USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.432 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -120:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 169:sc= 0.0177 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00692 USER MOD Single : A 58 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -30:sc= 1.26 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.819 11.309 13.453 1.00 25.00 N ATOM 2 CA ALA A 1 -12.517 12.004 13.354 1.00 25.00 C ATOM 3 C ALA A 1 -11.316 11.070 13.180 1.00 25.00 C ATOM 4 O ALA A 1 -10.850 10.411 14.085 1.00 25.00 O ATOM 5 CB ALA A 1 -12.351 12.873 14.611 1.00 25.00 C ATOM 0 H1 ALA A 1 -14.579 12.010 13.569 1.00 25.00 H new ATOM 0 H2 ALA A 1 -13.985 10.758 12.587 1.00 25.00 H new ATOM 0 H3 ALA A 1 -13.810 10.670 14.273 1.00 25.00 H new ATOM 0 HA ALA A 1 -12.531 12.609 12.447 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -11.397 13.399 14.566 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -13.163 13.598 14.662 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -12.374 12.239 15.497 1.00 25.00 H new ATOM 10 N TYR A 2 -10.823 11.003 11.939 1.00 25.00 N ATOM 11 CA TYR A 2 -9.672 10.175 11.593 1.00 25.00 C ATOM 12 C TYR A 2 -8.553 11.082 11.108 1.00 25.00 C ATOM 13 O TYR A 2 -8.787 12.247 10.796 1.00 25.00 O ATOM 14 CB TYR A 2 -10.050 9.165 10.512 1.00 25.00 C ATOM 15 CG TYR A 2 -9.320 7.852 10.659 1.00 25.00 C ATOM 16 CD1 TYR A 2 -8.201 7.548 9.858 1.00 25.00 C ATOM 17 CD2 TYR A 2 -9.739 6.906 11.614 1.00 25.00 C ATOM 18 CE1 TYR A 2 -7.508 6.317 10.013 1.00 25.00 C ATOM 19 CE2 TYR A 2 -9.055 5.668 11.766 1.00 25.00 C ATOM 20 CZ TYR A 2 -7.945 5.388 10.961 1.00 25.00 C ATOM 21 OH TYR A 2 -7.272 4.202 11.105 1.00 25.00 O ATOM 0 H TYR A 2 -11.212 11.521 11.151 1.00 25.00 H new ATOM 0 HA TYR A 2 -9.339 9.618 12.469 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -11.124 8.985 10.549 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -9.832 9.589 9.532 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -7.866 8.259 9.117 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -10.592 7.123 12.240 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -6.646 6.100 9.400 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -9.390 4.948 12.498 1.00 25.00 H new ATOM 0 HH TYR A 2 -7.699 3.666 11.805 1.00 25.00 H new ATOM 31 N ARG A 3 -7.339 10.552 11.056 1.00 25.00 N ATOM 32 CA ARG A 3 -6.167 11.333 10.671 1.00 25.00 C ATOM 33 C ARG A 3 -5.670 10.912 9.286 1.00 25.00 C ATOM 34 O ARG A 3 -5.890 9.777 8.865 1.00 25.00 O ATOM 35 CB ARG A 3 -5.060 11.149 11.721 1.00 25.00 C ATOM 36 CG ARG A 3 -4.464 9.742 11.786 1.00 25.00 C ATOM 37 CD ARG A 3 -3.328 9.697 12.799 1.00 25.00 C ATOM 38 NE ARG A 3 -2.652 8.387 12.816 1.00 25.00 N ATOM 39 CZ ARG A 3 -1.671 8.013 11.998 1.00 25.00 C ATOM 40 NH1 ARG A 3 -1.211 8.787 11.043 1.00 25.00 N ATOM 41 NH2 ARG A 3 -1.143 6.829 12.143 1.00 25.00 N ATOM 0 H ARG A 3 -7.137 9.577 11.277 1.00 25.00 H new ATOM 0 HA ARG A 3 -6.442 12.387 10.623 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -4.259 11.858 11.512 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -5.463 11.403 12.701 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -5.236 9.025 12.063 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -4.096 9.450 10.803 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -2.602 10.476 12.564 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -3.720 9.915 13.792 1.00 25.00 H new ATOM 0 HE ARG A 3 -2.962 7.710 13.513 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -1.607 9.717 10.905 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -0.457 8.459 10.439 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -1.483 6.205 12.875 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -0.390 6.527 11.524 1.00 25.00 H new ATOM 55 N PRO A 4 -4.984 11.817 8.564 1.00 25.00 N ATOM 56 CA PRO A 4 -4.480 11.420 7.247 1.00 25.00 C ATOM 57 C PRO A 4 -3.300 10.452 7.342 1.00 25.00 C ATOM 58 O PRO A 4 -2.642 10.345 8.380 1.00 25.00 O ATOM 59 CB PRO A 4 -4.059 12.758 6.629 1.00 25.00 C ATOM 60 CG PRO A 4 -3.654 13.578 7.789 1.00 25.00 C ATOM 61 CD PRO A 4 -4.639 13.216 8.873 1.00 25.00 C ATOM 0 HA PRO A 4 -5.222 10.880 6.658 1.00 25.00 H new ATOM 0 HB2 PRO A 4 -3.237 12.631 5.924 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -4.880 13.220 6.081 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -2.631 13.357 8.093 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -3.694 14.642 7.556 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -4.198 13.312 9.865 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -5.517 13.861 8.850 1.00 25.00 H new ATOM 69 N SER A 5 -3.045 9.750 6.248 1.00 25.00 N ATOM 70 CA SER A 5 -1.996 8.728 6.186 1.00 25.00 C ATOM 71 C SER A 5 -1.151 8.909 4.921 1.00 25.00 C ATOM 72 O SER A 5 -0.995 7.992 4.126 1.00 25.00 O ATOM 73 CB SER A 5 -2.647 7.341 6.204 1.00 25.00 C ATOM 74 OG SER A 5 -1.678 6.323 6.313 1.00 25.00 O ATOM 0 H SER A 5 -3.557 9.869 5.374 1.00 25.00 H new ATOM 0 HA SER A 5 -1.338 8.828 7.049 1.00 25.00 H new ATOM 0 HB2 SER A 5 -3.343 7.274 7.040 1.00 25.00 H new ATOM 0 HB3 SER A 5 -3.228 7.197 5.293 1.00 25.00 H new ATOM 0 HG SER A 5 -2.121 5.449 6.324 1.00 25.00 H new ATOM 80 N GLU A 6 -0.667 10.127 4.709 1.00 25.00 N ATOM 81 CA GLU A 6 0.066 10.459 3.480 1.00 25.00 C ATOM 82 C GLU A 6 1.442 9.812 3.422 1.00 25.00 C ATOM 83 O GLU A 6 1.918 9.426 2.361 1.00 25.00 O ATOM 84 CB GLU A 6 0.245 11.969 3.372 1.00 25.00 C ATOM 85 CG GLU A 6 -1.056 12.728 3.398 1.00 25.00 C ATOM 86 CD GLU A 6 -0.862 14.202 3.199 1.00 25.00 C ATOM 87 OE1 GLU A 6 -0.142 14.867 3.886 1.00 25.00 O ATOM 88 OE2 GLU A 6 -1.539 14.686 2.206 1.00 25.00 O ATOM 0 H GLU A 6 -0.765 10.902 5.365 1.00 25.00 H new ATOM 0 HA GLU A 6 -0.529 10.073 2.652 1.00 25.00 H new ATOM 0 HB2 GLU A 6 0.874 12.313 4.193 1.00 25.00 H new ATOM 0 HB3 GLU A 6 0.774 12.200 2.447 1.00 25.00 H new ATOM 0 HG2 GLU A 6 -1.714 12.342 2.619 1.00 25.00 H new ATOM 0 HG3 GLU A 6 -1.555 12.555 4.351 1.00 25.00 H new ATOM 96 N THR A 7 2.088 9.722 4.567 1.00 25.00 N ATOM 97 CA THR A 7 3.410 9.107 4.665 1.00 25.00 C ATOM 98 C THR A 7 3.358 8.056 5.748 1.00 25.00 C ATOM 99 O THR A 7 2.615 8.189 6.720 1.00 25.00 O ATOM 100 CB THR A 7 4.501 10.143 5.004 1.00 25.00 C ATOM 101 OG1 THR A 7 4.043 10.979 6.069 1.00 25.00 O ATOM 102 CG2 THR A 7 4.807 11.027 3.804 1.00 25.00 C ATOM 0 H THR A 7 1.721 10.068 5.453 1.00 25.00 H new ATOM 0 HA THR A 7 3.667 8.668 3.701 1.00 25.00 H new ATOM 0 HB THR A 7 5.403 9.604 5.291 1.00 25.00 H new ATOM 0 HG1 THR A 7 4.735 11.638 6.288 1.00 25.00 H new ATOM 0 HG21 THR A 7 5.579 11.748 4.071 1.00 25.00 H new ATOM 0 HG22 THR A 7 5.157 10.409 2.977 1.00 25.00 H new ATOM 0 HG23 THR A 7 3.904 11.558 3.503 1.00 25.00 H new ATOM 110 N LEU A 8 4.105 6.984 5.538 1.00 25.00 N ATOM 111 CA LEU A 8 4.103 5.840 6.444 1.00 25.00 C ATOM 112 C LEU A 8 5.549 5.443 6.753 1.00 25.00 C ATOM 113 O LEU A 8 6.215 6.080 7.557 1.00 25.00 O ATOM 114 CB LEU A 8 3.359 4.651 5.797 1.00 25.00 C ATOM 115 CG LEU A 8 1.826 4.597 5.704 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.197 4.976 7.024 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.266 5.438 4.570 1.00 25.00 C ATOM 0 H LEU A 8 4.729 6.880 4.738 1.00 25.00 H new ATOM 0 HA LEU A 8 3.591 6.110 7.368 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.738 4.561 4.779 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.672 3.756 6.334 1.00 25.00 H new ATOM 0 HG LEU A 8 1.565 3.564 5.473 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.111 4.931 6.936 1.00 25.00 H new ATOM 0 HD12 LEU A 8 1.527 4.282 7.797 