USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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+ 146:sc= 0.314 (180deg=0.0168) USER MOD Single : A 2 TYR OH : rot -105:sc= 0.0617 USER MOD Single : A 5 SER OG : rot 37:sc= 1.21 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 16 THR OG1 : rot 176:sc= 0.906 USER MOD Single : A 18 GLN : amide:sc= 0.806 K(o=0.81,f=-0.00018) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0314 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 36 SER OG : rot -74:sc= 0.829 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -89:sc= 1.11 USER MOD Single : A 58 THR OG1 : rot -17:sc= 0.441 USER MOD Single : A 59 TYR OH : rot -140:sc= 0.504 USER MOD Single : A 62 THR OG1 : rot 180:sc= 1.05 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 3.003 -13.027 7.025 1.00 0.00 N ATOM 2 CA ALA A 1 3.650 -12.684 8.327 1.00 0.00 C ATOM 3 C ALA A 1 4.690 -11.637 7.927 1.00 0.00 C ATOM 4 O ALA A 1 5.140 -11.699 6.803 1.00 0.00 O ATOM 5 CB ALA A 1 4.339 -13.930 8.936 1.00 0.00 C ATOM 0 H1 ALA A 1 2.736 -14.032 7.024 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.153 -12.443 6.895 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.670 -12.846 6.248 1.00 0.00 H new ATOM 0 HA ALA A 1 2.946 -12.329 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.805 -13.661 9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.597 -14.710 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.101 -14.297 8.248 1.00 0.00 H new ATOM 13 N TYR A 2 5.036 -10.731 8.807 1.00 0.00 N ATOM 14 CA TYR A 2 6.048 -9.689 8.447 1.00 0.00 C ATOM 15 C TYR A 2 7.284 -9.842 9.346 1.00 0.00 C ATOM 16 O TYR A 2 7.257 -10.647 10.260 1.00 0.00 O ATOM 17 CB TYR A 2 5.395 -8.305 8.637 1.00 0.00 C ATOM 18 CG TYR A 2 6.247 -7.228 7.960 1.00 0.00 C ATOM 19 CD1 TYR A 2 6.452 -7.259 6.592 1.00 0.00 C ATOM 20 CD2 TYR A 2 6.813 -6.211 8.702 1.00 0.00 C ATOM 21 CE1 TYR A 2 7.210 -6.290 5.978 1.00 0.00 C ATOM 22 CE2 TYR A 2 7.570 -5.244 8.082 1.00 0.00 C ATOM 23 CZ TYR A 2 7.768 -5.282 6.724 1.00 0.00 C ATOM 24 OH TYR A 2 8.527 -4.311 6.120 1.00 0.00 O ATOM 0 H TYR A 2 4.664 -10.667 9.755 1.00 0.00 H new ATOM 0 HA TYR A 2 6.370 -9.800 7.412 1.00 0.00 H new ATOM 0 HB2 TYR A 2 4.391 -8.306 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 2 5.292 -8.085 9.700 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.013 -8.050 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 2 6.661 -6.174 9.771 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.366 -6.322 4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 2 8.011 -4.450 8.667 1.00 0.00 H new ATOM 0 HH TYR A 2 9.475 -4.471 6.310 1.00 0.00 H new ATOM 34 N ARG A 3 8.286 -9.056 9.035 1.00 0.00 N ATOM 35 CA ARG A 3 9.610 -9.013 9.754 1.00 0.00 C ATOM 36 C ARG A 3 10.682 -8.345 8.875 1.00 0.00 C ATOM 37 O ARG A 3 11.349 -7.449 9.346 1.00 0.00 O ATOM 38 CB ARG A 3 10.116 -10.442 10.117 1.00 0.00 C ATOM 39 CG ARG A 3 9.796 -10.744 11.580 1.00 0.00 C ATOM 40 CD ARG A 3 9.975 -12.244 11.820 1.00 0.00 C ATOM 41 NE ARG A 3 9.376 -12.532 13.153 1.00 0.00 N ATOM 42 CZ ARG A 3 8.300 -13.251 13.215 1.00 0.00 C ATOM 43 NH1 ARG A 3 7.197 -12.716 12.784 1.00 0.00 N ATOM 44 NH2 ARG A 3 8.401 -14.451 13.700 1.00 0.00 N ATOM 0 H ARG A 3 8.238 -8.397 8.258 1.00 0.00 H new ATOM 0 HA ARG A 3 9.450 -8.440 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.643 -11.181 9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.190 -10.512 9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.454 -10.175 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.775 -10.443 11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.482 -12.824 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.030 -12.517 11.801 1.00 0.00 H new ATOM 0 HE ARG A 3 9.806 -12.169 14.004 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.202 -11.765 12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.327 -13.247 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.306 -14.799 14.017 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.575 -15.046 13.764 1.00 0.00 H new ATOM 58 N PRO A 4 10.840 -8.788 7.645 1.00 0.00 N ATOM 59 CA PRO A 4 11.697 -8.069 6.655 1.00 0.00 C ATOM 60 C PRO A 4 11.050 -6.796 6.041 1.00 0.00 C ATOM 61 O PRO A 4 10.520 -5.971 6.759 1.00 0.00 O ATOM 62 CB PRO A 4 12.037 -9.223 5.692 1.00 0.00 C ATOM 63 CG PRO A 4 10.702 -9.990 5.611 1.00 0.00 C ATOM 64 CD PRO A 4 10.239 -10.032 7.068 1.00 0.00 C ATOM 0 HA PRO A 4 12.587 -7.593 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.355 -8.857 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.843 -9.849 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.981 -9.479 4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.836 -10.991 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.152 -10.030 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.594 -10.927 7.579 1.00 0.00 H new ATOM 72 N SER A 5 11.113 -6.654 4.746 1.00 0.00 N ATOM 73 CA SER A 5 10.531 -5.463 4.042 1.00 0.00 C ATOM 74 C SER A 5 10.588 -5.609 2.515 1.00 0.00 C ATOM 75 O SER A 5 9.751 -5.053 1.830 1.00 0.00 O ATOM 76 CB SER A 5 11.327 -4.259 4.458 1.00 0.00 C ATOM 77 OG SER A 5 10.706 -3.097 3.915 1.00 0.00 O ATOM 0 H SER A 5 11.555 -7.331 4.124 1.00 0.00 H new ATOM 0 HA SER A 5 9.480 -5.367 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.372 -4.192 5.545 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.354 -4.342 4.101 1.00 0.00 H new ATOM 0 HG SER A 5 9.732 -3.205 3.940 1.00 0.00 H new ATOM 83 N GLU A 6 11.574 -6.346 2.056 1.00 0.00 N ATOM 84 CA GLU A 6 11.794 -6.599 0.592 1.00 0.00 C ATOM 85 C GLU A 6 11.435 -5.391 -0.309 1.00 0.00 C ATOM 86 O GLU A 6 11.643 -4.264 0.100 1.00 0.00 O ATOM 87 CB GLU A 6 10.968 -7.934 0.239 1.00 0.00 C ATOM 88 CG GLU A 6 9.622 -8.068 1.039 1.00 0.00 C ATOM 89 CD GLU A 6 9.807 -8.380 2.536 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.896 -8.787 2.912 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.841 -8.195 3.259 1.00 0.00 O ATOM 0 H GLU A 6 12.261 -6.799 2.659 1.00 0.00 H new ATOM 0 HA GLU A 6 12.855 -6.740 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.749 -7.945 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.592 -8.803 0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.059 -7.140 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.020 -8.856 0.587 1.00 0.00 H new ATOM 98 N THR A 7 10.941 -5.649 -1.488 1.00 0.00 N ATOM 99 CA THR A 7 10.552 -4.571 -2.450 1.00 0.00 C ATOM 100 C THR A 7 9.330 -5.067 -3.203 1.00 0.00 C ATOM 101 O THR A 7 8.310 -4.429 -3.159 1.00 0.00 O ATOM 102 CB THR A 7 11.695 -4.307 -3.423 1.00 0.00 C ATOM 103 OG1 THR A 7 12.060 -5.607 -3.889 1.00 0.00 O ATOM 104 CG2 THR A 7 12.945 -3.782 -2.703 1.00 0.00 C ATOM 0 H THR A 7 10.785 -6.594 -1.838 1.00 0.00 H new ATOM 0 HA THR A 7 10.333 -3.640 -1.927 1.00 0.00 H new ATOM 0 HB THR A 7 11.385 -3.588 -4.181 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.798 -5.530 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.737 -3.606 -3.431 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.706 -2.848 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.280 -4.518 -1.973 1.00 0.00 H new ATOM 112 N LEU A 8 9.471 -6.184 -3.868 1.00 0.00 N ATOM 113 CA LEU A 8 8.347 -6.809 -4.659 1.00 0.00 C ATOM 114 C LEU A 8 7.826 -5.908 -5.800 1.00 0.00 C ATOM 115 O LEU A 8 7.590 -4.737 -5.580 1.00 0.00 O ATOM 116 CB LEU A 8 7.103 -7.119 -3.780 1.00 0.00 C ATOM 117 CG LEU A 8 7.410 -7.921 -2.486 1.00 0.00 C ATOM 118 CD1 LEU A 8 7.352 -6.990 -1.255 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.320 -8.976 -2.280 1.00 0.00 C ATOM 0 H LEU A 8 10.343 -6.712 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 8 8.795 -7.719 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.626 -6.179 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.383 -7.679 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 8 8.398 -8.370 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.569 -7.564 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.089 -6.195 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.357 -6.553 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.529 -9.543 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.351 -8.485 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.302 -9.652 -3.135 1.00 0.00 H new ATOM 131 N CYS A 9 7.632 -6.410 -6.999 1.00 0.00 N ATOM 132 CA CYS A 9 7.116 -5.469 -8.065 1.00 0.00 C ATOM 133 C CYS A 9 5.971 -6.029 -8.923 1.00 0.00 C ATOM 134 O CYS A 9 5.786 -7.223 -9.050 1.00 0.00 O ATOM 135 CB CYS A 9 8.243 -5.053 -9.017 1.00 0.00 C ATOM 136 SG CYS A 9 7.770 -3.634 -10.040 1.00 0.00 S ATOM 0 H CYS A 9 7.796 -7.376 -7.283 1.00 0.00 H new ATOM 0 HA CYS A 9 6.724 -4.622 -7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.133 -4.804 -8.440 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.505 -5.893 -9.660 1.00 0.00 H new ATOM 141 N GLY A 10 5.216 -5.125 -9.494 1.00 0.00 N ATOM 142 CA GLY A 10 4.049 -5.498 -10.369 1.00 0.00 C ATOM 143 C GLY A 10 3.227 -6.707 -9.879 1.00 0.00 C ATOM 144 O GLY A 10 2.719 -6.688 -8.777 1.00 0.00 O ATOM 0 H GLY A 10 5.358 -4.120 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.386 -4.637 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.420 -5.712 -11.371 1.00 0.00 H new ATOM 148 N GLY A 11 3.132 -7.713 -10.718 1.00 0.00 N ATOM 149 CA GLY A 11 2.361 -8.959 -10.384 1.00 0.00 C ATOM 150 C GLY A 11 2.779 -9.564 -9.047 1.00 0.00 C ATOM 151 O GLY A 11 2.016 -10.279 -8.433 1.00 0.00 O ATOM 0 H GLY A 11 3.566 -7.724 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.296 -8.727 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.507 -9.696 -11.174 1.00 0.00 H new ATOM 155 N GLU A 12 3.977 -9.258 -8.640 1.00 0.00 N ATOM 156 CA GLU A 12 4.502 -9.783 -7.347 1.00 0.00 C ATOM 157 C GLU A 12 4.204 -8.738 -6.265 1.00 0.00 C ATOM 158 O GLU A 12 3.896 -9.060 -5.135 1.00 0.00 O ATOM 159 CB GLU A 12 5.996 -9.997 -7.517 1.00 0.00 C ATOM 160 CG GLU A 12 6.661 -10.480 -6.206 1.00 0.00 C ATOM 161 CD GLU A 12 8.175 -10.345 -6.375 1.00 0.00 C ATOM 162 OE1 GLU A 12 8.582 -9.255 -6.759 1.00 0.00 O ATOM 163 OE2 GLU A 12 8.834 -11.335 -6.116 1.00 0.00 O ATOM 0 H GLU A 12 4.624 -8.659 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 12 4.040 -10.727 -7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.171 -10.730 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.462 -9.066 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.316 -9.885 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.390 -11.515 -5.999 1.00 0.00 H new ATOM 170 N LEU A 13 4.299 -7.491 -6.641 1.00 0.00 N ATOM 171 CA LEU A 13 4.029 -6.424 -5.637 1.00 0.00 C ATOM 172 C LEU A 13 2.581 -6.425 -5.222 1.00 0.00 C ATOM 173 O LEU A 13 2.269 -6.304 -4.054 1.00 0.00 O ATOM 174 CB LEU A 13 4.382 -5.041 -6.208 1.00 0.00 C ATOM 175 CG LEU A 13 3.911 -3.908 -5.248 1.00 0.00 C ATOM 176 CD1 LEU A 13 4.540 -4.172 -3.886 1.00 0.00 C ATOM 177 CD2 LEU A 13 4.491 -2.609 -5.793 1.00 0.00 C ATOM 0 H LEU A 13 4.546 -7.170 -7.577 1.00 0.00 H new ATOM 0 HA LEU A 13 4.651 -6.631 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.459 -4.970 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.913 -4.915 -7.184 1.00 0.00 H new ATOM 0 HG LEU A 13 2.825 -3.861 -5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.231 -3.396 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.214 -5.144 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.626 -4.165 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.189 -1.779 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.579 -2.676 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.120 -2.441 -6.804 1.00 0.00 H new ATOM 189 N VAL A 14 1.725 -6.563 -6.195 1.00 0.00 N ATOM 190 CA VAL A 14 0.267 -6.580 -5.901 1.00 0.00 C ATOM 191 C VAL A 14 0.017 -7.652 -4.829 1.00 0.00 C ATOM 192 O VAL A 14 -0.968 -7.580 -4.121 1.00 0.00 O ATOM 193 CB VAL A 14 -0.487 -6.879 -7.237 1.00 0.00 C ATOM 194 CG1 VAL A 14 -0.101 -8.257 -7.777 1.00 0.00 C ATOM 195 CG2 VAL A 14 -2.018 -6.815 -7.062 1.00 0.00 C ATOM 0 H VAL A 14 1.972 -6.665 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.097 -5.627 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.189 -6.108 -7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.636 -8.446 -8.707 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.972 -8.287 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.364 -9.021 -7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.502 -7.029 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.331 -7.552 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.304 -5.819 -6.725 1.00 0.00 H new ATOM 205 N ASP A 15 0.905 -8.611 -4.715 1.00 0.00 N ATOM 206 CA ASP A 15 0.651 -9.640 -3.675 1.00 0.00 C ATOM 207 C ASP A 15 0.863 -9.041 -2.283 1.00 0.00 C ATOM 208 O ASP A 15 0.189 -9.454 -1.360 1.00 0.00 O ATOM 209 CB ASP A 15 1.592 -10.844 -3.815 1.00 0.00 C ATOM 210 CG ASP A 15 1.088 -11.878 -2.786 1.00 0.00 C ATOM 211 OD1 ASP A 15 -0.020 -12.362 -2.982 1.00 0.00 O ATOM 212 OD2 ASP A 15 1.839 -12.122 -1.858 1.00 0.00 O ATOM 0 H ASP A 15 1.754 -8.720 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.378 -9.974 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.564 -11.250 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.625 -10.561 -3.614 1.00 0.00 H new ATOM 217 N THR A 16 1.758 -8.088 -2.143 1.00 0.00 N ATOM 218 CA THR A 16 1.982 -7.492 -0.778 1.00 0.00 C ATOM 219 C THR A 16 0.599 -7.031 -0.268 1.00 0.00 C ATOM 220 O THR A 16 0.092 -7.448 0.762 1.00 0.00 O ATOM 221 CB THR A 16 3.030 -6.276 -0.879 1.00 0.00 C ATOM 222 OG1 THR A 16 3.415 -5.966 0.462 1.00 0.00 O ATOM 223 CG2 THR A 16 2.447 -4.929 -1.388 1.00 0.00 C ATOM 0 H THR A 16 2.332 -7.703 -2.893 1.00 0.00 H new ATOM 0 HA THR A 16 2.411 -8.211 -0.080 1.00 0.00 H new ATOM 0 HB THR A 16 3.805 -6.612 -1.568 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.102 -5.267 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.237 -4.179 -1.418 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.038 -5.065 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.657 -4.597 -0.715 1.00 0.00 H new ATOM 231 N LEU A 17 -0.014 -6.163 -1.032 1.00 0.00 N ATOM 232 CA LEU A 17 -1.344 -5.675 -0.618 1.00 0.00 C ATOM 233 C LEU A 17 -2.302 -6.849 -0.567 1.00 0.00 C ATOM 234 O LEU A 17 -3.004 -7.003 0.407 1.00 0.00 O ATOM 235 CB LEU A 17 -1.928 -4.750 -1.595 1.00 0.00 C ATOM 236 CG LEU A 17 -1.033 -3.573 -1.939 1.00 0.00 C ATOM 237 CD1 LEU A 17 -1.658 -2.895 -3.085 1.00 0.00 C ATOM 238 CD2 LEU A 17 -1.088 -2.563 -0.838 1.00 0.00 C ATOM 0 H LEU A 17 0.348 -5.783 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.208 -5.176 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.157 -5.299 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.873 -4.373 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.016 -3.922 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.052 -2.037 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.729 -3.588 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.656 -2.557 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.445 -1.719 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.113 -2.214 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.746 -3.019 0.091 1.00 0.00 H new ATOM 250 N GLN A 18 -2.305 -7.639 -1.609 1.00 0.00 N ATOM 251 CA GLN A 18 -3.231 -8.799 -1.625 1.00 0.00 C ATOM 252 C GLN A 18 -3.197 -9.563 -0.317 1.00 0.00 C ATOM 253 O GLN A 18 -4.242 -9.958 0.162 1.00 0.00 O ATOM 254 CB GLN A 18 -2.860 -9.757 -2.766 1.00 0.00 C ATOM 255 CG GLN A 18 -3.994 -10.802 -2.909 1.00 0.00 C ATOM 256 CD GLN A 18 -3.704 -11.732 -4.075 1.00 0.00 C ATOM 257 OE1 GLN A 18 -4.522 -11.921 -4.951 1.00 0.00 O ATOM 258 NE2 GLN A 18 -2.565 -12.344 -4.144 1.00 0.00 N ATOM 0 H GLN A 18 -1.715 -7.531 -2.434 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.237 -8.406 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.731 -9.206 -3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.912 -10.251 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.086 -11.378 -1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.947 -10.297 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.863 -12.199 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.369 -12.971 -4.924 1.00 0.00 H new ATOM 267 N PHE A 19 -2.031 -9.756 0.239 1.00 0.00 N ATOM 268 CA PHE A 19 -2.048 -10.509 1.511 1.00 0.00 C ATOM 269 C PHE A 19 -2.581 -9.590 2.610 1.00 0.00 C ATOM 270 O PHE A 19 -3.316 -10.085 3.439 1.00 0.00 O ATOM 271 CB PHE A 19 -0.591 -11.045 1.847 1.00 0.00 C ATOM 272 CG PHE A 19 0.380 -10.007 2.433 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.125 -9.411 3.658 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.520 -9.648 1.742 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.980 -8.477 4.184 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.375 -8.709 2.278 1.00 0.00 C ATOM 277 CZ PHE A 19 2.107 -8.133 3.482 1.00 0.00 C ATOM 0 H PHE A 19 -1.124 -9.445 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.700 -11.379 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.681 -11.871 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.153 -11.451 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.763 -9.687 4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.741 -10.100 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.769 -8.018 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.267 -8.427 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.787 -7.399 3.888 1.00 0.00 H new ATOM 287 N VAL A 20 -2.239 -8.313 2.649 1.00 0.00 N ATOM 288 CA VAL A 20 -2.797 -7.500 3.742 1.00 0.00 C ATOM 289 C VAL A 20 -4.172 -6.893 3.429 1.00 0.00 C ATOM 290 O VAL A 20 -5.102 -7.161 4.168 1.00 0.00 O ATOM 291 CB VAL A 20 -1.695 -6.474 4.031 1.00 0.00 C ATOM 292 CG1 VAL A 20 -1.760 -5.178 3.230 1.00 0.00 C ATOM 293 CG2 VAL A 20 -1.701 -6.219 5.483 1.00 0.00 C ATOM 0 H VAL A 20 -1.623 -7.833 1.993 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.032 -8.096 4.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.753 -6.909 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.932 -4.530 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.690 -5.404 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.704 -4.672 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.927 -5.491 5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.674 -5.828 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.506 -7.149 6.017 1.00 0.00 H new ATOM 303 N CYS A 21 -4.296 -6.107 2.377 1.00 0.00 N ATOM 304 CA CYS A 21 -5.626 -5.511 2.060 1.00 0.00 C ATOM 305 C CYS A 21 -6.713 -6.581 2.113 1.00 0.00 C ATOM 306 O CYS A 21 -7.802 -6.397 2.624 1.00 0.00 O ATOM 307 CB CYS A 21 -5.560 -4.913 0.703 1.00 0.00 C ATOM 308 SG CYS A 21 -7.147 -4.403 0.005 1.00 0.00 S ATOM 0 H CYS A 21 -3.541 -5.860 1.737 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.872 -4.743 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.902 -4.045 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.100 -5.635 0.028 1.00 0.00 H new ATOM 313 N GLY A 22 -6.329 -7.694 1.555 1.00 0.00 N ATOM 314 CA GLY A 22 -7.227 -8.876 1.500 1.00 0.00 C ATOM 315 C GLY A 22 -8.436 -8.746 0.566 1.00 0.00 C ATOM 316 O GLY A 22 -8.406 -8.085 -0.456 1.00 0.00 O ATOM 0 H GLY A 22 -5.414 -7.835 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.641 -9.741 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.589 -9.082 2.507 1.00 0.00 H new ATOM 320 N ASP A 23 -9.459 -9.425 1.008 1.00 0.00 N ATOM 321 CA ASP A 23 -10.809 -9.551 0.373 1.00 0.00 C ATOM 322 C ASP A 23 -11.534 -8.201 0.264 1.00 0.00 C ATOM 323 O ASP A 23 -12.632 -8.042 0.768 1.00 0.00 O ATOM 324 CB ASP A 23 -11.647 -10.545 1.239 1.00 0.00 C ATOM 325 CG ASP A 23 -10.813 -11.767 1.641 1.00 0.00 C ATOM 326 OD1 ASP A 23 -9.978 -11.565 2.514 1.00 0.00 O ATOM 327 OD2 ASP A 23 -11.058 -12.807 1.062 1.00 0.00 O ATOM 0 H ASP A 23 -9.402 -9.953 1.879 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.689 -9.918 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.008 -10.037 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.525 -10.868 0.680 1.00 0.00 H new ATOM 332 N ARG A 24 -10.922 -7.247 -0.380 1.00 0.00 N ATOM 333 CA ARG A 24 -11.576 -5.909 -0.515 1.00 0.00 C ATOM 334 C ARG A 24 -11.028 -5.305 -1.793 1.00 0.00 C ATOM 335 O ARG A 24 -11.728 -4.791 -2.645 1.00 0.00 O ATOM 336 CB ARG A 24 -11.194 -4.986 0.672 1.00 0.00 C ATOM 337 CG ARG A 24 -10.956 -5.824 1.952 1.00 0.00 C ATOM 338 CD ARG A 24 -10.664 -4.937 3.132 1.00 0.00 C ATOM 339 NE ARG A 24 -11.904 -4.142 3.391 1.00 0.00 N ATOM 340 CZ ARG A 24 -12.643 -4.459 4.413 1.00 0.00 C ATOM 341 NH1 ARG A 24 -13.400 -5.514 4.307 1.00 0.00 N ATOM 342 NH2 ARG A 24 -12.574 -3.710 5.470 1.00 0.00 N ATOM 0 H ARG A 24 -10.004 -7.331 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.661 -6.011 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.295 -4.421 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.988 -4.260 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.835 -6.434 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.123 -6.509 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.396 -5.531 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.820 -4.280 2.922 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.164 -3.368 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.398 -6.058 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.994 -5.796 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.953 -2.901 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.140 -3.930 6.289 1.00 0.00 H new ATOM 356 N GLY A 25 -9.733 -5.415 -1.845 1.00 0.00 N ATOM 357 CA GLY A 25 -8.985 -4.885 -3.005 1.00 0.00 C ATOM 358 C GLY A 25 -8.452 -3.518 -2.567 1.00 0.00 C ATOM 359 O GLY A 25 -9.030 -2.836 -1.744 1.00 0.00 O ATOM 0 H GLY A 25 -9.159 -5.854 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.169 -5.552 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.631 -4.792 -3.878 1.00 0.00 H new ATOM 363 N PHE A 26 -7.343 -3.163 -3.135 1.00 0.00 N ATOM 364 CA PHE A 26 -6.639 -1.862 -2.848 1.00 0.00 C ATOM 365 C PHE A 26 -6.823 -0.925 -4.016 1.00 0.00 C ATOM 366 O PHE A 26 -7.324 -1.324 -5.051 1.00 0.00 O ATOM 367 CB PHE A 26 -5.125 -2.122 -2.621 1.00 0.00 C ATOM 368 CG PHE A 26 -4.837 -3.446 -3.300 1.00 0.00 C ATOM 369 CD1 PHE A 26 -4.521 -3.549 -4.621 1.00 0.00 C ATOM 370 CD2 PHE A 26 -4.943 -4.566 -2.539 1.00 0.00 C ATOM 371 CE1 PHE A 26 -4.315 -4.791 -5.160 1.00 0.00 C ATOM 372 CE2 PHE A 26 -4.743 -5.804 -3.055 1.00 0.00 C ATOM 373 CZ PHE A 26 -4.422 -5.930 -4.387 1.00 0.00 C ATOM 0 H PHE A 26 -6.862 -3.742 -3.823 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.062 -1.412 -1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.521 -1.322 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.889 -2.166 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.434 -2.664 -5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.194 -4.468 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.065 -4.881 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.834 -6.679 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.256 -6.905 -4.821 1.00 0.00 H new ATOM 383 N TYR A 27 -6.403 0.291 -3.813 1.00 0.00 N ATOM 384 CA TYR A 27 -6.546 1.288 -4.917 1.00 0.00 C ATOM 385 C TYR A 27 -5.207 1.800 -5.403 1.00 0.00 C ATOM 386 O TYR A 27 -5.114 2.616 -6.297 1.00 0.00 O ATOM 387 CB TYR A 27 -7.396 2.443 -4.409 1.00 0.00 C ATOM 388 CG TYR A 27 -8.824 1.941 -4.094 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.546 1.221 -5.032 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.408 2.196 -2.866 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.816 0.768 -4.748 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.682 1.742 -2.585 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.390 1.025 -3.525 1.00 0.00 C ATOM 394 OH TYR A 27 -12.654 0.561 -3.236 1.00 0.00 O ATOM 0 H TYR A 27 -5.976 0.636 -2.953 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.023 0.801 -5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.946 2.872 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.435 3.235 -5.157 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.108 1.012 -5.997 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.863 2.755 -2.120 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.364 0.207 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.126 1.950 -1.623 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.817 -0.271 -3.728 1.00 0.00 H new ATOM 404 N PHE A 28 -4.199 1.298 -4.759 1.00 0.00 N ATOM 405 CA PHE A 28 -2.773 1.627 -5.043 1.00 0.00 C ATOM 406 C PHE A 28 -2.460 3.116 -4.805 1.00 0.00 C ATOM 407 O PHE A 28 -1.327 3.523 -4.979 1.00 0.00 O ATOM 408 CB PHE A 28 -2.481 1.281 -6.499 1.00 0.00 C ATOM 409 CG PHE A 28 -2.872 -0.140 -6.919 1.00 0.00 C ATOM 410 CD1 PHE A 28 -2.209 -1.268 -6.472 1.00 0.00 C ATOM 411 CD2 PHE A 28 -3.921 -0.283 -7.804 1.00 0.00 C ATOM 412 CE1 PHE A 28 -2.591 -2.518 -6.910 1.00 0.00 C ATOM 413 CE2 PHE A 28 -4.307 -1.528 -8.243 1.00 0.00 C ATOM 414 CZ PHE A 28 -3.641 -2.646 -7.796 1.00 0.00 C ATOM 0 H PHE A 28 -4.312 0.629 -3.997 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.147 1.048 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.008 1.990 -7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.415 1.417 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.388 -1.169 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.445 0.593 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.069 -3.396 -6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.130 -1.628 -8.936 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.941 -3.625 -8.139 1.00 0.00 H new ATOM 424 N SER A 29 -3.499 3.819 -4.413 1.00 0.00 N ATOM 425 CA SER A 29 -3.560 5.283 -4.109 1.00 0.00 C ATOM 426 C SER A 29 -2.480 6.078 -4.807 1.00 0.00 C ATOM 427 O SER A 29 -1.851 6.965 -4.270 1.00 0.00 O ATOM 428 CB SER A 29 -3.492 5.470 -2.589 1.00 0.00 C ATOM 429 OG SER A 29 -4.536 4.590 -2.192 1.00 0.00 O ATOM 0 H SER A 29 -4.407 3.374 -4.280 1.00 0.00 H new ATOM 0 HA SER A 29 -4.502 5.673 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.525 5.184 -2.176 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.676 6.501 -2.286 1.00 0.00 H new ATOM 0 HG SER A 29 -4.617 4.598 -1.215 1.00 0.00 H new ATOM 435 N ARG A 30 -2.360 5.683 -6.043 1.00 0.00 N ATOM 436 CA ARG A 30 -1.379 6.273 -7.000 1.00 0.00 C ATOM 437 C ARG A 30 -1.993 7.209 -8.054 1.00 0.00 C ATOM 438 O ARG A 30 -1.407 7.342 -9.109 1.00 0.00 O ATOM 439 CB ARG A 30 -0.625 5.091 -7.708 1.00 0.00 C ATOM 440 CG ARG A 30 -1.596 3.955 -8.133 1.00 0.00 C ATOM 441 CD ARG A 30 -2.638 4.382 -9.183 1.00 0.00 C ATOM 442 NE ARG A 30 -1.886 4.846 -10.385 1.00 0.00 N ATOM 443 CZ ARG A 30 -2.453 5.612 -11.272 1.00 0.00 C ATOM 444 NH1 ARG A 30 -3.468 5.138 -11.926 1.00 0.00 N ATOM 445 NH2 ARG A 30 -1.980 6.802 -11.454 1.00 0.00 N ATOM 0 H ARG A 30 -2.929 4.940 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.704 6.904 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.102 5.469 -8.586 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.132 4.688 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.014 3.124 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.116 3.586 -7.249 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.293 3.548 -9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.272 5.179 -8.794 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.916 4.560 -10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.799 4.192 -11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.935 5.712 -12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.180 7.122 -10.908 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.407 7.421 -12.143 1.00 0.00 H new ATOM 459 N PRO A 31 -3.116 7.856 -7.805 1.00 0.00 N ATOM 460 CA PRO A 31 -4.155 8.174 -8.849 1.00 0.00 C ATOM 461 C PRO A 31 -3.726 9.112 -9.987 1.00 0.00 C ATOM 462 O PRO A 31 -4.488 9.423 -10.876 1.00 0.00 O ATOM 463 CB PRO A 31 -5.320 8.744 -8.042 1.00 0.00 C ATOM 464 CG PRO A 31 -4.594 9.430 -6.857 1.00 0.00 C ATOM 465 CD PRO A 31 -3.525 8.388 -6.470 1.00 0.00 C ATOM 0 HA PRO A 31 -4.396 7.271 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.910 9.453 -8.623 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.002 7.963 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.147 10.380 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.274 9.639 -6.031 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.689 8.840 -5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.930 7.607 -5.826 1.00 0.00 H new ATOM 473 N ALA A 32 -2.496 9.500 -9.869 1.00 0.00 N ATOM 474 CA ALA A 32 -1.785 10.417 -10.813 1.00 0.00 C ATOM 475 C ALA A 32 -1.610 9.772 -12.196 1.00 0.00 C ATOM 476 O ALA A 32 -2.486 9.099 -12.701 1.00 0.00 O ATOM 477 CB ALA A 32 -0.425 10.762 -10.161 1.00 0.00 C ATOM 0 H ALA A 32 -1.904 9.196 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.365 11.324 -10.983 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.133 11.432 -10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.595 11.250 -9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.147 9.847 -10.006 1.00 0.00 H new ATOM 483 N SER A 33 -0.486 9.966 -12.825 1.00 0.00 N ATOM 484 CA SER A 33 -0.274 9.352 -14.185 1.00 0.00 C ATOM 485 C SER A 33 1.055 8.587 -14.251 1.00 0.00 C ATOM 486 O SER A 33 1.444 8.002 -13.262 1.00 0.00 O ATOM 487 CB SER A 33 -0.349 10.507 -15.197 1.00 0.00 C ATOM 488 OG SER A 33 -1.586 11.142 -14.881 1.00 0.00 O ATOM 0 H SER A 33 0.295 10.517 -12.469 1.00 0.00 H new ATOM 0 HA SER A 33 -1.037 8.607 -14.412 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.493 11.191 -15.090 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.335 10.143 -16.224 1.00 0.00 H new ATOM 0 HG SER A 33 -1.725 11.904 -15.481 1.00 0.00 H new ATOM 494 N ARG A 34 1.724 8.598 -15.375 1.00 0.00 N ATOM 495 CA ARG A 34 3.035 7.857 -15.498 1.00 0.00 C ATOM 496 C ARG A 34 4.225 8.819 -15.464 1.00 0.00 C ATOM 497 O ARG A 34 5.305 8.496 -15.909 1.00 0.00 O ATOM 498 CB ARG A 34 3.066 7.080 -16.835 1.00 0.00 C ATOM 499 CG ARG A 34 2.043 5.929 -16.900 1.00 0.00 C ATOM 500 CD ARG A 34 2.513 4.716 -16.058 1.00 0.00 C ATOM 501 NE ARG A 34 1.707 3.532 -16.510 1.00 0.00 N ATOM 502 CZ ARG A 34 2.258 2.548 -17.165 1.00 0.00 C