USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=17 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 Set 1.1: A 62 THR OG1 : rot -21:sc= 1.86 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -162:sc= 0.872 (180deg=0.325) USER MOD Single : A 1 ALA N :NH3+ -134:sc= 0.0212 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 16 THR OG1 : rot 73:sc= 1.14 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 130:sc= -0.0987 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 -130:sc= 0.335 USER MOD Single : A 50 SER OG : rot 90:sc= 0.445 USER MOD Single : A 58 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 59 TYR OH : rot -165:sc= 1.21 USER MOD Single : A 66 SER OG : rot -57:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.182 24.730 3.216 1.00 25.00 N ATOM 2 CA ALA A 1 -4.970 24.782 4.058 1.00 25.00 C ATOM 3 C ALA A 1 -3.805 23.954 3.508 1.00 25.00 C ATOM 4 O ALA A 1 -3.832 23.433 2.410 1.00 25.00 O ATOM 5 CB ALA A 1 -5.365 24.321 5.475 1.00 25.00 C ATOM 0 H1 ALA A 1 -6.560 25.691 3.093 1.00 25.00 H new ATOM 0 H2 ALA A 1 -5.942 24.330 2.286 1.00 25.00 H new ATOM 0 H3 ALA A 1 -6.898 24.132 3.675 1.00 25.00 H new ATOM 0 HA ALA A 1 -4.599 25.807 4.070 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -4.489 24.348 6.124 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -6.132 24.985 5.873 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -5.753 23.303 5.432 1.00 25.00 H new ATOM 10 N TYR A 2 -2.745 23.839 4.313 1.00 25.00 N ATOM 11 CA TYR A 2 -1.577 23.047 3.941 1.00 25.00 C ATOM 12 C TYR A 2 -1.925 21.567 4.067 1.00 25.00 C ATOM 13 O TYR A 2 -2.872 21.201 4.759 1.00 25.00 O ATOM 14 CB TYR A 2 -0.390 23.401 4.837 1.00 25.00 C ATOM 15 CG TYR A 2 0.948 22.995 4.258 1.00 25.00 C ATOM 16 CD1 TYR A 2 1.512 23.709 3.181 1.00 25.00 C ATOM 17 CD2 TYR A 2 1.659 21.896 4.778 1.00 25.00 C ATOM 18 CE1 TYR A 2 2.763 23.324 2.625 1.00 25.00 C ATOM 19 CE2 TYR A 2 2.911 21.511 4.226 1.00 25.00 C ATOM 20 CZ TYR A 2 3.449 22.227 3.156 1.00 25.00 C ATOM 21 OH TYR A 2 4.655 21.852 2.625 1.00 25.00 O ATOM 0 H TYR A 2 -2.675 24.286 5.227 1.00 25.00 H new ATOM 0 HA TYR A 2 -1.296 23.265 2.911 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -0.388 24.476 5.015 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -0.519 22.917 5.805 1.00 25.00 H new ATOM 0 HD1 TYR A 2 0.987 24.560 2.773 1.00 25.00 H new ATOM 0 HD2 TYR A 2 1.248 21.339 5.607 1.00 25.00 H new ATOM 0 HE1 TYR A 2 3.181 23.876 1.797 1.00 25.00 H new ATOM 0 HE2 TYR A 2 3.445 20.666 4.634 1.00 25.00 H new ATOM 0 HH TYR A 2 4.998 21.073 3.110 1.00 25.00 H new ATOM 31 N ARG A 3 -1.164 20.719 3.389 1.00 25.00 N ATOM 32 CA ARG A 3 -1.423 19.281 3.379 1.00 25.00 C ATOM 33 C ARG A 3 -0.270 18.538 4.042 1.00 25.00 C ATOM 34 O ARG A 3 0.874 18.976 3.964 1.00 25.00 O ATOM 35 CB ARG A 3 -1.583 18.796 1.943 1.00 25.00 C ATOM 36 CG ARG A 3 -2.776 19.408 1.216 1.00 25.00 C ATOM 37 CD ARG A 3 -2.824 18.949 -0.235 1.00 25.00 C ATOM 38 NE ARG A 3 -3.948 19.576 -0.956 1.00 25.00 N ATOM 39 CZ ARG A 3 -5.167 19.059 -1.083 1.00 25.00 C ATOM 40 NH1 ARG A 3 -5.499 17.898 -0.572 1.00 25.00 N ATOM 41 NH2 ARG A 3 -6.073 19.729 -1.740 1.00 25.00 N ATOM 0 H ARG A 3 -0.356 21.002 2.834 1.00 25.00 H new ATOM 0 HA ARG A 3 -2.341 19.084 3.933 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -0.674 19.027 1.388 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -1.688 17.711 1.945 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -3.699 19.125 1.722 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -2.712 20.495 1.255 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -1.886 19.200 -0.730 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -2.924 17.864 -0.273 1.00 25.00 H new ATOM 0 HE ARG A 3 -3.776 20.481 -1.394 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -4.810 17.354 -0.053 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -6.446 17.539 -0.694 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -5.842 20.635 -2.147 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -7.013 19.347 -1.847 1.00 25.00 H new ATOM 55 N PRO A 4 -0.556 17.418 4.720 1.00 25.00 N ATOM 56 CA PRO A 4 0.529 16.717 5.409 1.00 25.00 C ATOM 57 C PRO A 4 1.379 15.864 4.475 1.00 25.00 C ATOM 58 O PRO A 4 0.943 15.462 3.402 1.00 25.00 O ATOM 59 CB PRO A 4 -0.224 15.842 6.412 1.00 25.00 C ATOM 60 CG PRO A 4 -1.487 15.502 5.713 1.00 25.00 C ATOM 61 CD PRO A 4 -1.851 16.738 4.915 1.00 25.00 C ATOM 0 HA PRO A 4 1.242 17.406 5.860 1.00 25.00 H new ATOM 0 HB2 PRO A 4 0.344 14.948 6.667 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -0.414 16.375 7.343 1.00 25.00 H new ATOM 0 HG2 PRO A 4 -1.355 14.638 5.061 1.00 25.00 H new ATOM 0 HG3 PRO A 4 -2.273 15.248 6.424 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -2.315 16.479 3.963 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -2.558 17.369 5.453 1.00 25.00 H new ATOM 69 N SER A 5 2.580 15.545 4.929 1.00 25.00 N ATOM 70 CA SER A 5 3.479 14.634 4.223 1.00 25.00 C ATOM 71 C SER A 5 3.683 13.472 5.176 1.00 25.00 C ATOM 72 O SER A 5 4.572 13.495 6.010 1.00 25.00 O ATOM 73 CB SER A 5 4.805 15.319 3.897 1.00 25.00 C ATOM 74 OG SER A 5 4.590 16.413 3.018 1.00 25.00 O ATOM 0 H SER A 5 2.964 15.910 5.801 1.00 25.00 H new ATOM 0 HA SER A 5 3.067 14.309 3.268 1.00 25.00 H new ATOM 0 HB2 SER A 5 5.277 15.668 4.815 1.00 25.00 H new ATOM 0 HB3 SER A 5 5.489 14.604 3.439 1.00 25.00 H new ATOM 0 HG SER A 5 5.447 16.845 2.818 1.00 25.00 H new ATOM 80 N GLU A 6 2.757 12.525 5.133 1.00 25.00 N ATOM 81 CA GLU A 6 2.695 11.459 6.135 1.00 25.00 C ATOM 82 C GLU A 6 3.884 10.494 6.173 1.00 25.00 C ATOM 83 O GLU A 6 4.085 9.837 7.184 1.00 25.00 O ATOM 84 CB GLU A 6 1.395 10.649 5.971 1.00 25.00 C ATOM 85 CG GLU A 6 1.237 9.874 4.638 1.00 25.00 C ATOM 86 CD GLU A 6 0.002 9.008 4.625 1.00 25.00 C ATOM 87 OE1 GLU A 6 -0.564 8.662 5.620 1.00 25.00 O ATOM 88 OE2 GLU A 6 -0.389 8.651 3.440 1.00 25.00 O ATOM 0 H GLU A 6 2.035 12.469 4.415 1.00 25.00 H new ATOM 0 HA GLU A 6 2.726 11.990 7.086 1.00 25.00 H new ATOM 0 HB2 GLU A 6 1.330 9.935 6.792 1.00 25.00 H new ATOM 0 HB3 GLU A 6 0.551 11.331 6.073 1.00 25.00 H new ATOM 0 HG2 GLU A 6 1.190 10.583 3.811 1.00 25.00 H new ATOM 0 HG3 GLU A 6 2.117 9.252 4.475 1.00 25.00 H new ATOM 96 N THR A 7 4.637 10.404 5.078 1.00 25.00 N ATOM 97 CA THR A 7 5.768 9.462 4.939 1.00 25.00 C ATOM 98 C THR A 7 5.533 8.126 5.616 1.00 25.00 C ATOM 99 O THR A 7 6.130 7.751 6.629 1.00 25.00 O ATOM 100 CB THR A 7 7.080 10.066 5.372 1.00 25.00 C ATOM 101 OG1 THR A 7 6.907 10.795 6.589 1.00 25.00 O ATOM 102 CG2 THR A 7 7.546 11.002 4.300 1.00 25.00 C ATOM 0 H THR A 7 4.486 10.983 4.252 1.00 25.00 H new ATOM 0 HA THR A 7 5.832 9.260 3.870 1.00 25.00 H new ATOM 0 HB THR A 7 7.812 9.275 5.535 1.00 25.00 H new ATOM 0 HG1 THR A 7 7.765 11.182 6.863 1.00 25.00 H new ATOM 0 HG21 THR A 7 8.495 11.450 4.595 1.00 25.00 H new ATOM 0 HG22 THR A 7 7.678 10.451 3.369 1.00 25.00 H new ATOM 0 HG23 THR A 7 6.804 11.787 4.155 1.00 25.00 H new ATOM 110 N LEU A 8 4.598 7.435 5.011 1.00 25.00 N ATOM 111 CA LEU A 8 4.107 6.154 5.489 1.00 25.00 C ATOM 112 C LEU A 8 5.154 5.088 5.209 1.00 25.00 C ATOM 113 O LEU A 8 5.454 4.762 4.059 1.00 25.00 O ATOM 114 CB LEU A 8 2.792 5.830 4.793 1.00 25.00 C ATOM 115 CG LEU A 8 2.048 4.588 5.259 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.516 4.750 6.679 1.00 25.00 C ATOM 117 CD2 LEU A 8 0.902 4.339 4.300 1.00 25.00 C ATOM 0 H LEU A 8 4.144 7.749 4.154 1.00 25.00 H new ATOM 0 HA LEU A 8 3.926 6.190 6.563 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.128 6.686 4.910 1.00 25.00 H new ATOM 0 HB3 LEU A 8 2.991 5.725 3.726 1.00 