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.498 5.989 7.293 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.179 5.357 4.559 1.00 25.00 H new ATOM 0 HD22 LEU A 8 1.550 6.480 4.715 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.666 5.082 3.621 1.00 25.00 H new ATOM 129 N CYS A 9 6.012 4.399 6.066 1.00 25.00 N ATOM 130 CA CYS A 9 7.369 3.856 6.185 1.00 25.00 C ATOM 131 C CYS A 9 7.588 3.205 7.553 1.00 25.00 C ATOM 132 O CYS A 9 6.682 3.136 8.363 1.00 25.00 O ATOM 133 CB CYS A 9 8.421 4.941 5.921 1.00 25.00 C ATOM 134 SG CYS A 9 9.904 4.324 5.065 1.00 25.00 S ATOM 0 H CYS A 9 5.439 3.892 5.392 1.00 25.00 H new ATOM 0 HA CYS A 9 7.484 3.083 5.426 1.00 25.00 H new ATOM 0 HB2 CYS A 9 7.971 5.734 5.324 1.00 25.00 H new ATOM 0 HB3 CYS A 9 8.718 5.386 6.871 1.00 25.00 H new ATOM 139 N GLY A 10 8.771 2.652 7.766 1.00 25.00 N ATOM 140 CA GLY A 10 9.080 2.011 9.044 1.00 25.00 C ATOM 141 C GLY A 10 8.161 0.853 9.401 1.00 25.00 C ATOM 142 O GLY A 10 7.906 0.598 10.565 1.00 25.00 O ATOM 0 H GLY A 10 9.528 2.631 7.083 1.00 25.00 H new ATOM 0 HA2 GLY A 10 10.108 1.649 9.017 1.00 25.00 H new ATOM 0 HA3 GLY A 10 9.027 2.759 9.835 1.00 25.00 H new ATOM 146 N GLY A 11 7.625 0.178 8.392 1.00 25.00 N ATOM 147 CA GLY A 11 6.689 -0.917 8.622 1.00 25.00 C ATOM 148 C GLY A 11 5.236 -0.477 8.661 1.00 25.00 C ATOM 149 O GLY A 11 4.355 -1.274 8.378 1.00 25.00 O ATOM 0 H GLY A 11 7.821 0.368 7.409 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.813 -1.661 7.836 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.938 -1.404 9.565 1.00 25.00 H new ATOM 153 N GLU A 12 4.981 0.802 8.915 1.00 25.00 N ATOM 154 CA GLU A 12 3.610 1.331 8.921 1.00 25.00 C ATOM 155 C GLU A 12 2.975 1.182 7.544 1.00 25.00 C ATOM 156 O GLU A 12 1.775 1.047 7.407 1.00 25.00 O ATOM 157 CB GLU A 12 3.610 2.815 9.282 1.00 25.00 C ATOM 158 CG GLU A 12 4.077 3.138 10.691 1.00 25.00 C ATOM 159 CD GLU A 12 3.990 4.608 10.994 1.00 25.00 C ATOM 160 OE1 GLU A 12 3.369 5.069 11.907 1.00 25.00 O ATOM 161 OE2 GLU A 12 4.627 5.342 10.151 1.00 25.00 O ATOM 0 H GLU A 12 5.700 1.496 9.120 1.00 25.00 H new ATOM 0 HA GLU A 12 3.042 0.766 9.660 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.248 3.345 8.575 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.600 3.204 9.153 1.00 25.00 H new ATOM 0 HG2 GLU A 12 3.472 2.584 11.409 1.00 25.00 H new ATOM 0 HG3 GLU A 12 5.107 2.803 10.817 1.00 25.00 H new ATOM 168 N LEU A 13 3.809 1.179 6.516 1.00 25.00 N ATOM 169 CA LEU A 13 3.332 0.989 5.152 1.00 25.00 C ATOM 170 C LEU A 13 2.626 -0.349 5.003 1.00 25.00 C ATOM 171 O LEU A 13 1.590 -0.445 4.370 1.00 25.00 O ATOM 172 CB LEU A 13 4.503 1.027 4.173 1.00 25.00 C ATOM 173 CG LEU A 13 4.290 1.907 2.942 1.00 25.00 C ATOM 174 CD1 LEU A 13 5.519 1.780 2.058 1.00 25.00 C ATOM 175 CD2 LEU A 13 3.037 1.573 2.159 1.00 25.00 C ATOM 0 H LEU A 13 4.818 1.306 6.598 1.00 25.00 H new ATOM 0 HA LEU A 13 2.632 1.795 4.933 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.388 1.378 4.703 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.713 0.010 3.842 1.00 25.00 H new ATOM 0 HG LEU A 13 4.149 2.932 3.284 1.00 25.00 H new ATOM 0 HD11 LEU A 13 5.394 2.399 1.170 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.399 2.110 2.609 1.00 25.00 H new ATOM 0 HD13 LEU A 13 5.647 0.739 1.760 1.00 25.00 H new ATOM 0 HD21 LEU A 13 2.956 2.240 1.301 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.089 0.541 1.813 1.00 25.00 H new ATOM 0 HD23 LEU A 13 2.164 1.697 2.799 1.00 25.00 H new ATOM 187 N VAL A 14 3.215 -1.377 5.587 1.00 25.00 N ATOM 188 CA VAL A 14 2.658 -2.725 5.522 1.00 25.00 C ATOM 189 C VAL A 14 1.345 -2.752 6.291 1.00 25.00 C ATOM 190 O VAL A 14 0.391 -3.344 5.832 1.00 25.00 O ATOM 191 CB VAL A 14 3.659 -3.777 6.090 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.029 -5.178 6.163 1.00 25.00 C ATOM 193 CG2 VAL A 14 4.919 -3.827 5.199 1.00 25.00 C ATOM 0 H VAL A 14 4.084 -1.308 6.116 1.00 25.00 H new ATOM 0 HA VAL A 14 2.475 -2.988 4.480 1.00 25.00 H new ATOM 0 HB VAL A 14 3.926 -3.473 7.102 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.757 -5.884 6.564 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.155 -5.150 6.813 1.00 25.00 H new ATOM 0 HG13 VAL A 14 2.729 -5.494 5.164 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.617 -4.563 5.598 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.636 -4.107 4.184 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.394 -2.846 5.185 1.00 25.00 H new ATOM 203 N ASP A 15 1.280 -2.056 7.416 1.00 25.00 N ATOM 204 CA ASP A 15 0.036 -1.974 8.191 1.00 25.00 C ATOM 205 C ASP A 15 -1.091 -1.379 7.338 1.00 25.00 C ATOM 206 O ASP A 15 -2.170 -1.955 7.226 1.00 25.00 O ATOM 207 CB ASP A 15 0.257 -1.118 9.439 1.00 25.00 C ATOM 208 CG ASP A 15 -0.946 -1.108 10.353 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.322 -2.185 10.856 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.487 -0.010 10.604 1.00 25.00 O ATOM 0 H ASP A 15 2.064 -1.541 7.816 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.254 -2.980 8.494 1.00 25.00 H new ATOM 0 HB2 ASP A 15 1.122 -1.494 9.986 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.490 -0.096 9.139 1.00 25.00 H new ATOM 215 N THR A 16 -0.814 -0.271 6.665 1.00 25.00 N ATOM 216 CA THR A 16 -1.803 0.340 5.777 1.00 25.00 C ATOM 217 C THR A 16 -2.161 -0.585 4.615 1.00 25.00 C ATOM 218 O THR A 16 -3.318 -0.700 4.242 1.00 25.00 O ATOM 219 CB THR A 16 -1.276 1.663 5.194 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.712 2.442 6.247 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.393 2.474 4.552 1.00 25.00 C ATOM 0 H THR A 16 0.078 0.222 6.713 1.00 25.00 H new ATOM 0 HA THR A 16 -2.692 0.525 6.380 1.00 25.00 H new ATOM 0 HB THR A 16 -0.532 1.423 4.434 1.00 25.00 H new ATOM 0 HG1 THR A 16 -1.189 3.295 6.314 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.985 3.402 4.151 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.844 1.897 3.745 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.151 2.705 5.300 1.00 25.00 H new ATOM 229 N LEU A 17 -1.174 -1.264 4.054 1.00 25.00 N ATOM 230 CA LEU A 17 -1.417 -2.187 2.946 1.00 25.00 C ATOM 231 C LEU A 17 -2.322 -3.342 3.389 1.00 25.00 C ATOM 232 O LEU A 17 -3.192 -3.762 2.637 1.00 25.00 O ATOM 233 CB LEU A 17 -0.091 -2.722 2.399 1.00 25.00 C ATOM 234 CG LEU A 17 0.659 -1.768 1.452 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.152 -2.077 1.441 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.114 -1.866 0.025 1.00 25.00 C ATOM 0 H LEU A 17 -0.198 -1.197 4.343 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.927 -1.643 2.151 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.561 -2.961 3.240 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.284 -3.655 1.870 1.00 25.00 H new ATOM 0 HG LEU A 17 0.504 -0.755 1.823 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.661 -1.390 0.765 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.555 -1.961 2.447 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.309 -3.101 1.103 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.662 -1.181 -0.622 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.234 -2.886 -0.341 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.943 -1.601 0.020 1.00 25.00 H new ATOM 248 N GLN A 18 -2.158 -3.814 4.618 1.00 25.00 N ATOM 249 CA GLN A 18 -3.024 -4.867 5.158 1.00 25.00 C ATOM 250 C GLN A 18 -4.440 -4.329 5.385 1.00 25.00 C ATOM 251 O GLN A 18 -5.424 -5.012 5.115 1.00 25.00 O ATOM 252 CB GLN A 18 -2.469 -5.403 6.485 1.00 25.00 C ATOM 253 CG GLN A 18 -1.107 -6.095 6.375 1.00 25.00 C ATOM 254 CD GLN A 18 -1.182 -7.538 5.951 1.00 25.00 C ATOM 255 OE1 GLN A 18 -2.220 -8.049 5.581 1.00 25.00 