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 23 SER OG : rot -28:sc= -0.499 USER MOD Set 1.2: A 38 MET CE :methyl -131:sc= -0.478 (180deg=-5.05!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -119:sc= -5.44! (180deg=-0.525) USER MOD Set 2.2: A 17 ASN : amide:sc= -5! K(o=-10!,f=0.39) USER MOD Single : A 1 ASN : amide:sc= -5.16! C(o=-5.2!,f=-6.7!) USER MOD Single : A 1 ASN N :NH3+ -110:sc= 0.122 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -46:sc= 0.0536 USER MOD Single : A 9 MET CE :methyl -154:sc= -0.994 (180deg=-2.77!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 26 ASN : amide:sc= -5.42! K(o=-5.4!,f=-2.3) USER MOD Single : A 31 ASN : amide:sc= -3.88! C(o=-3.9!,f=-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 -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -8.990 25.312 -4.416 1.00 0.00 N ATOM 2 CA ASN A 1 -8.210 25.645 -5.644 1.00 0.00 C ATOM 3 C ASN A 1 -7.529 24.383 -6.176 1.00 0.00 C ATOM 4 O ASN A 1 -7.654 23.314 -5.610 1.00 0.00 O ATOM 5 CB ASN A 1 -7.150 26.697 -5.308 1.00 0.00 C ATOM 6 CG ASN A 1 -6.419 27.113 -6.589 1.00 0.00 C ATOM 7 OD1 ASN A 1 -5.272 26.768 -6.785 1.00 0.00 O ATOM 8 ND2 ASN A 1 -7.043 27.840 -7.476 1.00 0.00 N ATOM 0 H1 ASN A 1 -10.007 25.374 -4.623 1.00 0.00 H new ATOM 0 H2 ASN A 1 -8.758 24.346 -4.109 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.749 25.983 -3.659 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.883 26.040 -6.404 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -7.618 27.566 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -6.440 26.295 -4.585 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -6.567 28.118 -8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.007 28.130 -7.311 1.00 0.00 H new ATOM 14 N ASP A 2 -6.813 24.498 -7.261 1.00 0.00 N ATOM 15 CA ASP A 2 -6.123 23.310 -7.838 1.00 0.00 C ATOM 16 C ASP A 2 -7.148 22.207 -8.115 1.00 0.00 C ATOM 17 O ASP A 2 -7.886 21.794 -7.240 1.00 0.00 O ATOM 18 CB ASP A 2 -5.077 22.789 -6.851 1.00 0.00 C ATOM 19 CG ASP A 2 -3.999 23.850 -6.632 1.00 0.00 C ATOM 20 OD1 ASP A 2 -4.071 24.884 -7.276 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.115 23.611 -5.825 1.00 0.00 O ATOM 0 H ASP A 2 -6.676 25.368 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.633 23.598 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.552 22.538 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.627 21.873 -7.234 1.00 0.00 H new ATOM 26 N ILE A 3 -7.201 21.724 -9.325 1.00 0.00 N ATOM 27 CA ILE A 3 -8.174 20.645 -9.654 1.00 0.00 C ATOM 28 C ILE A 3 -7.640 19.316 -9.122 1.00 0.00 C ATOM 29 O ILE A 3 -8.294 18.294 -9.194 1.00 0.00 O ATOM 30 CB ILE A 3 -8.360 20.563 -11.170 1.00 0.00 C ATOM 31 CG1 ILE A 3 -8.718 21.949 -11.714 1.00 0.00 C ATOM 32 CG2 ILE A 3 -9.496 19.588 -11.486 1.00 0.00 C ATOM 33 CD1 ILE A 3 -9.903 22.511 -10.926 1.00 0.00 C ATOM 0 H ILE A 3 -6.613 22.030 -10.100 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.137 20.863 -9.193 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.437 20.216 -11.634 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.861 22.618 -11.631 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.969 21.883 -12.773 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.633 19.526 -12.566 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.248 18.601 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.418 19.941 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.161 23.498 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.759 21.845 -11.032 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.634 22.591 -9.873 1.00 0.00 H new ATOM 45 N ARG A 4 -6.457 19.328 -8.573 1.00 0.00 N ATOM 46 CA ARG A 4 -5.878 18.075 -8.021 1.00 0.00 C ATOM 47 C ARG A 4 -6.577 17.749 -6.701 1.00 0.00 C ATOM 48 O ARG A 4 -6.288 16.758 -6.061 1.00 0.00 O ATOM 49 CB ARG A 4 -4.382 18.273 -7.765 1.00 0.00 C ATOM 50 CG ARG A 4 -3.663 18.542 -9.088 1.00 0.00 C ATOM 51 CD ARG A 4 -2.163 18.677 -8.827 1.00 0.00 C ATOM 52 NE ARG A 4 -1.472 19.085 -10.081 1.00 0.00 N ATOM 53 CZ ARG A 4 -0.215 18.783 -10.256 1.00 0.00 C ATOM 54 NH1 ARG A 4 0.432 18.147 -9.320 1.00 0.00 N ATOM 55 NH2 ARG A 4 0.397 19.119 -11.360 1.00 0.00 N ATOM 0 H ARG A 4 -5.866 20.155 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.019 17.259 -8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.228 19.107 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.965 17.387 -7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.850 17.729 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.048 19.453 -9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.985 19.415 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.759 17.730 -8.469 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.980 19.599 -10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.045 17.888 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.415 17.908 -9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.108 19.620 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.380 18.880 -11.491 1.00 0.00 H new ATOM 69 N THR A 5 -7.497 18.579 -6.291 1.00 0.00 N ATOM 70 CA THR A 5 -8.217 18.320 -5.015 1.00 0.00 C ATOM 71 C THR A 5 -9.397 17.386 -5.281 1.00 0.00 C ATOM 72 O THR A 5 -10.084 16.963 -4.372 1.00 0.00 O ATOM 73 CB THR A 5 -8.733 19.645 -4.445 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.056 19.471 -3.074 1.00 0.00 O ATOM 75 CG2 THR A 5 -9.980 20.086 -5.214 1.00 0.00 C ATOM 0 H THR A 5 -7.780 19.425 -6.786 1.00 0.00 H new ATOM 0 HA THR A 5 -7.539 17.856 -4.299 1.00 0.00 H new ATOM 0 HB THR A 5 -7.962 20.409 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.578 18.649 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.345 