N GLU A 10 -8.307 10.204 0.010 1.00 0.00 N ATOM 133 CA GLU A 10 -6.968 10.653 0.478 1.00 0.00 C ATOM 134 C GLU A 10 -6.441 9.672 1.522 1.00 0.00 C ATOM 135 O GLU A 10 -5.256 9.604 1.783 1.00 0.00 O ATOM 136 CB GLU A 10 -7.111 12.036 1.108 1.00 0.00 C ATOM 137 CG GLU A 10 -5.749 12.538 1.596 1.00 0.00 C ATOM 138 CD GLU A 10 -4.858 12.879 0.402 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.394 13.199 -0.646 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.649 12.820 0.556 1.00 0.00 O ATOM 0 H GLU A 10 -9.084 10.803 0.289 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.273 10.694 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.525 12.734 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.811 11.993 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.881 13.419 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.271 11.776 2.211 1.00 0.00 H new ATOM 147 N HIS A 11 -7.311 8.918 2.128 1.00 0.00 N ATOM 148 CA HIS A 11 -6.860 7.956 3.160 1.00 0.00 C ATOM 149 C HIS A 11 -6.807 6.558 2.556 1.00 0.00 C ATOM 150 O HIS A 11 -7.767 6.065 1.995 1.00 0.00 O ATOM 151 CB HIS A 11 -7.832 7.975 4.341 1.00 0.00 C ATOM 152 CG HIS A 11 -7.771 9.320 5.015 1.00 0.00 C ATOM 153 ND1 HIS A 11 -8.649 10.352 4.706 1.00 0.00 N ATOM 154 CD2 HIS A 11 -6.931 9.819 5.979 1.00 0.00 C ATOM 155 CE1 HIS A 11 -8.317 11.410 5.472 1.00 0.00 C ATOM 156 NE2 HIS A 11 -7.278 11.136 6.262 1.00 0.00 N ATOM 0 H HIS A 11 -8.316 8.928 1.951 1.00 0.00 H new ATOM 0 HA HIS A 11 -5.867 8.236 3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.846 7.774 3.995 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -7.576 7.188 5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -6.125 9.273 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -8.828 12.361 5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -6.831 11.761 6.933 1.00 0.00 H new ATOM 165 N CYS A 12 -5.683 5.920 2.682 1.00 0.00 N ATOM 166 CA CYS A 12 -5.530 4.550 2.136 1.00 0.00 C ATOM 167 C CYS A 12 -5.491 3.573 3.302 1.00 0.00 C ATOM 168 O CYS A 12 -5.161 3.935 4.413 1.00 0.00 O ATOM 169 CB CYS A 12 -4.219 4.451 1.361 1.00 0.00 C ATOM 170 SG CYS A 12 -3.930 5.981 0.442 1.00 0.00 S ATOM 0 H CYS A 12 -4.855 6.294 3.145 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.361 4.319 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.393 4.268 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.255 3.605 0.674 1.00 0.00 H new ATOM 175 N ALA A 13 -5.824 2.340 3.070 1.00 0.00 N ATOM 176 CA ALA A 13 -5.800 1.354 4.179 1.00 0.00 C ATOM 177 C ALA A 13 -5.172 0.048 3.695 1.00 0.00 C ATOM 178 O ALA A 13 -5.256 -0.302 2.536 1.00 0.00 O ATOM 179 CB ALA A 13 -7.229 1.101 4.648 1.00 0.00 C ATOM 0 H ALA A 13 -6.111 1.972 2.163 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.207 1.744 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.222 0.377 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.668 2.036 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.820 0.709 3.820 1.00 0.00 H new ATOM 185 N ASP A 14 -4.544 -0.678 4.580 1.00 0.00 N ATOM 186 CA ASP A 14 -3.917 -1.963 4.170 1.00 0.00 C ATOM 187 C ASP A 14 -5.013 -2.952 3.780 1.00 0.00 C ATOM 188 O ASP A 14 -6.011 -3.084 4.460 1.00 0.00 O ATOM 189 CB ASP A 14 -3.107 -2.521 5.339 1.00 0.00 C ATOM 190 CG ASP A 14 -1.966 -1.557 5.662 1.00 0.00 C ATOM 191 OD1 ASP A 14 -1.509 -0.889 4.750 1.00 0.00 O ATOM 192 OD2 ASP A 14 -1.571 -1.498 6.814 1.00 0.00 O ATOM 0 H ASP A 14 -4.439 -0.436 5.565 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.256 -1.801 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.747 -2.652 6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.709 -3.504 5.086 1.00 0.00 H new ATOM 197 N GLU A 15 -4.845 -3.641 2.686 1.00 0.00 N ATOM 198 CA GLU A 15 -5.890 -4.611 2.257 1.00 0.00 C ATOM 199 C GLU A 15 -6.107 -5.642 3.359 1.00 0.00 C ATOM 200 O GLU A 15 -5.173 -6.121 3.968 1.00 0.00 O ATOM 201 CB GLU A 15 -5.438 -5.337 0.986 1.00 0.00 C ATOM 202 CG GLU A 15 -6.377 -5.011 -0.181 1.00 0.00 C ATOM 203 CD GLU A 15 -6.801 -6.306 -0.881 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.079 -7.282 -0.769 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.842 -6.298 -1.518 1.00 0.00 O ATOM 0 H GLU A 15 -4.033 -3.575 2.073 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.816 -4.071 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.419 -5.042 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.424 -6.413 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.256 -4.479 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.877 -4.351 -0.889 1.00 0.00 H new ATOM 212 N LYS