USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 249 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 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.0855 (180deg=-0.674) USER MOD Single : A 40 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.18) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -18.423 -9.199 1.157 1.00 0.00 N ATOM 2 CA LEU A 22 -19.123 -8.223 0.281 1.00 0.00 C ATOM 3 C LEU A 22 -18.854 -6.788 0.731 1.00 0.00 C ATOM 4 O LEU A 22 -17.939 -6.534 1.515 1.00 0.00 O ATOM 5 CB LEU A 22 -20.624 -8.523 0.324 1.00 0.00 C ATOM 6 CG LEU A 22 -21.238 -8.943 -1.013 1.00 0.00 C ATOM 7 CD1 LEU A 22 -22.722 -9.237 -0.849 1.00 0.00 C ATOM 8 CD2 LEU A 22 -21.020 -7.864 -2.062 1.00 0.00 C ATOM 0 HA LEU A 22 -18.750 -8.320 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -20.800 -9.315 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -21.146 -7.637 0.684 1.00 0.00 H new ATOM 0 HG LEU A 22 -20.742 -9.854 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -23.142 -9.534 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.856 -10.044 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.233 -8.343 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -21.463 -8.180 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -21.489 -6.937 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -19.951 -7.701 -2.199 1.00 0.00 H new ATOM 22 N TYR A 23 -19.660 -5.856 0.232 1.00 0.00 N ATOM 23 CA TYR A 23 -19.509 -4.434 0.589 1.00 0.00 C ATOM 24 C TYR A 23 -18.083 -3.952 0.296 1.00 0.00 C ATOM 25 O TYR A 23 -17.224 -4.756 -0.064 1.00 0.00 O ATOM 26 CB TYR A 23 -19.830 -4.234 2.077 1.00 0.00 C ATOM 27 CG TYR A 23 -21.068 -4.973 2.532 1.00 0.00 C ATOM 28 CD1 TYR A 23 -20.994 -6.286 2.978 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.312 -4.355 2.515 1.00 0.00 C ATOM 30 CE1 TYR A 23 -22.125 -6.963 3.394 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.448 -5.025 2.930 1.00 0.00 C ATOM 32 CZ TYR A 23 -23.349 -6.328 3.369 1.00 0.00 C ATOM 33 OH TYR A 23 -24.477 -6.999 3.782 1.00 0.00 O ATOM 0 H TYR A 23 -20.422 -6.050 -0.417 1.00 0.00 H new ATOM 0 HA TYR A 23 -20.204 -3.849 -0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.979 -4.566 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -19.960 -3.170 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -20.037 -6.786 3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -22.393 -3.334 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -22.051 -7.984 3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -24.408 -4.530 2.910 1.00 0.00 H new ATOM 0 HH TYR A 23 -25.256 -6.409 3.703 1.00 0.00 H new ATOM 43 N PRO A 24 -17.787 -2.641 0.463 1.00 0.00 N ATOM 44 CA PRO A 24 -16.449 -2.110 0.229 1.00 0.00 C ATOM 45 C PRO A 24 -15.434 -2.744 1.145 1.00 0.00 C ATOM 46 O PRO A 24 -15.768 -3.598 1.966 1.00 0.00 O ATOM 47 CB PRO A 24 -16.593 -0.625 0.587 1.00 0.00 C ATOM 48 CG PRO A 24 -18.021 -0.341 0.418 1.00 0.00 C ATOM 49 CD PRO A 24 -18.692 -1.569 0.914 1.00 0.00 C ATOM 0 HA PRO A 24 -16.106 -2.296 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.268 -0.430 1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.984 0.001 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.324 0.537 0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.268 -0.145 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.800 -1.561 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.692 -1.681 0.495 1.00 0.00 H new ATOM 57 N ASP A 25 -14.206 -2.271 1.055 1.00 0.00 N ATOM 58 CA ASP A 25 -13.172 -2.740 1.929 1.00 0.00 C ATOM 59 C ASP A 25 -13.446 -2.168 3.304 1.00 0.00 C ATOM 60 O ASP A 25 -12.825 -2.543 4.298 1.00 0.00 O ATOM 61 CB ASP A 25 -11.824 -2.274 1.404 1.00 0.00 C ATOM 62 CG ASP A 25 -10.698 -3.230 