21.029 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.730 20.218 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.755 19.325 -5.118 1.00 0.00 H new ATOM 83 N ALA A 6 -9.634 17.058 -6.523 1.00 0.00 N ATOM 84 CA ALA A 6 -10.768 16.148 -6.851 1.00 0.00 C ATOM 85 C ALA A 6 -10.361 14.702 -6.557 1.00 0.00 C ATOM 86 O ALA A 6 -11.166 13.795 -6.621 1.00 0.00 O ATOM 87 CB ALA A 6 -11.126 16.289 -8.332 1.00 0.00 C ATOM 0 H ALA A 6 -9.091 17.381 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.634 16.412 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.955 15.623 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.416 17.319 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.262 16.025 -8.942 1.00 0.00 H new ATOM 93 N ALA A 7 -9.116 14.482 -6.231 1.00 0.00 N ATOM 94 CA ALA A 7 -8.661 13.096 -5.928 1.00 0.00 C ATOM 95 C ALA A 7 -9.368 12.591 -4.667 1.00 0.00 C ATOM 96 O ALA A 7 -9.628 13.343 -3.751 1.00 0.00 O ATOM 97 CB ALA A 7 -7.149 13.092 -5.694 1.00 0.00 C ATOM 0 H ALA A 7 -8.396 15.201 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.902 12.446 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.818 12.077 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.641 13.452 -6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.909 13.744 -4.854 1.00 0.00 H new ATOM 103 N ASP A 8 -9.670 11.323 -4.612 1.00 0.00 N ATOM 104 CA ASP A 8 -10.345 10.760 -3.409 1.00 0.00 C ATOM 105 C ASP A 8 -9.365 9.822 -2.702 1.00 0.00 C ATOM 106 O ASP A 8 -9.731 9.052 -1.836 1.00 0.00 O ATOM 107 CB ASP A 8 -11.594 9.985 -3.838 1.00 0.00 C ATOM 108 CG ASP A 8 -12.630 10.963 -4.398 1.00 0.00 C ATOM 109 OD1 ASP A 8 -12.425 12.156 -4.259 1.00 0.00 O ATOM 110 OD2 ASP A 8 -13.612 10.500 -4.955 1.00 0.00 O ATOM 0 H ASP A 8 -9.477 10.649 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.645 11.561 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.334 9.242 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.010 9.444 -2.988 1.00 0.00 H new ATOM 115 N MET A 9 -8.117 9.881 -3.084 1.00 0.00 N ATOM 116 CA MET A 9 -7.089 8.995 -2.469 1.00 0.00 C ATOM 117 C MET A 9 -6.550 9.616 -1.183 1.00 0.00 C ATOM 118 O MET A 9 -5.480 9.272 -0.723 1.00 0.00 O ATOM 119 CB MET A 9 -5.936 8.795 -3.459 1.00 0.00 C ATOM 120 CG MET A 9 -6.419 7.978 -4.660 1.00 0.00 C ATOM 121 SD MET A 9 -7.302 6.510 -4.076 1.00 0.00 S ATOM 122 CE MET A 9 -6.057 5.958 -2.882 1.00 0.00 C ATOM 0 H MET A 9 -7.764 10.512 -3.803 1.00 0.00 H new ATOM 0 HA MET A 9 -7.547 8.035 -2.231 1.00 0.00 H new ATOM 0 HB2 MET A 9 -5.560 9.762 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.108 8.283 -2.969 1.00 0.00 H new ATOM 0 HG2 MET A 9 -7.074 8.584 -5.286 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.571 7.683 -5.278 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.143 4.881 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.062 6.196 -3.258 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.216 6.464 -1.930 1.00 0.00 H new ATOM 132 N GLU A 10 -7.273 10.519 -0.596 1.00 0.00 N ATOM 133 CA GLU A 10 -6.786 11.142 0.661 1.00 0.00 C ATOM 134 C GLU A 10 -6.770 10.094 1.773 1.00 0.00 C ATOM 135 O GLU A 10 -5.960 10.149 2.677 1.00 0.00 O ATOM 136 CB GLU A 10 -7.714 12.295 1.051 1.00 0.00 C ATOM 137 CG GLU A 10 -7.141 13.014 2.274 1.00 0.00 C ATOM 138 CD GLU A 10 -8.118 14.097 2.735 1.00 0.00 C ATOM 139 OE1 GLU A 10 -9.157 14.236 2.109 1.00 0.00 O ATOM 140 OE2 GLU A 10 -7.811 14.770 3.706 1.00 0.00 O ATOM 0 H GLU A 10 -8.177 10.853 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.777 11.527 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.816 12.992 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.711 11.915 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.966 12.301 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.177 13.460 2.028 1.00 0.00 H new ATOM 147 N HIS A 11 -7.661 9.143 1.719 1.00 0.00 N ATOM 148 CA HIS A 11 -7.699 8.102 2.780 1.00 0.00 C ATOM 149 C HIS A 11 -7.103 6.799 2.243 1.00 0.00 C ATOM 150 O HIS A 11 -7.640 6.179 1.346 1.00 0.00 O ATOM 151 CB HIS A 11 -9.153 7.870 3.200 1.00 0.00 C ATOM 152 CG HIS A 11 -9.739 9.155 3.726 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.418 10.050 2.909 1.00 0.00 N ATOM 154 CD2 HIS A 11 -9.760 9.707 4.985 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.815 11.083 3.678 1.00 0.00 C ATOM 156 NE2 HIS A 11 -10.438 10.921 4.949 1.00 0.00 N ATOM 0 H HIS A 11 -8.363 9.043 0.986 1.00 0.00 H new ATOM 0 HA HIS A 11 -7.117 8.432 3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.735 7.514 2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.202 7.096 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -9.318 9.266 5.866 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -11.369 11.935 3.312 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -10.611 11.555 5.729 1.00 0.00 H new ATOM 165 N CYS A 12 -5.998 6.377 2.795 1.00 0.00 N ATOM 166 CA CYS A 12 -5.361 5.113 2.330 1.00 0.00 C ATOM 167 C CYS A 12 -5.438 4.068 3.446 1.00 0.00 C ATOM 168 O CYS A 12 -5.228 4.368 4.606 1.00 0.00 O ATOM 169 CB CYS A 12 -3.896 5.380 1.989 1.00 0.00 C ATOM 170 SG CYS A 12 -3.790 6.647 0.704 1.00 0.00 S ATOM 0 H CYS A 12 -5.508 6.855 3.551 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.881 4.745 1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.359 5.706 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.419 4.461 1.648 1.00 0.00 H new ATOM 175 N ALA A 13 -5.748 2.845 3.107 1.00 0.00 N ATOM 176 CA ALA A 13 -5.847 1.782 4.149 1.00 0.00 C ATOM 177 C ALA A 13 -5.169 0.502 3.656 1.00 0.00 C ATOM 178 O ALA A 13 -5.167 0.210 2.476 1.00 0.00 O ATOM 179 CB ALA A 13 -7.321 1.492 4.428 1.00 