ATOM 503 NH1 ARG A 34 2.367 2.670 -18.455 1.00 0.00 N ATOM 504 NH2 ARG A 34 2.661 1.509 -16.495 1.00 0.00 N ATOM 0 H ARG A 34 1.426 9.086 -16.219 1.00 0.00 H new ATOM 0 HA ARG A 34 3.113 7.172 -14.653 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.874 7.773 -17.654 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.067 6.676 -16.988 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.077 6.276 -16.535 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.901 5.623 -17.936 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.578 4.536 -16.202 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.362 4.902 -14.995 1.00 0.00 H new ATOM 0 HE ARG A 34 0.709 3.497 -16.301 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.027 3.513 -18.918 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.792 1.923 -19.004 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.543 1.478 -15.482 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.095 0.725 -16.982 1.00 0.00 H new ATOM 518 N VAL A 35 3.980 9.977 -14.932 1.00 0.00 N ATOM 519 CA VAL A 35 4.998 11.034 -14.819 1.00 0.00 C ATOM 520 C VAL A 35 5.684 11.048 -13.436 1.00 0.00 C ATOM 521 O VAL A 35 6.327 12.013 -13.077 1.00 0.00 O ATOM 522 CB VAL A 35 4.157 12.284 -15.203 1.00 0.00 C ATOM 523 CG1 VAL A 35 4.891 13.553 -14.997 1.00 0.00 C ATOM 524 CG2 VAL A 35 3.742 12.203 -16.695 1.00 0.00 C ATOM 0 H VAL A 35 3.069 10.239 -14.555 1.00 0.00 H new ATOM 0 HA VAL A 35 5.876 10.928 -15.456 1.00 0.00 H new ATOM 0 HB VAL A 35 3.285 12.283 -14.550 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.255 14.391 -15.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.167 13.647 -13.947 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.792 13.556 -15.611 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.153 13.082 -16.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.635 12.165 -17.319 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.146 11.305 -16.859 1.00 0.00 H new ATOM 534 N SER A 36 5.533 9.975 -12.698 1.00 0.00 N ATOM 535 CA SER A 36 6.142 9.853 -11.321 1.00 0.00 C ATOM 536 C SER A 36 5.992 11.187 -10.580 1.00 0.00 C ATOM 537 O SER A 36 6.857 11.774 -9.958 1.00 0.00 O ATOM 538 CB SER A 36 7.574 9.489 -11.485 1.00 0.00 C ATOM 539 OG SER A 36 7.500 8.316 -12.288 1.00 0.00 O ATOM 0 H SER A 36 5.002 9.156 -12.993 1.00 0.00 H new ATOM 0 HA SER A 36 5.639 9.084 -10.735 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.141 10.281 -11.974 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.057 9.296 -10.527 1.00 0.00 H new ATOM 0 HG SER A 36 7.183 7.566 -11.743 1.00 0.00 H new ATOM 545 N ARG A 37 4.767 11.556 -10.761 1.00 0.00 N ATOM 546 CA ARG A 37 4.130 12.795 -10.241 1.00 0.00 C ATOM 547 C ARG A 37 4.189 12.815 -8.715 1.00 0.00 C ATOM 548 O ARG A 37 4.627 11.876 -8.081 1.00 0.00 O ATOM 549 CB ARG A 37 2.657 12.792 -10.732 1.00 0.00 C ATOM 550 CG ARG A 37 2.247 13.995 -11.603 1.00 0.00 C ATOM 551 CD ARG A 37 2.031 15.258 -10.740 1.00 0.00 C ATOM 552 NE ARG A 37 1.188 16.204 -11.544 1.00 0.00 N ATOM 553 CZ ARG A 37 1.609 17.399 -11.840 1.00 0.00 C ATOM 554 NH1 ARG A 37 2.668 17.479 -12.588 1.00 0.00 N ATOM 555 NH2 ARG A 37 0.965 18.433 -11.383 1.00 0.00 N ATOM 0 H ARG A 37 4.116 10.989 -11.305 1.00 0.00 H new ATOM 0 HA ARG A 37 4.650 13.683 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.483 11.878 -11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.002 12.756 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.018 14.188 -12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.331 13.760 -12.145 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.537 15.004 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.986 15.717 -10.483 1.00 0.00 H new ATOM 0 HE ARG A 37 0.267 15.904 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.128 16.629 -12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.040 18.392 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.139 18.302 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.286 19.374 -11.609 1.00 0.00 H new ATOM 569 N ARG A 38 3.744 13.912 -8.163 1.00 0.00 N ATOM 570 CA ARG A 38 3.754 13.993 -6.681 1.00 0.00 C ATOM 571 C ARG A 38 2.514 13.166 -6.314 1.00 0.00 C ATOM 572 O ARG A 38 1.817 12.703 -7.199 1.00 0.00 O ATOM 573 CB ARG A 38 3.606 15.455 -6.220 1.00 0.00 C ATOM 574 CG ARG A 38 4.657 16.354 -6.946 1.00 0.00 C ATOM 575 CD ARG A 38 6.092 15.758 -6.843 1.00 0.00 C ATOM 576 NE ARG A 38 6.426 15.531 -5.401 1.00 0.00 N ATOM 577 CZ ARG A 38 7.660 15.325 -5.049 1.00 0.00 C ATOM 578 NH1 ARG A 38 8.152 14.131 -5.219 1.00 0.00 N ATOM 579 NH2 ARG A 38 8.320 16.328 -4.554 1.00 0.00 N ATOM 0 H ARG A 38 3.386 14.729 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 38 4.673 13.634 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.599 15.813 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.743 15.520 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.382 16.461 -7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.645 17.353 -6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.150 14.820 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.815 16.438 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 38 5.688 15.538 -4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.572 13.392 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.117 13.935 -4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.867 17.237 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.291 16.207 -4.266 1.00 0.00 H new ATOM 593 N SER A 39 2.275 13.045 -5.037 1.00 0.00 N ATOM 594 CA SER A 39 1.116 12.250 -4.503 1.00 0.00 C ATOM 595 C SER A 39 1.694 10.834 -4.573 1.00 0.00 C ATOM 596 O SER A 39 2.071 10.403 -5.645 1.00 0.00 O ATOM 597 CB SER A 39 -0.135 12.317 -5.417 1.00 0.00 C ATOM 598 OG SER A 39 -1.144 11.640 -4.681 1.00 0.00 O ATOM 0 H SER A 39 2.850 13.476 -4.313 1.00 0.00 H new ATOM 0 HA SER A 39 0.779 12.598 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.420 13.348 -5.627 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.048 11.835 -6.377 1.00 0.00 H new ATOM 0 HG SER A 39 -1.979 11.639 -5.195 1.00 0.00 H new ATOM 604 N ARG A 40 1.768 10.157 -3.458 1.00 0.00 N ATOM 605 CA ARG A 40 2.318 8.776 -3.445 1.00 0.00 C ATOM 606 C ARG A 40 1.476 7.743 -4.234 1.00 0.00 C ATOM 607 O ARG A 40 0.657 8.055 -5.076 1.00 0.00 O ATOM 608 CB ARG A 40 2.437 8.357 -1.962 1.00 0.00 C ATOM 609 CG ARG A 40 3.785 7.692 -1.743 1.00 0.00 C ATOM 610 CD ARG A 40 3.740 6.947 -0.403 1.00 0.00 C ATOM 611 NE ARG A 40 5.067 6.299 -0.173 1.00 0.00 N ATOM 612 CZ ARG A 40 5.261 5.657 0.938 1.00 0.00 C ATOM 613 NH1 ARG A 40 4.858 4.427 0.950 1.00 0.00 N ATOM 614 NH2 ARG A 40 5.827 6.288 1.930 1.00 0.00 N ATOM 0 H ARG A 40 1.467 10.508 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 40 3.282 8.786 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.338 9.229 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.632 7.671 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.004 6.999 -2.556 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.580 8.438 -1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.512 7.639 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.949 6.197 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 40 5.805 6.360 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.421 4.025 0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.977 3.859 1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.106 7.263 1.822 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.991 5.806 2.814 1.00 0.00 H new ATOM 628 N GLY A 41 1.736 6.508 -3.891 1.00 0.00 