A 16 -7.333 -5.999 3.609 1.00 0.00 N ATOM 213 CA LYS A 16 -7.605 -7.010 4.660 1.00 0.00 C ATOM 214 C LYS A 16 -7.480 -8.411 4.056 1.00 0.00 C ATOM 215 O LYS A 16 -7.253 -9.378 4.754 1.00 0.00 O ATOM 216 CB LYS A 16 -9.015 -6.811 5.208 1.00 0.00 C ATOM 217 CG LYS A 16 -10.044 -7.166 4.138 1.00 0.00 C ATOM 218 CD LYS A 16 -11.435 -6.859 4.679 1.00 0.00 C ATOM 219 CE LYS A 16 -12.484 -7.514 3.786 1.00 0.00 C ATOM 220 NZ LYS A 16 -11.955 -7.618 2.399 1.00 0.00 N ATOM 0 H LYS A 16 -8.157 -5.634 3.131 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.886 -6.897 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.164 -7.436 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.149 -5.777 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.857 -6.594 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.966 -8.220 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.529 -7.228 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.594 -5.781 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.735 -8.504 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.402 -6.927 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.743 -7.567 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.293 -6.836 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.458 -8.524 2.284 1.00 0.00 H new ATOM 234 N ASN A 17 -7.618 -8.527 2.762 1.00 0.00 N ATOM 235 CA ASN A 17 -7.496 -9.866 2.120 1.00 0.00 C ATOM 236 C ASN A 17 -6.031 -10.115 1.760 1.00 0.00 C ATOM 237 O ASN A 17 -5.645 -11.210 1.395 1.00 0.00 O ATOM 238 CB ASN A 17 -8.348 -9.904 0.852 1.00 0.00 C ATOM 239 CG ASN A 17 -9.797 -9.565 1.196 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.465 -10.313 1.883 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.311 -8.451 0.755 1.00 0.00 N ATOM 0 H ASN A 17 -7.809 -7.754 2.124 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.842 -10.637 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.962 -9.194 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.294 -10.892 0.395 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.274 -8.207 0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.750 -7.824 0.179 1.00 0.00 H new ATOM 248 N PHE A 18 -5.212 -9.104 1.860 1.00 0.00 N ATOM 249 CA PHE A 18 -3.768 -9.266 1.527 1.00 0.00 C ATOM 250 C PHE A 18 -2.951 -9.234 2.821 1.00 0.00 C ATOM 251 O PHE A 18 -3.156 -8.392 3.670 1.00 0.00 O ATOM 252 CB PHE A 18 -3.332 -8.115 0.618 1.00 0.00 C ATOM 253 CG PHE A 18 -1.963 -8.402 0.055 1.00 0.00 C ATOM 254 CD1 PHE A 18 -0.825 -7.983 0.747 1.00 0.00 C ATOM 255 CD2 PHE A 18 -1.831 -9.086 -1.160 1.00 0.00 C ATOM 256 CE1 PHE A 18 0.446 -8.246 0.230 1.00 0.00 C ATOM 257 CE2 PHE A 18 -0.558 -9.350 -1.680 1.00 0.00 C ATOM 258 CZ PHE A 18 0.581 -8.931 -0.984 1.00 0.00 C ATOM 0 H PHE A 18 -5.483 -8.167 2.160 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.607 -10.215 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.050 -7.987 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.316 -7.181 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.927 -7.455 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.711 -9.410 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.325 -7.921 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.455 -9.877 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.564 -9.136 -1.383 1.00 0.00 H new ATOM 268 N ASP A 19 -2.027 -10.145 2.985 1.00 0.00 N ATOM 269 CA ASP A 19 -1.203 -10.153 4.230 1.00 0.00 C ATOM 270 C ASP A 19 -0.082 -9.124 4.083 1.00 0.00 C ATOM 271 O ASP A 19 1.010 -9.434 3.652 1.00 0.00 O ATOM 272 CB ASP A 19 -0.613 -11.549 4.447 1.00 0.00 C ATOM 273 CG ASP A 19 -1.749 -12.559 4.619 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.823 -12.148 5.029 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.529 -13.726 4.337 1.00 0.00 O ATOM 0 H ASP A 19 -1.808 -10.881 2.314 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.822 -9.898 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.011 -11.828 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.028 -11.552 5.329 1.00 0.00 H new ATOM 280 N CYS A 20 -0.352 -7.893 4.416 1.00 0.00 N ATOM 281 CA CYS A 20 0.687 -6.836 4.277 1.00 0.00 C ATOM 282 C CYS A 20 1.805 -7.072 5.287 1.00 0.00 C ATOM 283 O CYS A 20 2.971 -6.851 5.012 1.00 0.00 O ATOM 284 CB CYS A 20 0.047 -5.474 4.533 1.00 0.00 C ATOM 285 SG CYS A 20 -1.437 -5.319 3.514 1.00 0.00 S ATOM 0 H CYS A 20 -1.250 -7.573 4.779 1.00 0.00 H new ATOM 0 HA CYS A 20 1.105 -6.866 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.208 -5.370 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.751 -4.677 4.296 1.00 