O ATOM 256 NE2 GLN A 18 -0.058 -8.200 5.986 1.00 25.00 N ATOM 0 H GLN A 18 -1.437 -3.489 5.262 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.055 -5.679 4.431 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.385 -4.575 7.189 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.187 -6.108 6.905 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -0.491 -5.549 5.660 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.603 -6.037 7.340 1.00 25.00 H new ATOM 0 HE21 GLN A 18 0.795 -7.740 6.302 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -0.033 -9.178 5.697 1.00 25.00 H new ATOM 265 N PHE A 19 -4.544 -3.094 5.847 1.00 25.00 N ATOM 266 CA PHE A 19 -5.847 -2.464 6.068 1.00 25.00 C ATOM 267 C PHE A 19 -6.609 -2.297 4.746 1.00 25.00 C ATOM 268 O PHE A 19 -7.818 -2.494 4.680 1.00 25.00 O ATOM 269 CB PHE A 19 -5.645 -1.098 6.737 1.00 25.00 C ATOM 270 CG PHE A 19 -6.929 -0.402 7.096 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.581 -0.687 8.310 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.488 0.558 6.228 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.785 -0.025 8.660 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.693 1.225 6.566 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.337 0.936 7.786 1.00 25.00 C ATOM 0 H PHE A 19 -3.745 -2.503 6.078 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.440 -3.106 6.719 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.050 -1.231 7.640 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.070 -0.458 6.068 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.159 -1.419 8.983 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.993 0.788 5.296 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.278 -0.255 9.593 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.116 1.953 5.890 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.250 1.448 8.051 1.00 25.00 H new ATOM 285 N VAL A 20 -5.890 -1.944 3.689 1.00 25.00 N ATOM 286 CA VAL A 20 -6.495 -1.731 2.371 1.00 25.00 C ATOM 287 C VAL A 20 -6.760 -3.053 1.627 1.00 25.00 C ATOM 288 O VAL A 20 -7.811 -3.214 1.001 1.00 25.00 O ATOM 289 CB VAL A 20 -5.574 -0.792 1.506 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.086 -0.639 0.064 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.506 0.604 2.147 1.00 25.00 C ATOM 0 H VAL A 20 -4.881 -1.797 3.714 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.462 -1.254 2.527 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.588 -1.256 1.474 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.417 0.018 -0.492 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.117 -1.617 -0.417 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.088 -0.209 0.077 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.867 1.250 1.545 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.508 1.030 2.198 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -5.094 0.523 3.153 1.00 25.00 H new ATOM 301 N CYS A 21 -5.810 -3.979 1.657 1.00 25.00 N ATOM 302 CA CYS A 21 -5.900 -5.205 0.855 1.00 25.00 C ATOM 303 C CYS A 21 -5.228 -6.441 1.474 1.00 25.00 C ATOM 304 O CYS A 21 -4.717 -7.277 0.756 1.00 25.00 O ATOM 305 CB CYS A 21 -5.285 -4.940 -0.531 1.00 25.00 C ATOM 306 SG CYS A 21 -6.496 -4.386 -1.770 1.00 25.00 S ATOM 0 H CYS A 21 -4.966 -3.910 2.226 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.962 -5.445 0.797 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.505 -4.185 -0.435 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.805 -5.852 -0.887 1.00 25.00 H new ATOM 311 N GLY A 22 -5.251 -6.593 2.787 1.00 25.00 N ATOM 312 CA GLY A 22 -4.626 -7.764 3.394 1.00 25.00 C ATOM 313 C GLY A 22 -5.247 -9.079 2.956 1.00 25.00 C ATOM 314 O GLY A 22 -4.544 -9.997 2.558 1.00 25.00 O ATOM 0 H GLY A 22 -5.683 -5.941 3.442 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -3.565 -7.771 3.143 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -4.696 -7.682 4.479 1.00 25.00 H new ATOM 318 N ASP A 23 -6.571 -9.143 2.978 1.00 25.00 N ATOM 319 CA ASP A 23 -7.311 -10.349 2.569 1.00 25.00 C ATOM 320 C ASP A 23 -7.072 -10.715 1.103 1.00 25.00 C ATOM 321 O ASP A 23 -6.859 -11.870 0.758 1.00 25.00 O ATOM 322 CB ASP A 23 -8.806 -10.092 2.772 1.00 25.00 C ATOM 323 CG ASP A 23 -9.669 -11.236 2.274 1.00 25.00 C ATOM 324 OD1 ASP A 23 -10.326 -11.052 1.225 1.00 25.00 O ATOM 325 OD2 ASP A 23 -9.748 -12.276 2.958 1.00 25.00 O ATOM 0 H ASP A 23 -7.167 -8.371 3.276 1.00 25.00 H new ATOM 0 HA ASP A 23 -6.957 -11.180 3.179 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -9.002 -9.929 3.832 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -9.087 -9.177 2.251 1.00 25.00 H new ATOM 330 N ARG A 24 -7.100 -9.709 0.242 1.00 25.00 N ATOM 331 CA ARG A 24 -6.950 -9.910 -1.197 1.00 25.00 C ATOM 332 C ARG A 24 -5.495 -10.013 -1.629 1.00 25.00 C ATOM 333 O ARG A 24 -5.202 -10.316 -2.784 1.00 25.00 O ATOM 334 CB ARG A 24 -7.626 -8.746 -1.914 1.00 25.00 C ATOM 335 CG ARG A 24 -9.121 -8.698 -1.625 1.00 25.00 C ATOM 336 CD ARG A 24 -9.779 -7.480 -2.221 1.00 25.00 C ATOM 337 NE ARG A 24 -9.496 -6.246 -1.463 1.00 25.00 N ATOM 338 CZ ARG A 24 -10.110 -5.081 -1.648 1.00 25.00 C ATOM 339 NH1 ARG A 24 -11.041 -4.925 -2.559 1.00 25.00 N ATOM 340 NH2 ARG A 24 -9.799 -4.057 -0.907 1.00 25.00 N ATOM 0 H ARG A 24 -7.226 -8.735 0.516 1.00 25.00 H new ATOM 0 HA ARG A 24 -7.418 -10.859 -1.460 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -7.165 -7.809 -1.602 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.466 -8.838 -2.988 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.595 -9.596 -2.022 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -9.281 -8.704 -0.547 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.438 -7.355 -3.249 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.857 -7.638 -2.260 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.775 -6.290 -0.743 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -11.313 -5.711 -3.150 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -11.493 -4.018 -2.676 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -9.085 -4.148 -0.185 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -10.270 -3.163 -1.049 1.00 25.00 H new ATOM 354 N GLY A 25 -4.594 -9.733 -0.705 1.00 25.00 N ATOM 355 CA GLY A 25 -3.176 -9.708 -1.004 1.00 25.00 C ATOM 356 C GLY A 25 -2.764 -8.378 -1.605 1.00 25.00 C ATOM 357 O GLY A 25 -3.569 -7.641 -2.179 1.00 25.00 O ATOM 0 H GLY A 25 -4.823 -9.518 0.266 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.607 -9.890 -0.093 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.934 -10.514 -1.697 1.00 25.00 H new ATOM 361 N PHE A 26 -1.483 -8.070 -1.492 1.00 25.00 N ATOM 362 CA PHE A 26 -0.926 -6.846 -2.047 1.00 25.00 C ATOM 363 C PHE A 26 0.535 -7.121 -2.332 1.00 25.00 C ATOM 364 O PHE A 26 1.095 -8.083 -1.804 1.00 25.00 O ATOM 365 CB PHE A 26 -1.083 -5.676 -1.064 1.00 25.00 C ATOM 366 CG PHE A 26 -0.403 -5.897 0.267 1.00 25.00 C ATOM 367 CD1 PHE A 26 0.982 -5.670 0.413 1.00 25.00 C ATOM 368 CD2 PHE A 26 -1.149 -6.310 1.388 1.00 25.00 C ATOM 369 CE1 PHE A 26 1.621 -5.864 1.663 1.00 25.00 C ATOM 370 CE2 PHE A 26 -0.520 -6.500 2.645 1.00 25.00 C ATOM 371 CZ PHE A 26 0.867 -6.277 2.781 1.00 25.00 C ATOM 0 H PHE A 26 -0.801 -8.659 -1.014 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.451 -6.560 -2.958 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.678 -4.773 -1.522 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -2.145 -5.498 -0.893 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.562 -5.345 -0.438 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -2.210 -6.484 1.289 1.00 25.00 H new ATOM 0 HE1 PHE A 