25.00 H new ATOM 0 HG LEU A 8 2.735 3.742 5.268 1.00 25.00 H new ATOM 0 HD11 LEU A 8 0.991 3.842 6.976 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.347 4.928 7.361 1.00 25.00 H new ATOM 0 HD13 LEU A 8 0.829 5.596 6.716 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.352 3.452 4.613 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.233 5.200 4.301 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.295 4.186 3.295 1.00 25.00 H new ATOM 129 N CYS A 9 5.767 4.609 6.274 1.00 25.00 N ATOM 130 CA CYS A 9 6.939 3.753 6.163 1.00 25.00 C ATOM 131 C CYS A 9 6.946 2.614 7.174 1.00 25.00 C ATOM 132 O CYS A 9 6.176 2.606 8.134 1.00 25.00 O ATOM 133 CB CYS A 9 8.186 4.615 6.376 1.00 25.00 C ATOM 134 SG CYS A 9 9.641 4.049 5.439 1.00 25.00 S ATOM 0 H CYS A 9 5.473 4.798 7.232 1.00 25.00 H new ATOM 0 HA CYS A 9 6.923 3.299 5.172 1.00 25.00 H new ATOM 0 HB2 CYS A 9 7.959 5.642 6.091 1.00 25.00 H new ATOM 0 HB3 CYS A 9 8.431 4.626 7.438 1.00 25.00 H new ATOM 139 N GLY A 10 7.851 1.667 6.974 1.00 25.00 N ATOM 140 CA GLY A 10 8.005 0.570 7.911 1.00 25.00 C ATOM 141 C GLY A 10 6.768 -0.297 7.983 1.00 25.00 C ATOM 142 O GLY A 10 6.081 -0.513 6.984 1.00 25.00 O ATOM 0 H GLY A 10 8.485 1.638 6.176 1.00 25.00 H new ATOM 0 HA2 GLY A 10 8.858 -0.041 7.616 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.226 0.968 8.901 1.00 25.00 H new ATOM 146 N GLY A 11 6.464 -0.773 9.181 1.00 25.00 N ATOM 147 CA GLY A 11 5.293 -1.607 9.380 1.00 25.00 C ATOM 148 C GLY A 11 3.990 -0.868 9.144 1.00 25.00 C ATOM 149 O GLY A 11 2.999 -1.487 8.817 1.00 25.00 O ATOM 0 H GLY A 11 7.010 -0.596 10.024 1.00 25.00 H new ATOM 0 HA2 GLY A 11 5.345 -2.463 8.707 1.00 25.00 H new ATOM 0 HA3 GLY A 11 5.302 -2.000 10.397 1.00 25.00 H new ATOM 153 N GLU A 12 3.995 0.453 9.272 1.00 25.00 N ATOM 154 CA GLU A 12 2.774 1.240 9.073 1.00 25.00 C ATOM 155 C GLU A 12 2.313 1.146 7.622 1.00 25.00 C ATOM 156 O GLU A 12 1.122 1.104 7.339 1.00 25.00 O ATOM 157 CB GLU A 12 3.018 2.711 9.423 1.00 25.00 C ATOM 158 CG GLU A 12 3.498 2.947 10.855 1.00 25.00 C ATOM 159 CD GLU A 12 3.796 4.397 11.137 1.00 25.00 C ATOM 160 OE1 GLU A 12 4.299 4.784 12.150 1.00 25.00 O ATOM 161 OE2 GLU A 12 3.491 5.193 10.170 1.00 25.00 O ATOM 0 H GLU A 12 4.821 1.002 9.510 1.00 25.00 H new ATOM 0 HA GLU A 12 2.003 0.835 9.729 1.00 25.00 H new ATOM 0 HB2 GLU A 12 3.757 3.118 8.733 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.094 3.268 9.266 1.00 25.00 H new ATOM 0 HG2 GLU A 12 2.737 2.595 11.552 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.395 2.354 11.036 1.00 25.00 H new ATOM 168 N LEU A 13 3.266 1.089 6.703 1.00 25.00 N ATOM 169 CA LEU A 13 2.944 0.973 5.285 1.00 25.00 C ATOM 170 C LEU A 13 2.290 -0.379 5.017 1.00 25.00 C ATOM 171 O LEU A 13 1.300 -0.478 4.304 1.00 25.00 O ATOM 172 CB LEU A 13 4.222 1.119 4.447 1.00 25.00 C ATOM 173 CG LEU A 13 4.067 0.995 2.920 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.036 1.965 2.373 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.424 1.252 2.257 1.00 25.00 C ATOM 0 H LEU A 13 4.264 1.121 6.910 1.00 25.00 H new ATOM 0 HA LEU A 13 2.249 1.765 5.006 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.663 2.091 4.666 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.934 0.364 4.779 1.00 25.00 H new ATOM 0 HG LEU A 13 3.718 -0.013 2.695 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.959 1.843 1.293 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.068 1.763 2.831 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.340 2.986 2.602 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.323 1.166 1.175 1.00 25.00 H new ATOM 0 HD22 LEU A 13 5.769 2.254 2.511 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.148 0.519 2.613 1.00 25.00 H new ATOM 187 N VAL A 14 2.850 -1.419 5.617 1.00 25.00 N ATOM 188 CA VAL A 14 2.346 -2.782 5.446 1.00 25.00 C ATOM 189 C VAL A 14 0.961 -2.919 6.081 1.00 25.00 C ATOM 190 O VAL A 14 0.074 -3.552 5.517 1.00 25.00 O ATOM 191 CB VAL A 14 3.335 -3.813 6.078 1.00 25.00 C ATOM 192 CG1 VAL A 14 2.800 -5.241 5.961 1.00 25.00 C ATOM 193 CG2 VAL A 14 4.706 -3.723 5.382 1.00 25.00 C ATOM 0 H VAL A 14 3.660 -1.348 6.232 1.00 25.00 H new ATOM 0 HA VAL A 14 2.264 -2.989 4.379 1.00 25.00 H new ATOM 0 HB VAL A 14 3.440 -3.569 7.135 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.511 -5.934 6.410 1.00 25.00 H new ATOM 0 HG12 VAL A 14 1.844 -5.315 6.480 1.00 25.00 H new ATOM 0 HG13 VAL A 14 2.662 -5.493 4.909 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.389 -4.445 5.829 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.590 -3.942 4.320 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.110 -2.718 5.503 1.00 25.00 H new ATOM 203 N ASP A 15 0.772 -2.299 7.234 1.00 25.00 N ATOM 204 CA ASP A 15 -0.513 -2.333 7.931 1.00 25.00 C ATOM 205 C ASP A 15 -1.586 -1.639 7.097 1.00 25.00 C ATOM 206 O ASP A 15 -2.680 -2.160 6.912 1.00 25.00 O ATOM 207 CB ASP A 15 -0.383 -1.634 9.284 1.00 25.00 C ATOM 208 CG ASP A 15 -1.605 -1.825 10.154 1.00 25.00 C ATOM 209 OD1 ASP A 15 -2.063 -2.978 10.290 1.00 25.00 O ATOM 210 OD2 ASP A 15 -2.071 -0.831 10.746 1.00 25.00 O ATOM 0 H ASP A 15 1.494 -1.762 7.714 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.803 -3.373 8.084 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.494 -2.018 9.805 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.217 -0.569 9.125 1.00 25.00 H new ATOM 215 N THR A 16 -1.244 -0.495 6.523 1.00 25.00 N ATOM 216 CA THR A 16 -2.178 0.230 5.664 1.00 25.00 C ATOM 217 C THR A 16 -2.537 -0.603 4.438 1.00 25.00 C ATOM 218 O THR A 16 -3.692 -0.664 4.050 1.00 25.00 O ATOM 219 CB THR A 16 -1.586 1.572 5.197 1.00 25.00 C ATOM 220 OG1 THR A 16 -1.174 2.330 6.337 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.613 2.400 4.430 1.00 25.00 C ATOM 0 H THR A 16 -0.334 -0.048 6.633 1.00 25.00 H new ATOM 0 HA THR A 16 -3.074 0.424 6.254 1.00 25.00 H new ATOM 0 HB THR A 16 -0.743 1.352 4.542 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.358 1.939 6.713 1.00 25.00 H new ATOM 0 HG21 THR A 16 -2.161 3.341 4.116 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.945 1.846 3.552 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.468 2.606 5.074 1.00 25.00 H new ATOM 229 N LEU A 17 -1.565 -1.278 3.844 1.00 25.00 N ATOM 230 CA LEU A 17 -1.836 -2.123 2.680 1.00 25.00 C ATOM 231 C LEU A 17 -2.831 -3.236 3.043 1.00 25.00 C ATOM 232 O LEU A 17 -3.726 -3.559 2.259 1.00 25.00 O ATOM 233 CB LEU A 17 -0.529 -2.716 2.144 1.00 25.00 C ATOM 234 CG LEU A 17 0.337 -1.761 1.303 1.00 25.00 C ATOM 235 CD1 LEU A 17 1.798 -2.165 1.365 1.00 25.00 C ATOM 236 CD2 LEU A 17 -0.117 -1.748 -0.160 1.00 25.00 C ATOM 0 H LEU A 17 -0.589 -1.261 4.141 1.00 25.00 H new ATOM 0 HA LEU A 17 -2.284 -1.510 1.898 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.064 -3.067 2.989 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.769 -3.590 1.538 1.00 25.00 H new ATOM 0 HG LEU A 17 0.219 -0.762 1.722 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.392 -1.477 0.764 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.141 -2.132 2.399 1.00 25.00 H new ATOM 0 HD13 LEU A 17 1.912 -3.177 0.977 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.512 -1.065 -0.730 1.00 25.00 H new ATOM 0 HD22 LEU A 17 -0.033 -2.752 -0.576 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -1.154 -1.418 -0.216 1.00 25.00 H new ATOM 248 N GLN A 18 -2.721 -3.775 4.250 1.00 25.00 N ATOM 249 CA GLN A 18 -3.673 -4.785 4.716 1.00 25.00 C ATOM 250 C GLN A 18 -5.044 -4.185 5.018 1.00 25.00 C ATOM 251 O GLN A 18 -6.057 -4.816 4.763 1.00 25.00 O ATOM 252 CB GLN A 18 -3.146 -5.500 5.954 1.00 25.00 