0.00 H new ATOM 290 N ARG A 21 1.453 -7.530 6.454 1.00 0.00 N ATOM 291 CA ARG A 21 2.478 -7.790 7.498 1.00 0.00 C ATOM 292 C ARG A 21 3.483 -8.814 6.973 1.00 0.00 C ATOM 293 O ARG A 21 4.681 -8.650 7.101 1.00 0.00 O ATOM 294 CB ARG A 21 1.771 -8.355 8.728 1.00 0.00 C ATOM 295 CG ARG A 21 2.648 -8.192 9.972 1.00 0.00 C ATOM 296 CD ARG A 21 3.932 -9.009 9.819 1.00 0.00 C ATOM 297 NE ARG A 21 4.492 -9.299 11.166 1.00 0.00 N ATOM 298 CZ ARG A 21 4.038 -10.309 11.855 1.00 0.00 C ATOM 299 NH1 ARG A 21 3.097 -11.060 11.356 1.00 0.00 N ATOM 300 NH2 ARG A 21 4.522 -10.567 13.039 1.00 0.00 N ATOM 0 H ARG A 21 0.493 -7.736 6.730 1.00 0.00 H new ATOM 0 HA ARG A 21 3.004 -6.870 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.821 -7.842 8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.543 -9.409 8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.892 -7.140 10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.102 -8.519 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.724 -9.939 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.658 -8.458 9.221 1.00 0.00 H new ATOM 0 HE ARG A 21 5.230 -8.709 11.550 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.719 -10.857 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.738 -11.851 11.891 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.258 -9.978 13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.164 -11.358 13.575 1.00 0.00 H new ATOM 314 N ARG A 22 3.007 -9.864 6.367 1.00 0.00 N ATOM 315 CA ARG A 22 3.935 -10.888 5.828 1.00 0.00 C ATOM 316 C ARG A 22 4.688 -10.305 4.639 1.00 0.00 C ATOM 317 O ARG A 22 5.892 -10.416 4.526 1.00 0.00 O ATOM 318 CB ARG A 22 3.137 -12.107 5.373 1.00 0.00 C ATOM 319 CG ARG A 22 3.876 -12.785 4.221 1.00 0.00 C ATOM 320 CD ARG A 22 3.284 -14.171 3.971 1.00 0.00 C ATOM 321 NE ARG A 22 3.948 -14.782 2.788 1.00 0.00 N ATOM 322 CZ ARG A 22 3.750 -14.277 1.601 1.00 0.00 C ATOM 323 NH1 ARG A 22 2.961 -13.250 1.456 1.00 0.00 N ATOM 324 NH2 ARG A 22 4.338 -14.799 0.561 1.00 0.00 N ATOM 0 H ARG A 22 2.016 -10.055 6.223 1.00 0.00 H new ATOM 0 HA ARG A 22 4.643 -11.185 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.010 -12.804 6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.139 -11.806 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.798 -12.178 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.937 -12.870 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.424 -14.803 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.210 -14.095 3.801 1.00 0.00 H new ATOM 0 HE ARG A 22 4.556 -15.593 2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.500 -12.842 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.805 -12.854 0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.954 -15.604 0.674 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.182 -14.403 -0.366 1.00 0.00 H new ATOM 338 N SER A 23 3.982 -9.680 3.749 1.00 0.00 N ATOM 339 CA SER A 23 4.644 -9.078 2.567 1.00 0.00 C ATOM 340 C SER A 23 5.632 -7.999 3.025 1.00 0.00 C ATOM 341 O SER A 23 6.699 -7.846 2.464 1.00 0.00 O ATOM 342 CB SER A 23 3.577 -8.466 1.665 1.00 0.00 C ATOM 343 OG SER A 23 2.796 -9.511 1.097 1.00 0.00 O ATOM 0 H SER A 23 2.970 -9.559 3.789 1.00 0.00 H new ATOM 0 HA SER A 23 5.192 -9.842 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.942 -7.790 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.044 -7.874 0.878 1.00 0.00 H new ATOM 0 HG SER A 23 2.354 -9.185 0.286 1.00 0.00 H new ATOM 349 N LEU A 24 5.285 -7.251 4.042 1.00 0.00 N ATOM 350 CA LEU A 24 6.205 -6.182 4.536 1.00 0.00 C ATOM 351 C LEU A 24 7.512 -6.797 5.043 1.00 0.00 C ATOM 352 O LEU A 24 8.588 -6.362 4.687 1.00 0.00 O ATOM 353 CB LEU A 24 5.537 -5.417 5.683 1.00 0.00 C ATOM 354 CG LEU A 24 6.504 -4.363 6.230 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.679 -3.237 5.210 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.944 -3.787 7.532 1.00 0.00 C ATOM 0 H LEU A 24 4.405 -7.334 4.551 1.00 0.00 H new ATOM 0 HA LEU A 24 6.423 -5.503 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.623 -4.939 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.250 -6.108 6.476 1.00 0.00 H new ATOM 0 HG LEU A 24 7.471 -4.828 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.368 -2.491 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.080 -3.645 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.714 -2.771 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.631 -3.036 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.975 -3.327 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.826 -4.587 8.263 1.00 0.00 H new ATOM 368 