26 2.683 -5.696 1.759 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -1.102 -6.815 3.498 1.00 25.00 H new ATOM 0 HZ PHE A 26 1.349 -6.422 3.737 1.00 25.00 H new ATOM 381 N TYR A 27 1.153 -6.291 -3.157 1.00 25.00 N ATOM 382 CA TYR A 27 2.563 -6.471 -3.499 1.00 25.00 C ATOM 383 C TYR A 27 3.431 -5.278 -3.114 1.00 25.00 C ATOM 384 O TYR A 27 2.977 -4.138 -3.021 1.00 25.00 O ATOM 385 CB TYR A 27 2.705 -6.798 -4.983 1.00 25.00 C ATOM 386 CG TYR A 27 2.219 -8.198 -5.294 1.00 25.00 C ATOM 387 CD1 TYR A 27 3.046 -9.314 -5.047 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.924 -8.424 -5.810 1.00 25.00 C ATOM 389 CE1 TYR A 27 2.587 -10.634 -5.304 1.00 25.00 C ATOM 390 CE2 TYR A 27 0.466 -9.748 -6.069 1.00 25.00 C ATOM 391 CZ TYR A 27 1.303 -10.836 -5.807 1.00 25.00 C ATOM 392 OH TYR A 27 0.868 -12.116 -6.039 1.00 25.00 O ATOM 0 H TYR A 27 0.707 -5.489 -3.602 1.00 25.00 H new ATOM 0 HA TYR A 27 2.930 -7.311 -2.909 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.138 -6.076 -5.571 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.749 -6.700 -5.279 1.00 25.00 H new ATOM 0 HD1 TYR A 27 4.042 -9.163 -4.657 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.274 -7.585 -6.010 1.00 25.00 H new ATOM 0 HE1 TYR A 27 3.232 -11.479 -5.110 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -0.525 -9.910 -6.467 1.00 25.00 H new ATOM 0 HH TYR A 27 -0.048 -12.092 -6.388 1.00 25.00 H new ATOM 402 N PHE A 28 4.698 -5.575 -2.866 1.00 25.00 N ATOM 403 CA PHE A 28 5.677 -4.594 -2.421 1.00 25.00 C ATOM 404 C PHE A 28 6.809 -4.618 -3.442 1.00 25.00 C ATOM 405 O PHE A 28 6.898 -5.543 -4.238 1.00 25.00 O ATOM 406 CB PHE A 28 6.203 -5.000 -1.035 1.00 25.00 C ATOM 407 CG PHE A 28 6.506 -3.836 -0.126 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.513 -3.337 0.736 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.789 -3.252 -0.100 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.789 -2.263 1.620 1.00 25.00 C ATOM 411 CE2 PHE A 28 8.076 -2.173 0.776 1.00 25.00 C ATOM 412 CZ PHE A 28 7.073 -1.683 1.641 1.00 25.00 C ATOM 0 H PHE A 28 5.080 -6.515 -2.969 1.00 25.00 H new ATOM 0 HA PHE A 28 5.246 -3.596 -2.344 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.466 -5.642 -0.552 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.108 -5.594 -1.161 1.00 25.00 H new ATOM 0 HD1 PHE A 28 4.527 -3.778 0.725 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.561 -3.630 -0.754 1.00 25.00 H new ATOM 0 HE1 PHE A 28 5.016 -1.890 2.276 1.00 25.00 H new ATOM 0 HE2 PHE A 28 9.060 -1.727 0.781 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.289 -0.868 2.315 1.00 25.00 H new ATOM 422 N SER A 29 7.689 -3.630 -3.399 1.00 25.00 N ATOM 423 CA SER A 29 8.847 -3.590 -4.295 1.00 25.00 C ATOM 424 C SER A 29 10.088 -3.524 -3.425 1.00 25.00 C ATOM 425 O SER A 29 10.152 -2.723 -2.490 1.00 25.00 O ATOM 426 CB SER A 29 8.761 -2.379 -5.221 1.00 25.00 C ATOM 427 OG SER A 29 9.869 -2.315 -6.103 1.00 25.00 O ATOM 0 H SER A 29 7.628 -2.842 -2.755 1.00 25.00 H new ATOM 0 HA SER A 29 8.879 -4.476 -4.929 1.00 25.00 H new ATOM 0 HB2 SER A 29 7.838 -2.427 -5.799 1.00 25.00 H new ATOM 0 HB3 SER A 29 8.717 -1.467 -4.625 1.00 25.00 H new ATOM 0 HG SER A 29 9.697 -1.644 -6.797 1.00 25.00 H new ATOM 433 N ARG A 30 11.032 -4.422 -3.678 1.00 25.00 N ATOM 434 CA ARG A 30 12.207 -4.582 -2.825 1.00 25.00 C ATOM 435 C ARG A 30 13.430 -4.887 -3.691 1.00 25.00 C ATOM 436 O ARG A 30 13.329 -5.664 -4.635 1.00 25.00 O ATOM 437 CB ARG A 30 11.934 -5.755 -1.876 1.00 25.00 C ATOM 438 CG ARG A 30 12.534 -5.636 -0.492 1.00 25.00 C ATOM 439 CD ARG A 30 13.835 -6.419 -0.372 1.00 25.00 C ATOM 440 NE ARG A 30 14.124 -6.773 1.028 1.00 25.00 N ATOM 441 CZ ARG A 30 15.201 -7.433 1.439 1.00 25.00 C ATOM 442 NH1 ARG A 30 16.148 -7.811 0.614 1.00 25.00 N ATOM 443 NH2 ARG A 30 15.323 -7.721 2.708 1.00 25.00 N ATOM 0 H ARG A 30 11.007 -5.058 -4.475 1.00 25.00 H new ATOM 0 HA ARG A 30 12.402 -3.671 -2.259 1.00 25.00 H new ATOM 0 HB2 ARG A 30 10.855 -5.872 -1.775 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.312 -6.667 -2.338 1.00 25.00 H new ATOM 0 HG2 ARG A 30 12.719 -4.586 -0.265 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.820 -6.001 0.247 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.771 -7.327 -0.972 1.00 25.00 H new ATOM 0 HD3 ARG A 30 14.656 -5.827 -0.776 1.00 25.00 H new ATOM 0 HE ARG A 30 13.446 -6.490 1.735 1.00 25.00 H new ATOM 0 HH11 ARG A 30 16.072 -7.600 -0.381 1.00 25.00 H new ATOM 0 HH12 ARG A 30 16.961 -8.316 0.967 1.00 25.00 H new ATOM 0 HH21 ARG A 30 14.597 -7.439 3.367 1.00 25.00 H new ATOM 0 HH22 ARG A 30 16.144 -8.227 3.039 1.00 25.00 H new ATOM 457 N PRO A 31 14.590 -4.274 -3.397 1.00 25.00 N ATOM 458 CA PRO A 31 15.748 -4.622 -4.228 1.00 25.00 C ATOM 459 C PRO A 31 16.283 -6.022 -3.925 1.00 25.00 C ATOM 460 O PRO A 31 16.214 -6.495 -2.785 1.00 25.00 O ATOM 461 CB PRO A 31 16.774 -3.551 -3.847 1.00 25.00 C ATOM 462 CG PRO A 31 16.453 -3.232 -2.429 1.00 25.00 C ATOM 463 CD PRO A 31 14.945 -3.288 -2.357 1.00 25.00 C ATOM 0 HA PRO A 31 15.506 -4.644 -5.291 1.00 25.00 H new ATOM 0 HB2 PRO A 31 17.794 -3.920 -3.952 1.00 25.00 H new ATOM 0 HB3 PRO A 31 16.687 -2.671 -4.484 1.00 25.00 H new ATOM 0 HG2 PRO A 31 16.909 -3.951 -1.748 1.00 25.00 H new ATOM 0 HG3 PRO A 31 16.827 -2.247 -2.150 1.00 25.00 H new ATOM 0 HD2 PRO A 31 14.601 -3.602 -1.371 1.00 25.00 H new ATOM 0 HD3 PRO A 31 14.497 -2.315 -2.556 1.00 25.00 H new ATOM 471 N ALA A 32 16.826 -6.670 -4.948 1.00 25.00 N ATOM 472 CA ALA A 32 17.397 -8.012 -4.817 1.00 25.00 C ATOM 473 C ALA A 32 18.863 -8.014 -5.273 1.00 25.00 C ATOM 474 O ALA A 32 19.456 -9.060 -5.497 1.00 25.00 O ATOM 475 CB ALA A 32 16.571 -9.007 -5.647 1.00 25.00 C ATOM 0 H ALA A 32 16.885 -6.285 -5.891 1.00 25.00 H new ATOM 0 HA ALA A 32 17.366 -8.314 -3.770 1.00 25.00 H new ATOM 0 HB1 ALA A 32 16.997 -10.005 -5.548 1.00 25.00 H new ATOM 0 HB2 ALA A 32 15.542 -9.015 -5.287 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.587 -8.708 -6.695 1.00 25.00 H new ATOM 481 N SER A 33 19.426 -6.827 -5.448 1.00 25.00 N ATOM 482 CA SER A 33 20.802 -6.680 -5.908 1.00 25.00 C ATOM 483 C SER A 33 21.323 -5.341 -5.413 1.00 25.00 C ATOM 484 O SER A 33 20.537 -4.492 -4.996 1.00 25.00 O ATOM 485 CB SER A 33 20.861 -6.725 -7.439 1.00 25.00 C ATOM 486 OG SER A 33 22.206 -6.756 -7.896 1.00 25.00 O ATOM 0 H SER A 33 18.947 -5.943 -5.277 1.00 25.00 H new ATOM 0 HA SER A 33 21.412 -7.495 -5.520 1.00 25.00 H new ATOM 0 HB2 SER A 33 20.330 -7.605 -7.801 1.00 25.00 H new ATOM 0 HB3 SER A 33 20.353 -5.854 -7.852 1.00 25.00 H new ATOM 0 HG SER A 33 22.218 -6.786 -8.875 1.00 25.00 H new ATOM 492 N ARG A 34 22.636 -5.152 -5.470 1.00 25.00 N ATOM 493 CA ARG A 34 23.268 -3.893 -5.057 1.00 25.00 C ATOM 494 C ARG A 34 22.948 -2.762 -6.031 1.00 25.00 C ATOM 495 O ARG A 34 22.934 -1.600 -5.651 1.00 25.00 O ATOM 496 CB ARG A 34 24.795 -4.061 -5.013 1.00 25.00 C ATOM 497 CG ARG A 34 25.321 -4.989 -3.914 1.00 25.00 C ATOM 498 CD ARG A 34 25.343 -4.297 -2.551 1.00 25.00 C ATOM 499 NE ARG A 34 26.013 -5.134 -1.537 1.00 25.00 N ATOM 500 CZ ARG A 34 26.292 -4.757 -0.291 1.00 25.00 C ATOM 501 NH1 ARG A 34 25.983 -3.569 0.169 1.00 25.00 N ATOM 502 NH2 ARG A 34 26.901 -5.592 0.504 1.00 25.00 N ATOM 0 H ARG A 34 23.293 -5.858 -5.801 1.00 25.00 H new ATOM 0 HA ARG A 34 22.877 -3.643 -4.071 1.00 25.00 H new ATOM 0 HB2 ARG A 34 25.130 -4.442 -5.978 1.00 25.00 H new ATOM 0 HB3 ARG A 34 25.248 -3.078 -4.883 1.00 25.00 H new ATOM 0 HG2 ARG A 34 24.695 -5.880 -3.860 1.00 25.00 H new ATOM 0 HG3 ARG A 34 26.327 -5.322 -4.169 1.00 25.00 H new ATOM 0 HD2 ARG A 34 25.858 -3.340 -2.635 1.00 25.00 H new ATOM 0 HD3 ARG