N ATOM 629 CA GLY A 41 1.058 5.342 -4.506 1.00 0.00 C ATOM 630 C GLY A 41 1.995 4.141 -4.380 1.00 0.00 C ATOM 631 O GLY A 41 3.138 4.352 -4.014 1.00 0.00 O ATOM 0 H GLY A 41 2.421 6.257 -3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.111 5.142 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.829 5.541 -5.553 1.00 0.00 H new ATOM 635 N ILE A 42 1.483 2.963 -4.658 1.00 0.00 N ATOM 636 CA ILE A 42 2.213 1.690 -4.608 1.00 0.00 C ATOM 637 C ILE A 42 3.480 1.694 -5.492 1.00 0.00 C ATOM 638 O ILE A 42 4.216 2.651 -5.507 1.00 0.00 O ATOM 639 CB ILE A 42 1.097 0.693 -5.015 1.00 0.00 C ATOM 640 CG1 ILE A 42 1.369 -0.646 -4.465 1.00 0.00 C ATOM 641 CG2 ILE A 42 0.862 0.624 -6.556 1.00 0.00 C ATOM 642 CD1 ILE A 42 1.157 -0.580 -2.965 1.00 0.00 C ATOM 0 H ILE A 42 0.509 2.848 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 42 2.654 1.438 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 42 0.172 1.074 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.705 -1.385 -4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.389 -0.953 -4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.069 -0.092 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.572 1.608 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.780 0.307 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.351 -1.559 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.839 0.153 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.128 -0.286 -2.755 1.00 0.00 H new ATOM 654 N VAL A 43 3.715 0.623 -6.198 1.00 0.00 N ATOM 655 CA VAL A 43 4.903 0.484 -7.107 1.00 0.00 C ATOM 656 C VAL A 43 6.082 1.342 -6.710 1.00 0.00 C ATOM 657 O VAL A 43 6.906 0.849 -5.968 1.00 0.00 O ATOM 658 CB VAL A 43 4.471 0.814 -8.569 1.00 0.00 C ATOM 659 CG1 VAL A 43 3.815 -0.457 -9.105 1.00 0.00 C ATOM 660 CG2 VAL A 43 3.444 1.997 -8.653 1.00 0.00 C ATOM 0 H VAL A 43 3.110 -0.198 -6.185 1.00 0.00 H new ATOM 0 HA VAL A 43 5.243 -0.548 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 43 5.342 1.127 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.488 -0.292 -10.132 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.534 -1.276 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.954 -0.711 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.182 2.178 -9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.545 1.739 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.890 2.897 -8.229 1.00 0.00 H new ATOM 670 N GLU A 44 6.157 2.561 -7.182 1.00 0.00 N ATOM 671 CA GLU A 44 7.304 3.420 -6.797 1.00 0.00 C ATOM 672 C GLU A 44 7.653 3.214 -5.317 1.00 0.00 C ATOM 673 O GLU A 44 8.813 3.105 -4.978 1.00 0.00 O ATOM 674 CB GLU A 44 6.961 4.899 -7.072 1.00 0.00 C ATOM 675 CG GLU A 44 7.392 5.202 -8.539 1.00 0.00 C ATOM 676 CD GLU A 44 7.051 6.649 -8.960 1.00 0.00 C ATOM 677 OE1 GLU A 44 7.240 7.521 -8.121 1.00 0.00 O ATOM 678 OE2 GLU A 44 6.629 6.801 -10.098 1.00 0.00 O ATOM 0 H GLU A 44 5.478 2.990 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 44 8.173 3.142 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.894 5.079 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.484 5.552 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.465 5.039 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.897 4.503 -9.213 1.00 0.00 H new ATOM 685 N GLU A 45 6.690 3.144 -4.439 1.00 0.00 N ATOM 686 CA GLU A 45 7.104 2.940 -3.026 1.00 0.00 C ATOM 687 C GLU A 45 7.527 1.488 -2.747 1.00 0.00 C ATOM 688 O GLU A 45 8.549 1.305 -2.131 1.00 0.00 O ATOM 689 CB GLU A 45 5.963 3.297 -2.080 1.00 0.00 C ATOM 690 CG GLU A 45 4.945 2.160 -2.116 1.00 0.00 C ATOM 691 CD GLU A 45 3.670 2.479 -1.381 1.00 0.00 C ATOM 692 OE1 GLU A 45 3.375 3.652 -1.244 1.00 0.00 O ATOM 693 OE2 GLU A 45 3.059 1.514 -0.991 1.00 0.00 O ATOM 0 H GLU A 45 5.689 3.215 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 45 7.961 3.592 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.339 3.440 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.497 4.235 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.709 1.926 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.393 1.266 -1.681 1.00 0.00 H new ATOM 700 N CYS A 46 6.798 0.480 -3.159 1.00 0.00 N ATOM 701 CA CYS A 46 7.283 -0.896 -2.829 1.00 0.00 C ATOM 702 C CYS A 46 8.155 -1.368 -3.979 1.00 0.00 C ATOM 703 O CYS A 46 9.292 -1.724 -3.758 1.00 0.00 O ATOM 704 CB CYS A 46 6.069 -1.813 -2.611 1.00 0.00 C ATOM 705 SG CYS A 46 6.353 -3.450 -1.895 1.00 0.00 S ATOM 0 H CYS A 46 5.927 0.542 -3.686 1.00 0.00 H new ATOM 0 HA CYS A 46 7.874 -0.910 -1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.365 -1.286 -1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.579 -1.951 -3.575 1.00 0.00 H new ATOM 710 N CYS A 47 7.622 -1.352 -5.180 1.00 0.00 N ATOM 711 CA CYS A 47 8.427 -1.805 -6.359 1.00 0.00 C ATOM 712 C CYS A 47 9.737 -1.001 -6.389 1.00 0.00 C ATOM 713 O CYS A 47 10.778 -1.620 -6.485 1.00 0.00 O ATOM 714 CB CYS A 47 7.697 -1.573 -7.715 1.00 0.00 C ATOM 715 SG CYS A 47 8.652 -2.026 -9.189 1.00 0.00 S ATOM 0 H CYS A 47 6.672 -1.047 -5.393 1.00 0.00 H new ATOM 0 HA CYS A 47 8.596 -2.876 -6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.769 -2.144 -7.713 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.423 -0.520 -7.787 1.00 0.00 H new ATOM 720 N PHE A 48 9.721 0.318 -6.322 1.00 0.00 N ATOM 721 CA PHE A 48 11.006 1.029 -6.348 1.00 0.00 C ATOM 722 C PHE A 48 11.548 1.163 -4.915 1.00 0.00 C ATOM 723 O PHE A 48 12.729 0.920 -4.764 1.00 0.00 O ATOM 724 CB PHE A 48 10.732 2.350 -6.988 1.00 0.00 C ATOM 725 CG PHE A 48 10.851 2.364 -8.519 1.00 0.00 C ATOM 726 CD1 PHE A 48 10.339 1.329 -9.282 1.00 0.00 C ATOM 727 CD2 PHE A 48 11.457 3.429 -9.155 1.00 0.00 C ATOM 728 CE1 PHE A 48 10.431 1.357 -10.656 1.00 0.00 C ATOM 729 CE2 PHE A 48 11.550 3.458 -10.531 1.00 0.00 C ATOM 730 CZ PHE A 48 11.038 2.425 -11.283 1.00 0.00 C ATOM 0 H PHE A 48 8.887 0.901 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 48 11.773 0.499 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.726 2.669 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.423 3.086 -6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.863 0.491 -8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.860 4.244 -8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.028 0.544 -11.242 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.026 4.295 -11.020 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.111 2.451 -12.360 1.00 0.00 H new ATOM 740 N ARG A 49 10.784 1.545 -3.907 1.00 0.00 N ATOM 741 CA ARG A 49 11.466 1.611 -2.563 1.00 0.00 C ATOM 742 C ARG A 49 11.205 0.214 -1.992 1.00 0.00 C ATOM 743 O ARG A 49 11.558 -0.776 -2.601 1.00 0.00 O ATOM 744 CB ARG A 49 10.840 2.803 -1.720 1.00 0.00 C ATOM 745 CG ARG A 49 10.744 4.041 -2.639 1.00 0.00 C ATOM 746 CD ARG A 49 9.848 5.080 -1.970 1.00 0.00 C ATOM 747 NE ARG A 49 10.693 5.797 -0.978 1.00 0.00 N ATOM 748 CZ ARG A 49 10.819 7.074 -1.141 1.00 0.00 C ATOM 749 NH1 ARG A 49 11.370 7.433 -2.260 1.00 0.00 N ATOM 750 NH2 ARG A 49 10.392 7.870 -0.211 1.00 0.00 N ATOM 0 H ARG A 49 9.796 1.796 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 49 12.534 1.827 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.853 2.528 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.460 3.021 -0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.736 4.456 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.336 3.760 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.443 5.774 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.999 4.602 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 49 11.150 5.307 -0.209 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.667 6.726 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.506 8.422 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.965 7.486 0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.483 8.880 -0.322 1.00 0.00 H new ATOM 764 N SER A 50 10.603 0.184 -0.846 1.00 0.00 N ATOM 765 CA SER A 50 10.260 -1.099 -0.155 1.00 0.00 C ATOM 766 C SER A 50 8.877 -1.023 0.502 1.00 0.00 C ATOM 767 O SER A 50 8.325 0.047 0.690 1.00 0.00 O ATOM 768 CB SER A 50 11.302 -1.414 0.932 1.00 0.00 C ATOM 769 OG SER A 50 12.463 -1.704 0.169 1.00 0.00 O ATOM 0 H SER A 50 10.321 1.020 -0.335 1.00 0.00 H new ATOM 0 HA SER A 50 10.255 -1.885 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.458 -0.569 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.001 -2.260 1.550 1.00 0.00 H new ATOM 0 HG SER A 50 12.480 -2.659 -0.050 1.00 0.00 H new ATOM 775 N CYS A 51 8.367 -2.185 0.827 1.00 0.00 N ATOM 776 CA CYS A 51 7.027 -2.325 1.480 1.00 0.00 C ATOM 777 C CYS A 51 7.209 -2.251 2.991 1.00 0.00 C ATOM 778 O CYS A 51 8.065 -2.927 3.517 1.00 0.00 O ATOM 779 CB CYS A 51 6.416 -3.672 1.097 1.00 0.00 C ATOM 780 SG CYS A 51 5.213 -3.637 -0.245 1.00 0.00 S ATOM 0 H CYS A 51 8.841 -3.073 0.661 1.00 0.00 H new ATOM 0 HA CYS A 51 6.363 -1.526 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 51 7.223 -4.349 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.935 -4.095 1.979 1.00 0.00 H new ATOM 785 N ASP A 52 6.403 -1.449 3.631 1.00 0.00 N ATOM 786 CA ASP A 52 6.490 -1.283 5.123 1.00 0.00 C ATOM 787 C ASP A 52 5.272 -1.880 5.845 1.00 0.00 C ATOM 788 O ASP A 52 5.002 -1.626 7.001 1.00 0.00 O ATOM 789 CB ASP A 52 6.593 0.206 5.387 1.00 0.00 C ATOM 790 CG ASP A 52 7.187 0.435 6.774 1.00 0.00 C ATOM 791 OD1 ASP A 52 8.389 0.240 6.857 1.00 0.00 O ATOM 792 OD2 ASP A 52 6.412 0.791 7.645 1.00 0.00 O ATOM 0 H ASP A 52 5.676 -0.891 3.183 1.00 0.00 H new ATOM 0 HA ASP A 52 7.357 -1.819 5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.218 0.678 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.608 0.667 5.321 1.00 0.00 H new ATOM 797 N LEU A 53 4.549 -2.677 5.119 1.00 0.00 N ATOM 798 CA LEU A 53 3.316 -3.354 5.640 1.00 0.00 C ATOM 799 C LEU A 53 2.256 -2.278 5.911 1.00 0.00 C ATOM 800 O LEU A 53 1.334 -2.150 5.136 1.00 0.00 O ATOM 801 CB LEU A 53 3.636 -4.135 6.961 1.00 0.00 C ATOM 802 CG LEU A 53 2.675 -5.347 7.152 1.00 0.00 C ATOM 803 CD1 LEU A 53 1.190 -4.998 6.969 1.00 0.00 C ATOM 804 CD2 LEU A 53 2.986 -6.429 6.125 1.00 0.00 C ATOM 0 H LEU A 53 4.764 -2.901 4.147 1.00 0.00 H new ATOM 0 HA LEU A 53 2.949 -4.070 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.667 -4.487 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.549 -3.462 7.814 1.00 0.00 H new ATOM 0 HG LEU A 53 2.838 -5.677 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.585 -5.892 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.902 -4.240 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.028 -4.614 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.309 -7.271 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.857 -6.025 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.015 -6.765 6.251 1.00 0.00 H new ATOM 816 N ALA A 54 2.411 -1.532 6.975 1.00 0.00 N ATOM 817 CA ALA A 54 1.445 -0.439 7.363 1.00 0.00 C ATOM 818 C ALA A 54 0.883 0.295 6.132 1.00 0.00 C ATOM 819 O ALA A 54 -0.275 0.669 6.068 1.00 0.00 O ATOM 820 CB ALA A 54 2.188 0.553 8.272 1.00 0.00 C ATOM 0 H ALA A 54 3.195 -1.634 7.619 1.00 0.00 H new ATOM 0 HA ALA A 54 0.597 -0.884 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.510 1.354 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.545 0.034 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.036 0.975 7.733 1.00 0.00 H new ATOM 826 N LEU A 55 1.780 0.458 5.200 1.00 0.00 N ATOM 827 CA LEU A 55 1.549 1.112 3.914 1.00 0.00 C ATOM 828 C LEU A 55 0.461 0.338 3.164 1.00 0.00 C ATOM 829 O LEU A 55 -0.616 0.790 2.817 1.00 0.00 O ATOM 830 CB LEU A 55 2.889 1.054 3.207 1.00 0.00 C ATOM 831 CG LEU A 55 3.863 2.200 3.485 1.00 0.00 C ATOM 832 CD1 LEU A 55 5.151 1.896 2.668 1.00 0.00 C ATOM 833 CD2 LEU A 55 3.239 3.535 3.059 1.00 0.00 C ATOM 0 H LEU A 55 2.739 0.129 5.308 1.00 0.00 H new ATOM 0 HA LEU A 55 1.204 2.143 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.377 0.119 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.706 1.016 2.133 1.00 0.00 H new ATOM 0 HG LEU A 55 4.095 2.280 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.882 2.688 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.570 0.943 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.905 1.844 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.940 4.345 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.013 3.507 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.320 3.702 3.620 1.00 0.00 H new ATOM 845 N LEU A 56 0.846 -0.882 2.961 1.00 0.00 N ATOM 846 CA LEU A 56 -0.005 -1.838 2.247 1.00 0.00 C ATOM 847 C LEU A 56 -1.301 -1.981 3.001 1.00 0.00 C ATOM 848 O LEU A 56 -2.332 -2.128 2.372 1.00 0.00 O ATOM 849 CB LEU A 56 0.758 -3.161 2.155 1.00 0.00 C ATOM 850 CG LEU A 56 2.148 -3.012 1.441 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.159 -2.002 0.255 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.333 -2.824 2.403 1.00 0.00 C ATOM 0 H LEU A 56 1.741 -1.260 3.272 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.243 -1.503 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.911 -3.558 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.152 -3.888 1.614 1.00 0.00 H new ATOM 0 HG LEU A 56 2.304 -3.988 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.158 -1.962 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.446 -2.324 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.881 -1.012 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.255 -2.729 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.180 -1.923 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.405 -3.687 3.065 1.00 0.00 H new ATOM 864 N GLU A 57 -1.241 -1.932 4.309 1.00 0.00 N ATOM 865 CA GLU A 57 -2.519 -2.069 5.062 1.00 0.00 C ATOM 866 C GLU A 57 -3.434 -0.904 4.620 1.00 0.00 C ATOM 867 O GLU A 57 -4.582 -1.086 4.261 1.00 0.00 O ATOM 868 CB GLU A 57 -2.287 -1.967 6.591 1.00 0.00 C ATOM 869 CG GLU A 57 -1.204 -2.969 6.967 1.00 0.00 C ATOM 870 CD GLU A 57 -1.329 -3.426 8.425 1.00 0.00 C ATOM 871 OE1 GLU A 57 -0.801 -2.717 9.265 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.946 -4.467 8.593 1.00 0.00 O ATOM 0 H GLU A 57 -0.397 -1.808 4.868 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.963 -3.042 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.984 -0.956 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.209 -2.180 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.267 -3.835 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.223 -2.520 6.810 1.00 0.00 H new ATOM 879 N THR A 58 -2.867 0.284 4.659 1.00 0.00 N ATOM 880 CA THR A 58 -3.626 1.513 4.258 1.00 0.00 C ATOM 881 C THR A 58 -3.851 1.613 2.731 1.00 0.00 C ATOM 882 O THR A 58 -4.631 2.458 2.322 1.00 0.00 O ATOM 883 CB THR A 58 -2.848 2.800 4.830 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.484 3.982 4.361 1.00 0.00 O ATOM 885 CG2 THR A 58 -1.444 3.014 4.299 1.00 0.00 C ATOM 0 H THR A 58 -1.905 0.453 4.954 1.00 0.00 H new ATOM 0 HA THR A 58 -4.626 1.460 4.689 1.00 0.00 H new ATOM 0 HB THR A 58 -2.843 2.621 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.058 3.764 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.016 3.908 4.752 