1.744 1.00 0.00 C ATOM 63 OD1 ASP A 25 -10.170 -3.148 2.873 1.00 0.00 O ATOM 64 OD2 ASP A 25 -10.343 -4.061 0.882 1.00 0.00 O ATOM 0 H ASP A 25 -13.910 -1.563 0.383 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.155 -3.829 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.881 -2.158 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.598 -1.292 1.818 1.00 0.00 H new ATOM 69 N LEU A 26 -14.383 -1.217 3.324 1.00 0.00 N ATOM 70 CA LEU A 26 -14.766 -0.524 4.527 1.00 0.00 C ATOM 71 C LEU A 26 -13.565 0.242 5.068 1.00 0.00 C ATOM 72 O LEU A 26 -13.615 0.844 6.141 1.00 0.00 O ATOM 73 CB LEU A 26 -15.335 -1.502 5.554 1.00 0.00 C ATOM 74 CG LEU A 26 -16.825 -1.322 5.853 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.333 -2.453 6.734 1.00 0.00 C ATOM 76 CD2 LEU A 26 -17.077 0.025 6.512 1.00 0.00 C ATOM 0 H LEU A 26 -14.892 -0.914 2.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.556 0.193 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.170 -2.519 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.777 -1.396 6.484 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.372 -1.350 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.394 -2.308 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.187 -3.405 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.782 -2.457 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.142 0.136 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.519 0.083 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.751 0.823 5.845 1.00 0.00 H new ATOM 88 N SER A 27 -12.490 0.221 4.280 1.00 0.00 N ATOM 89 CA SER A 27 -11.262 0.908 4.609 1.00 0.00 C ATOM 90 C SER A 27 -11.009 2.020 3.598 1.00 0.00 C ATOM 91 O SER A 27 -11.058 3.196 3.944 1.00 0.00 O ATOM 92 CB SER A 27 -10.088 -0.072 4.610 1.00 0.00 C ATOM 93 OG SER A 27 -10.038 -0.809 5.820 1.00 0.00 O ATOM 0 H SER A 27 -12.457 -0.279 3.392 1.00 0.00 H new ATOM 0 HA SER A 27 -11.356 1.340 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.182 -0.757 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.154 0.474 4.475 1.00 0.00 H new ATOM 0 HG SER A 27 -9.280 -1.429 5.794 1.00 0.00 H new ATOM 99 N GLU A 28 -10.753 1.617 2.344 1.00 0.00 N ATOM 100 CA GLU A 28 -10.483 2.531 1.211 1.00 0.00 C ATOM 101 C GLU A 28 -10.060 3.966 1.623 1.00 0.00 C ATOM 102 O GLU A 28 -10.300 4.930 0.897 1.00 0.00 O ATOM 103 CB GLU A 28 -11.719 2.611 0.326 1.00 0.00 C ATOM 104 CG GLU A 28 -12.979 2.899 1.119 1.00 0.00 C ATOM 105 CD GLU A 28 -13.787 4.045 0.542 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.386 5.211 0.736 1.00 0.00 O ATOM 107 OE2 GLU A 28 -14.821 3.775 -0.105 1.00 0.00 O ATOM 0 H GLU A 28 -10.726 0.632 2.079 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.631 2.106 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.577 3.391 -0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.839 1.671 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.598 2.002 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.709 3.133 2.149 1.00 0.00 H new ATOM 114 N ILE A 29 -9.434 4.065 2.779 1.00 0.00 N ATOM 115 CA ILE A 29 -8.934 5.302 3.381 1.00 0.00 C ATOM 116 C ILE A 29 -8.483 4.864 4.747 1.00 0.00 C ATOM 117 O ILE A 29 -8.922 5.330 5.798 1.00 0.00 O ATOM 118 CB ILE A 29 -9.986 6.430 3.487 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.372 5.857 3.790 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.016 7.255 2.209 1.00 0.00 C ATOM 121 CD1 ILE A 29 -12.435 6.917 3.981 1.00 0.00 C ATOM 0 H ILE A 29 -9.247 3.247 3.360 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.150 5.744 2.767 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.701 7.083 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.670 5.198 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.315 