0.00 C ATOM 0 H ALA A 13 -5.937 2.536 2.153 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.353 2.123 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.401 0.716 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.810 2.400 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.805 1.154 3.512 1.00 0.00 H new ATOM 185 N ASP A 14 -4.615 -0.278 4.545 1.00 0.00 N ATOM 186 CA ASP A 14 -3.963 -1.545 4.107 1.00 0.00 C ATOM 187 C ASP A 14 -5.045 -2.578 3.790 1.00 0.00 C ATOM 188 O ASP A 14 -6.060 -2.654 4.455 1.00 0.00 O ATOM 189 CB ASP A 14 -3.040 -2.079 5.206 1.00 0.00 C ATOM 190 CG ASP A 14 -3.842 -2.372 6.474 1.00 0.00 C ATOM 191 OD1 ASP A 14 -5.059 -2.358 6.403 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.226 -2.608 7.499 1.00 0.00 O ATOM 0 H ASP A 14 -4.586 -0.095 5.548 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.363 -1.352 3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.543 -2.987 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.259 -1.350 5.421 1.00 0.00 H new ATOM 197 N GLU A 15 -4.849 -3.371 2.770 1.00 0.00 N ATOM 198 CA GLU A 15 -5.885 -4.384 2.418 1.00 0.00 C ATOM 199 C GLU A 15 -6.045 -5.380 3.563 1.00 0.00 C ATOM 200 O GLU A 15 -5.082 -5.861 4.127 1.00 0.00 O ATOM 201 CB GLU A 15 -5.467 -5.150 1.156 1.00 0.00 C ATOM 202 CG GLU A 15 -6.381 -4.778 -0.021 1.00 0.00 C ATOM 203 CD GLU A 15 -6.812 -6.052 -0.753 1.00 0.00 C ATOM 204 OE1 GLU A 15 -6.069 -7.020 -0.706 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.879 -6.038 -1.345 1.00 0.00 O ATOM 0 H GLU A 15 -4.024 -3.362 2.170 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.828 -3.867 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.431 -4.918 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.518 -6.223 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.257 -4.239 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.857 -4.111 -0.706 1.00 0.00 H new ATOM 212 N LYS A 16 -7.258 -5.709 3.896 1.00 0.00 N ATOM 213 CA LYS A 16 -7.485 -6.691 4.987 1.00 0.00 C ATOM 214 C LYS A 16 -7.440 -8.101 4.398 1.00 0.00 C ATOM 215 O LYS A 16 -7.323 -9.080 5.109 1.00 0.00 O ATOM 216 CB LYS A 16 -8.853 -6.444 5.612 1.00 0.00 C ATOM 217 CG LYS A 16 -9.940 -6.796 4.601 1.00 0.00 C ATOM 218 CD LYS A 16 -11.294 -6.377 5.166 1.00 0.00 C ATOM 219 CE LYS A 16 -12.417 -7.011 4.347 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.114 -6.890 2.893 1.00 0.00 N ATOM 0 H LYS A 16 -8.103 -5.340 3.460 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.715 -6.584 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.969 -7.047 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.945 -5.401 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.753 -6.289 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.932 -7.867 4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.374 -6.685 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.386 -5.291 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.529 -8.061 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.364 -6.521 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.859 -6.332 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.197 -6.416 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.075 -7.838 2.467 1.00 0.00 H new ATOM 234 N ASN A 17 -7.541 -8.207 3.101 1.00 0.00 N ATOM 235 CA ASN A 17 -7.513 -9.550 2.456 1.00 0.00 C ATOM 236 C ASN A 17 -6.082 -9.893 2.041 1.00 0.00 C ATOM 237 O ASN A 17 -5.764 -11.032 1.761 1.00 0.00 O ATOM 238 CB ASN A 17 -8.412 -9.529 1.221 1.00 0.00 C ATOM 239 CG ASN A 17 -9.828 -9.137 1.644 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.436 -9.804 2.459 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.376 -8.068 1.134 1.00 0.00 N ATOM 0 H ASN A 17 -7.642 -7.420 2.460 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.871 -10.301 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.028 -8.820 0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.419 -10.509 0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.315 -7.791 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.865 -7.509 0.451 1.00 0.00 H new ATOM 248 N PHE A 18 -5.214 -8.919 2.003 1.00 0.00 N ATOM 249 CA PHE A 18 -3.803 -9.194 1.606 1.00 0.00 C ATOM 250 C PHE A 18 -2.915 -9.158 2.851 1.00 0.00 C ATOM 251 O PHE A 18 -2.959 -8.226 3.628 1.00 0.00 O ATOM 252 CB PHE A 18 -3.336 -8.126 0.612 1.00 0.00 C ATOM 253 CG PHE A 18 -1.958 -8.472 0.094 1.00 0.00 C ATOM 254 CD1 PHE A 18 -1.820 -9.288 -1.037 1.00 0.00 C ATOM 255 CD2 PHE A 18 -0.822 -7.973 0.738 1.00 0.00 C ATOM 256 CE1 PHE A 18 -0.545 -9.603 -1.522 1.00 0.00 C ATOM 257 CE2 PHE A 18 0.454 -8.287 0.251 1.00 0.00 C ATOM 258 CZ PHE A 18 0.592 -9.103 -0.877 1.00 0.00 C ATOM 0 H PHE A 18 -5.420 -7.946 2.229 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.737 -10.176 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.039 -8.057 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.317 -7.150 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.697 -9.674 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.928 -7.346 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.439 -10.232 -2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.331 -7.899 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.576 -9.347 -1.250 1.00 0.00 H new ATOM 268 N ASP A 19 -2.111 -10.165 3.051 1.00 0.00 N ATOM 269 CA ASP A 19 -1.226 -10.180 4.250 1.00 0.00 C ATOM 270 C ASP A 19 -0.072 -9.198 4.031 1.00 0.00 C ATOM 271 O ASP A 19 0.990 -9.560 3.563 1.00 0.00 O ATOM 272 CB ASP A 19 -0.672 -11.591 4.465 1.00 0.00 C ATOM 273 CG ASP A 19 -1.832 -12.559 4.702 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.936 -12.084 4.914 