A 34 24.323 -4.083 -2.233 1.00 25.00 H new ATOM 0 HE ARG A 34 26.284 -6.078 -1.813 1.00 25.00 H new ATOM 0 HH11 ARG A 34 25.511 -2.895 -0.434 1.00 25.00 H new ATOM 0 HH12 ARG A 34 26.214 -3.318 1.130 1.00 25.00 H new ATOM 0 HH21 ARG A 34 27.157 -6.521 0.169 1.00 25.00 H new ATOM 0 HH22 ARG A 34 27.121 -5.317 1.461 1.00 25.00 H new ATOM 516 N VAL A 35 22.750 -3.104 -7.294 1.00 25.00 N ATOM 517 CA VAL A 35 22.525 -2.095 -8.330 1.00 25.00 C ATOM 518 C VAL A 35 21.058 -1.678 -8.394 1.00 25.00 C ATOM 519 O VAL A 35 20.161 -2.445 -8.040 1.00 25.00 O ATOM 520 CB VAL A 35 22.983 -2.604 -9.736 1.00 25.00 C ATOM 521 CG1 VAL A 35 24.491 -2.886 -9.730 1.00 25.00 C ATOM 522 CG2 VAL A 35 22.218 -3.878 -10.160 1.00 25.00 C ATOM 0 H VAL A 35 22.740 -4.067 -7.631 1.00 25.00 H new ATOM 0 HA VAL A 35 23.126 -1.228 -8.057 1.00 25.00 H new ATOM 0 HB VAL A 35 22.759 -1.819 -10.458 1.00 25.00 H new ATOM 0 HG11 VAL A 35 24.799 -3.240 -10.714 1.00 25.00 H new ATOM 0 HG12 VAL A 35 25.031 -1.971 -9.488 1.00 25.00 H new ATOM 0 HG13 VAL A 35 24.716 -3.648 -8.984 1.00 25.00 H new ATOM 0 HG21 VAL A 35 22.564 -4.201 -11.142 1.00 25.00 H new ATOM 0 HG22 VAL A 35 22.399 -4.670 -9.433 1.00 25.00 H new ATOM 0 HG23 VAL A 35 21.150 -3.663 -10.204 1.00 25.00 H new ATOM 532 N SER A 36 20.818 -0.471 -8.888 1.00 25.00 N ATOM 533 CA SER A 36 19.464 0.044 -9.062 1.00 25.00 C ATOM 534 C SER A 36 19.355 0.639 -10.451 1.00 25.00 C ATOM 535 O SER A 36 20.267 1.316 -10.913 1.00 25.00 O ATOM 536 CB SER A 36 19.156 1.117 -8.019 1.00 25.00 C ATOM 537 OG SER A 36 17.859 1.657 -8.221 1.00 25.00 O ATOM 0 H SER A 36 21.551 0.177 -9.178 1.00 25.00 H new ATOM 0 HA SER A 36 18.748 -0.768 -8.936 1.00 25.00 H new ATOM 0 HB2 SER A 36 19.225 0.689 -7.019 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.899 1.912 -8.078 1.00 25.00 H new ATOM 0 HG SER A 36 17.680 2.341 -7.542 1.00 25.00 H new ATOM 543 N ARG A 37 18.247 0.361 -11.122 1.00 25.00 N ATOM 544 CA ARG A 37 18.009 0.842 -12.488 1.00 25.00 C ATOM 545 C ARG A 37 16.657 1.551 -12.547 1.00 25.00 C ATOM 546 O ARG A 37 15.866 1.340 -13.450 1.00 25.00 O ATOM 547 CB ARG A 37 18.094 -0.327 -13.486 1.00 25.00 C ATOM 548 CG ARG A 37 19.538 -0.819 -13.700 1.00 25.00 C ATOM 549 CD ARG A 37 19.730 -2.290 -13.333 1.00 25.00 C ATOM 550 NE ARG A 37 19.198 -3.194 -14.367 1.00 25.00 N ATOM 551 CZ ARG A 37 19.312 -4.520 -14.360 1.00 25.00 C ATOM 552 NH1 ARG A 37 19.923 -5.165 -13.396 1.00 25.00 N ATOM 553 NH2 ARG A 37 18.808 -5.207 -15.347 1.00 25.00 N ATOM 0 H ARG A 37 17.486 -0.202 -10.742 1.00 25.00 H new ATOM 0 HA ARG A 37 18.779 1.561 -12.769 1.00 25.00 H new ATOM 0 HB2 ARG A 37 17.482 -1.154 -13.125 1.00 25.00 H new ATOM 0 HB3 ARG A 37 17.675 -0.015 -14.443 1.00 25.00 H new ATOM 0 HG2 ARG A 37 19.815 -0.672 -14.744 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.216 -0.210 -13.102 1.00 25.00 H new ATOM 0 HD2 ARG A 37 20.791 -2.491 -13.188 1.00 25.00 H new ATOM 0 HD3 ARG A 37 19.234 -2.494 -12.384 1.00 25.00 H new ATOM 0 HE ARG A 37 18.703 -2.770 -15.151 1.00 25.00 H new ATOM 0 HH11 ARG A 37 20.331 -4.649 -12.616 1.00 25.00 H new ATOM 0 HH12 ARG A 37 19.990 -6.182 -13.426 1.00 25.00 H new ATOM 0 HH21 ARG A 37 18.333 -4.728 -16.112 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.888 -6.224 -15.354 1.00 25.00 H new ATOM 567 N ARG A 38 16.420 2.392 -11.542 1.00 25.00 N ATOM 568 CA ARG A 38 15.223 3.226 -11.435 1.00 25.00 C ATOM 569 C ARG A 38 13.863 2.523 -11.554 1.00 25.00 C ATOM 570 O ARG A 38 12.981 2.943 -12.297 1.00 25.00 O ATOM 571 CB ARG A 38 15.317 4.372 -12.430 1.00 25.00 C ATOM 572 CG ARG A 38 14.706 5.603 -11.855 1.00 25.00 C ATOM 573 CD ARG A 38 14.300 6.573 -12.935 1.00 25.00 C ATOM 574 NE ARG A 38 15.454 7.298 -13.501 1.00 25.00 N ATOM 575 CZ ARG A 38 15.961 8.433 -13.027 1.00 25.00 C ATOM 576 NH1 ARG A 38 15.467 9.040 -11.974 1.00 25.00 N ATOM 577 NH2 ARG A 38 16.985 8.972 -13.625 1.00 25.00 N ATOM 0 H ARG A 38 17.067 2.516 -10.763 1.00 25.00 H new ATOM 0 HA ARG A 38 15.230 3.578 -10.403 1.00 25.00 H new ATOM 0 HB2 ARG A 38 16.361 4.559 -12.683 1.00 25.00 H new ATOM 0 HB3 ARG A 38 14.808 4.103 -13.355 1.00 25.00 H new ATOM 0 HG2 ARG A 38 13.834 5.334 -11.259 1.00 25.00 H new ATOM 0 HG3 ARG A 38 15.416 6.083 -11.181 1.00 25.00 H new ATOM 0 HD2 ARG A 38 13.787 6.033 -13.731 1.00 25.00 H new ATOM 0 HD3 ARG A 38 13.588 7.290 -12.527 1.00 25.00 H new ATOM 0 HE ARG A 38 15.900 6.895 -14.325 1.00 25.00 H new ATOM 0 HH11 ARG A 38 14.664 8.643 -11.486 1.00 25.00 H new ATOM 0 HH12 ARG A 38 15.886 9.909 -11.643 1.00 25.00 H new ATOM 0 HH21 ARG A 38 17.389 8.524 -14.447 1.00 25.00 H new ATOM 0 HH22 ARG A 38 17.383 9.842 -13.271 1.00 25.00 H new ATOM 591 N SER A 39 13.671 1.510 -10.734 1.00 25.00 N ATOM 592 CA SER A 39 12.374 0.851 -10.624 1.00 25.00 C ATOM 593 C SER A 39 11.448 1.702 -9.745 1.00 25.00 C ATOM 594 O SER A 39 11.908 2.492 -8.914 1.00 25.00 O ATOM 595 CB SER A 39 12.552 -0.536 -10.006 1.00 25.00 C ATOM 596 OG SER A 39 13.297 -0.453 -8.801 1.00 25.00 O ATOM 0 H SER A 39 14.395 1.120 -10.130 1.00 25.00 H new ATOM 0 HA SER A 39 11.932 0.742 -11.615 1.00 25.00 H new ATOM 0 HB2 SER A 39 11.576 -0.980 -9.807 1.00 25.00 H new ATOM 0 HB3 SER A 39 13.062 -1.192 -10.711 1.00 25.00 H new ATOM 0 HG SER A 39 13.400 -1.349 -8.418 1.00 25.00 H new ATOM 602 N ARG A 40 10.144 1.525 -9.927 1.00 25.00 N ATOM 603 CA ARG A 40 9.127 2.220 -9.125 1.00 25.00 C ATOM 604 C ARG A 40 8.724 1.271 -7.997 1.00 25.00 C ATOM 605 O ARG A 40 8.840 0.057 -8.142 1.00 25.00 O ATOM 606 CB ARG A 40 7.920 2.556 -10.026 1.00 25.00 C ATOM 607 CG ARG A 40 6.772 3.356 -9.366 1.00 25.00 C ATOM 608 CD ARG A 40 7.142 4.808 -9.062 1.00 25.00 C ATOM 609 NE ARG A 40 7.289 5.608 -10.290 1.00 25.00 N ATOM 610 CZ ARG A 40 7.464 6.924 -10.328 1.00 25.00 C ATOM 611 NH1 ARG A 40 7.523 7.661 -9.247 1.00 25.00 N ATOM 612 NH2 ARG A 40 7.571 7.515 -11.489 1.00 25.00 N ATOM 0 H ARG A 40 9.756 0.898 -10.632 1.00 25.00 H new ATOM 0 HA ARG A 40 9.504 3.154 -8.708 1.00 25.00 H new ATOM 0 HB2 ARG A 40 8.281 3.122 -10.885 1.00 25.00 H new ATOM 0 HB3 ARG A 40 7.509 1.622 -10.410 1.00 25.00 H new ATOM 0 HG2 ARG A 40 5.903 3.340 -10.024 1.00 25.00 H new ATOM 0 HG3 ARG A 40 6.480 2.861 -8.440 1.00 25.00 H new ATOM 0 HD2 ARG A 40 6.374 5.253 -8.429 1.00 25.00 H new ATOM 0 HD3 ARG A 40 8.075 4.834 -8.498 1.00 25.00 H new ATOM 0 HE ARG A 40 7.254 5.113 -11.181 1.00 25.00 H new ATOM 0 HH11 ARG A 40 7.433 7.227 -8.328 1.00 25.00 H new ATOM 0 HH12 ARG A 40 7.659 8.669 -9.324 1.00 25.00 H new ATOM 0 HH21 ARG A 40 7.520 6.966 -12.347 1.00 25.00 H new ATOM 0 HH22 ARG A 40 7.706 8.525 -11.537 1.00 25.00 H new ATOM 626 N GLY A 41 8.240 1.803 -6.884 1.00 25.00 N ATOM 627 CA GLY A 41 7.766 0.954 -5.806 1.00 25.00 C ATOM 628 C GLY A 41 6.903 1.708 -4.822 1.00 25.00 C ATOM 629 O GLY A 41 6.945 2.932 -4.789 1.00 25.00 O ATOM 0 H GLY A 41 8.166 2.805 -6.707 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.197 0.123 -6.224 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.620 0.524 -5.282 1.00 25.00 H new ATOM 633 N ILE A 42 6.141 0.986 -4.012 1.00 25.00 N ATOM 634 CA ILE A 42 5.252 1.609 -3.025 1.00 25.00 C ATOM 635 C ILE A 42 6.049 2.435 -2.003 1.00 25.00 C ATOM 636 O ILE A 42 5.643 3.530 -1.627 1.00 25.00 O ATOM 637 CB ILE A 42 4.356 0.514 -2.321 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.367 1.153 -1.335 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.207 -0.536 -1.562 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.192 1.848 -1.968 1.00 25.00 C ATOM 0 H ILE A 42 6.116 -0.034 -4.014 1.00 25.00 H new ATOM 0 HA ILE A 42 4.589 2.299 -3.546 1.00 25.00 H new ATOM 0 HB ILE A 42 3.808 0.012 -3.118 1.00 25.00 