5.245 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.762 8.044 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.036 7.701 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.271 6.612 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.392 6.439 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.160 7.562 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.521 7.514 3.073 1.00 0.00 H new ATOM 133 N LYS A 30 -7.653 3.860 4.636 1.00 0.00 N ATOM 134 CA LYS A 30 -7.087 3.107 5.717 1.00 0.00 C ATOM 135 C LYS A 30 -6.247 2.038 5.042 1.00 0.00 C ATOM 136 O LYS A 30 -5.100 1.796 5.392 1.00 0.00 O ATOM 137 CB LYS A 30 -8.207 2.490 6.553 1.00 0.00 C ATOM 138 CG LYS A 30 -7.883 2.387 8.035 1.00 0.00 C ATOM 139 CD LYS A 30 -9.133 2.529 8.889 1.00 0.00 C ATOM 140 CE LYS A 30 -8.797 2.562 10.372 1.00 0.00 C ATOM 141 NZ LYS A 30 -9.259 1.333 11.074 1.00 0.00 N ATOM 0 H LYS A 30 -7.335 3.527 3.726 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.488 3.714 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.111 3.087 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.427 1.494 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.409 1.427 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.165 3.161 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.660 3.443 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.809 1.698 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.720 2.668 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.259 3.437 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.011 1.395 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.291 1.244 10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.799 0.500 10.655 1.00 0.00 H new ATOM 155 N LYS A 31 -6.861 1.490 3.987 1.00 0.00 N ATOM 156 CA LYS A 31 -6.273 0.525 3.094 1.00 0.00 C ATOM 157 C LYS A 31 -5.225 1.249 2.272 1.00 0.00 C ATOM 158 O LYS A 31 -4.052 0.891 2.264 1.00 0.00 O ATOM 159 CB LYS A 31 -7.367 0.008 2.159 1.00 0.00 C ATOM 160 CG LYS A 31 -7.081 -1.355 1.566 1.00 0.00 C ATOM 161 CD LYS A 31 -7.309 -1.337 0.070 1.00 0.00 C ATOM 162 CE LYS A 31 -6.297 -0.444 -0.632 1.00 0.00 C ATOM 163 NZ LYS A 31 -6.748 -0.062 -1.998 1.00 0.00 N ATOM 0 H LYS A 31 -7.821 1.727 3.735 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.829 -0.306 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.308 -0.037 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.505 0.723 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.052 -1.643 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.724 -2.103 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.237 -2.351 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.318 -0.984 -0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.134 0.456 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.340 -0.961 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.031 0.546 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.880 -0.919 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.649 0.454 -1.935 1.00 0.00 H new ATOM 177 N GLU A 32 -5.683 2.318 1.623 1.00 0.00 N ATOM 178 CA GLU A 32 -4.822 3.186 0.823 1.00 0.00 C ATOM 179 C GLU A 32 -3.784 3.801 1.734 1.00 0.00 C ATOM 180 O GLU A 32 -2.674 4.137 1.322 1.00 0.00 O ATOM 181 CB GLU A 32 -5.633 4.299 0.157 1.00 0.00 C ATOM 182 CG GLU A 32 -7.087 3.949 -0.023 1.00 0.00 C ATOM 183 CD GLU A 32 -7.628 4.338 -1.385 1.00 0.00 C ATOM 184 OE1 GLU A 32 -7.817 5.549 -1.625 1.00 0.00 O ATOM 185 OE2 GLU A 32 -7.864 3.431 -2.211 1.00 0.00 O ATOM 0 H GLU A 32 -6.661 2.606 1.637 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.348 2.594 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.556 5.205 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.197 