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.597 -13.757 4.666 1.00 0.00 O ATOM 0 H ASP A 19 -2.028 -10.976 2.438 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.796 -9.885 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.094 -11.904 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.006 -11.602 5.319 1.00 0.00 H new ATOM 280 N CYS A 20 -0.280 -7.951 4.363 1.00 0.00 N ATOM 281 CA CYS A 20 0.791 -6.934 4.175 1.00 0.00 C ATOM 282 C CYS A 20 1.903 -7.183 5.187 1.00 0.00 C ATOM 283 O CYS A 20 3.072 -7.001 4.907 1.00 0.00 O ATOM 284 CB CYS A 20 0.205 -5.543 4.403 1.00 0.00 C ATOM 285 SG CYS A 20 -1.331 -5.391 3.461 1.00 0.00 S ATOM 0 H CYS A 20 -1.150 -7.594 4.758 1.00 0.00 H new ATOM 0 HA CYS A 20 1.193 -7.004 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.013 -5.384 5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.916 -4.779 4.090 1.00 0.00 H new ATOM 290 N ARG A 21 1.544 -7.601 6.364 1.00 0.00 N ATOM 291 CA ARG A 21 2.567 -7.867 7.401 1.00 0.00 C ATOM 292 C ARG A 21 3.539 -8.916 6.865 1.00 0.00 C ATOM 293 O ARG A 21 4.739 -8.798 6.994 1.00 0.00 O ATOM 294 CB ARG A 21 1.869 -8.403 8.654 1.00 0.00 C ATOM 295 CG ARG A 21 2.748 -8.177 9.886 1.00 0.00 C ATOM 296 CD ARG A 21 4.172 -8.652 9.603 1.00 0.00 C ATOM 297 NE ARG A 21 4.950 -8.657 10.870 1.00 0.00 N ATOM 298 CZ ARG A 21 5.489 -7.553 11.309 1.00 0.00 C ATOM 299 NH1 ARG A 21 5.382 -6.450 10.616 1.00 0.00 N ATOM 300 NH2 ARG A 21 6.147 -7.555 12.432 1.00 0.00 N ATOM 0 H ARG A 21 0.580 -7.770 6.652 1.00 0.00 H new ATOM 0 HA ARG A 21 3.110 -6.955 7.649 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.909 -7.903 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.661 -9.467 8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.754 -7.120 10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.338 -8.717 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.155 -9.652 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.648 -7.997 8.873 1.00 0.00 H new ATOM 0 HE ARG A 21 5.062 -9.524 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.876 -6.451 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.804 -5.588 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.240 -8.419 12.967 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.569 -6.693 12.777 1.00 0.00 H new ATOM 314 N ARG A 22 3.023 -9.938 6.248 1.00 0.00 N ATOM 315 CA ARG A 22 3.905 -10.990 5.689 1.00 0.00 C ATOM 316 C ARG A 22 4.704 -10.420 4.518 1.00 0.00 C ATOM 317 O ARG A 22 5.900 -10.597 4.418 1.00 0.00 O ATOM 318 CB ARG A 22 3.042 -12.146 5.206 1.00 0.00 C ATOM 319 CG ARG A 22 3.743 -12.851 4.052 1.00 0.00 C ATOM 320 CD ARG A 22 3.101 -14.217 3.826 1.00 0.00 C ATOM 321 NE ARG A 22 3.737 -14.862 2.647 1.00 0.00 N ATOM 322 CZ ARG A 22 4.980 -15.252 2.702 1.00 0.00 C ATOM 323 NH1 ARG A 22 5.661 -15.119 3.812 1.00 0.00 N ATOM 324 NH2 ARG A 22 5.544 -15.780 1.652 1.00 0.00 N ATOM 0 H ARG A 22 2.024 -10.089 6.107 1.00 0.00 H new ATOM 0 HA ARG A 22 4.598 -11.340 6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.864 -12.847 6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.068 -11.778 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.671 -12.249 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.804 -12.968 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.226 -14.842 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.029 -14.107 3.662 1.00 0.00 H new ATOM 0 HE ARG A 22 3.199 -15.000 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.219 -14.710 4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.633 -15.425 3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.013 -15.888 0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.516 -16.085 1.695 1.00 0.00 H new ATOM 338 N SER A 23 4.046 -9.731 3.632 1.00 0.00 N ATOM 339 CA SER A 23 4.759 -9.145 2.469 1.00 0.00 C ATOM 340 C SER A 23 5.742 -8.078 2.962 1.00 0.00 C ATOM 341 O SER A 23 6.815 -7.912 2.419 1.00 0.00 O ATOM 342 CB SER A 23 3.734 -8.513 1.528 1.00 0.00 C ATOM 343 OG SER A 23 3.153 -7.381 2.161 1.00 0.00 O ATOM 0 H SER A 23 3.043 -9.548 3.664 1.00 0.00 H new ATOM 0 HA SER A 23 5.311 -9.921 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.214 -8.217 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.961 -9.238 1.273 1.00 0.00 H new ATOM 0 HG SER A 23 3.171 -7.505 3.133 1.00 0.00 H new ATOM 349 N LEU A 24 5.383 -7.353 3.990 1.00 0.00 N ATOM 350 CA LEU A 24 6.299 -6.296 4.514 1.00 0.00 C ATOM 351 C LEU A 24 7.599 -6.927 5.019 1.00 0.00 C ATOM 352 O LEU A 24 8.680 -6.467 4.712 1.00 0.00 O ATOM 353 CB LEU A 24 5.619 -5.561 5.673 1.00 0.00 C ATOM 354 CG LEU A 24 6.588 -4.527 6.257 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.746 -3.354 5.289 1.00 0.00 C ATOM 356 CD2 LEU A 24 6.044 -4.015 7.590 1.00 0.00 C ATOM 0 H LEU A 24 4.498 -7.447 4.488 1.00 0.00 H new ATOM 0 HA LEU A 24 6.526 -5.596 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.711 -5.069 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.320 -6.272 6.444 1.00 0.00 H new ATOM 0 HG LEU A 24 7.559 -4.996 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.436 -2.624 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.138 -3.717 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.776 -2.884 5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.733 -3.280 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.070 -3.551 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.940 -4.848 8.285 1.00 0.00 H new ATOM 368 N ARG A 25 7.506 -7.974 5.792 1.00 0.00 N ATOM 369 CA ARG A 25 8.742 -8.621 6.313 1.00 0.00 C ATOM 370 C ARG A 25 9.499 -9.261 5.151 1.00 0.00 C ATOM 371 O ARG A 25 10.697 -9.443 5.198 1.00 0.00 O ATOM 372 CB ARG A 25 8.373 -9.697 7.340 