H new ATOM 0 HG12 ILE A 42 2.993 0.378 -0.666 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.906 1.873 -0.719 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.549 -1.268 -1.094 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.872 -1.041 -2.263 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.800 -0.038 -0.795 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.554 2.266 -1.189 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.549 2.650 -2.614 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.622 1.132 -2.560 1.00 25.00 H new ATOM 652 N VAL A 43 7.223 1.957 -1.611 1.00 25.00 N ATOM 653 CA VAL A 43 8.058 2.686 -0.655 1.00 25.00 C ATOM 654 C VAL A 43 8.535 4.012 -1.258 1.00 25.00 C ATOM 655 O VAL A 43 8.711 5.002 -0.556 1.00 25.00 O ATOM 656 CB VAL A 43 9.261 1.803 -0.175 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.266 1.532 -1.315 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.971 2.451 1.015 1.00 25.00 C ATOM 0 H VAL A 43 7.620 1.075 -1.935 1.00 25.00 H new ATOM 0 HA VAL A 43 7.455 2.919 0.223 1.00 25.00 H new ATOM 0 HB VAL A 43 8.850 0.844 0.140 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.084 0.917 -0.940 1.00 25.00 H new ATOM 0 HG12 VAL A 43 9.762 1.009 -2.128 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.663 2.478 -1.683 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.802 1.820 1.330 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.349 3.431 0.723 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.268 2.565 1.840 1.00 25.00 H new ATOM 668 N GLU A 44 8.678 4.063 -2.572 1.00 25.00 N ATOM 669 CA GLU A 44 9.104 5.289 -3.225 1.00 25.00 C ATOM 670 C GLU A 44 8.024 6.350 -3.151 1.00 25.00 C ATOM 671 O GLU A 44 8.313 7.538 -3.210 1.00 25.00 O ATOM 672 CB GLU A 44 9.451 5.023 -4.679 1.00 25.00 C ATOM 673 CG GLU A 44 10.833 5.503 -5.029 1.00 25.00 C ATOM 674 CD GLU A 44 11.120 5.395 -6.503 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.267 5.294 -7.346 1.00 25.00 O ATOM 676 OE2 GLU A 44 12.371 5.357 -6.785 1.00 25.00 O ATOM 0 H GLU A 44 8.507 3.279 -3.202 1.00 25.00 H new ATOM 0 HA GLU A 44 9.989 5.652 -2.702 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.378 3.954 -4.879 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.723 5.518 -5.321 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.945 6.541 -4.715 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.569 4.921 -4.474 1.00 25.00 H new ATOM 683 N GLU A 45 6.780 5.916 -3.020 1.00 25.00 N ATOM 684 CA GLU A 45 5.663 6.841 -2.983 1.00 25.00 C ATOM 685 C GLU A 45 5.156 7.154 -1.581 1.00 25.00 C ATOM 686 O GLU A 45 4.598 8.199 -1.393 1.00 25.00 O ATOM 687 CB GLU A 45 4.508 6.308 -3.826 1.00 25.00 C ATOM 688 CG GLU A 45 4.893 5.984 -5.276 1.00 25.00 C ATOM 689 CD GLU A 45 5.622 7.114 -5.955 1.00 25.00 C ATOM 690 OE1 GLU A 45 6.686 6.978 -6.518 1.00 25.00 O ATOM 691 OE2 GLU A 45 5.003 8.251 -5.899 1.00 25.00 O ATOM 0 H GLU A 45 6.521 4.933 -2.938 1.00 25.00 H new ATOM 0 HA GLU A 45 6.046 7.776 -3.393 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.113 5.407 -3.356 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.704 7.044 -3.830 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.521 5.093 -5.290 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.992 5.748 -5.842 1.00 25.00 H new ATOM 698 N CYS A 46 5.334 6.253 -0.620 1.00 25.00 N ATOM 699 CA CYS A 46 4.814 6.474 0.743 1.00 25.00 C ATOM 700 C CYS A 46 5.902 6.642 1.814 1.00 25.00 C ATOM 701 O CYS A 46 5.607 6.649 3.012 1.00 25.00 O ATOM 702 CB CYS A 46 3.904 5.312 1.147 1.00 25.00 C ATOM 703 SG CYS A 46 2.452 5.066 0.075 1.00 25.00 S ATOM 0 H CYS A 46 5.827 5.370 -0.748 1.00 25.00 H new ATOM 0 HA CYS A 46 4.266 7.415 0.699 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.492 4.394 1.153 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.560 5.477 2.168 1.00 25.00 H new ATOM 708 N CYS A 47 7.155 6.748 1.390 1.00 25.00 N ATOM 709 CA CYS A 47 8.271 6.989 2.316 1.00 25.00 C ATOM 710 C CYS A 47 9.171 8.099 1.781 1.00 25.00 C ATOM 711 O CYS A 47 9.371 9.110 2.433 1.00 25.00 O ATOM 712 CB CYS A 47 9.087 5.711 2.517 1.00 25.00 C ATOM 713 SG CYS A 47 10.363 5.845 3.808 1.00 25.00 S ATOM 0 H CYS A 47 7.431 6.672 0.411 1.00 25.00 H new ATOM 0 HA CYS A 47 7.859 7.297 3.277 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.410 4.896 2.773 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.565 5.445 1.574 1.00 25.00 H new ATOM 718 N PHE A 48 9.684 7.921 0.568 1.00 25.00 N ATOM 719 CA PHE A 48 10.515 8.952 -0.064 1.00 25.00 C ATOM 720 C PHE A 48 9.650 10.134 -0.494 1.00 25.00 C ATOM 721 O PHE A 48 10.129 11.255 -0.642 1.00 25.00 O ATOM 722 CB PHE A 48 11.233 8.390 -1.291 1.00 25.00 C ATOM 723 CG PHE A 48 12.298 7.382 -0.966 1.00 25.00 C ATOM 724 CD1 PHE A 48 11.996 6.011 -0.917 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.620 7.799 -0.722 1.00 25.00 C ATOM 726 CE1 PHE A 48 12.996 5.057 -0.644 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.634 6.852 -0.433 1.00 25.00 C ATOM 728 CZ PHE A 48 14.321 5.476 -0.400 1.00 25.00 C ATOM 0 H PHE A 48 9.544 7.083 0.004 1.00 25.00 H new ATOM 0 HA PHE A 48 11.255 9.282 0.665 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.498 7.927 -1.949 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.683 9.214 -1.845 1.00 25.00 H new ATOM 0 HD1 PHE A 48 10.982 5.683 -1.091 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.864 8.851 -0.755 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.749 4.006 -0.622 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.644 7.182 -0.239 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.091 4.748 -0.189 1.00 25.00 H new ATOM 738 N ARG A 49 8.373 9.857 -0.717 1.00 25.00 N ATOM 739 CA ARG A 49 7.382 10.871 -1.085 1.00 25.00 C ATOM 740 C ARG A 49 6.122 10.599 -0.283 1.00 25.00 C ATOM 741 O ARG A 49 6.087 9.653 0.504 1.00 25.00 O ATOM 742 CB ARG A 49 7.079 10.802 -2.586 1.00 25.00 C ATOM 743 CG ARG A 49 8.271 11.166 -3.436 1.00 25.00 C ATOM 744 CD ARG A 49 7.936 11.178 -4.912 1.00 25.00 C ATOM 745 NE ARG A 49 9.127 11.535 -5.705 1.00 25.00 N ATOM 746 CZ ARG A 49 9.533 12.774 -5.966 1.00 25.00 C ATOM 747 NH1 ARG A 49 8.888 13.833 -5.545 1.00 25.00 N ATOM 748 NH2 ARG A 49 10.620 12.949 -6.668 1.00 25.00 N ATOM 0 H ARG A 49 7.987 8.915 -0.648 1.00 25.00 H new ATOM 0 HA ARG A 49 7.764 11.868 -0.868 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.750 9.794 -2.841 1.00 25.00 H new ATOM 0 HB3 ARG A 49 6.253 11.475 -2.817 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.640 12.148 -3.141 1.00 25.00 H new ATOM 0 HG3 ARG A 49 9.077 10.455 -3.253 1.00 25.00 H new ATOM 0 HD2 ARG A 49 7.569 10.198 -5.216 1.00 25.00 H new ATOM 0 HD3 ARG A 49 7.135 11.892 -5.104 1.00 25.00 H new ATOM 0 HE ARG A 49 9.684 10.769 -6.084 1.00 25.00 H new ATOM 0 HH11 ARG A 49 8.037 13.726 -4.993 1.00 25.00 H new ATOM 0 HH12 ARG A 49 9.236 14.765 -5.769 1.00 25.00 H new ATOM 0 HH21 ARG A 49 11.144 12.142 -7.007 1.00 25.00 H new ATOM 0 HH22 ARG A 49 10.946 13.893 -6.877 1.00 25.00 H new ATOM 762 N SER A 50 5.102 11.410 -0.511 1.00 25.00 N ATOM 763 CA SER A 50 3.783 11.214 0.080 1.00 25.00 C ATOM 764 C SER A 50 2.881 10.507 -0.932 1.00 25.00 C ATOM 765 O SER A 50 3.062 10.660 -2.148 1.00 25.00 O ATOM 766 CB SER A 50 3.182 12.573 0.429 1.00 25.00 C ATOM 767 OG SER A 50 3.206 13.421 -0.708 1.00 25.00 O ATOM 0 H SER A 50 5.164 12.229 -1.115 1.00 25.00 H new ATOM 0 HA SER A 50 3.868 10.609 0.982 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.157 12.448 0.778 1.00 25.00 H new ATOM 0 HB3 SER A 50 3.743 13.029 1.245 1.00 25.00 H new ATOM 0 HG SER A 50 2.817 14.290 -0.476 1.00 25.00 H new ATOM 