4.524 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.217 2.876 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.673 4.447 0.750 1.00 0.00 H new ATOM 192 N TYR A 33 -4.165 3.895 2.998 1.00 0.00 N ATOM 193 CA TYR A 33 -3.301 4.410 4.035 1.00 0.00 C ATOM 194 C TYR A 33 -2.418 3.279 4.484 1.00 0.00 C ATOM 195 O TYR A 33 -1.308 3.467 4.980 1.00 0.00 O ATOM 196 CB TYR A 33 -4.157 4.917 5.183 1.00 0.00 C ATOM 197 CG TYR A 33 -3.497 4.805 6.530 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.516 5.702 6.913 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.856 3.799 7.408 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.906 5.602 8.149 1.00 0.00 C ATOM 201 CE2 TYR A 33 -3.254 3.687 8.646 1.00 0.00 C ATOM 202 CZ TYR A 33 -2.279 4.592 9.013 1.00 0.00 C ATOM 203 OH TYR A 33 -1.675 4.487 10.245 1.00 0.00 O ATOM 0 H TYR A 33 -5.088 3.613 3.330 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.688 5.237 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.412 5.961 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.093 4.358 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.223 6.491 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.619 3.090 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.142 6.309 8.437 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.544 2.897 9.322 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.053 3.724 10.730 1.00 0.00 H new ATOM 213 N ASN A 34 -2.950 2.097 4.276 1.00 0.00 N ATOM 214 CA ASN A 34 -2.287 0.883 4.609 1.00 0.00 C ATOM 215 C ASN A 34 -1.412 0.430 3.467 1.00 0.00 C ATOM 216 O ASN A 34 -0.578 -0.462 3.615 1.00 0.00 O ATOM 217 CB ASN A 34 -3.320 -0.185 4.901 1.00 0.00 C ATOM 218 CG ASN A 34 -2.892 -1.137 6.001 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.857 -0.772 7.176 1.00 0.00 O ATOM 220 ND2 ASN A 34 -2.564 -2.368 5.623 1.00 0.00 N ATOM 0 H ASN A 34 -3.873 1.963 3.863 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.663 1.050 5.487 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.258 0.292 5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.515 -0.753 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.269 -3.053 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.608 -2.628 4.638 1.00 0.00 H new ATOM 227 N VAL A 35 -1.637 1.031 2.315 1.00 0.00 N ATOM 228 CA VAL A 35 -0.898 0.668 1.136 1.00 0.00 C ATOM 229 C VAL A 35 0.081 1.749 0.710 1.00 0.00 C ATOM 230 O VAL A 35 1.137 1.456 0.174 1.00 0.00 O ATOM 231 CB VAL A 35 -1.833 0.349 -0.040 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.041 -0.160 -1.236 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.896 -0.659 0.374 1.00 0.00 C ATOM 0 H VAL A 35 -2.326 1.771 2.177 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.333 -0.225 1.403 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.336 1.270 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.723 -0.380 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.328 0.602 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.504 -1.067 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.547 -0.870 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.415 -1.581 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.488 -0.248 1.192 1.00 0.00 H new ATOM 243 N LYS A 36 -0.281 2.991 0.953 1.00 0.00 N ATOM 244 CA LYS A 36 0.549 4.122 0.604 1.00 0.00 C ATOM 245 C LYS A 36 1.896 4.019 1.282 1.00 0.00 C ATOM 246 O LYS A 36 2.907 4.517 0.789 1.00 0.00 O ATOM 247 CB LYS A 36 -0.132 5.404 1.029 1.00 0.00 C ATOM 248 CG LYS A 36 -0.531 5.394 2.489 1.00 0.00 C ATOM 249 CD LYS A 36 0.609 5.855 3.384 1.00 0.00 C ATOM 250 CE LYS A 36 0.125 6.827 4.448 1.00 0.00 C ATOM 251 NZ LYS A 36 1.228 7.254 5.354 1.00 0.00 N ATOM 0 H LYS A 36 -1.162 3.244 1.400 1.00 0.00 