1.00 0.00 C ATOM 373 CG ARG A 25 7.343 -10.653 6.735 1.00 0.00 C ATOM 374 CD ARG A 25 7.032 -11.778 7.730 1.00 0.00 C ATOM 375 NE ARG A 25 6.137 -11.262 8.807 1.00 0.00 N ATOM 376 CZ ARG A 25 6.142 -11.823 9.989 1.00 0.00 C ATOM 377 NH1 ARG A 25 6.898 -12.862 10.218 1.00 0.00 N ATOM 378 NH2 ARG A 25 5.377 -11.355 10.938 1.00 0.00 N ATOM 0 H ARG A 25 6.630 -8.408 6.084 1.00 0.00 H new ATOM 0 HA ARG A 25 9.370 -7.871 6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.264 -10.249 7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.968 -9.232 8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.430 -10.110 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.725 -11.073 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.554 -12.611 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.957 -12.159 8.163 1.00 0.00 H new ATOM 0 HE ARG A 25 5.521 -10.471 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.487 -13.238 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.900 -13.298 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.775 -10.552 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.381 -11.793 11.859 1.00 0.00 H new ATOM 392 N ASN A 26 8.801 -9.601 4.107 1.00 0.00 N ATOM 393 CA ASN A 26 9.466 -10.231 2.935 1.00 0.00 C ATOM 394 C ASN A 26 10.194 -9.161 2.124 1.00 0.00 C ATOM 395 O ASN A 26 10.845 -9.448 1.138 1.00 0.00 O ATOM 396 CB ASN A 26 8.402 -10.889 2.062 1.00 0.00 C ATOM 397 CG ASN A 26 7.748 -12.038 2.829 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.382 -12.678 3.645 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.494 -12.323 2.610 1.00 0.00 N ATOM 0 H ASN A 26 7.794 -9.469 4.014 1.00 0.00 H new ATOM 0 HA ASN A 26 10.185 -10.977 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.649 -10.156 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.852 -11.262 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.046 -13.082 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.961 -11.787 1.925 1.00 0.00 H new ATOM 406 N GLY A 27 10.092 -7.928 2.533 1.00 0.00 N ATOM 407 CA GLY A 27 10.778 -6.834 1.789 1.00 0.00 C ATOM 408 C GLY A 27 9.938 -6.438 0.572 1.00 0.00 C ATOM 409 O GLY A 27 10.443 -5.899 -0.392 1.00 0.00 O ATOM 0 H GLY A 27 9.562 -7.629 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.922 -5.972 2.440 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.767 -7.162 1.470 1.00 0.00 H new ATOM 413 N ASP A 28 8.661 -6.704 0.608 1.00 0.00 N ATOM 414 CA ASP A 28 7.791 -6.347 -0.546 1.00 0.00 C ATOM 415 C ASP A 28 7.830 -4.835 -0.779 1.00 0.00 C ATOM 416 O ASP A 28 7.841 -4.373 -1.904 1.00 0.00 O ATOM 417 CB ASP A 28 6.357 -6.788 -0.251 1.00 0.00 C ATOM 418 CG ASP A 28 5.508 -6.629 -1.510 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.544 -5.558 -2.088 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.834 -7.579 -1.872 1.00 0.00 O ATOM 0 H ASP A 28 8.183 -7.154 1.389 1.00 0.00 H new ATOM 0 HA ASP A 28 8.151 -6.852 -1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.345 -7.826 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.940 -6.190 0.560 1.00 0.00 H new ATOM 425 N CYS A 29 7.858 -4.058 0.265 1.00 0.00 N ATOM 426 CA CYS A 29 7.910 -2.582 0.083 1.00 0.00 C ATOM 427 C CYS A 29 9.258 -2.224 -0.543 1.00 0.00 C ATOM 428 O CYS A 29 9.430 -1.169 -1.120 1.00 0.00 O ATOM 429 CB CYS A 29 7.786 -1.891 1.443 1.00 0.00 C ATOM 430 SG CYS A 29 6.384 -2.588 2.346 1.00 0.00 S ATOM 0 H CYS A 29 7.847 -4.379 1.233 1.00 0.00 H new ATOM 0 HA CYS A 29 7.092 -2.255 -0.559 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.704 -2.024 2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.648 -0.818 1.307 1.00 0.00 H new ATOM 435 N ASP A 30 10.215 -3.102 -0.421 1.00 0.00 N ATOM 436 CA ASP A 30 11.564 -2.831 -0.989 1.00 0.00 C ATOM 437 C ASP A 30 11.680 -3.445 -2.385 1.00 0.00 C ATOM 438 O ASP A 30 12.686 -3.303 -3.051 1.00 0.00 O ATOM 439 CB ASP A 30 12.624 -3.453 -0.079 1.00 0.00 C ATOM 440 CG ASP A 30 12.646 -2.712 1.258 1.00 0.00 C ATOM 441 OD1 ASP A 30 11.915 -1.745 1.389 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.387 -3.130 2.129 1.00 0.00 O ATOM 0 H ASP A 30 10.119 -4.001 0.051 1.00 0.00 H new ATOM 0 HA ASP A 30 11.713 -1.754 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.406 -4.509 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.604 -3.398 -0.554 1.00 0.00 H new ATOM 447 N ASN A 31 10.666 -4.126 -2.837 1.00 0.00 N ATOM 448 CA ASN A 31 10.732 -4.742 -4.189 1.00 0.00 C ATOM 449 C ASN A 31 10.009 -3.848 -5.185 1.00 0.00 C ATOM 450 O ASN A 31 8.815 -3.653 -5.107 1.00 0.00 O ATOM 451 CB ASN A 31 10.053 -6.105 -4.151 1.00 0.00 C ATOM 452 CG ASN A 31 10.365 -6.877 -5.432 1.00 0.00 C ATOM 453 OD1 ASN A 31 11.013 -6.367 -6.327 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.925 -8.097 -5.560 1.00 0.00 N ATOM 0 H ASN A 31 9.795 -4.282 -2.329 1.00 0.00 H new ATOM 0 HA ASN A 31 11.773 -4.858 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.397 -6.668 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.975 -5.981 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.124 -8.624 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.382 -8.525 -4.810 1.00 0.00 H new ATOM 461 N ASP A 32 10.725 -3.301 -6.121 1.00 0.00 N ATOM 462 CA ASP A 32 10.079 -2.419 -7.125 1.00 0.00 C ATOM 463 C ASP A 32 8.990 -3.199 -7.854 1.00 0.00 C ATOM 464 O ASP A 32 7.976 -2.657 -8.248 1.00 0.00 O ATOM 465 CB ASP A 32 11.127 -1.944 -8.128 1.00 0.00 C ATOM 466 CG ASP A 32 10.493 -0.924 -9.072 1.00 0.00 C ATOM 467 OD1 ASP A 32 9.445 -0.401 -8.728 1.00 0.00 O ATOM 468 OD2 ASP A 32 11.062 -0.687 -10.124 1.00 0.00 O ATOM 0 H ASP A 32 11.731 -3.426 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 