C ATOM 253 CG GLN A 18 -1.953 -6.359 5.646 1.00 25.00 C ATOM 254 CD GLN A 18 -1.490 -7.166 6.824 1.00 25.00 C ATOM 255 OE1 GLN A 18 -0.286 -6.916 7.250 1.00 25.00 O flip ATOM 256 NE2 GLN A 18 -2.194 -8.023 7.329 1.00 25.00 N flip ATOM 0 H GLN A 18 -1.991 -3.536 4.921 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.788 -5.504 3.905 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.876 -4.763 6.710 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.937 -6.118 6.379 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -2.200 -7.033 4.826 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -1.135 -5.725 5.303 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -3.133 -8.190 6.967 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -1.844 -8.573 8.113 1.00 25.00 H new ATOM 265 N PHE A 19 -5.086 -2.962 5.516 1.00 25.00 N ATOM 266 CA PHE A 19 -6.360 -2.287 5.760 1.00 25.00 C ATOM 267 C PHE A 19 -7.092 -2.039 4.435 1.00 25.00 C ATOM 268 O PHE A 19 -8.311 -2.154 4.349 1.00 25.00 O ATOM 269 CB PHE A 19 -6.111 -0.957 6.478 1.00 25.00 C ATOM 270 CG PHE A 19 -7.371 -0.224 6.845 1.00 25.00 C ATOM 271 CD1 PHE A 19 -8.043 -0.519 8.046 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.898 0.766 5.993 1.00 25.00 C ATOM 273 CE1 PHE A 19 -9.240 0.158 8.395 1.00 25.00 C ATOM 274 CE2 PHE A 19 -9.090 1.453 6.329 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.765 1.144 7.530 1.00 25.00 C ATOM 0 H PHE A 19 -4.261 -2.414 5.760 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.983 -2.923 6.389 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.534 -1.145 7.383 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.502 -0.318 5.839 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.642 -1.270 8.710 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -7.387 1.004 5.072 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.748 -0.079 9.318 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -9.482 2.212 5.668 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.679 1.659 7.786 1.00 25.00 H new ATOM 285 N VAL A 20 -6.331 -1.695 3.405 1.00 25.00 N ATOM 286 CA VAL A 20 -6.888 -1.390 2.085 1.00 25.00 C ATOM 287 C VAL A 20 -7.351 -2.645 1.330 1.00 25.00 C ATOM 288 O VAL A 20 -8.416 -2.623 0.705 1.00 25.00 O ATOM 289 CB VAL A 20 -5.839 -0.583 1.246 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.273 -0.379 -0.200 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.635 0.792 1.876 1.00 25.00 C ATOM 0 H VAL A 20 -5.315 -1.618 3.455 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.780 -0.782 2.235 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.918 -1.166 1.247 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.508 0.186 -0.733 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.408 -1.348 -0.679 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.213 0.172 -0.223 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.905 1.355 1.293 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.583 1.331 1.889 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -5.271 0.674 2.897 1.00 25.00 H new ATOM 301 N CYS A 21 -6.572 -3.723 1.367 1.00 25.00 N ATOM 302 CA CYS A 21 -6.927 -4.942 0.605 1.00 25.00 C ATOM 303 C CYS A 21 -6.681 -6.325 1.255 1.00 25.00 C ATOM 304 O CYS A 21 -7.062 -7.347 0.680 1.00 25.00 O ATOM 305 CB CYS A 21 -6.201 -4.920 -0.741 1.00 25.00 C ATOM 306 SG CYS A 21 -7.106 -4.036 -2.054 1.00 25.00 S ATOM 0 H CYS A 21 -5.706 -3.790 1.901 1.00 25.00 H new ATOM 0 HA CYS A 21 -8.013 -4.872 0.537 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -5.225 -4.453 -0.609 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -6.023 -5.946 -1.063 1.00 25.00 H new ATOM 311 N GLY A 22 -6.072 -6.377 2.429 1.00 25.00 N ATOM 312 CA GLY A 22 -5.803 -7.650 3.098 1.00 25.00 C ATOM 313 C GLY A 22 -4.367 -8.117 2.930 1.00 25.00 C ATOM 314 O GLY A 22 -3.621 -7.541 2.159 1.00 25.00 O ATOM 0 H GLY A 22 -5.753 -5.555 2.942 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -6.025 -7.550 4.160 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -6.475 -8.411 2.703 1.00 25.00 H new ATOM 318 N ASP A 23 -3.970 -9.156 3.656 1.00 25.00 N ATOM 319 CA ASP A 23 -2.576 -9.646 3.647 1.00 25.00 C ATOM 320 C ASP A 23 -2.105 -10.162 2.282 1.00 25.00 C ATOM 321 O ASP A 23 -1.047 -9.786 1.797 1.00 25.00 O ATOM 322 CB ASP A 23 -2.385 -10.734 4.723 1.00 25.00 C ATOM 323 CG ASP A 23 -3.133 -12.030 4.403 1.00 25.00 C ATOM 324 OD1 ASP A 23 -2.530 -13.113 4.542 1.00 25.00 O ATOM 325 OD2 ASP A 23 -4.315 -11.967 3.973 1.00 25.00 O ATOM 0 H ASP A 23 -4.592 -9.686 4.267 1.00 25.00 H new ATOM 0 HA ASP A 23 -1.952 -8.781 3.874 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -1.322 -10.951 4.828 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -2.728 -10.351 5.684 1.00 25.00 H new ATOM 330 N ARG A 24 -2.908 -10.985 1.640 1.00 25.00 N ATOM 331 CA ARG A 24 -2.644 -11.513 0.295 1.00 25.00 C ATOM 332 C ARG A 24 -3.077 -10.487 -0.731 1.00 25.00 C ATOM 333 O ARG A 24 -3.049 -10.739 -1.933 1.00 25.00 O ATOM 334 CB ARG A 24 -3.349 -12.824 0.073 1.00 25.00 C ATOM 335 CG ARG A 24 -2.946 -13.913 1.066 1.00 25.00 C ATOM 336 CD ARG A 24 -3.949 -15.052 1.086 1.00 25.00 C ATOM 337 NE ARG A 24 -5.239 -14.633 1.668 1.00 25.00 N ATOM 338 CZ ARG A 24 -5.536 -14.634 2.966 1.00 25.00 C ATOM 339 NH1 ARG A 24 -4.696 -15.031 3.885 1.00 25.00 N ATOM 340 NH2 ARG A 24 -6.715 -14.224 3.343 1.00 25.00 N ATOM 0 H ARG A 24 -3.785 -11.320 2.038 1.00 25.00 H new ATOM 0 HA ARG A 24 -1.576 -11.703 0.191 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -4.425 -12.664 0.140 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -3.141 -13.172 -0.939 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -1.961 -14.299 0.803 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -2.863 -13.483 2.064 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -4.108 -15.414 0.070 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -3.543 -15.884 1.661 1.00 25.00 H new ATOM 0 HE ARG A 24 -5.963 -14.317 1.023 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -3.767 -15.358 3.620 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -4.969 -15.013 4.868 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -7.392 -13.910 2.648 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -6.960 -14.218 4.333 1.00 25.00 H new ATOM 354 N GLY A 25 -3.695 -9.430 -0.234 1.00 25.00 N ATOM 355 CA GLY A 25 -4.345 -8.455 -1.075 1.00 25.00 C ATOM 356 C GLY A 25 -3.444 -7.401 -1.659 1.00 25.00 C ATOM 357 O GLY A 25 -3.943 -6.458 -2.238 1.00 25.00 O ATOM 0 H GLY A 25 -3.757 -9.228 0.764 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -4.840 -8.979 -1.893 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -5.124 -7.961 -0.494 1.00 25.00 H new ATOM 361 N PHE A 26 -2.134 -7.535 -1.544 1.00 25.00 N ATOM 362 CA PHE A 26 -1.232 -6.556 -2.139 1.00 25.00 C ATOM 363 C PHE A 26 0.105 -7.177 -2.484 1.00 25.00 C ATOM 364 O PHE A 26 0.461 -8.237 -1.972 1.00 25.00 O ATOM 365 CB PHE A 26 -1.006 -5.386 -1.174 1.00 25.00 C ATOM 366 CG PHE A 26 -0.206 -5.754 0.057 1.00 25.00 C ATOM 367 CD1 PHE A 26 -0.860 -6.162 1.232 1.00 25.00 C ATOM 368 CD2 PHE A 26 1.202 -5.681 0.056 1.00 25.00 C ATOM 369 CE1 PHE A 26 -0.121 -6.498 2.398 1.00 25.00 C ATOM 370 CE2 PHE A 26 1.947 -6.022 1.218 1.00 25.00 C ATOM 371 CZ PHE A 26 1.280 -6.424 2.385 1.00 25.00 C ATOM 0 H PHE A 26 -1.673 -8.300 -1.052 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.698 -6.195 -3.056 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.491 -4.585 -1.704 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.973 -4.992 -0.863 1.00 25.00 H new ATOM 0 HD1 PHE A 