N ARG A 25 7.435 -7.802 5.873 1.00 0.00 N ATOM 369 CA ARG A 25 8.685 -8.423 6.391 1.00 0.00 C ATOM 370 C ARG A 25 9.407 -9.115 5.238 1.00 0.00 C ATOM 371 O ARG A 25 10.601 -9.335 5.280 1.00 0.00 O ATOM 372 CB ARG A 25 8.357 -9.443 7.484 1.00 0.00 C ATOM 373 CG ARG A 25 7.405 -10.501 6.936 1.00 0.00 C ATOM 374 CD ARG A 25 6.997 -11.448 8.065 1.00 0.00 C ATOM 375 NE ARG A 25 8.212 -12.064 8.665 1.00 0.00 N ATOM 376 CZ ARG A 25 8.914 -12.931 7.986 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.544 -13.267 6.780 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.978 -13.464 8.518 1.00 0.00 N ATOM 0 H ARG A 25 6.567 -8.217 6.212 1.00 0.00 H new ATOM 0 HA ARG A 25 9.324 -7.650 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.273 -9.915 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.904 -8.941 8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.522 -10.026 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.887 -11.060 6.134 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.440 -10.903 8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.336 -12.224 7.681 1.00 0.00 H new ATOM 0 HE ARG A 25 8.497 -11.808 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.708 -12.852 6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.091 -13.944 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.261 -13.204 9.463 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.528 -14.141 7.989 1.00 0.00 H new ATOM 392 N ASN A 26 8.687 -9.457 4.206 1.00 0.00 N ATOM 393 CA ASN A 26 9.322 -10.131 3.038 1.00 0.00 C ATOM 394 C ASN A 26 10.055 -9.094 2.194 1.00 0.00 C ATOM 395 O ASN A 26 10.673 -9.412 1.196 1.00 0.00 O ATOM 396 CB ASN A 26 8.242 -10.791 2.182 1.00 0.00 C ATOM 397 CG ASN A 26 7.653 -11.987 2.931 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.316 -12.592 3.751 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.426 -12.358 2.685 1.00 0.00 N ATOM 0 H ASN A 26 7.683 -9.298 4.121 1.00 0.00 H new ATOM 0 HA ASN A 26 10.024 -10.885 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.457 -10.071 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.665 -11.117 1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.025 -13.154 3.180 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.868 -11.852 1.997 1.00 0.00 H new ATOM 406 N GLY A 27 9.989 -7.853 2.584 1.00 0.00 N ATOM 407 CA GLY A 27 10.677 -6.789 1.807 1.00 0.00 C ATOM 408 C GLY A 27 9.828 -6.424 0.586 1.00 0.00 C ATOM 409 O GLY A 27 10.323 -5.900 -0.393 1.00 0.00 O ATOM 0 H GLY A 27 9.486 -7.530 3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.833 -5.910 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.661 -7.133 1.490 1.00 0.00 H new ATOM 413 N ASP A 28 8.552 -6.696 0.640 1.00 0.00 N ATOM 414 CA ASP A 28 7.668 -6.365 -0.513 1.00 0.00 C ATOM 415 C ASP A 28 7.735 -4.862 -0.778 1.00 0.00 C ATOM 416 O ASP A 28 7.773 -4.419 -1.908 1.00 0.00 O ATOM 417 CB ASP A 28 6.229 -6.759 -0.176 1.00 0.00 C ATOM 418 CG ASP A 28 5.357 -6.630 -1.423 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.480 -5.628 -2.103 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.576 -7.535 -1.673 1.00 0.00 O ATOM 0 H ASP A 28 8.084 -7.133 1.434 1.00 0.00 H new ATOM 0 HA ASP A 28 7.996 -6.909 -1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.199 -7.783 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.843 -6.120 0.618 1.00 0.00 H new ATOM 425 N CYS A 29 7.757 -4.074 0.261 1.00 0.00 N ATOM 426 CA CYS A 29 7.833 -2.602 0.071 1.00 0.00 C ATOM 427 C CYS A 29 9.197 -2.255 -0.531 1.00 0.00 C ATOM 428 O CYS A 29 9.381 -1.209 -1.116 1.00 0.00 O ATOM 429 CB CYS A 29 7.683 -1.899 1.420 1.00 0.00 C ATOM 430 SG CYS A 29 6.263 -2.582 2.311 1.00 0.00 S ATOM 0 H CYS A 29 7.726 -4.387 1.231 1.00 0.00 H new ATOM 0 HA CYS A 29 7.034 -2.275 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.590 -2.027 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.549 -0.828 1.270 1.00 0.00 H new ATOM 435 N ASP A 30 10.157 -3.129 -0.380 1.00 0.00 N ATOM 436 CA ASP A 30 11.512 -2.850 -0.930 1.00 0.00 C ATOM 437 C ASP A 30 11.655 -3.473 -2.314 1.00 0.00 C ATOM 438 O ASP A 30 12.683 -3.357 -2.953 1.00 0.00 O ATOM 439 CB ASP A 30 12.565 -3.445 0.001 1.00 0.00 C ATOM 440 CG ASP A 30 12.548 -2.690 1.329 1.00 0.00 C ATOM 441 OD1 ASP A 30 11.899 -1.662 1.394 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.185 -3.156 2.261 1.00 0.00 O ATOM 0 H ASP A 30 10.059 -4.023 0.101 1.00 0.00 H new ATOM 0 HA ASP A 30 11.650 -1.772 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.363 -4.503 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.552 -3.377 -0.457 