H new ATOM 0 HA LYS A 36 0.697 4.125 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.537 6.245 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.019 5.561 0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.394 6.043 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.836 4.388 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.070 4.991 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.379 6.332 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.310 7.703 3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.666 6.359 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.857 7.916 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.627 6.421 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.971 7.724 4.799 1.00 0.00 H new ATOM 265 N GLU A 37 1.880 3.354 2.419 1.00 0.00 N ATOM 266 CA GLU A 37 3.079 3.142 3.214 1.00 0.00 C ATOM 267 C GLU A 37 3.874 1.975 2.646 1.00 0.00 C ATOM 268 O GLU A 37 5.082 1.858 2.852 1.00 0.00 O ATOM 269 CB GLU A 37 2.713 2.869 4.675 1.00 0.00 C ATOM 270 CG GLU A 37 1.900 1.599 4.872 1.00 0.00 C ATOM 271 CD GLU A 37 1.879 1.140 6.317 1.00 0.00 C ATOM 272 OE1 GLU A 37 1.640 1.986 7.205 1.00 0.00 O ATOM 273 OE2 GLU A 37 2.101 -0.064 6.561 1.00 0.00 O ATOM 0 H GLU A 37 1.037 2.944 2.821 1.00 0.00 H new ATOM 0 HA GLU A 37 3.690 4.044 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.628 2.799 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.148 3.716 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.878 1.770 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.314 0.806 4.249 1.00 0.00 H new ATOM 280 N LYS A 38 3.167 1.126 1.915 1.00 0.00 N ATOM 281 CA LYS A 38 3.735 -0.031 1.279 1.00 0.00 C ATOM 282 C LYS A 38 3.997 0.264 -0.164 1.00 0.00 C ATOM 283 O LYS A 38 4.962 -0.206 -0.743 1.00 0.00 O ATOM 284 CB LYS A 38 2.774 -1.197 1.397 1.00 0.00 C ATOM 285 CG LYS A 38 3.231 -2.444 0.666 1.00 0.00 C ATOM 286 CD LYS A 38 2.130 -3.491 0.616 1.00 0.00 C ATOM 287 CE LYS A 38 2.517 -4.748 1.378 1.00 0.00 C ATOM 288 NZ LYS A 38 3.771 -5.353 0.851 1.00 0.00 N ATOM 0 H LYS A 38 2.166 1.233 1.750 1.00 0.00 H new ATOM 0 HA LYS A 38 4.675 -0.287 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.635 -1.436 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.802 -0.895 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.534 -2.183 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.108 -2.859 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.214 -3.077 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.916 -3.746 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.646 -4.508 2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.708 -5.475 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.777 -6.373 1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.822 -5.205 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.591 -4.904 1.307 1.00 0.00 H new ATOM 302 N ASP A 39 3.149 1.094 -0.719 1.00 0.00 N ATOM 303 CA ASP A 39 3.299 1.506 -2.100 1.00 0.00 C ATOM 304 C ASP A 39 4.424 2.516 -2.189 1.00 0.00 C ATOM 305 O ASP A 39 4.629 3.165 -3.215 1.00 0.00 O ATOM 306 CB ASP A 39 2.003 2.102 -2.622 1.00 0.00 C ATOM 307 CG ASP A 39 1.746 1.755 -4.075 1.00 0.00 C ATOM 308 OD1 ASP A 39 1.779 0.553 -4.413 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.511 2.685 -4.875 1.00 0.00 O ATOM 0 H ASP A 39 2.346 1.500 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 39 3.538 0.639 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.172 1.744 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.035 3.186 -2.511 1.00 0.00 H new ATOM 314 N GLN A 40 5.137 2.648 -1.078 1.00 0.00 N ATOM 315 CA GLN A 40 6.228 3.573 -0.973 1.00 0.00 C ATOM 316 C GLN A 40 7.507 2.900 -0.465 1.00 0.00 C ATOM 317 O GLN A 40 