26 -1.938 -6.221 1.249 1.00 25.00 H new ATOM 0 HD2 PHE A 26 1.720 -5.363 -0.837 1.00 25.00 H new ATOM 0 HE1 PHE A 26 -0.637 -6.810 3.294 1.00 25.00 H new ATOM 0 HE2 PHE A 26 3.026 -5.972 1.202 1.00 25.00 H new ATOM 0 HZ PHE A 26 1.844 -6.676 3.271 1.00 25.00 H new ATOM 381 N TYR A 27 0.869 -6.480 -3.312 1.00 25.00 N ATOM 382 CA TYR A 27 2.240 -6.881 -3.611 1.00 25.00 C ATOM 383 C TYR A 27 3.194 -5.703 -3.446 1.00 25.00 C ATOM 384 O TYR A 27 2.876 -4.570 -3.797 1.00 25.00 O ATOM 385 CB TYR A 27 2.339 -7.426 -5.035 1.00 25.00 C ATOM 386 CG TYR A 27 1.531 -8.689 -5.243 1.00 25.00 C ATOM 387 CD1 TYR A 27 1.940 -9.908 -4.660 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.350 -8.678 -6.013 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.180 -11.092 -4.840 1.00 25.00 C ATOM 390 CE2 TYR A 27 -0.409 -9.866 -6.199 1.00 25.00 C ATOM 391 CZ TYR A 27 0.014 -11.059 -5.605 1.00 25.00 C ATOM 392 OH TYR A 27 -0.718 -12.207 -5.769 1.00 25.00 O ATOM 0 H TYR A 27 0.564 -5.632 -3.791 1.00 25.00 H new ATOM 0 HA TYR A 27 2.523 -7.665 -2.908 1.00 25.00 H new ATOM 0 HB2 TYR A 27 1.997 -6.663 -5.735 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.384 -7.627 -5.269 1.00 25.00 H new ATOM 0 HD1 TYR A 27 2.843 -9.939 -4.069 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.018 -7.756 -6.467 1.00 25.00 H new ATOM 0 HE1 TYR A 27 1.503 -12.017 -4.386 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -1.308 -9.847 -6.797 1.00 25.00 H new ATOM 0 HH TYR A 27 -1.502 -12.019 -6.327 1.00 25.00 H new ATOM 402 N PHE A 28 4.386 -5.986 -2.945 1.00 25.00 N ATOM 403 CA PHE A 28 5.435 -4.978 -2.836 1.00 25.00 C ATOM 404 C PHE A 28 6.245 -5.043 -4.120 1.00 25.00 C ATOM 405 O PHE A 28 6.373 -6.102 -4.720 1.00 25.00 O ATOM 406 CB PHE A 28 6.356 -5.285 -1.649 1.00 25.00 C ATOM 407 CG PHE A 28 6.274 -4.273 -0.538 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.166 -4.258 0.322 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.309 -3.337 -0.334 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.087 -3.333 1.390 1.00 25.00 C ATOM 411 CE2 PHE A 28 7.239 -2.400 0.733 1.00 25.00 C ATOM 412 CZ PHE A 28 6.123 -2.405 1.596 1.00 25.00 C ATOM 0 H PHE A 28 4.654 -6.910 -2.605 1.00 25.00 H new ATOM 0 HA PHE A 28 4.997 -3.992 -2.682 1.00 25.00 H new ATOM 0 HB2 PHE A 28 6.105 -6.268 -1.251 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.385 -5.338 -2.004 1.00 25.00 H new ATOM 0 HD1 PHE A 28 4.362 -4.962 0.167 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.163 -3.332 -0.995 1.00 25.00 H new ATOM 0 HE1 PHE A 28 4.230 -3.340 2.047 1.00 25.00 H new ATOM 0 HE2 PHE A 28 8.037 -1.687 0.882 1.00 25.00 H new ATOM 0 HZ PHE A 28 6.065 -1.699 2.411 1.00 25.00 H new ATOM 422 N SER A 29 6.849 -3.929 -4.507 1.00 25.00 N ATOM 423 CA SER A 29 7.675 -3.886 -5.716 1.00 25.00 C ATOM 424 C SER A 29 9.003 -4.608 -5.554 1.00 25.00 C ATOM 425 O SER A 29 9.701 -4.833 -6.536 1.00 25.00 O ATOM 426 CB SER A 29 7.942 -2.435 -6.090 1.00 25.00 C ATOM 427 OG SER A 29 8.633 -1.782 -5.035 1.00 25.00 O ATOM 0 H SER A 29 6.786 -3.042 -4.006 1.00 25.00 H new ATOM 0 HA SER A 29 7.120 -4.400 -6.501 1.00 25.00 H new ATOM 0 HB2 SER A 29 8.532 -2.389 -7.006 1.00 25.00 H new ATOM 0 HB3 SER A 29 7.001 -1.923 -6.291 1.00 25.00 H new ATOM 0 HG SER A 29 9.417 -1.318 -5.396 1.00 25.00 H new ATOM 433 N ARG A 30 9.299 -4.988 -4.310 1.00 25.00 N ATOM 434 CA ARG A 30 10.481 -5.782 -3.923 1.00 25.00 C ATOM 435 C ARG A 30 11.854 -5.117 -4.155 1.00 25.00 C ATOM 436 O ARG A 30 12.146 -4.609 -5.230 1.00 25.00 O ATOM 437 CB ARG A 30 10.442 -7.126 -4.666 1.00 25.00 C ATOM 438 CG ARG A 30 10.741 -8.335 -3.822 1.00 25.00 C ATOM 439 CD ARG A 30 12.226 -8.679 -3.875 1.00 25.00 C ATOM 440 NE ARG A 30 12.559 -9.888 -3.107 1.00 25.00 N ATOM 441 CZ ARG A 30 13.792 -10.270 -2.783 1.00 25.00 C ATOM 442 NH1 ARG A 30 14.852 -9.569 -3.110 1.00 25.00 N ATOM 443 NH2 ARG A 30 13.958 -11.376 -2.113 1.00 25.00 N ATOM 0 H ARG A 30 8.708 -4.747 -3.514 1.00 25.00 H new ATOM 0 HA ARG A 30 10.405 -5.896 -2.842 1.00 25.00 H new ATOM 0 HB2 ARG A 30 9.454 -7.248 -5.110 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.158 -7.090 -5.487 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.443 -8.147 -2.790 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.154 -9.183 -4.173 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.525 -8.820 -4.914 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.803 -7.839 -3.489 1.00 25.00 H new ATOM 0 HE ARG A 30 11.786 -10.479 -2.799 1.00 25.00 H new ATOM 0 HH11 ARG A 30 14.747 -8.698 -3.631 1.00 25.00 H new ATOM 0 HH12 ARG A 30 15.781 -9.895 -2.843 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.149 -11.936 -1.844 1.00 25.00 H new ATOM 0 HH22 ARG A 30 14.897 -11.682 -1.858 1.00 25.00 H new ATOM 457 N PRO A 31 12.733 -5.149 -3.138 1.00 25.00 N ATOM 458 CA PRO A 31 14.072 -4.628 -3.432 1.00 25.00 C ATOM 459 C PRO A 31 14.848 -5.545 -4.371 1.00 25.00 C ATOM 460 O PRO A 31 14.878 -6.770 -4.193 1.00 25.00 O ATOM 461 CB PRO A 31 14.727 -4.559 -2.055 1.00 25.00 C ATOM 462 CG PRO A 31 14.058 -5.648 -1.270 1.00 25.00 C ATOM 463 CD PRO A 31 12.630 -5.662 -1.760 1.00 25.00 C ATOM 0 HA PRO A 31 14.046 -3.667 -3.945 1.00 25.00 H new ATOM 0 HB2 PRO A 31 15.803 -4.718 -2.118 1.00 25.00 H new ATOM 0 HB3 PRO A 31 14.576 -3.584 -1.591 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.542 -6.610 -1.438 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.106 -5.449 -0.199 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.208 -6.667 -1.736 1.00 25.00 H new ATOM 0 HD3 PRO A 31 11.988 -5.032 -1.144 1.00 25.00 H new ATOM 471 N ALA A 32 15.448 -4.946 -5.387 1.00 25.00 N ATOM 472 CA ALA A 32 16.190 -5.674 -6.409 1.00 25.00 C ATOM 473 C ALA A 32 17.053 -4.667 -7.161 1.00 25.00 C ATOM 474 O ALA A 32 16.876 -3.458 -7.006 1.00 25.00 O ATOM 475 CB ALA A 32 15.208 -6.363 -7.386 1.00 25.00 C ATOM 0 H ALA A 32 15.435 -3.936 -5.528 1.00 25.00 H new ATOM 0 HA ALA A 32 16.812 -6.444 -5.953 1.00 25.00 H new ATOM 0 HB1 ALA A 32 15.771 -6.905 -8.146 1.00 25.00 H new ATOM 0 HB2 ALA A 32 14.577 -7.061 -6.836 1.00 25.00 H new ATOM 0 HB3 ALA A 32 14.583 -5.610 -7.865 1.00 25.00 H new ATOM 481 N SER A 33 17.937 -5.164 -8.012 1.00 25.00 N ATOM 482 CA SER A 33 18.724 -4.314 -8.898 1.00 25.00 C ATOM 483 C SER A 33 17.905 -3.980 -10.136 1.00 25.00 C ATOM 484 O SER A 33 16.713 -4.270 -10.179 1.00 25.00 O ATOM 485 CB SER A 33 19.972 -5.044 -9.344 1.00 25.00 C ATOM 486 OG SER A 33 20.441 -5.902 -8.317 1.00 25.00 O ATOM 0 H SER A 33 18.130 -6.161 -8.110 1.00 25.00 H new ATOM 0 HA SER A 33 18.996 -3.406 -8.360 1.00 25.00 H new ATOM 0 HB2 SER A 33 19.759 -5.625 -10.242 1.00 25.00 H new ATOM 0 HB3 SER A 33 20.747 -4.324 -9.606 1.00 25.00 H new ATOM 0 HG SER A 33 21.247 -6.368 -8.623 1.00 25.00 H new ATOM 492 N ARG A 34 18.568 -3.400 -11.145 1.00 25.00 N ATOM 493 CA ARG A 34 17.974 -3.027 -12.443 1.00 25.00 C ATOM 494 C ARG A 34 16.951 -1.906 -12.323 1.00 25.00 C ATOM 495 O ARG A 34 16.422 -1.404 -13.310 1.00 25.00 O ATOM 496 CB ARG A 34 17.357 -4.247 -13.071 1.00 25.00 C ATOM 497 CG ARG A 34 17.394 -4.246 -14.587 1.00 25.00 C ATOM 498 CD ARG A 34 17.000 -5.603 -15.099 1.00 25.00 C ATOM 499 NE ARG A 34 16.990 -5.672 -16.574 1.00 25.00 N ATOM 500 CZ ARG A 34 18.006 -6.066 -17.339 1.00 25.00 C ATOM 501 NH1 ARG A 34 19.162 -6.437 -16.844 1.00 25.00 N ATOM 502 NH2 ARG A 34 17.851 -6.088 -18.634 1.00 25.00 N ATOM 0 H ARG A 34 19.560 -3.169 -11.083 1.00 25.00 H new ATOM 0 HA ARG A 34 18.772 -2.643 -13.078 1.00 25.00 H new ATOM 0 HB2 ARG A 34 17.876 -5.133 -12.706 1.00 25.00 H new ATOM 0 HB3 ARG A 34 16.321 -4.327 -12.743 1.00 25.00 H