1.00 0.00 H new ATOM 447 N ASN A 31 10.644 -4.136 -2.791 1.00 0.00 N ATOM 448 CA ASN A 31 10.745 -4.759 -4.131 1.00 0.00 C ATOM 449 C ASN A 31 10.066 -3.854 -5.160 1.00 0.00 C ATOM 450 O ASN A 31 8.871 -3.642 -5.123 1.00 0.00 O ATOM 451 CB ASN A 31 10.053 -6.120 -4.098 1.00 0.00 C ATOM 452 CG ASN A 31 10.354 -6.879 -5.387 1.00 0.00 C ATOM 453 OD1 ASN A 31 10.940 -6.337 -6.305 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.978 -8.121 -5.494 1.00 0.00 N ATOM 0 H ASN A 31 9.754 -4.272 -2.311 1.00 0.00 H new ATOM 0 HA ASN A 31 11.792 -4.890 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.398 -6.694 -3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.977 -5.989 -3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.175 -8.642 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.487 -8.573 -4.723 1.00 0.00 H new ATOM 461 N ASP A 32 10.820 -3.311 -6.076 1.00 0.00 N ATOM 462 CA ASP A 32 10.214 -2.416 -7.102 1.00 0.00 C ATOM 463 C ASP A 32 9.119 -3.179 -7.844 1.00 0.00 C ATOM 464 O ASP A 32 8.136 -2.615 -8.285 1.00 0.00 O ATOM 465 CB ASP A 32 11.290 -1.963 -8.095 1.00 0.00 C ATOM 466 CG ASP A 32 12.326 -1.106 -7.366 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.032 -0.658 -6.270 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.398 -0.911 -7.917 1.00 0.00 O ATOM 0 H ASP A 32 11.827 -3.448 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 32 9.787 -1.539 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.772 -2.830 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.836 -1.393 -8.905 1.00 0.00 H new ATOM 473 N ASP A 33 9.297 -4.458 -7.993 1.00 0.00 N ATOM 474 CA ASP A 33 8.296 -5.284 -8.705 1.00 0.00 C ATOM 475 C ASP A 33 7.006 -5.376 -7.889 1.00 0.00 C ATOM 476 O ASP A 33 5.950 -5.664 -8.417 1.00 0.00 O ATOM 477 CB ASP A 33 8.883 -6.678 -8.894 1.00 0.00 C ATOM 478 CG ASP A 33 10.075 -6.603 -9.849 1.00 0.00 C ATOM 479 OD1 ASP A 33 10.197 -5.598 -10.535 1.00 0.00 O ATOM 480 OD2 ASP A 33 10.847 -7.548 -9.877 1.00 0.00 O ATOM 0 H ASP A 33 10.107 -4.972 -7.645 1.00 0.00 H new ATOM 0 HA ASP A 33 8.060 -4.833 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.198 -7.085 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.125 -7.352 -9.293 1.00 0.00 H new ATOM 485 N LYS A 34 7.079 -5.155 -6.607 1.00 0.00 N ATOM 486 CA LYS A 34 5.849 -5.249 -5.776 1.00 0.00 C ATOM 487 C LYS A 34 5.492 -3.864 -5.239 1.00 0.00 C ATOM 488 O LYS A 34 4.498 -3.687 -4.564 1.00 0.00 O ATOM 489 CB LYS A 34 6.101 -6.201 -4.607 1.00 0.00 C ATOM 490 CG LYS A 34 6.745 -7.486 -5.134 1.00 0.00 C ATOM 491 CD LYS A 34 6.739 -8.558 -4.041 1.00 0.00 C ATOM 492 CE LYS A 34 7.475 -9.805 -4.540 1.00 0.00 C ATOM 493 NZ LYS A 34 6.751 -11.028 -4.087 1.00 0.00 N ATOM 0 H LYS A 34 7.932 -4.915 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 34 5.025 -5.626 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.752 -5.729 -3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.163 -6.431 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.202 -7.843 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.768 -7.286 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.219 -8.176 -3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.714 -8.812 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.540 -9.790 -5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.497 -9.813 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.252 -11.874 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.711 -11.043 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.784 -11.021 -4.470 1.00 0.00 H new ATOM 507 N LEU A 35 6.292 -2.877 -5.533 1.00 0.00 N ATOM 508 CA LEU A 35 5.977 -1.513 -5.030 1.00 0.00 C ATOM 509 C LEU A 35 4.574 -1.122 -5.482 1.00 0.00 C ATOM 510 O LEU A 35 3.789 -0.604 -4.713 1.00 0.00 O ATOM 511 CB LEU A 35 6.997 -0.513 -5.574 1.00 0.00 C ATOM 512 CG LEU A 35 8.220 -0.472 -4.660 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.255 0.480 -5.254 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.813 0.031 -3.273 1.00 0.00 C ATOM 0 H LEU A 35 7.141 -2.955 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 35 6.022 -1.506 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.295 -0.797 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.548 0.478 -5.641 1.00 0.00 H new ATOM 0 HG LEU A 35 8.641 -1.474 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.131 0.515 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.548 0.128 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.826 1.478 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.689 0.059 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.393 