32 9.636 -1.556 -6.627 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.972 -1.497 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.515 -2.790 -8.695 1.00 0.00 H new ATOM 473 N ASP A 33 9.194 -4.471 -8.039 1.00 0.00 N ATOM 474 CA ASP A 33 8.177 -5.297 -8.743 1.00 0.00 C ATOM 475 C ASP A 33 6.905 -5.381 -7.903 1.00 0.00 C ATOM 476 O ASP A 33 5.832 -5.630 -8.412 1.00 0.00 O ATOM 477 CB ASP A 33 8.733 -6.705 -8.972 1.00 0.00 C ATOM 478 CG ASP A 33 7.748 -7.513 -9.819 1.00 0.00 C ATOM 479 OD1 ASP A 33 6.870 -6.907 -10.410 1.00 0.00 O ATOM 480 OD2 ASP A 33 7.890 -8.723 -9.865 1.00 0.00 O ATOM 0 H ASP A 33 10.025 -4.977 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 33 7.942 -4.837 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.699 -6.649 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.899 -7.202 -8.016 1.00 0.00 H new ATOM 485 N LYS A 34 7.014 -5.194 -6.614 1.00 0.00 N ATOM 486 CA LYS A 34 5.803 -5.284 -5.755 1.00 0.00 C ATOM 487 C LYS A 34 5.457 -3.901 -5.207 1.00 0.00 C ATOM 488 O LYS A 34 4.484 -3.729 -4.499 1.00 0.00 O ATOM 489 CB LYS A 34 6.082 -6.232 -4.592 1.00 0.00 C ATOM 490 CG LYS A 34 6.724 -7.511 -5.126 1.00 0.00 C ATOM 491 CD LYS A 34 6.704 -8.579 -4.032 1.00 0.00 C ATOM 492 CE LYS A 34 7.416 -9.841 -4.523 1.00 0.00 C ATOM 493 NZ LYS A 34 6.789 -11.040 -3.898 1.00 0.00 N ATOM 0 H LYS A 34 7.884 -4.984 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 34 4.966 -5.658 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.743 -5.754 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.155 -6.468 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.184 -7.864 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.749 -7.314 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.193 -8.201 -3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.675 -8.814 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.352 -9.908 -5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.475 -9.797 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.273 -11.898 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.872 -10.976 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.784 -11.084 -4.163 1.00 0.00 H new ATOM 507 N LEU A 35 6.243 -2.912 -5.525 1.00 0.00 N ATOM 508 CA LEU A 35 5.947 -1.549 -5.019 1.00 0.00 C ATOM 509 C LEU A 35 4.541 -1.139 -5.455 1.00 0.00 C ATOM 510 O LEU A 35 3.769 -0.617 -4.675 1.00 0.00 O ATOM 511 CB LEU A 35 6.980 -0.563 -5.574 1.00 0.00 C ATOM 512 CG LEU A 35 8.213 -0.540 -4.669 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.256 0.420 -5.243 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.809 -0.055 -3.278 1.00 0.00 C ATOM 0 H LEU A 35 7.074 -2.990 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 35 5.998 -1.542 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.265 -0.852 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.546 0.435 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 35 8.632 -1.544 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.133 0.434 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.546 0.088 -6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.833 1.423 -5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.685 -0.037 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.391 0.949 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.062 -0.730 -2.860 1.00 0.00 H new ATOM 526 N LEU A 36 4.187 -1.390 -6.687 1.00 0.00 N ATOM 527 CA LEU A 36 2.815 -1.036 -7.147 1.00 0.00 C ATOM 528 C LEU A 36 1.813 -1.899 -6.388 1.00 0.00 C ATOM 529 O LEU A 36 0.755 -1.449 -5.999 1.00 0.00 O ATOM 530 CB LEU A 36 2.685 -1.292 -8.652 1.00 0.00 C ATOM 531 CG LEU A 36 1.312 -0.822 -9.143 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.452 -0.217 -10.541 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.352 -2.014 -9.209 1.00 0.00 C ATOM 0 H LEU A 36 4.786 -1.823 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 36 2.620 0.019 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.473 -0.765 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.812 -2.354 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 36 0.921 -0.075 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.476 0.118 -10.892 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.135 0.632 -10.503 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.845 -0.969 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.624 -1.676 -9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.746 -2.761 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.250 -2.454 -8.217 1.00 0.00 H new ATOM 545 N GLU A 37 2.148 -3.143 -6.164 1.00 0.00 N ATOM 546 CA GLU A 37 1.217 -4.032 -5.419 1.00 0.00 C ATOM 547 C GLU A 37 0.996 -3.454 -4.024 1.00 0.00 C ATOM 548 O GLU A 37 -0.106 -3.436 -3.515 1.00 0.00 O ATOM 549 CB GLU A 37 1.829 -5.431 -5.284 1.00 0.00 C ATOM 550 CG GLU A 37 2.086 -6.030 -6.669 1.00 0.00 C ATOM 551 CD GLU A 37 2.556 -7.479 -6.517 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.869 -7.867 -5.403 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.597 -8.176 -7.517 1.00 0.00 O ATOM 0 H GLU A 37 3.021 -3.577 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 37 0.272 -4.101 -5.957 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.763 -5.375 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.157 -6.077 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.176 -5.992 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.840 -5.445 -7.196 1.00 0.00 H new ATOM 560 N MET A 38 2.044 -2.986 -3.400 1.00 0.00 N ATOM 561 CA MET A 38 1.900 -2.411 -2.034 1.00 0.00 C ATOM 562 C MET A 38 1.153 -1.080 -2.102 1.00 0.00 C ATOM 563 O MET A 38 0.241 -0.832 -1.341 1.00 