new ATOM 0 HG2 ARG A 34 16.716 -3.487 -14.977 1.00 25.00 H new ATOM 0 HG3 ARG A 34 18.394 -3.990 -14.937 1.00 25.00 H new ATOM 0 HD2 ARG A 34 17.692 -6.350 -14.709 1.00 25.00 H new ATOM 0 HD3 ARG A 34 16.010 -5.857 -14.720 1.00 25.00 H new ATOM 0 HE ARG A 34 16.131 -5.394 -17.048 1.00 25.00 H new ATOM 0 HH11 ARG A 34 19.310 -6.431 -15.835 1.00 25.00 H new ATOM 0 HH12 ARG A 34 19.913 -6.732 -17.468 1.00 25.00 H new ATOM 0 HH21 ARG A 34 16.962 -5.806 -19.046 1.00 25.00 H new ATOM 0 HH22 ARG A 34 18.619 -6.387 -19.235 1.00 25.00 H new ATOM 516 N VAL A 35 16.702 -1.515 -11.092 1.00 25.00 N ATOM 517 CA VAL A 35 15.780 -0.426 -10.788 1.00 25.00 C ATOM 518 C VAL A 35 16.395 0.899 -11.243 1.00 25.00 C ATOM 519 O VAL A 35 17.611 1.037 -11.317 1.00 25.00 O ATOM 520 CB VAL A 35 15.439 -0.394 -9.277 1.00 25.00 C ATOM 521 CG1 VAL A 35 14.647 -1.656 -8.902 1.00 25.00 C ATOM 522 CG2 VAL A 35 16.717 -0.313 -8.421 1.00 25.00 C ATOM 0 H VAL A 35 17.130 -1.939 -10.269 1.00 25.00 H new ATOM 0 HA VAL A 35 14.846 -0.587 -11.327 1.00 25.00 H new ATOM 0 HB VAL A 35 14.838 0.494 -9.080 1.00 25.00 H new ATOM 0 HG11 VAL A 35 14.408 -1.633 -7.839 1.00 25.00 H new ATOM 0 HG12 VAL A 35 13.724 -1.692 -9.481 1.00 25.00 H new ATOM 0 HG13 VAL A 35 15.247 -2.540 -9.120 1.00 25.00 H new ATOM 0 HG21 VAL A 35 16.447 -0.292 -7.365 1.00 25.00 H new ATOM 0 HG22 VAL A 35 17.343 -1.183 -8.618 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.267 0.594 -8.673 1.00 25.00 H new ATOM 532 N SER A 36 15.543 1.854 -11.585 1.00 25.00 N ATOM 533 CA SER A 36 15.983 3.116 -12.188 1.00 25.00 C ATOM 534 C SER A 36 16.023 4.263 -11.205 1.00 25.00 C ATOM 535 O SER A 36 16.257 5.405 -11.574 1.00 25.00 O ATOM 536 CB SER A 36 15.054 3.476 -13.344 1.00 25.00 C ATOM 537 OG SER A 36 14.743 2.317 -14.099 1.00 25.00 O ATOM 0 H SER A 36 14.534 1.783 -11.456 1.00 25.00 H new ATOM 0 HA SER A 36 17.003 2.961 -12.540 1.00 25.00 H new ATOM 0 HB2 SER A 36 14.138 3.925 -12.959 1.00 25.00 H new ATOM 0 HB3 SER A 36 15.529 4.220 -13.984 1.00 25.00 H new ATOM 0 HG SER A 36 14.145 2.558 -14.837 1.00 25.00 H new ATOM 543 N ARG A 37 15.773 3.919 -9.952 1.00 25.00 N ATOM 544 CA ARG A 37 15.815 4.856 -8.816 1.00 25.00 C ATOM 545 C ARG A 37 14.987 6.130 -9.006 1.00 25.00 C ATOM 546 O ARG A 37 15.320 7.187 -8.483 1.00 25.00 O ATOM 547 CB ARG A 37 17.275 5.206 -8.510 1.00 25.00 C ATOM 548 CG ARG A 37 18.134 3.985 -8.144 1.00 25.00 C ATOM 549 CD ARG A 37 17.701 3.345 -6.806 1.00 25.00 C ATOM 550 NE ARG A 37 17.653 4.322 -5.700 1.00 25.00 N ATOM 551 CZ ARG A 37 18.688 4.713 -4.962 1.00 25.00 C ATOM 552 NH1 ARG A 37 19.900 4.247 -5.140 1.00 25.00 N ATOM 553 NH2 ARG A 37 18.494 5.596 -4.023 1.00 25.00 N ATOM 0 H ARG A 37 15.530 2.966 -9.680 1.00 25.00 H new ATOM 0 HA ARG A 37 15.351 4.342 -7.974 1.00 25.00 H new ATOM 0 HB2 ARG A 37 17.711 5.700 -9.378 1.00 25.00 H new ATOM 0 HB3 ARG A 37 17.304 5.921 -7.688 1.00 25.00 H new ATOM 0 HG2 ARG A 37 18.064 3.243 -8.939 1.00 25.00 H new ATOM 0 HG3 ARG A 37 19.180 4.285 -8.079 1.00 25.00 H new ATOM 0 HD2 ARG A 37 16.718 2.889 -6.926 1.00 25.00 H new ATOM 0 HD3 ARG A 37 18.394 2.544 -6.549 1.00 25.00 H new ATOM 0 HE ARG A 37 16.745 4.734 -5.483 1.00 25.00 H new ATOM 0 HH11 ARG A 37 20.079 3.556 -5.868 1.00 25.00 H new ATOM 0 HH12 ARG A 37 20.664 4.576 -4.550 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.560 5.975 -3.864 1.00 25.00 H new ATOM 0 HH22 ARG A 37 19.276 5.908 -3.447 1.00 25.00 H new ATOM 567 N ARG A 38 13.874 5.995 -9.707 1.00 25.00 N ATOM 568 CA ARG A 38 12.872 7.051 -9.803 1.00 25.00 C ATOM 569 C ARG A 38 11.699 6.375 -9.141 1.00 25.00 C ATOM 570 O ARG A 38 11.588 5.162 -9.271 1.00 25.00 O ATOM 571 CB ARG A 38 12.547 7.410 -11.257 1.00 25.00 C ATOM 572 CG ARG A 38 13.739 7.962 -12.036 1.00 25.00 C ATOM 573 CD ARG A 38 13.287 8.689 -13.303 1.00 25.00 C ATOM 574 NE ARG A 38 12.540 7.807 -14.219 1.00 25.00 N ATOM 575 CZ ARG A 38 11.999 8.183 -15.375 1.00 25.00 C ATOM 576 NH1 ARG A 38 12.097 9.409 -15.829 1.00 25.00 N ATOM 577 NH2 ARG A 38 11.347 7.307 -16.088 1.00 25.00 N ATOM 0 H ARG A 38 13.636 5.150 -10.227 1.00 25.00 H new ATOM 0 HA ARG A 38 13.178 7.997 -9.356 1.00 25.00 H new ATOM 0 HB2 ARG A 38 12.172 6.522 -11.766 1.00 25.00 H new ATOM 0 HB3 ARG A 38 11.744 8.147 -11.269 1.00 25.00 H new ATOM 0 HG2 ARG A 38 14.304 8.647 -11.403 1.00 25.00 H new ATOM 0 HG3 ARG A 38 14.411 7.146 -12.302 1.00 25.00 H new ATOM 0 HD2 ARG A 38 12.661 9.538 -13.028 1.00 25.00 H new ATOM 0 HD3 ARG A 38 14.159 9.090 -13.819 1.00 25.00 H new ATOM 0 HE ARG A 38 12.429 6.831 -13.944 1.00 25.00 H new ATOM 0 HH11 ARG A 38 12.602 10.113 -15.291 1.00 25.00 H new ATOM 0 HH12 ARG A 38 11.668 9.659 -16.720 1.00 25.00 H new ATOM 0 HH21 ARG A 38 11.256 6.346 -15.758 1.00 25.00 H new ATOM 0 HH22 ARG A 38 10.928 7.583 -16.976 1.00 25.00 H new ATOM 591 N SER A 39 10.871 7.122 -8.426 1.00 25.00 N ATOM 592 CA SER A 39 9.762 6.535 -7.670 1.00 25.00 C ATOM 593 C SER A 39 8.881 5.637 -8.530 1.00 25.00 C ATOM 594 O SER A 39 8.207 6.102 -9.445 1.00 25.00 O ATOM 595 CB SER A 39 8.917 7.637 -7.032 1.00 25.00 C ATOM 596 OG SER A 39 9.736 8.486 -6.236 1.00 25.00 O ATOM 0 H SER A 39 10.942 8.137 -8.350 1.00 25.00 H new ATOM 0 HA SER A 39 10.201 5.910 -6.892 1.00 25.00 H new ATOM 0 HB2 SER A 39 8.422 8.221 -7.808 1.00 25.00 H new ATOM 0 HB3 SER A 39 8.133 7.194 -6.417 1.00 25.00 H new ATOM 0 HG SER A 39 9.331 8.594 -5.350 1.00 25.00 H new ATOM 602 N ARG A 40 8.950 4.339 -8.254 1.00 25.00 N ATOM 603 CA ARG A 40 8.232 3.326 -9.040 1.00 25.00 C ATOM 604 C ARG A 40 7.607 2.224 -8.216 1.00 25.00 C ATOM 605 O ARG A 40 6.869 1.382 -8.715 1.00 25.00 O ATOM 606 CB ARG A 40 9.207 2.682 -9.998 1.00 25.00 C ATOM 607 CG ARG A 40 10.353 1.880 -9.343 1.00 25.00 C ATOM 608 CD ARG A 40 10.735 0.680 -10.184 1.00 25.00 C ATOM 609 NE ARG A 40 9.601 -0.252 -10.336 1.00 25.00 N ATOM 610 CZ ARG A 40 9.616 -1.376 -11.044 1.00 25.00 C ATOM 611 NH1 ARG A 40 10.684 -1.785 -11.691 1.00 25.00 N ATOM 612 NH2 ARG A 40 8.535 -2.099 -11.106 1.00 25.00 N ATOM 0 H ARG A 40 9.500 3.955 -7.485 1.00 25.00 H new ATOM 0 HA ARG A 40 7.420 3.851 -9.543 1.00 25.00 H new ATOM 0 HB2 ARG A 40 8.653 2.016 -10.659 1.00 25.00 H new ATOM 0 HB3 ARG A 40 9.643 3.461 -10.623 1.00 25.00 H new ATOM 0 HG2 ARG A 40 11.222 2.525 -9.210 1.00 25.00 H new ATOM 0 HG3 ARG A 40 10.047 1.549 -8.351 1.00 25.00 H new ATOM 0 HD2 ARG A 40 11.068 1.013 -11.167 1.00 25.00 H new ATOM 0 HD3 ARG A 40 11.575 0.162 -9.721 1.00 25.00 H new ATOM 0 HE ARG A 40 8.733 -0.013 -9.857 1.00 25.00 H new ATOM 0 HH11 ARG A 40 11.541 -1.233 -11.660 1.00 25.00 H new ATOM 0 HH12 ARG A 40 10.656 -2.654 -12.224 1.00 25.00 H new ATOM 0 HH21 ARG A 40 7.692 -1.800 -10.615 1.00 25.00 H new ATOM 0 HH22 ARG A 40 8.531 -2.965 -11.646 1.00 25.00 H new ATOM 626 N GLY A 41 8.041 2.175 -6.979 1.00 25.00 N ATOM 627 CA GLY A 41 7.574 1.180 -6.028 1.00 25.00 C ATOM 628 C GLY A 41 6.874 1.814 -4.847 1.00 25.00 C ATOM 629 O GLY A 41 7.091 2.980 -4.557 1.00 25.00 O ATOM 0 H GLY A 41 8.730 2.823 -6.597 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.892 0.492 -6.528 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.420 0.590 -5.675 1.00 25.00 H new ATOM 633 N ILE A 42 6.067 1.028 -4.150 1.00 25.00 N ATOM 634 CA ILE A 42 5.248 1.513 -3.029 1.00 25.00 C ATOM 635 C ILE A 42 6.054 2.217 -1.917 1.00 25.00 C ATOM 636 O ILE A 42 5.640 3.240 -1.394 1.00 25.00 O ATOM 637 CB ILE A 42 4.365 0.334 -2.455 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.350 0.843 -1.420 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.229 -0.789 -1.831 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.139 1.521 -2.018 1.00 