8.548 3.548 -0.349 1.00 0.00 O ATOM 318 CB GLN A 40 5.810 4.716 -0.053 1.00 0.00 C ATOM 319 CG GLN A 40 5.819 4.364 1.427 1.00 0.00 C ATOM 320 CD GLN A 40 6.491 5.427 2.275 1.00 0.00 C ATOM 321 OE1 GLN A 40 6.332 6.623 2.031 1.00 0.00 O ATOM 322 NE2 GLN A 40 7.247 4.995 3.277 1.00 0.00 N ATOM 0 H GLN A 40 4.965 2.109 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 40 6.458 3.959 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.478 5.562 -0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.808 5.042 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.794 4.225 1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.333 3.413 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.351 3.994 3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.724 5.664 3.881 1.00 0.00 H new ATOM 331 N VAL A 41 7.429 1.605 -0.151 1.00 0.00 N ATOM 332 CA VAL A 41 8.587 0.879 0.352 1.00 0.00 C ATOM 333 C VAL A 41 8.972 -0.285 -0.547 1.00 0.00 C ATOM 334 O VAL A 41 10.147 -0.460 -0.863 1.00 0.00 O ATOM 335 CB VAL A 41 8.341 0.376 1.779 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.462 -0.544 2.244 1.00 0.00 C ATOM 337 CG2 VAL A 41 8.170 1.546 2.736 1.00 0.00 C ATOM 0 H VAL A 41 6.581 1.045 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 41 9.419 1.584 0.359 1.00 0.00 H new ATOM 0 HB VAL A 41 7.418 -0.204 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.257 -0.883 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.525 -1.406 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.408 -0.003 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.996 1.169 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.072 2.158 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.319 2.151 2.423 1.00 0.00 H new ATOM 347 N GLU A 42 7.988 -1.080 -0.956 1.00 0.00 N ATOM 348 CA GLU A 42 8.258 -2.233 -1.833 1.00 0.00 C ATOM 349 C GLU A 42 9.289 -1.852 -2.892 1.00 0.00 C ATOM 350 O GLU A 42 10.100 -2.674 -3.316 1.00 0.00 O ATOM 351 CB GLU A 42 6.990 -2.775 -2.525 1.00 0.00 C ATOM 352 CG GLU A 42 5.719 -1.978 -2.282 1.00 0.00 C ATOM 353 CD GLU A 42 4.640 -2.280 -3.304 1.00 0.00 C ATOM 354 OE1 GLU A 42 4.836 -1.943 -4.491 1.00 0.00 O ATOM 355 OE2 GLU A 42 3.600 -2.853 -2.918 1.00 0.00 O ATOM 0 H GLU A 42 7.008 -0.957 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 42 8.643 -3.028 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.173 -2.815 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.825 -3.799 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.341 -2.198 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.951 -0.913 -2.307 1.00 0.00 H new ATOM 362 N ASP A 43 9.252 -0.587 -3.294 1.00 0.00 N ATOM 363 CA ASP A 43 10.178 -0.054 -4.281 1.00 0.00 C ATOM 364 C ASP A 43 11.600 -0.148 -3.789 1.00 0.00 C ATOM 365 O ASP A 43 12.489 -0.640 -4.481 1.00 0.00 O ATOM 366 CB ASP A 43 9.848 1.410 -4.555 1.00 0.00 C ATOM 367 CG ASP A 43 9.188 1.621 -5.904 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.885 1.493 -6.932 1.00 0.00 O ATOM 369 OD2 ASP A 43 7.974 1.914 -5.931 1.00 0.00 O ATOM 0 H ASP A 43 8.580 0.096 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 43 10.078 -0.641 -5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.189 1.782 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.764 1.999 -4.508 1.00 0.00 H new ATOM 374 N LEU A 44 11.806 0.350 -2.593 1.00 0.00 N ATOM 375 CA LEU A 44 13.118 0.360 -1.993 1.00 0.00 C ATOM 376 C LEU A 44 13.593 -1.035 -1.606 1.00 0.00 C ATOM 377 O LEU A 44 14.536 -1.198 -0.832 1.00 0.00 O ATOM 378 CB LEU A 44 13.156 1.314 -0.810 1.00 0.00 C ATOM 379 CG LEU A 44 13.345 2.768 -1.228 1.00 0.00 C ATOM 380 CD1 LEU A 44 12.161 3.616 -0.788 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.646 3.327 -0.670 1.00 0.00 