773 N CYS A 51 1.908 9.762 -0.433 1.00 25.00 N ATOM 774 CA CYS A 51 0.967 9.021 -1.263 1.00 25.00 C ATOM 775 C CYS A 51 -0.445 9.229 -0.722 1.00 25.00 C ATOM 776 O CYS A 51 -0.637 9.960 0.243 1.00 25.00 O ATOM 777 CB CYS A 51 1.334 7.530 -1.269 1.00 25.00 C ATOM 778 SG CYS A 51 1.320 6.729 0.366 1.00 25.00 S ATOM 0 H CYS A 51 1.746 9.652 0.568 1.00 25.00 H new ATOM 0 HA CYS A 51 1.012 9.385 -2.289 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.638 7.002 -1.922 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.327 7.417 -1.704 1.00 25.00 H new ATOM 783 N ASP A 52 -1.421 8.594 -1.354 1.00 25.00 N ATOM 784 CA ASP A 52 -2.820 8.704 -0.946 1.00 25.00 C ATOM 785 C ASP A 52 -3.443 7.322 -1.061 1.00 25.00 C ATOM 786 O ASP A 52 -2.855 6.435 -1.683 1.00 25.00 O ATOM 787 CB ASP A 52 -3.566 9.692 -1.847 1.00 25.00 C ATOM 788 CG ASP A 52 -4.693 10.405 -1.118 1.00 25.00 C ATOM 789 OD1 ASP A 52 -5.564 9.715 -0.544 1.00 25.00 O ATOM 790 OD2 ASP A 52 -4.695 11.647 -1.100 1.00 25.00 O ATOM 0 H ASP A 52 -1.270 7.989 -2.161 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.885 9.072 0.078 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.863 10.430 -2.233 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.973 9.160 -2.707 1.00 25.00 H new ATOM 795 N LEU A 53 -4.629 7.151 -0.501 1.00 25.00 N ATOM 796 CA LEU A 53 -5.342 5.876 -0.508 1.00 25.00 C ATOM 797 C LEU A 53 -5.594 5.373 -1.924 1.00 25.00 C ATOM 798 O LEU A 53 -5.455 4.185 -2.197 1.00 25.00 O ATOM 799 CB LEU A 53 -6.689 6.058 0.208 1.00 25.00 C ATOM 800 CG LEU A 53 -7.619 4.834 0.280 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.989 3.691 1.063 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.938 5.241 0.929 1.00 25.00 C ATOM 0 H LEU A 53 -5.132 7.898 -0.023 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.724 5.138 0.004 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.488 6.390 1.227 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.229 6.864 -0.289 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.794 4.480 -0.736 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.677 2.846 1.091 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.061 3.387 0.580 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.777 4.020 2.080 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.600 4.376 0.982 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.748 5.615 1.935 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.410 6.023 0.334 1.00 25.00 H new ATOM 814 N ALA A 54 -5.948 6.279 -2.824 1.00 25.00 N ATOM 815 CA ALA A 54 -6.246 5.898 -4.206 1.00 25.00 C ATOM 816 C ALA A 54 -5.021 5.274 -4.869 1.00 25.00 C ATOM 817 O ALA A 54 -5.118 4.264 -5.551 1.00 25.00 O ATOM 818 CB ALA A 54 -6.721 7.126 -4.995 1.00 25.00 C ATOM 0 H ALA A 54 -6.037 7.276 -2.629 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.042 5.154 -4.201 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -6.941 6.836 -6.022 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.621 7.530 -4.532 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -5.939 7.885 -4.992 1.00 25.00 H new ATOM 824 N LEU A 55 -3.864 5.870 -4.635 1.00 25.00 N ATOM 825 CA LEU A 55 -2.616 5.357 -5.176 1.00 25.00 C ATOM 826 C LEU A 55 -2.243 4.059 -4.467 1.00 25.00 C ATOM 827 O LEU A 55 -1.857 3.086 -5.096 1.00 25.00 O ATOM 828 CB LEU A 55 -1.526 6.412 -4.982 1.00 25.00 C ATOM 829 CG LEU A 55 -0.065 5.956 -5.049 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.288 5.211 -6.327 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.812 7.176 -4.915 1.00 25.00 C ATOM 0 H LEU A 55 -3.763 6.714 -4.071 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.725 5.145 -6.240 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.670 7.184 -5.738 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.685 6.882 -4.012 1.00 25.00 H new ATOM 0 HG LEU A 55 0.096 5.248 -4.236 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.338 4.921 -6.301 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.333 4.319 -6.412 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.112 5.858 -7.186 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.859 6.878 -4.960 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.597 7.870 -5.728 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.614 7.663 -3.960 1.00 25.00 H new ATOM 843 N LEU A 56 -2.364 4.038 -3.154 1.00 25.00 N ATOM 844 CA LEU A 56 -1.976 2.865 -2.382 1.00 25.00 C ATOM 845 C LEU A 56 -2.780 1.627 -2.796 1.00 25.00 C ATOM 846 O LEU A 56 -2.245 0.522 -2.862 1.00 25.00 O ATOM 847 CB LEU A 56 -2.134 3.173 -0.890 1.00 25.00 C ATOM 848 CG LEU A 56 -1.242 2.334 0.034 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.797 3.177 1.222 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.956 1.096 0.539 1.00 25.00 C ATOM 0 H LEU A 56 -2.725 4.813 -2.598 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.931 2.633 -2.586 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.915 4.228 -0.725 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.175 3.016 -0.608 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.378 2.012 -0.547 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.164 2.578 1.876 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.236 4.041 0.865 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.672 3.516 1.776 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.288 0.531 1.190 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.844 1.391 1.098 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.250 0.475 -0.307 1.00 25.00 H new ATOM 862 N GLU A 57 -4.036 1.837 -3.164 1.00 25.00 N ATOM 863 CA GLU A 57 -4.902 0.761 -3.641 1.00 25.00 C ATOM 864 C GLU A 57 -4.380 0.094 -4.919 1.00 25.00 C ATOM 865 O GLU A 57 -4.655 -1.070 -5.167 1.00 25.00 O ATOM 866 CB GLU A 57 -6.304 1.322 -3.904 1.00 25.00 C ATOM 867 CG GLU A 57 -7.368 0.253 -4.110 1.00 25.00 C ATOM 868 CD GLU A 57 -8.742 0.834 -4.273 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.129 1.356 -5.280 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.480 0.707 -3.217 1.00 25.00 O ATOM 0 H GLU A 57 -4.485 2.753 -3.142 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.923 -0.003 -2.864 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.595 1.953 -3.065 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.269 1.961 -4.786 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.120 -0.337 -4.992 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.364 -0.428 -3.259 1.00 25.00 H new ATOM 878 N THR A 58 -3.616 0.813 -5.726 1.00 25.00 N ATOM 879 CA THR A 58 -3.111 0.262 -6.989 1.00 25.00 C ATOM 880 C THR A 58 -2.046 -0.818 -6.782 1.00 25.00 C ATOM 881 O THR A 58 -1.725 -1.558 -7.703 1.00 25.00 O ATOM 882 CB THR A 58 -2.567 1.362 -7.927 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.361 1.915 -7.392 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.595 2.487 -8.086 1.00 25.00 C ATOM 0 H THR A 58 -3.329 1.774 -5.538 1.00 25.00 H new ATOM 0 HA THR A 58 -3.973 -0.206 -7.465 1.00 25.00 H new ATOM 0 HB THR A 58 -2.368 0.910 -8.898 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.576 2.497 -6.634 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.196 3.254 -8.750 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.514 2.083 -8.510 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.808 2.926 -7.111 1.00 25.00 H new ATOM 892 N TYR A 59 -1.507 -0.908 -5.572 1.00 25.00 N ATOM 893 CA TYR A 59 -0.517 -1.935 -5.237 1.00 25.00 C ATOM 894 C TYR A 59 -1.187 -3.175 -4.628 1.00 25.00 C ATOM 895 O TYR A 59 -0.511 -4.112 -4.185 1.00 25.00 O ATOM 896 CB TYR A 59 0.534 -1.364 -4.283 1.00 25.00 C ATOM 897 CG TYR A 59 