25.00 C ATOM 0 H ILE A 42 5.955 0.032 -4.340 1.00 25.00 H new ATOM 0 HA ILE A 42 4.596 2.288 -3.431 1.00 25.00 H new ATOM 0 HB ILE A 42 3.823 -0.084 -3.303 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.017 0.003 -0.811 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.851 1.543 -0.751 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.580 -1.578 -1.450 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.894 -1.201 -2.590 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.822 -0.380 -1.013 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.474 1.850 -1.219 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.457 2.384 -2.603 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.611 0.819 -2.664 1.00 25.00 H new ATOM 652 N VAL A 43 7.235 1.723 -1.581 1.00 25.00 N ATOM 653 CA VAL A 43 8.038 2.369 -0.539 1.00 25.00 C ATOM 654 C VAL A 43 8.610 3.701 -1.049 1.00 25.00 C ATOM 655 O VAL A 43 8.848 4.634 -0.296 1.00 25.00 O ATOM 656 CB VAL A 43 9.168 1.409 -0.037 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.228 1.146 -1.127 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.825 1.958 1.221 1.00 25.00 C ATOM 0 H VAL A 43 7.658 0.895 -2.000 1.00 25.00 H new ATOM 0 HA VAL A 43 7.394 2.590 0.312 1.00 25.00 H new ATOM 0 HB VAL A 43 8.697 0.455 0.201 1.00 25.00 H new ATOM 0 HG11 VAL A 43 10.993 0.475 -0.736 1.00 25.00 H new ATOM 0 HG12 VAL A 43 9.752 0.688 -1.994 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.688 2.089 -1.422 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.607 1.274 1.551 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.262 2.933 1.007 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.077 2.061 2.007 1.00 25.00 H new ATOM 668 N GLU A 44 8.810 3.792 -2.348 1.00 25.00 N ATOM 669 CA GLU A 44 9.415 4.965 -2.958 1.00 25.00 C ATOM 670 C GLU A 44 8.440 6.124 -3.086 1.00 25.00 C ATOM 671 O GLU A 44 8.835 7.288 -3.078 1.00 25.00 O ATOM 672 CB GLU A 44 9.938 4.578 -4.324 1.00 25.00 C ATOM 673 CG GLU A 44 11.428 4.748 -4.451 1.00 25.00 C ATOM 674 CD GLU A 44 11.933 4.267 -5.813 1.00 25.00 C ATOM 675 OE1 GLU A 44 11.132 3.614 -6.534 1.00 25.00 O ATOM 676 OE2 GLU A 44 13.116 4.499 -6.156 1.00 25.00 O ATOM 0 H GLU A 44 8.560 3.059 -3.011 1.00 25.00 H new ATOM 0 HA GLU A 44 10.225 5.306 -2.313 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.678 3.539 -4.526 1.00 25.00 H new ATOM 0 HB3 GLU A 44 9.442 5.184 -5.082 1.00 25.00 H new ATOM 0 HG2 GLU A 44 11.688 5.798 -4.315 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.928 4.191 -3.659 1.00 25.00 H new ATOM 683 N GLU A 45 7.165 5.805 -3.189 1.00 25.00 N ATOM 684 CA GLU A 45 6.124 6.821 -3.274 1.00 25.00 C ATOM 685 C GLU A 45 5.538 7.136 -1.895 1.00 25.00 C ATOM 686 O GLU A 45 5.128 8.254 -1.656 1.00 25.00 O ATOM 687 CB GLU A 45 5.017 6.356 -4.222 1.00 25.00 C ATOM 688 CG GLU A 45 4.406 5.054 -3.794 1.00 25.00 C ATOM 689 CD GLU A 45 3.475 4.477 -4.799 1.00 25.00 C ATOM 690 OE1 GLU A 45 3.864 4.289 -5.977 1.00 25.00 O ATOM 691 OE2 GLU A 45 2.364 4.128 -4.390 1.00 25.00 O ATOM 0 H GLU A 45 6.819 4.846 -3.216 1.00 25.00 H new ATOM 0 HA GLU A 45 6.574 7.734 -3.664 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.241 7.119 -4.272 1.00 25.00 H new ATOM 0 HB3 GLU A 45 5.424 6.250 -5.227 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.202 4.337 -3.594 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.869 5.204 -2.857 1.00 25.00 H new ATOM 698 N CYS A 46 5.499 6.163 -0.990 1.00 25.00 N ATOM 699 CA CYS A 46 4.888 6.382 0.320 1.00 25.00 C ATOM 700 C CYS A 46 5.855 6.772 1.426 1.00 25.00 C ATOM 701 O CYS A 46 5.442 7.438 2.362 1.00 25.00 O ATOM 702 CB CYS A 46 4.123 5.138 0.768 1.00 25.00 C ATOM 703 SG CYS A 46 2.646 4.774 -0.236 1.00 25.00 S ATOM 0 H CYS A 46 5.877 5.227 -1.134 1.00 25.00 H new ATOM 0 HA CYS A 46 4.223 7.232 0.170 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.794 4.280 0.733 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.821 5.265 1.808 1.00 25.00 H new ATOM 708 N CYS A 47 7.114 6.354 1.335 1.00 25.00 N ATOM 709 CA CYS A 47 8.107 6.654 2.381 1.00 25.00 C ATOM 710 C CYS A 47 9.174 7.653 1.918 1.00 25.00 C ATOM 711 O CYS A 47 9.463 8.616 2.616 1.00 25.00 O ATOM 712 CB CYS A 47 8.776 5.359 2.849 1.00 25.00 C ATOM 713 SG CYS A 47 9.995 5.599 4.181 1.00 25.00 S ATOM 0 H CYS A 47 7.477 5.808 0.554 1.00 25.00 H new ATOM 0 HA CYS A 47 7.570 7.120 3.207 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.007 4.668 3.194 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.269 4.888 1.999 1.00 25.00 H new ATOM 718 N PHE A 48 9.756 7.441 0.741 1.00 25.00 N ATOM 719 CA PHE A 48 10.747 8.396 0.213 1.00 25.00 C ATOM 720 C PHE A 48 10.020 9.663 -0.245 1.00 25.00 C ATOM 721 O PHE A 48 10.546 10.770 -0.159 1.00 25.00 O ATOM 722 CB PHE A 48 11.545 7.792 -0.943 1.00 25.00 C ATOM 723 CG PHE A 48 12.553 6.758 -0.510 1.00 25.00 C ATOM 724 CD1 PHE A 48 12.196 5.399 -0.411 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.872 7.139 -0.203 1.00 25.00 C ATOM 726 CE1 PHE A 48 13.143 4.426 -0.023 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.832 6.172 0.194 1.00 25.00 C ATOM 728 CZ PHE A 48 14.464 4.813 0.283 1.00 25.00 C ATOM 0 H PHE A 48 9.570 6.638 0.140 1.00 25.00 H new ATOM 0 HA PHE A 48 11.456 8.640 1.004 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.853 7.337 -1.652 1.00 25.00 H new ATOM 0 HB3 PHE A 48 12.063 8.592 -1.472 1.00 25.00 H new ATOM 0 HD1 PHE A 48 11.184 5.097 -0.635 1.00 25.00 H new ATOM 0 HD2 PHE A 48 14.157 8.179 -0.270 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.856 3.387 0.039 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.842 6.476 0.427 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.190 4.073 0.584 1.00 25.00 H new ATOM 738 N ARG A 49 8.781 9.479 -0.671 1.00 25.00 N ATOM 739 CA ARG A 49 7.839 10.584 -0.900 1.00 25.00 C ATOM 740 C ARG A 49 6.689 10.323 0.065 1.00 25.00 C ATOM 741 O ARG A 49 6.822 9.498 0.939 1.00 25.00 O ATOM 742 CB ARG A 49 7.340 10.588 -2.346 1.00 25.00 C ATOM 743 CG ARG A 49 8.381 10.974 -3.344 1.00 25.00 C ATOM 744 CD ARG A 49 7.799 10.905 -4.745 1.00 25.00 C ATOM 745 NE ARG A 49 8.798 11.273 -5.760 1.00 25.00 N ATOM 746 CZ ARG A 49 9.024 12.504 -6.207 1.00 25.00 C ATOM 747 NH1 ARG A 49 8.349 13.545 -5.780 1.00 25.00 N ATOM 748 NH2 ARG A 49 9.951 12.691 -7.103 1.00 25.00 N ATOM 0 H ARG A 49 8.390 8.558 -0.871 1.00 25.00 H new ATOM 0 HA ARG A 49 8.304 11.556 -0.735 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.964 9.595 -2.593 1.00 25.00 H new ATOM 0 HB3 ARG A 49 6.499 11.277 -2.428 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.739 11.983 -3.138 1.00 25.00 H new ATOM 0 HG3 ARG A 49 9.240 10.308 -3.264 1.00 25.00 H new ATOM 0 HD2 ARG A 49 7.435 9.896 -4.940 1.00 25.00 H new ATOM 0 HD3 ARG A 49 6.941 11.573 -4.818 1.00 25.00 H new ATOM 0 HE ARG A 49 9.364 10.521 -6.153 1.00 25.00 H new ATOM 0 HH11 ARG A 49 7.618 13.426 -5.078 1.00 25.00 H new ATOM 0 HH12 ARG A 49 8.555 14.473 -6.150 1.00 25.00 H new ATOM 0 HH21 ARG A 49 10.491 11.899 -7.451 1.00 25.00 H new ATOM 0 HH22 ARG A 49 10.137 13.630 -7.456 1.00 25.00 H new ATOM 762 N SER A 50 5.558 10.979 -0.130 1.00 25.00 N ATOM 763 CA SER A 50 4.330 10.638 0.593 1.00 25.00 C ATOM 764 C SER A 50 3.289 10.300 -0.463 1.00 25.00 C ATOM 765 O SER A 50 3.330 10.857 -1.562 1.00 25.00 O ATOM 766 CB SER A 50 3.853 11.802 1.457 1.00 25.00 C ATOM 767 OG SER A 50 4.744 12.010 2.536 1.00 25.00 O ATOM 0 H SER A 50 5.458 11.755 -0.784 1.00 25.00 H new ATOM 0 HA SER A 50 4.502 9.799 1.267 1.00 25.00 H new ATOM 0 HB2 SER A 50 3.784 12.707 0.854 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.853 