0.00 O ATOM 564 CB MET A 38 3.284 -2.182 -1.439 1.00 0.00 C ATOM 565 CG MET A 38 3.955 -3.530 -1.176 1.00 0.00 C ATOM 566 SD MET A 38 3.031 -4.431 0.092 1.00 0.00 S ATOM 567 CE MET A 38 2.243 -5.619 -1.019 1.00 0.00 C ATOM 0 H MET A 38 2.991 -2.978 -3.778 1.00 0.00 H new ATOM 0 HA MET A 38 1.337 -3.105 -1.410 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.892 -1.588 -2.122 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.203 -1.617 -0.511 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.994 -4.114 -2.096 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.984 -3.378 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.174 -5.659 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.399 -5.310 -2.052 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.680 -6.606 -0.866 1.00 0.00 H new ATOM 577 N GLY A 39 1.519 -0.225 -3.015 1.00 0.00 N ATOM 578 CA GLY A 39 0.809 1.076 -3.124 1.00 0.00 C ATOM 579 C GLY A 39 -0.672 0.798 -3.356 1.00 0.00 C ATOM 580 O GLY A 39 -1.529 1.596 -3.031 1.00 0.00 O ATOM 0 H GLY A 39 2.274 -0.370 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.947 1.661 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.218 1.664 -3.946 1.00 0.00 H new ATOM 584 N TYR A 40 -0.975 -0.338 -3.920 1.00 0.00 N ATOM 585 CA TYR A 40 -2.395 -0.694 -4.181 1.00 0.00 C ATOM 586 C TYR A 40 -2.938 -1.556 -3.038 1.00 0.00 C ATOM 587 O TYR A 40 -3.956 -1.254 -2.449 1.00 0.00 O ATOM 588 CB TYR A 40 -2.483 -1.475 -5.497 1.00 0.00 C ATOM 589 CG TYR A 40 -3.887 -2.002 -5.685 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.241 -3.237 -5.130 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.831 -1.261 -6.405 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.540 -3.732 -5.296 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.132 -1.756 -6.568 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.485 -2.992 -6.013 1.00 0.00 C ATOM 595 OH TYR A 40 -7.767 -3.478 -6.171 1.00 0.00 O ATOM 0 H TYR A 40 -0.294 -1.039 -4.213 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.989 0.217 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.212 -0.830 -6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.772 -2.301 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.512 -3.808 -4.574 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.557 -0.309 -6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.812 -4.686 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.862 -1.184 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.297 -2.840 -6.693 1.00 0.00 H new ATOM 605 N TYR A 41 -2.276 -2.637 -2.731 1.00 0.00 N ATOM 606 CA TYR A 41 -2.771 -3.528 -1.645 1.00 0.00 C ATOM 607 C TYR A 41 -2.423 -2.968 -0.267 1.00 0.00 C ATOM 608 O TYR A 41 -3.255 -2.938 0.619 1.00 0.00 O ATOM 609 CB TYR A 41 -2.144 -4.913 -1.792 1.00 0.00 C ATOM 610 CG TYR A 41 -2.721 -5.602 -3.003 1.00 0.00 C ATOM 611 CD1 TYR A 41 -4.040 -6.072 -2.975 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.941 -5.778 -4.152 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.579 -6.717 -4.094 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.480 -6.422 -5.273 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.798 -6.891 -5.244 1.00 0.00 C ATOM 616 OH TYR A 41 -4.329 -7.531 -6.345 1.00 0.00 O ATOM 0 H TYR A 41 -1.415 -2.942 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.856 -3.593 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.062 -4.825 -1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.334 -5.507 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.642 -5.937 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.923 -5.417 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.596 -7.080 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.878 -6.557 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.657 -7.568 -7.057 1.00 0.00 H new ATOM 626 N CYS A 42 -1.205 -2.552 -0.058 1.00 0.00 N ATOM 627 CA CYS A 42 -0.843 -2.033 1.290 1.00 0.00 C ATOM 628 C CYS A 42 -0.017 -0.752 1.184 1.00 0.00 C ATOM 629 O CYS A 42 1.164 -0.746 1.475 1.00 0.00 O ATOM 630 CB CYS A 42 -0.039 -3.096 2.034 1.00 0.00 C ATOM 631 SG CYS A 42 -0.717 -4.727 1.660 1.00 0.00 S ATOM 0 H CYS A 42 -0.455 -2.548 -0.750 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.760 -1.803 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.009 -3.049 1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.076 -2.911 3.108 1.00 0.00 H new ATOM 636 N PRO A 43 -0.638 0.330 0.794 1.00 0.00 N ATOM 637 CA PRO A 43 0.046 1.649 0.679 1.00 0.00 C ATOM 638 C PRO A 43 0.442 2.192 2.056 1.00 0.00 C ATOM 639 O PRO A 43 1.438 2.872 2.212 1.00 0.00 O ATOM 640 CB PRO A 43 -1.006 2.551 0.025 1.00 0.00 C ATOM 641 CG PRO A 43 -2.317 1.921 0.355 1.00 0.00 C ATOM 642 CD PRO A 43 -2.061 0.418 0.425 1.00 0.00 C ATOM 0 HA PRO A 43 0.971 1.589 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.949 3.568 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.858 2.612 -1.053 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.701 2.295 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.063 2.154 -0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.699 -0.064 1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.259 -0.068 -0.530 1.00 0.00 H new ATOM 650 N VAL A 44 -0.340 1.890 3.058 1.00 0.00 N ATOM 651 CA VAL A 44 -0.024 2.374 4.430 1.00 0.00 C ATOM 652 C VAL A 44 1.082 1.510 5.040 1.00 0.00 C ATOM 653 O VAL A 44 1.999 2.003 5.666 1.00 0.00 O ATOM 654 CB VAL A 44 -1.273 2.267 5.305 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.905 2.577 6.756 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.323 3.269 4.825 1.00 0.00 C ATOM 0 H VAL A 44 -1.187 1.327 2.983 1.00 0.00 