1.473 -0.393 -4.969 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.163 0.981 -5.064 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.679 -0.847 -5.541 1.00 25.00 C ATOM 900 CE1 TYR A 59 2.051 1.887 -5.707 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.563 0.054 -6.198 1.00 25.00 C ATOM 902 CZ TYR A 59 3.239 1.412 -6.268 1.00 25.00 C ATOM 903 OH TYR A 59 4.101 2.279 -6.893 1.00 25.00 O ATOM 0 H TYR A 59 -1.737 -0.281 -4.801 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.023 -2.245 -6.158 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.034 -0.859 -3.457 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.112 -2.182 -3.853 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.239 1.349 -4.643 1.00 25.00 H new ATOM 0 HD2 TYR A 59 2.936 -1.894 -5.480 1.00 25.00 H new ATOM 0 HE1 TYR A 59 1.808 2.938 -5.761 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.479 -0.309 -6.640 1.00 25.00 H new ATOM 0 HH TYR A 59 4.879 1.784 -7.226 1.00 25.00 H new ATOM 913 N CYS A 60 -2.512 -3.193 -4.653 1.00 25.00 N ATOM 914 CA CYS A 60 -3.283 -4.371 -4.260 1.00 25.00 C ATOM 915 C CYS A 60 -3.024 -5.450 -5.311 1.00 25.00 C ATOM 916 O CYS A 60 -2.613 -5.145 -6.431 1.00 25.00 O ATOM 917 CB CYS A 60 -4.777 -4.030 -4.233 1.00 25.00 C ATOM 918 SG CYS A 60 -5.861 -5.279 -3.475 1.00 25.00 S ATOM 0 H CYS A 60 -3.083 -2.399 -4.944 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.989 -4.712 -3.267 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -4.906 -3.090 -3.696 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.110 -3.860 -5.257 1.00 25.00 H new ATOM 923 N ALA A 61 -3.256 -6.701 -4.964 1.00 25.00 N ATOM 924 CA ALA A 61 -3.080 -7.785 -5.913 1.00 25.00 C ATOM 925 C ALA A 61 -4.248 -7.809 -6.911 1.00 25.00 C ATOM 926 O ALA A 61 -5.282 -7.185 -6.682 1.00 25.00 O ATOM 927 CB ALA A 61 -2.983 -9.096 -5.166 1.00 25.00 C ATOM 0 H ALA A 61 -3.565 -6.992 -4.037 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.159 -7.632 -6.475 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.851 -9.911 -5.877 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -2.131 -9.066 -4.487 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.897 -9.258 -4.595 1.00 25.00 H new ATOM 933 N THR A 62 -4.048 -8.577 -7.983 1.00 25.00 N ATOM 934 CA THR A 62 -4.995 -8.769 -9.110 1.00 25.00 C ATOM 935 C THR A 62 -5.139 -7.511 -9.988 1.00 25.00 C ATOM 936 O THR A 62 -4.931 -6.388 -9.531 1.00 25.00 O ATOM 937 CB THR A 62 -6.414 -9.291 -8.675 1.00 25.00 C ATOM 938 OG1 THR A 62 -7.194 -8.224 -8.140 1.00 25.00 O ATOM 939 CG2 THR A 62 -6.310 -10.401 -7.630 1.00 25.00 C ATOM 0 H THR A 62 -3.187 -9.111 -8.106 1.00 25.00 H new ATOM 0 HA THR A 62 -4.536 -9.557 -9.708 1.00 25.00 H new ATOM 0 HB THR A 62 -6.896 -9.694 -9.566 1.00 25.00 H new ATOM 0 HG1 THR A 62 -6.602 -7.564 -7.722 1.00 25.00 H new ATOM 0 HG21 THR A 62 -7.310 -10.736 -7.354 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.748 -11.238 -8.043 1.00 25.00 H new ATOM 0 HG23 THR A 62 -5.798 -10.021 -6.746 1.00 25.00 H new ATOM 947 N PRO A 63 -5.407 -7.691 -11.297 1.00 25.00 N ATOM 948 CA PRO A 63 -5.439 -6.476 -12.120 1.00 25.00 C ATOM 949 C PRO A 63 -6.648 -5.582 -11.923 1.00 25.00 C ATOM 950 O PRO A 63 -7.777 -6.029 -11.710 1.00 25.00 O ATOM 951 CB PRO A 63 -5.420 -7.016 -13.541 1.00 25.00 C ATOM 952 CG PRO A 63 -6.062 -8.354 -13.439 1.00 25.00 C ATOM 953 CD PRO A 63 -5.619 -8.905 -12.110 1.00 25.00 C ATOM 0 HA PRO A 63 -4.605 -5.827 -11.853 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -5.968 -6.364 -14.221 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -4.402 -7.092 -13.923 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -7.148 -8.274 -13.490 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -5.751 -9.003 -14.258 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -6.375 -9.557 -11.672 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -4.706 -9.493 -12.202 1.00 25.00 H new ATOM 961 N ALA A 64 -6.389 -4.294 -12.046 1.00 25.00 N ATOM 962 CA ALA A 64 -7.427 -3.287 -11.889 1.00 25.00 C ATOM 963 C ALA A 64 -8.431 -3.383 -13.039 1.00 25.00 C ATOM 964 O ALA A 64 -8.045 -3.542 -14.199 1.00 25.00 O ATOM 965 CB ALA A 64 -6.795 -1.890 -11.843 1.00 25.00 C ATOM 0 H ALA A 64 -5.465 -3.917 -12.255 1.00 25.00 H new ATOM 0 HA ALA A 64 -7.956 -3.463 -10.953 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -7.577 -1.140 -11.725 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -6.106 -1.830 -11.001 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -6.252 -1.705 -12.770 1.00 25.00 H new ATOM 971 N LYS A 65 -9.712 -3.263 -12.697 1.00 25.00 N ATOM 972 CA LYS A 65 -10.820 -3.259 -13.670 1.00 25.00 C ATOM 973 C LYS A 65 -10.759 -4.443 -14.653 1.00 25.00 C ATOM 974 O LYS A 65 -11.049 -4.294 -15.836 1.00 25.00 O ATOM 975 CB LYS A 65 -10.841 -1.913 -14.418 1.00 25.00 C ATOM 976 CG LYS A 65 -12.213 -1.519 -14.973 1.00 25.00 C ATOM 977 CD LYS A 65 -12.121 -0.220 -15.761 1.00 25.00 C ATOM 978 CE LYS A 65 -13.490 0.192 -16.294 1.00 25.00 C ATOM 979 NZ LYS A 65 -13.396 1.446 -17.118 1.00 25.00 N ATOM 0 H LYS A 65 -10.021 -3.164 -11.730 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.750 -3.382 -13.115 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -10.498 -1.130 -13.742 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -10.129 -1.958 -15.242 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.593 -2.314 -15.615 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -12.923 -1.404 -14.154 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -11.722 0.569 -15.124 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -11.425 -0.342 -16.591 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -13.906 -0.614 -16.899 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -14.175 0.351 -15.461 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -14.341 1.703 -17.468 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -13.021 2.219 -16.532 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -12.760 1.284 -17.925 1.00 25.00 H new ATOM 993 N SER A 66 -10.374 -5.603 -14.134 1.00 25.00 N ATOM 994 CA SER A 66 -10.279 -6.844 -14.916 1.00 25.00 C ATOM 995 C SER A 66 -9.471 -6.702 -16.208 1.00 25.00 C ATOM 996 O SER A 66 -9.840 -7.224 -17.254 1.00 25.00 O ATOM 997 CB SER A 66 -11.683 -7.358 -15.248 1.00 25.00 C ATOM 998 OG SER A 66 -12.483 -7.408 -14.078 1.00 25.00 O ATOM 0 H SER A 66 -10.116 -5.717 -13.154 1.00 25.00 H new ATOM 0 HA SER A 66 -9.742 -7.556 -14.290 1.00 25.00 H new ATOM 0 HB2 SER A 66 -12.150 -6.707 -15.987 1.00 25.00 H new ATOM 0 HB3 SER A 66 -11.617 -8.351 -15.694 1.00 25.00 H new ATOM 0 HG SER A 66 -13.377 -7.737 -14.307 1.00 25.00 H new ATOM 1004 N GLU A 67 -8.329 -6.011 -16.129 1.00 25.00 N ATOM 1005 CA GLU A 67 -7.425 -5.865 -17.279 1.00 25.00 C ATOM 1006 C GLU A 67 -6.887 -7.216 -17.773 1.00 25.00 C ATOM 1007 O GLU A 67 -6.534 -8.041 -16.837 1.00 25.00 O ATOM 1008 CB GLU A 67 -6.277 -4.885 -16.938 1.00 25.00 C ATOM 1009 CG GLU A 67 -5.375 -4.602 -18.158 1.00 25.00 C ATOM 1010 CD GLU A 67 -4.224 -3.712 -17.758 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -3.067 -4.055 -17.800 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -4.604 -2.546 -17.332 1.00 25.00 O ATOM 0 H GLU A 67 -8.007 -5.543 -15.282 1.00 25.00 H new ATOM 0 HA GLU A 67 -8.003 -5.447 -18.103 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -6.697 -3.948 -16.573 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -5.674 -5.300 -16.130 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -4.995 -5.539 -18.564 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -5.956 -4.125 -18.947 1.00 25.00 H new TER 1019 GLU A 67