11.595 1.837 1.00 25.00 H new ATOM 0 HG SER A 50 5.442 12.643 2.266 1.00 25.00 H new ATOM 773 N CYS A 51 2.388 9.381 -0.141 1.00 25.00 N ATOM 774 CA CYS A 51 1.391 8.895 -1.090 1.00 25.00 C ATOM 775 C CYS A 51 -0.018 9.086 -0.539 1.00 25.00 C ATOM 776 O CYS A 51 -0.198 9.319 0.662 1.00 25.00 O ATOM 777 CB CYS A 51 1.638 7.408 -1.364 1.00 25.00 C ATOM 778 SG CYS A 51 1.421 6.356 0.109 1.00 25.00 S ATOM 0 H CYS A 51 2.326 8.952 0.782 1.00 25.00 H new ATOM 0 HA CYS A 51 1.480 9.464 -2.015 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.956 7.072 -2.145 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.650 7.280 -1.747 1.00 25.00 H new ATOM 783 N ASP A 52 -1.001 8.971 -1.424 1.00 25.00 N ATOM 784 CA ASP A 52 -2.419 9.082 -1.075 1.00 25.00 C ATOM 785 C ASP A 52 -3.042 7.693 -1.033 1.00 25.00 C ATOM 786 O ASP A 52 -2.551 6.768 -1.676 1.00 25.00 O ATOM 787 CB ASP A 52 -3.161 9.910 -2.129 1.00 25.00 C ATOM 788 CG ASP A 52 -2.984 11.401 -1.928 1.00 25.00 C ATOM 789 OD1 ASP A 52 -3.363 11.899 -0.848 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.520 12.080 -2.864 1.00 25.00 O ATOM 0 H ASP A 52 -0.838 8.796 -2.416 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.500 9.566 -0.102 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.801 9.635 -3.121 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.223 9.666 -2.096 1.00 25.00 H new ATOM 795 N LEU A 53 -4.158 7.564 -0.328 1.00 25.00 N ATOM 796 CA LEU A 53 -4.867 6.284 -0.212 1.00 25.00 C ATOM 797 C LEU A 53 -5.320 5.735 -1.569 1.00 25.00 C ATOM 798 O LEU A 53 -5.262 4.537 -1.810 1.00 25.00 O ATOM 799 CB LEU A 53 -6.102 6.471 0.676 1.00 25.00 C ATOM 800 CG LEU A 53 -6.834 5.178 1.074 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.086 4.457 2.190 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.252 5.512 1.511 1.00 25.00 C ATOM 0 H LEU A 53 -4.599 8.332 0.178 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.170 5.567 0.222 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -5.799 6.991 1.585 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -6.806 7.121 0.157 1.00 25.00 H new ATOM 0 HG LEU A 53 -6.873 4.512 0.212 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -6.621 3.545 2.456 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.082 4.203 1.850 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.020 5.107 3.063 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -8.771 4.596 1.793 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.220 6.189 2.365 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -8.783 5.991 0.688 1.00 25.00 H new ATOM 814 N ALA A 54 -5.763 6.617 -2.454 1.00 25.00 N ATOM 815 CA ALA A 54 -6.233 6.199 -3.776 1.00 25.00 C ATOM 816 C ALA A 54 -5.102 5.555 -4.565 1.00 25.00 C ATOM 817 O ALA A 54 -5.295 4.538 -5.213 1.00 25.00 O ATOM 818 CB ALA A 54 -6.793 7.406 -4.536 1.00 25.00 C ATOM 0 H ALA A 54 -5.809 7.622 -2.286 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.026 5.462 -3.650 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.141 7.088 -5.519 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.626 7.833 -3.977 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.011 8.157 -4.653 1.00 25.00 H new ATOM 824 N LEU A 55 -3.920 6.144 -4.479 1.00 25.00 N ATOM 825 CA LEU A 55 -2.744 5.598 -5.140 1.00 25.00 C ATOM 826 C LEU A 55 -2.404 4.259 -4.492 1.00 25.00 C ATOM 827 O LEU A 55 -2.200 3.264 -5.171 1.00 25.00 O ATOM 828 CB LEU A 55 -1.584 6.594 -5.010 1.00 25.00 C ATOM 829 CG LEU A 55 -0.145 6.055 -5.063 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.123 5.191 -6.291 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.816 7.231 -5.025 1.00 25.00 C ATOM 0 H LEU A 55 -3.749 7.003 -3.956 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.932 5.436 -6.201 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.691 7.333 -5.804 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.705 7.123 -4.065 1.00 25.00 H new ATOM 0 HG LEU A 55 0.003 5.408 -4.198 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.155 4.841 -6.271 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.551 4.334 -6.287 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.043 5.780 -7.193 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.842 6.864 -5.062 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.632 7.879 -5.881 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.665 7.794 -4.104 1.00 25.00 H new ATOM 843 N LEU A 56 -2.401 4.224 -3.174 1.00 25.00 N ATOM 844 CA LEU A 56 -2.079 3.004 -2.443 1.00 25.00 C ATOM 845 C LEU A 56 -2.986 1.831 -2.833 1.00 25.00 C ATOM 846 O LEU A 56 -2.534 0.694 -2.956 1.00 25.00 O ATOM 847 CB LEU A 56 -2.163 3.297 -0.945 1.00 25.00 C ATOM 848 CG LEU A 56 -1.313 2.371 -0.079 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.792 3.140 1.114 1.00 25.00 C ATOM 850 CD2 LEU A 56 -2.094 1.176 0.415 1.00 25.00 C ATOM 0 H LEU A 56 -2.618 5.026 -2.582 1.00 25.00 H new ATOM 0 HA LEU A 56 -1.067 2.697 -2.705 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.853 4.327 -0.769 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.203 3.219 -0.628 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.492 2.006 -0.697 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.184 2.481 1.734 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.184 3.977 0.770 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.631 3.517 1.699 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.448 0.546 1.026 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.940 1.516 1.012 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.459 0.602 -0.437 1.00 25.00 H new ATOM 862 N GLU A 57 -4.249 2.123 -3.100 1.00 25.00 N ATOM 863 CA GLU A 57 -5.214 1.107 -3.515 1.00 25.00 C ATOM 864 C GLU A 57 -4.863 0.444 -4.851 1.00 25.00 C ATOM 865 O GLU A 57 -5.298 -0.666 -5.132 1.00 25.00 O ATOM 866 CB GLU A 57 -6.605 1.747 -3.601 1.00 25.00 C ATOM 867 CG GLU A 57 -7.744 0.742 -3.685 1.00 25.00 C ATOM 868 CD GLU A 57 -9.090 1.382 -3.508 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.508 2.257 -4.215 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.771 0.891 -2.519 1.00 25.00 O ATOM 0 H GLU A 57 -4.636 3.064 -3.037 1.00 25.00 H new ATOM 0 HA GLU A 57 -5.193 0.316 -2.765 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.757 2.381 -2.727 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.642 2.396 -4.476 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.709 0.238 -4.651 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.606 -0.023 -2.921 1.00 25.00 H new ATOM 878 N THR A 58 -4.069 1.106 -5.676 1.00 25.00 N ATOM 879 CA THR A 58 -3.717 0.555 -6.985 1.00 25.00 C ATOM 880 C THR A 58 -2.719 -0.603 -6.877 1.00 25.00 C ATOM 881 O THR A 58 -2.614 -1.420 -7.784 1.00 25.00 O ATOM 882 CB THR A 58 -3.183 1.648 -7.933 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.887 2.077 -7.513 1.00 25.00 O ATOM 884 CG2 THR A 58 -4.130 2.862 -7.934 1.00 25.00 C ATOM 0 H THR A 58 -3.657 2.016 -5.471 1.00 25.00 H new ATOM 0 HA THR A 58 -4.637 0.154 -7.411 1.00 25.00 H new ATOM 0 HB THR A 58 -3.123 1.228 -8.937 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.971 2.635 -6.712 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.741 3.626 -8.607 1.00 25.00 H new ATOM 0 HG22 THR A 58 -5.119 2.551 -8.270 1.00 25.00 H new ATOM 0 HG23 THR A 58 -4.201 3.269 -6.925 1.00 25.00 H new ATOM 892 N TYR A 59 -2.025 -0.699 -5.745 1.00 25.00 N ATOM 893 CA TYR A 59 -1.090 -1.807 -5.486 1.00 25.00 C ATOM 894 C TYR A 59 -1.815 -3.055 -4.979 1.00 25.00 C ATOM 895 O TYR A 59 -1.179 -4.064 -4.632 1.00 25.00 O ATOM 896 CB TYR A 59 -0.034 -1.384 -4.462 1.00 