H new ATOM 0 HA VAL A 44 0.307 3.411 4.377 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.677 1.257 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.795 2.501 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.157 1.864 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.501 3.587 6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.213 3.191 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.919 4.279 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.587 3.052 3.790 1.00 0.00 H new ATOM 666 N THR A 45 0.989 0.220 4.874 1.00 0.00 N ATOM 667 CA THR A 45 2.016 -0.692 5.457 1.00 0.00 C ATOM 668 C THR A 45 3.398 -0.395 4.877 1.00 0.00 C ATOM 669 O THR A 45 4.396 -0.468 5.566 1.00 0.00 O ATOM 670 CB THR A 45 1.652 -2.140 5.137 1.00 0.00 C ATOM 671 OG1 THR A 45 0.333 -2.411 5.589 1.00 0.00 O ATOM 672 CG2 THR A 45 2.638 -3.077 5.835 1.00 0.00 C ATOM 0 H THR A 45 0.243 -0.245 4.357 1.00 0.00 H new ATOM 0 HA THR A 45 2.040 -0.535 6.535 1.00 0.00 H new ATOM 0 HB THR A 45 1.702 -2.298 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.299 -3.309 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.380 -4.111 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.649 -2.869 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.589 -2.919 6.912 1.00 0.00 H new ATOM 680 N CYS A 46 3.475 -0.088 3.613 1.00 0.00 N ATOM 681 CA CYS A 46 4.809 0.174 3.005 1.00 0.00 C ATOM 682 C CYS A 46 5.212 1.637 3.200 1.00 0.00 C ATOM 683 O CYS A 46 6.303 2.037 2.849 1.00 0.00 O ATOM 684 CB CYS A 46 4.760 -0.165 1.519 1.00 0.00 C ATOM 685 SG CYS A 46 4.763 -1.966 1.317 1.00 0.00 S ATOM 0 H CYS A 46 2.680 -0.008 2.979 1.00 0.00 H new ATOM 0 HA CYS A 46 5.554 -0.452 3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.865 0.262 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.617 0.272 1.006 1.00 0.00 H new ATOM 690 N GLY A 47 4.358 2.434 3.777 1.00 0.00 N ATOM 691 CA GLY A 47 4.713 3.862 4.017 1.00 0.00 C ATOM 692 C GLY A 47 4.571 4.692 2.736 1.00 0.00 C ATOM 693 O GLY A 47 5.317 5.624 2.513 1.00 0.00 O ATOM 0 H GLY A 47 3.428 2.159 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.069 4.274 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.737 3.928 4.384 1.00 0.00 H new ATOM 697 N PHE A 48 3.610 4.390 1.907 1.00 0.00 N ATOM 698 CA PHE A 48 3.424 5.198 0.667 1.00 0.00 C ATOM 699 C PHE A 48 2.220 6.105 0.875 1.00 0.00 C ATOM 700 O PHE A 48 1.960 7.010 0.105 1.00 0.00 O ATOM 701 CB PHE A 48 3.170 4.273 -0.523 1.00 0.00 C ATOM 702 CG PHE A 48 4.301 3.279 -0.652 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.588 3.599 -0.192 1.00 0.00 C ATOM 704 CD2 PHE A 48 4.063 2.035 -1.245 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.627 2.675 -0.325 1.00 0.00 C ATOM 706 CE2 PHE A 48 5.106 1.113 -1.378 1.00 0.00 C ATOM 707 CZ PHE A 48 6.386 1.433 -0.918 1.00 0.00 C ATOM 0 H PHE A 48 2.949 3.624 2.032 1.00 0.00 H new ATOM 0 HA PHE A 48 4.317 5.789 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.225 3.747 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.083 4.859 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.775 4.560 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.074 1.786 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.617 2.921 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.922 0.153 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.190 0.719 -1.021 1.00 0.00 H new ATOM 717 N CYS A 49 1.492 5.867 1.926 1.00 0.00 N ATOM 718 CA CYS A 49 0.302 6.704 2.220 1.00 0.00 C ATOM 719 C CYS A 49 0.003 6.647 3.722 1.00 0.00 C ATOM 720 O CYS A 49 0.641 5.923 4.463 1.00 0.00 O ATOM 721 CB CYS A 49 -0.894 6.182 1.430 1.00 0.00 C ATOM 722 SG CYS A 49 -2.022 7.551 1.067 1.00 0.00 S ATOM 0 H CYS A 49 1.672 5.122 2.599 1.00 0.00 H new ATOM 0 HA CYS A 49 0.496 7.737 1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.557 5.719 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.412 5.411 2.001 1.00 0.00 H new ATOM 727 N GLU A 50 -0.958 7.402 4.180 1.00 0.00 N ATOM 728 CA GLU A 50 -1.292 7.390 5.633 1.00 0.00 C ATOM 729 C GLU A 50 -2.658 6.738 5.830 1.00 0.00 C ATOM 730 O GLU A 50 -3.522 6.827 4.980 1.00 0.00 O ATOM 731 CB GLU A 50 -1.337 8.828 6.158 1.00 0.00 C ATOM 732 CG GLU A 50 -0.088 9.579 5.695 1.00 0.00 C ATOM 733 CD GLU A 50 -0.374 10.257 4.353 1.00 0.00 C ATOM 734 OE1 GLU A 50 -1.445 10.822 4.214 1.00 0.00 O ATOM 735 OE2 GLU A 50 0.483 10.198 3.488 1.00 0.00 O ATOM 0 H GLU A 50 -1.527 8.028 3.610 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.534 6.827 6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.233 9.331 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.391 8.828 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.199 10.323 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.750 8.889 5.596 1.00 0.00 H new ATOM 742 N PRO A 51 -2.863 6.094 6.947 1.00 0.00 N ATOM 743 CA PRO A 51 -4.155 5.430 7.249 1.00 0.00 C ATOM 744 C PRO A 51 -5.354 6.304 6.864 1.00 0.00 C ATOM 745 O PRO A 51 -5.404 7.437 7.313 1.00 0.00 O ATOM 746 CB PRO A 51 -4.111 5.217 8.761 1.00 0.00 C ATOM 747 CG PRO A 51 -2.661 5.172 9.126 1.00 0.00 C ATOM 748 CD PRO A 51 -1.888 5.924 8.039 1.00 0.00 C ATOM 749 OXT PRO A 51 -6.197 5.825 6.125 1.00 0.00 O ATOM 0 HA PRO A 51 -4.279 4.505 6.686 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.621 6.026 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.613 4.291 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.497 5.632 10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.316 4.141 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.526 6.886 8.402 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.016 5.360 7.709 1.00 0.00 H new TER 757 PRO A 51