1.033 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.067 -0.640 -2.847 1.00 0.00 H new ATOM 526 N LEU A 36 4.243 -1.376 -6.718 1.00 0.00 N ATOM 527 CA LEU A 36 2.881 -1.026 -7.196 1.00 0.00 C ATOM 528 C LEU A 36 1.859 -1.880 -6.444 1.00 0.00 C ATOM 529 O LEU A 36 0.796 -1.420 -6.082 1.00 0.00 O ATOM 530 CB LEU A 36 2.777 -1.306 -8.696 1.00 0.00 C ATOM 531 CG LEU A 36 1.423 -0.819 -9.217 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.615 -0.104 -10.557 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.496 -2.022 -9.412 1.00 0.00 C ATOM 0 H LEU A 36 4.854 -1.808 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 36 2.685 0.031 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.585 -0.802 -9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.888 -2.374 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 36 0.984 -0.128 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.650 0.242 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.279 0.750 -10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.053 -0.794 -11.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.470 -1.680 -9.783 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.939 -2.710 -10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.358 -2.534 -8.459 1.00 0.00 H new ATOM 545 N GLU A 37 2.179 -3.122 -6.201 1.00 0.00 N ATOM 546 CA GLU A 37 1.229 -4.006 -5.473 1.00 0.00 C ATOM 547 C GLU A 37 0.987 -3.443 -4.077 1.00 0.00 C ATOM 548 O GLU A 37 -0.112 -3.471 -3.564 1.00 0.00 O ATOM 549 CB GLU A 37 1.836 -5.406 -5.353 1.00 0.00 C ATOM 550 CG GLU A 37 2.102 -5.967 -6.749 1.00 0.00 C ATOM 551 CD GLU A 37 2.585 -7.414 -6.637 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.863 -7.842 -5.529 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.669 -8.070 -7.660 1.00 0.00 O ATOM 0 H GLU A 37 3.058 -3.561 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 37 0.286 -4.058 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.764 -5.364 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.157 -6.063 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.193 -5.922 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.851 -5.361 -7.259 1.00 0.00 H new ATOM 560 N MET A 38 2.013 -2.933 -3.459 1.00 0.00 N ATOM 561 CA MET A 38 1.860 -2.363 -2.095 1.00 0.00 C ATOM 562 C MET A 38 1.066 -1.063 -2.167 1.00 0.00 C ATOM 563 O MET A 38 0.127 -0.852 -1.422 1.00 0.00 O ATOM 564 CB MET A 38 3.244 -2.074 -1.528 1.00 0.00 C ATOM 565 CG MET A 38 4.004 -3.387 -1.335 1.00 0.00 C ATOM 566 SD MET A 38 3.120 -4.439 -0.154 1.00 0.00 S ATOM 567 CE MET A 38 2.432 -5.628 -1.337 1.00 0.00 C ATOM 0 H MET A 38 2.957 -2.886 -3.843 1.00 0.00 H new ATOM 0 HA MET A 38 1.332 -3.072 -1.457 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.795 -1.419 -2.203 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.156 -1.550 -0.576 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.106 -3.903 -2.290 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.012 -3.185 -0.973 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.551 -6.639 -0.947 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.373 -5.420 -1.488 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.958 -5.541 -2.288 1.00 0.00 H new ATOM 577 N GLY A 39 1.430 -0.189 -3.062 1.00 0.00 N ATOM 578 CA GLY A 39 0.687 1.091 -3.187 1.00 0.00 C ATOM 579 C GLY A 39 -0.780 0.769 -3.431 1.00 0.00 C ATOM 580 O GLY A 39 -1.665 1.542 -3.123 1.00 0.00 O ATOM 0 H GLY A 39 2.208 -0.307 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.800 1.686 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.088 1.684 -4.009 1.00 0.00 H new ATOM 584 N TYR A 40 -1.042 -0.375 -3.997 1.00 0.00 N ATOM 585 CA TYR A 40 -2.446 -0.774 -4.275 1.00 0.00 C ATOM 586 C TYR A 40 -2.993 -1.652 -3.140 1.00 0.00 C ATOM 587 O TYR A 40 -4.036 -1.376 -2.580 1.00 0.00 O ATOM 588 CB TYR A 40 -2.491 -1.558 -5.585 1.00 0.00 C ATOM 589 CG TYR A 40 -3.887 -2.085 -5.805 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.266 -3.305 -5.235 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.804 -1.358 -6.574 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.560 -3.799 -5.434 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.097 -1.853 -6.774 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.475 -3.075 -6.204 1.00 0.00 C ATOM 595 OH TYR A 40 -7.752 -3.562 -6.406 1.00 0.00 O ATOM 0 H TYR A 40 -0.337 -1.055 -4.281 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.060 0.123 -4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.197 -0.917 -6.416 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.780 -2.383 -5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.560 -3.866 -4.641 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.513 -0.415 -7.013 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.852 -4.740 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.804 -1.293 -7.368 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.257 -2.934 -6.963 1.00 0.00 H new ATOM 605 N TYR A 41 -2.311 -2.725 -2.813 1.00 0.00 N ATOM 606 CA TYR A 41 -2.811 -3.632 -1.737 1.00 0.00 C ATOM 607 C TYR A 41 -2.461 -3.087 -0.352 1.00 0.00 C ATOM 608 O TYR A 41 -3.301 -3.033 0.528 1.00 0.00 O ATOM 609 CB TYR A 41 -2.183 -5.017 -1.909 1.00 0.00 C ATOM 610 CG TYR A 41 -2.755 -5.684 -3.136 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.061 -6.188 -3.115 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.977 -5.804 -4.294 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.591 -6.805 -4.255 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.507 -6.421 -5.433 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.814 -6.923 -5.412 1.00 0.00 C ATOM 616 OH TYR A 41 -4.337 -7.532 -6.536 1.00 0.00 O ATOM 0 H TYR A 41 -1.432 -3.009 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.896 -3.697 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.101 -4.927 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.377 -5.627 -1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.659 -6.101 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.968 -5.420 -4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.600 -7.190 -4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.908 -6.510 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.667 -7.530 -7.251 1.00 0.00 H new ATOM 626 N CYS A 42 -1.232 -2.699 -0.134 1.00 0.00 N ATOM 627 CA CYS A 42 -0.853 -2.185 1.214 1.00 0.00 C ATOM 628 C CYS A 42 -0.081 -0.872 1.096 1.00 0.00 C ATOM 629 O CYS A 42 1.100 -0.810 1.385 1.00 0.00 O ATOM 630 CB CYS A 42 0.011 -3.219 1.924 1.00 0.00 C ATOM 631 SG CYS A 42 -0.710 -4.859 1.690 1.00 0.00 S ATOM 0 H CYS A 42 -0.481 -2.715 -0.824 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.763 -2.003 1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.026 -3.195 1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.078 -2.986 2.987 1.00 0.00 H new ATOM 636 N PRO A 43 -0.748 0.173 0.696 1.00 0.00 N ATOM 637 CA PRO A 43 -0.120 1.519 0.561 1.00 0.00 C ATOM 638 C PRO A 43 0.276 2.097 1.922 1.00 0.00 C ATOM 639 O PRO A 43 1.258 2.803 2.053 1.00 0.00 O ATOM 640 CB PRO A 43 -1.220 2.370 -0.080 1.00 0.00 C ATOM 641 CG PRO A 43 -2.497 1.684 0.274 1.00 0.00 C ATOM 642 CD PRO A 43 -2.174 0.194 0.332 1.00 0.00 C ATOM 0 HA PRO A 43 0.799 1.487 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.202 3.391 0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.092 2.431 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.877 2.038 1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.268 1.887 -0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.786 -0.322 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.352 -0.294 -0.626 1.00 0.00 H new ATOM 650 N VAL A 44 -0.493 1.806 2.932 1.00 0.00 N ATOM 651 CA VAL A 44 -0.178 2.333 4.286 1.00 0.00 C ATOM 652 C VAL A 44 0.945 1.504 4.925 1.00 0.00 C ATOM 653 O VAL A 44 1.838 2.033 5.554 1.00 0.00 O ATOM 654 CB VAL A 44 -1.431 2.250 5.154 1.00 0.00 C ATOM 655 CG1 VAL A 44 -1.090 2.689 6.573 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.511 3.173 4.586 1.00 0.00 C ATOM 0 H VAL A 44 -1.329 1.224 2.877 1.00 0.00 H new ATOM 0 HA VAL A 44 0.151 3.369 4.205 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.799 1.224 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.982 2.631 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.320 2.035 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.724 3.716 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.405 3.112 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.144 4.199 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.754 2.866 3.569 1.00 0.00 H new ATOM 666 N THR A 45 0.896 0.208 4.778 1.00 0.00 N ATOM 667 CA THR A 45 1.948 -0.664 5.386 1.00 0.00 C ATOM 668 C THR A 45 3.321 -0.340 4.803 1.00 0.00 C ATOM 669 O THR A 45 4.320 -0.373 5.493 1.00 0.00 O ATOM 670 CB THR A 45 1.639 -2.131 5.086 1.00 0.00 C ATOM 671 OG1 THR A 45 0.317 -2.435 5.498 1.00 0.00 O ATOM 672 CG2 THR A 45 2.628 -3.019 5.837 1.00 0.00 C ATOM 0 H THR A 45 0.170 -0.289 4.261 1.00 0.00 H new ATOM 0 HA THR A 45 1.955 -0.485 6.461 1.00 0.00 H new ATOM 0 HB THR A 45 1.729 -2.310 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.110 -1.946 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.410 -4.066 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.643 -2.787 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.538 -2.839 6.908 1.00 0.00 H new ATOM 680 N CYS A 46 3.388 -0.059 3.535 1.00 0.00 N ATOM 681 CA CYS A 46 4.711 0.225 2.916 1.00 0.00 C ATOM 682 C CYS A 46 5.080 1.704 3.084 1.00 0.00 C ATOM 683 O CYS A 46 6.133 2.138 2.664 1.00 0.00 O ATOM 684 CB CYS A 46 4.666 -0.148 1.434 1.00 0.00 C ATOM 685 SG CYS A 46 4.648 -1.952 1.272 1.00 0.00 S ATOM 0 H CYS A 46 2.589 -0.013 2.902 1.00 0.00 H new ATOM 0 HA CYS A 46 5.474 -0.371 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.779 0.280 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.531 0.267 0.916 1.00 0.00 H new ATOM 690 N GLY A 47 4.238 2.478 3.718 1.00 0.00 N ATOM 691 CA GLY A 47 4.567 3.917 3.938 1.00 0.00 C ATOM 692 C GLY A 47 4.368 4.721 2.651 1.00 0.00 C ATOM 693 O GLY A 47 5.127 5.624 2.353 1.00 0.00 O ATOM 0 H GLY A 47 3.338 2.176 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.935 4.323 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.599 4.012 4.276 1.00 0.00 H new ATOM 697 N PHE A 48 3.348 4.421 1.898 1.00 0.00 N ATOM 698 CA PHE A 48 3.094 5.196 0.653 1.00 0.00 C ATOM 699 C PHE A 48 1.853 6.053 0.870 1.00 0.00 C ATOM 700 O PHE A 48 1.565 6.961 0.113 1.00 0.00 O ATOM 701 CB PHE A 48 2.866 4.238 -0.517 1.00 0.00 C ATOM 702 CG PHE A 48 4.054 3.313 -0.672 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.319 3.682 -0.184 1.00 0.00 C ATOM 704 CD2 PHE A 48 3.889 2.082 -1.316 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.407 2.818 -0.339 1.00 0.00 C ATOM 706 CE2 PHE A 48 4.982 1.222 -1.469 1.00 0.00 C ATOM 707 CZ PHE A 48 6.239 1.589 -0.984 1.00 0.00 C ATOM 0 H PHE A 48 2.680 3.674 2.090 1.00 0.00 H new ATOM 0 HA PHE A 48 3.951 5.828 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.961 3.655 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.714 4.804 -1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.451 4.633 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.919 1.796 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.378 3.100 0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.853 0.271 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.081 0.924 -1.107 1.00 0.00 H new ATOM 717 N CYS A 49 1.134 5.780 1.922 1.00 0.00 N ATOM 718 CA CYS A 49 -0.080 6.585 2.231 1.00 0.00 C ATOM 719 C CYS A 49 -0.042 7.002 3.701 1.00 0.00 C ATOM 720 O CYS A 49 0.699 6.454 4.494 1.00 0.00 O ATOM 721 CB CYS A 49 -1.342 5.762 1.968 1.00 0.00 C ATOM 722 SG CYS A 49 -1.919 6.066 0.280 1.00 0.00 S ATOM 0 H CYS A 49 1.336 5.031 2.584 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.096 7.468 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.133 4.701 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.120 6.030 2.683 1.00 0.00 H new ATOM 727 N GLU A 50 -0.829 7.971 4.071 1.00 0.00 N ATOM 728 CA GLU A 50 -0.830 8.429 5.487 1.00 0.00 C ATOM 729 C GLU A 50 -2.074 7.891 6.205 1.00 0.00 C ATOM 730 O GLU A 50 -3.185 8.269 5.893 1.00 0.00 O ATOM 731 CB GLU A 50 -0.843 9.956 5.518 1.00 0.00 C ATOM 732 CG GLU A 50 0.407 10.483 4.812 1.00 0.00 C ATOM 733 CD GLU A 50 0.691 11.916 5.266 1.00 0.00 C ATOM 734 OE1 GLU A 50 1.068 12.089 6.414 1.00 0.00 O ATOM 735 OE2 GLU A 50 0.534 12.815 4.458 1.00 0.00 O ATOM 0 H GLU A 50 -1.472 8.466 3.454 1.00 0.00 H new ATOM 0 HA GLU A 50 0.062 8.057 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.740 10.334 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.870 10.311 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.261 9.844 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.265 10.455 3.732 1.00 0.00 H new ATOM 742 N PRO A 51 -1.894 7.015 7.165 1.00 0.00 N ATOM 743 CA PRO A 51 -3.027 6.429 7.929 1.00 0.00 C ATOM 744 C PRO A 51 -4.070 7.479 8.318 1.00 0.00 C ATOM 745 O PRO A 51 -5.149 7.088 8.733 1.00 0.00 O ATOM 746 CB PRO A 51 -2.364 5.853 9.178 1.00 0.00 C ATOM 747 CG PRO A 51 -0.957 5.550 8.782 1.00 0.00 C ATOM 748 CD PRO A 51 -0.597 6.494 7.628 1.00 0.00 C ATOM 749 OXT PRO A 51 -3.768 8.655 8.201 1.00 0.00 O ATOM 0 HA PRO A 51 -3.569 5.688 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.394 6.566 10.002 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.879 4.953 9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.280 5.696 9.624 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.860 4.509 8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.058 7.298 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.073 5.966 6.831 1.00 0.00 H new TER 757 PRO A 51