25.00 C ATOM 897 CG TYR A 59 1.080 -0.577 -5.078 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.298 -1.193 -5.441 1.00 25.00 C ATOM 899 CD2 TYR A 59 0.929 0.802 -5.317 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.351 -0.434 -6.023 1.00 25.00 C ATOM 901 CE2 TYR A 59 1.971 1.551 -5.905 1.00 25.00 C ATOM 902 CZ TYR A 59 3.175 0.934 -6.241 1.00 25.00 C ATOM 903 OH TYR A 59 4.190 1.681 -6.779 1.00 25.00 O ATOM 0 H TYR A 59 -2.089 -0.022 -4.985 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.609 -2.052 -6.433 1.00 25.00 H new ATOM 0 HB2 TYR A 59 -0.510 -0.798 -3.676 1.00 25.00 H new ATOM 0 HB3 TYR A 59 0.384 -2.272 -3.989 1.00 25.00 H new ATOM 0 HD1 TYR A 59 2.431 -2.252 -5.275 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.005 1.293 -5.047 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.280 -0.913 -6.294 1.00 25.00 H new ATOM 0 HE2 TYR A 59 1.835 2.605 -6.095 1.00 25.00 H new ATOM 0 HH TYR A 59 4.005 2.633 -6.640 1.00 25.00 H new ATOM 913 N CYS A 60 -3.138 -2.994 -4.949 1.00 25.00 N ATOM 914 CA CYS A 60 -3.943 -4.137 -4.548 1.00 25.00 C ATOM 915 C CYS A 60 -3.694 -5.284 -5.516 1.00 25.00 C ATOM 916 O CYS A 60 -3.510 -5.086 -6.718 1.00 25.00 O ATOM 917 CB CYS A 60 -5.428 -3.784 -4.575 1.00 25.00 C ATOM 918 SG CYS A 60 -6.535 -4.980 -3.762 1.00 25.00 S ATOM 0 H CYS A 60 -3.677 -2.164 -5.198 1.00 25.00 H new ATOM 0 HA CYS A 60 -3.664 -4.424 -3.534 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.561 -2.812 -4.100 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.739 -3.676 -5.614 1.00 25.00 H new ATOM 923 N ALA A 61 -3.710 -6.487 -4.983 1.00 25.00 N ATOM 924 CA ALA A 61 -3.537 -7.679 -5.776 1.00 25.00 C ATOM 925 C ALA A 61 -4.661 -7.804 -6.795 1.00 25.00 C ATOM 926 O ALA A 61 -5.801 -7.407 -6.544 1.00 25.00 O ATOM 927 CB ALA A 61 -3.516 -8.878 -4.886 1.00 25.00 C ATOM 0 H ALA A 61 -3.844 -6.663 -3.987 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.589 -7.613 -6.311 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -3.385 -9.777 -5.489 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -2.691 -8.792 -4.179 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -4.457 -8.942 -4.339 1.00 25.00 H new ATOM 933 N THR A 62 -4.297 -8.411 -7.919 1.00 25.00 N ATOM 934 CA THR A 62 -5.145 -8.614 -9.107 1.00 25.00 C ATOM 935 C THR A 62 -5.468 -7.275 -9.805 1.00 25.00 C ATOM 936 O THR A 62 -5.776 -6.273 -9.163 1.00 25.00 O ATOM 937 CB THR A 62 -6.450 -9.455 -8.847 1.00 25.00 C ATOM 938 OG1 THR A 62 -7.395 -8.705 -8.087 1.00 25.00 O ATOM 939 CG2 THR A 62 -6.137 -10.741 -8.091 1.00 25.00 C ATOM 0 H THR A 62 -3.360 -8.796 -8.041 1.00 25.00 H new ATOM 0 HA THR A 62 -4.544 -9.225 -9.781 1.00 25.00 H new ATOM 0 HB THR A 62 -6.870 -9.700 -9.823 1.00 25.00 H new ATOM 0 HG1 THR A 62 -6.933 -7.982 -7.612 1.00 25.00 H new ATOM 0 HG21 THR A 62 -7.058 -11.300 -7.927 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.444 -11.347 -8.675 1.00 25.00 H new ATOM 0 HG23 THR A 62 -5.684 -10.497 -7.130 1.00 25.00 H new ATOM 947 N PRO A 63 -5.367 -7.242 -11.144 1.00 25.00 N ATOM 948 CA PRO A 63 -5.577 -5.984 -11.877 1.00 25.00 C ATOM 949 C PRO A 63 -6.998 -5.451 -11.740 1.00 25.00 C ATOM 950 O PRO A 63 -7.894 -6.158 -11.286 1.00 25.00 O ATOM 951 CB PRO A 63 -5.255 -6.374 -13.325 1.00 25.00 C ATOM 952 CG PRO A 63 -5.539 -7.835 -13.386 1.00 25.00 C ATOM 953 CD PRO A 63 -5.044 -8.347 -12.061 1.00 25.00 C ATOM 0 HA PRO A 63 -4.957 -5.172 -11.497 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -5.871 -5.819 -14.033 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -4.215 -6.160 -13.572 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -6.603 -8.031 -13.520 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -5.020 -8.310 -14.219 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -5.544 -9.272 -11.772 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -3.974 -8.556 -12.082 1.00 25.00 H new ATOM 961 N ALA A 64 -7.195 -4.191 -12.110 1.00 25.00 N ATOM 962 CA ALA A 64 -8.500 -3.552 -11.989 1.00 25.00 C ATOM 963 C ALA A 64 -9.555 -4.334 -12.779 1.00 25.00 C ATOM 964 O ALA A 64 -9.327 -4.747 -13.915 1.00 25.00 O ATOM 965 CB ALA A 64 -8.419 -2.103 -12.474 1.00 25.00 C ATOM 0 H ALA A 64 -6.467 -3.591 -12.497 1.00 25.00 H new ATOM 0 HA ALA A 64 -8.797 -3.550 -10.940 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -9.398 -1.633 -12.380 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -7.695 -1.557 -11.870 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -8.107 -2.086 -13.518 1.00 25.00 H new ATOM 971 N LYS A 65 -10.699 -4.548 -12.149 1.00 25.00 N ATOM 972 CA LYS A 65 -11.784 -5.343 -12.717 1.00 25.00 C ATOM 973 C LYS A 65 -12.999 -4.455 -12.910 1.00 25.00 C ATOM 974 O LYS A 65 -13.167 -3.482 -12.189 1.00 25.00 O ATOM 975 CB LYS A 65 -12.126 -6.526 -11.785 1.00 25.00 C ATOM 976 CG LYS A 65 -12.031 -6.230 -10.260 1.00 25.00 C ATOM 977 CD LYS A 65 -10.711 -6.762 -9.659 1.00 25.00 C ATOM 978 CE LYS A 65 -10.080 -5.772 -8.660 1.00 25.00 C ATOM 979 NZ LYS A 65 -8.655 -6.146 -8.323 1.00 25.00 N ATOM 0 H LYS A 65 -10.905 -4.174 -11.223 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.473 -5.748 -13.680 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -13.139 -6.861 -12.009 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -11.457 -7.354 -12.018 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.101 -5.155 -10.092 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -12.876 -6.688 -9.746 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -10.900 -7.711 -9.156 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -10.003 -6.963 -10.463 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -10.102 -4.767 -9.081 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -10.675 -5.748 -7.747 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -8.367 -5.664 -7.447 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -8.588 -7.175 -8.190 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -8.027 -5.856 -9.100 1.00 25.00 H new ATOM 993 N SER A 66 -13.826 -4.801 -13.894 1.00 25.00 N ATOM 994 CA SER A 66 -15.058 -4.060 -14.213 1.00 25.00 C ATOM 995 C SER A 66 -14.820 -2.557 -14.401 1.00 25.00 C ATOM 996 O SER A 66 -15.555 -1.721 -13.891 1.00 25.00 O ATOM 997 CB SER A 66 -16.111 -4.292 -13.120 1.00 25.00 C ATOM 998 OG SER A 66 -17.389 -3.861 -13.554 1.00 25.00 O ATOM 0 H SER A 66 -13.665 -5.606 -14.499 1.00 25.00 H new ATOM 0 HA SER A 66 -15.420 -4.446 -15.166 1.00 25.00 H new ATOM 0 HB2 SER A 66 -16.147 -5.350 -12.862 1.00 25.00 H new ATOM 0 HB3 SER A 66 -15.828 -3.753 -12.216 1.00 25.00 H new ATOM 0 HG SER A 66 -17.348 -2.914 -13.803 1.00 25.00 H new ATOM 1004 N GLU A 67 -13.778 -2.210 -15.165 1.00 25.00 N ATOM 1005 CA GLU A 67 -13.426 -0.797 -15.417 1.00 25.00 C ATOM 1006 C GLU A 67 -14.501 -0.028 -16.199 1.00 25.00 C ATOM 1007 O GLU A 67 -15.049 -0.708 -17.167 1.00 25.00 O ATOM 1008 CB GLU A 67 -12.065 -0.689 -16.132 1.00 25.00 C ATOM 1009 CG GLU A 67 -10.920 -1.187 -15.232 1.00 25.00 C ATOM 1010 CD GLU A 67 -9.601 -1.033 -15.943 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -9.302 -1.617 -16.954 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -8.798 -0.199 -15.380 1.00 25.00 O ATOM 0 H GLU A 67 -13.161 -2.882 -15.621 1.00 25.00 H new ATOM 0 HA GLU A 67 -13.359 -0.326 -14.436 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -12.088 -1.273 -17.052 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -11.882 0.347 -16.417 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -10.908 -0.623 -14.300 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -11.081 -2.233 -14.970 1.00 25.00 H new TER 1019 GLU A 67