C ATOM 0 H LEU A 44 11.074 0.757 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 44 13.818 0.721 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.229 1.221 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.967 1.025 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 44 13.400 2.802 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.319 4.649 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.249 3.235 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.066 3.573 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.759 4.365 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.627 3.275 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.485 2.742 -1.047 1.00 0.00 H new ATOM 393 N ASN A 45 12.952 -2.028 -2.190 1.00 0.00 N ATOM 394 CA ASN A 45 13.298 -3.423 -1.976 1.00 0.00 C ATOM 395 C ASN A 45 13.213 -4.163 -3.305 1.00 0.00 C ATOM 396 O ASN A 45 14.020 -5.045 -3.597 1.00 0.00 O ATOM 397 CB ASN A 45 12.366 -4.056 -0.944 1.00 0.00 C ATOM 398 CG ASN A 45 12.664 -5.525 -0.714 1.00 0.00 C ATOM 399 OD1 ASN A 45 13.813 -5.911 -0.501 1.00 0.00 O ATOM 400 ND2 ASN A 45 11.626 -6.353 -0.756 1.00 0.00 N ATOM 0 H ASN A 45 12.171 -1.891 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 45 14.315 -3.490 -1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.456 -3.518 -0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.334 -3.946 -1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.765 -7.353 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.690 -5.989 -0.936 1.00 0.00 H new ATOM 407 N LEU A 46 12.242 -3.760 -4.118 1.00 0.00 N ATOM 408 CA LEU A 46 12.047 -4.333 -5.438 1.00 0.00 C ATOM 409 C LEU A 46 12.175 -3.230 -6.473 1.00 0.00 C ATOM 410 O LEU A 46 11.387 -3.127 -7.413 1.00 0.00 O ATOM 411 CB LEU A 46 10.683 -5.013 -5.541 1.00 0.00 C ATOM 412 CG LEU A 46 10.660 -6.297 -6.372 1.00 0.00 C ATOM 413 CD1 LEU A 46 10.974 -7.502 -5.499 1.00 0.00 C ATOM 414 CD2 LEU A 46 9.310 -6.466 -7.052 1.00 0.00 C ATOM 0 H LEU A 46 11.572 -3.029 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 46 12.806 -5.094 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.332 -5.243 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.974 -4.307 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 46 11.427 -6.223 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.953 -8.407 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.964 -7.384 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.230 -7.580 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.311 -7.384 -7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.526 -6.519 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.124 -5.616 -7.708 1.00 0.00 H new ATOM 426 N ASP A 47 13.193 -2.412 -6.267 1.00 0.00 N ATOM 427 CA ASP A 47 13.495 -1.292 -7.134 1.00 0.00 C ATOM 428 C ASP A 47 14.699 -0.510 -6.612 1.00 0.00 C ATOM 429 O ASP A 47 15.443 0.090 -7.387 1.00 0.00 O ATOM 430 CB ASP A 47 12.292 -0.361 -7.260 1.00 0.00 C ATOM 431 CG ASP A 47 11.490 -0.613 -8.521 1.00 0.00 C ATOM 432 OD1 ASP A 47 12.070 -0.515 -9.623 1.00 0.00 O ATOM 433 OD2 ASP A 47 10.281 -0.909 -8.408 1.00 0.00 O ATOM 0 H ASP A 47 13.839 -2.510 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 47 13.734 -1.692 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.646 -0.488 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.635 0.673 -7.253 1.00 0.00 H new ATOM 438 N SER A 48 14.887 -0.522 -5.295 1.00 0.00 N ATOM 439 CA SER A 48 16.006 0.189 -4.685 1.00 0.00 C ATOM 440 C SER A 48 17.314 -0.416 -5.152 1.00 0.00 C ATOM 441 O SER A 48 18.274 0.292 -5.456 1.00 0.00 O ATOM 442 CB SER A 48 15.946 0.125 -3.158 1.00 0.00 C ATOM 443 OG SER A 48 17.244 0.166 -2.588 1.00 0.00 O ATOM 0 H SER A 48 14.284 -1.012 -4.634 1.00 0.00 