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.826 2.151 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.479 3.137 3.217 1.00 0.00 H new ATOM 893 N TYR A 59 -3.204 0.804 1.920 1.00 0.00 N ATOM 894 CA TYR A 59 -3.463 0.925 0.433 1.00 0.00 C ATOM 895 C TYR A 59 -4.784 0.257 0.005 1.00 0.00 C ATOM 896 O TYR A 59 -5.297 0.516 -1.076 1.00 0.00 O ATOM 897 CB TYR A 59 -2.273 0.303 -0.327 1.00 0.00 C ATOM 898 CG TYR A 59 -1.350 1.473 -0.681 1.00 0.00 C ATOM 899 CD1 TYR A 59 -1.707 2.309 -1.707 1.00 0.00 C ATOM 900 CD2 TYR A 59 -0.191 1.739 0.007 1.00 0.00 C ATOM 901 CE1 TYR A 59 -0.919 3.386 -2.027 1.00 0.00 C ATOM 902 CE2 TYR A 59 0.591 2.818 -0.318 1.00 0.00 C ATOM 903 CZ TYR A 59 0.228 3.653 -1.343 1.00 0.00 C ATOM 904 OH TYR A 59 0.980 4.751 -1.691 1.00 0.00 O ATOM 0 H TYR A 59 -2.532 0.090 2.201 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.561 1.983 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.755 -0.431 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.610 -0.216 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.612 2.119 -2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.109 1.089 0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.215 4.035 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.498 3.011 0.236 1.00 0.00 H new ATOM 0 HH TYR A 59 1.932 4.522 -1.650 1.00 0.00 H new ATOM 914 N CYS A 60 -5.251 -0.598 0.881 1.00 0.00 N ATOM 915 CA CYS A 60 -6.519 -1.352 0.695 1.00 0.00 C ATOM 916 C CYS A 60 -7.767 -0.462 0.565 1.00 0.00 C ATOM 917 O CYS A 60 -7.723 0.733 0.766 1.00 0.00 O ATOM 918 CB CYS A 60 -6.717 -2.253 1.878 1.00 0.00 C ATOM 919 SG CYS A 60 -7.972 -3.520 1.618 1.00 0.00 S ATOM 0 H CYS A 60 -4.776 -0.810 1.759 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.417 -1.900 -0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.770 -2.736 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.996 -1.649 2.741 1.00 0.00 H new ATOM 924 N ALA A 61 -8.866 -1.093 0.236 1.00 0.00 N ATOM 925 CA ALA A 61 -10.174 -0.377 0.075 1.00 0.00 C ATOM 926 C ALA A 61 -10.967 -0.344 1.390 1.00 0.00 C ATOM 927 O ALA A 61 -12.094 0.107 1.426 1.00 0.00 O ATOM 928 CB ALA A 61 -11.027 -1.085 -0.980 1.00 0.00 C ATOM 0 H ALA A 61 -8.915 -2.098 0.068 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.950 0.645 -0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.976 -0.560 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.498 -1.088 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.215 -2.112 -0.667 1.00 0.00 H new ATOM 934 N THR A 62 -10.365 -0.819 2.448 1.00 0.00 N ATOM 935 CA THR A 62 -11.083 -0.815 3.755 1.00 0.00 C ATOM 936 C THR A 62 -11.502 0.568 4.261 1.00 0.00 C ATOM 937 O THR A 62 -12.466 0.637 5.000 1.00 0.00 O ATOM 938 CB THR A 62 -10.154 -1.596 4.772 1.00 0.00 C ATOM 939 OG1 THR A 62 -10.887 -1.712 5.991 1.00 0.00 O ATOM 940 CG2 THR A 62 -8.836 -0.895 5.117 1.00 0.00 C ATOM 0 H THR A 62 -9.421 -1.204 2.465 1.00 0.00 H new ATOM 0 HA THR A 62 -12.047 -1.309 3.638 1.00 0.00 H new ATOM 0 HB THR A 62 -9.893 -2.542 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.347 -2.193 6.653 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.271 -1.508 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.251 -0.752 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.047 0.074 5.569 1.00 0.00 H new ATOM 948 N PRO A 63 -10.843 1.640 3.896 1.00 0.00 N ATOM 949 CA PRO A 63 -11.417 2.984 4.115 1.00 0.00 C ATOM 950 C PRO A 63 -12.278 3.459 2.932 1.00 0.00 C ATOM 951 O PRO A 63 -12.361 4.645 2.686 1.00 0.00 O ATOM 952 CB PRO A 63 -10.193 3.773 4.361 1.00 0.00 C ATOM 953 CG PRO A 63 -9.247 3.274 3.241 1.00 0.00 C ATOM 954 CD PRO A 63 -9.482 1.745 3.267 1.00 0.00 C ATOM 0 HA PRO A 63 -12.134 3.056 4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.379 4.845 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.782 3.587 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.499 3.708 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.207 3.529 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.462 1.314 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.722 1.227 3.852 1.00 0.00 H new ATOM 962 N ALA A 64 -12.873 2.524 2.237 1.00 0.00 N ATOM 963 CA ALA A 64 -13.747 2.842 1.056 1.00 0.00 C ATOM 964 C ALA A 64 -14.532 4.141 1.241 1.00 0.00 C ATOM 965 O ALA A 64 -15.469 4.166 2.017 1.00 0.00 O ATOM 966 CB ALA A 64 -14.761 1.712 0.831 1.00 0.00 C ATOM 0 H ALA A 64 -12.790 1.528 2.440 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.080 2.952 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.389 1.952 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.230 0.779 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.385 1.601 1.718 1.00 0.00 H new ATOM 972 N LYS A 65 -14.144 5.176 0.546 1.00 0.00 N ATOM 973 CA LYS A 65 -14.833 6.442 0.656 1.00 0.00 C ATOM 974 C LYS A 65 -16.282 6.219 0.205 1.00 0.00 C ATOM 975 O LYS A 65 -16.534 5.614 -0.820 1.00 0.00 O ATOM 976 CB LYS A 65 -14.038 7.383 -0.220 1.00 0.00 C ATOM 977 CG LYS A 65 -13.786 6.854 -1.663 1.00 0.00 C ATOM 978 CD LYS A 65 -13.804 8.028 -2.680 1.00 0.00 C ATOM 979 CE LYS A 65 -12.823 9.153 -2.270 1.00 0.00 C ATOM 980 NZ LYS A 65 -12.703 10.151 -3.380 1.00 0.00 N ATOM 0 H LYS A 65 -13.357 5.172 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.894 6.863 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.564 8.336 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.077 7.579 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.825 6.341 -1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.550 6.123 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.539 7.657 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.813 8.433 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.177 9.644 -1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.845 8.730 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.043 10.904 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.346 9.678 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.637 10.564 -3.578 1.00 0.00 H new ATOM 994 N SER A 66 -17.178 6.711 1.001 1.00 0.00 N ATOM 995 CA SER A 66 -18.627 6.581 0.715 1.00 0.00 C ATOM 996 C SER A 66 -19.180 7.912 1.218 1.00 0.00 C ATOM 997 O SER A 66 -19.000 8.236 2.380 1.00 0.00 O ATOM 998 CB SER A 66 -19.154 5.378 1.509 1.00 0.00 C ATOM 999 OG SER A 66 -20.426 5.082 0.945 1.00 0.00 O ATOM 0 H SER A 66 -16.961 7.212 1.863 1.00 0.00 H new ATOM 0 HA SER A 66 -18.899 6.405 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 66 -18.479 4.526 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.240 5.614 2.570 1.00 0.00 H new ATOM 0 HG SER A 66 -20.820 4.315 1.410 1.00 0.00 H new ATOM 1005 N GLU A 67 -19.812 8.620 0.328 1.00 0.00 N ATOM 1006 CA GLU A 67 -20.419 9.945 0.629 1.00 0.00 C ATOM 1007 C GLU A 67 -21.936 9.853 0.377 1.00 0.00 C ATOM 1008 O GLU A 67 -22.656 10.612 1.011 1.00 0.00 O ATOM 1009 CB GLU A 67 -19.788 10.992 -0.305 1.00 0.00 C ATOM 1010 CG GLU A 67 -18.228 11.079 -0.142 1.00 0.00 C ATOM 1011 CD GLU A 67 -17.477 9.803 -0.582 1.00 0.00 C ATOM 1012 OE1 GLU A 67 -17.823 9.252 -1.614 1.00 0.00 O ATOM 1013 OE2 GLU A 67 -16.572 9.439 0.151 1.00 0.00 O ATOM 1014 OXT GLU A 67 -22.276 9.018 -0.449 1.00 0.00 O ATOM 0 H GLU A 67 -19.938 8.320 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.241 10.232 1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.029 10.745 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.227 11.969 -0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.859 11.924 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.993 11.284 0.902 1.00 0.00 H new TER 1021 GLU A 67