H new ATOM 0 HA SER A 48 15.941 1.233 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.354 0.959 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.440 -0.790 -2.850 1.00 0.00 H new ATOM 0 HG SER A 48 17.174 0.125 -1.611 1.00 0.00 H new ATOM 449 N LEU A 49 17.330 -1.741 -5.219 1.00 0.00 N ATOM 450 CA LEU A 49 18.511 -2.467 -5.668 1.00 0.00 C ATOM 451 C LEU A 49 18.527 -2.539 -7.191 1.00 0.00 C ATOM 452 O LEU A 49 19.246 -3.336 -7.795 1.00 0.00 O ATOM 453 CB LEU A 49 18.531 -3.866 -5.043 1.00 0.00 C ATOM 454 CG LEU A 49 17.904 -4.978 -5.892 1.00 0.00 C ATOM 455 CD1 LEU A 49 18.984 -5.862 -6.499 1.00 0.00 C ATOM 456 CD2 LEU A 49 16.939 -5.808 -5.058 1.00 0.00 C ATOM 0 H LEU A 49 16.539 -2.334 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 49 19.409 -1.940 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 49 19.566 -4.135 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.009 -3.825 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 49 17.344 -4.515 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.519 -6.645 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 49 19.635 -5.259 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 49 19.573 -6.316 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.504 -6.592 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.475 -6.260 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.145 -5.167 -4.674 1.00 0.00 H new ATOM 468 N TRP A 50 17.709 -1.690 -7.785 1.00 0.00 N ATOM 469 CA TRP A 50 17.558 -1.594 -9.223 1.00 0.00 C ATOM 470 C TRP A 50 17.964 -0.203 -9.695 1.00 0.00 C ATOM 471 O TRP A 50 18.131 0.047 -10.889 1.00 0.00 O ATOM 472 CB TRP A 50 16.095 -1.846 -9.589 1.00 0.00 C ATOM 473 CG TRP A 50 15.498 -3.037 -8.901 1.00 0.00 C ATOM 474 CD1 TRP A 50 15.517 -3.305 -7.565 1.00 0.00 C ATOM 475 CD2 TRP A 50 14.776 -4.106 -9.513 1.00 0.00 C ATOM 476 NE1 TRP A 50 14.870 -4.490 -7.310 1.00 0.00 N ATOM 477 CE2 TRP A 50 14.404 -5.001 -8.493 1.00 0.00 C ATOM 478 CE3 TRP A 50 14.415 -4.394 -10.826 1.00 0.00 C ATOM 479 CZ2 TRP A 50 13.688 -6.167 -8.751 1.00 0.00 C ATOM 480 CZ3 TRP A 50 13.702 -5.550 -11.085 1.00 0.00 C ATOM 481 CH2 TRP A 50 13.346 -6.425 -10.051 1.00 0.00 C ATOM 0 H TRP A 50 17.120 -1.035 -7.270 1.00 0.00 H new ATOM 0 HA TRP A 50 18.195 -2.335 -9.705 1.00 0.00 H new ATOM 0 HB2 TRP A 50 15.509 -0.961 -9.338 1.00 0.00 H new ATOM 0 HB3 TRP A 50 16.018 -1.984 -10.667 1.00 0.00 H new ATOM 0 HD1 TRP A 50 15.974 -2.677 -6.815 1.00 0.00 H new ATOM 0 HE1 TRP A 50 14.755 -4.919 -6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 50 14.687 -3.725 -11.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.413 -6.843 -7.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 13.415 -5.782 -12.100 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.790 -7.321 -10.284 1.00 0.00 H new ATOM 492 N GLU A 51 18.100 0.696 -8.730 1.00 0.00 N ATOM 493 CA GLU A 51 18.462 2.076 -8.984 1.00 0.00 C ATOM 494 C GLU A 51 19.944 2.207 -9.330 1.00 0.00 C ATOM 495 O GLU A 51 20.780 1.703 -8.551 1.00 0.00 O ATOM 496 CB GLU A 51 18.115 2.899 -7.741 1.00 0.00 C ATOM 497 CG GLU A 51 19.145 2.794 -6.628 1.00 0.00 C ATOM 498 CD GLU A 51 20.288 3.775 -6.796 1.00 0.00 C ATOM 499 OE1 GLU A 51 20.029 4.924 -7.212 1.00 0.00 O ATOM 500 OE2 GLU A 51 21.443 3.394 -6.511 1.00 0.00 O ATOM 501 OXT GLU A 51 20.255 2.812 -10.378 1.00 0.00 O ATOM 0 H GLU A 51 17.960 0.482 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 51 17.904 2.448 -9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.009 3.945 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.147 2.573 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.658 2.971 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.543 1.780 -6.601 1.00 0.00 H new TER 508 GLU A 51