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+ -145:sc= -0.403 (180deg=-1.62!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.012) USER MOD Single : A 45 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -22.226 -6.128 3.873 1.00 0.00 N ATOM 2 CA LEU A 22 -22.610 -5.062 2.910 1.00 0.00 C ATOM 3 C LEU A 22 -21.743 -3.817 3.094 1.00 0.00 C ATOM 4 O LEU A 22 -20.691 -3.870 3.731 1.00 0.00 O ATOM 5 CB LEU A 22 -24.086 -4.720 3.127 1.00 0.00 C ATOM 6 CG LEU A 22 -25.028 -5.925 3.204 1.00 0.00 C ATOM 7 CD1 LEU A 22 -25.327 -6.278 4.653 1.00 0.00 C ATOM 8 CD2 LEU A 22 -26.317 -5.644 2.446 1.00 0.00 C ATOM 0 HA LEU A 22 -22.455 -5.421 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -24.178 -4.147 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -24.416 -4.072 2.315 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.534 -6.778 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.998 -7.136 4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.398 -6.523 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.800 -5.428 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.974 -6.511 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -26.814 -4.778 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -26.087 -5.441 1.400 1.00 0.00 H new ATOM 22 N TYR A 23 -22.194 -2.698 2.533 1.00 0.00 N ATOM 23 CA TYR A 23 -21.452 -1.428 2.638 1.00 0.00 C ATOM 24 C TYR A 23 -20.018 -1.597 2.124 1.00 0.00 C ATOM 25 O TYR A 23 -19.602 -2.713 1.814 1.00 0.00 O ATOM 26 CB TYR A 23 -21.428 -0.957 4.098 1.00 0.00 C ATOM 27 CG TYR A 23 -22.764 -1.079 4.796 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.130 -2.255 5.437 1.00 0.00 C ATOM 29 CD2 TYR A 23 -23.658 -0.016 4.812 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.351 -2.369 6.075 1.00 0.00 C ATOM 31 CE2 TYR A 23 -24.880 -0.122 5.448 1.00 0.00 C ATOM 32 CZ TYR A 23 -25.222 -1.300 6.078 1.00 0.00 C ATOM 33 OH TYR A 23 -26.438 -1.409 6.712 1.00 0.00 O ATOM 0 H TYR A 23 -23.063 -2.636 2.003 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.956 -0.681 2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.687 -1.538 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -21.105 0.083 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -22.450 -3.094 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -23.394 0.908 4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -24.621 -3.291 6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -25.564 0.714 5.452 1.00 0.00 H new ATOM 0 HH TYR A 23 -26.931 -0.567 6.622 1.00 0.00 H new ATOM 43 N PRO A 24 -19.221 -0.505 2.037 1.00 0.00 N ATOM 44 CA PRO A 24 -17.839 -0.583 1.578 1.00 0.00 C ATOM 45 C PRO A 24 -16.993 -1.452 2.473 1.00 0.00 C ATOM 46 O PRO A 24 -17.457 -1.956 3.496 1.00 0.00 O ATOM 47 CB PRO A 24 -17.348 0.866 1.689 1.00 0.00 C ATOM 48 CG PRO A 24 -18.568 1.676 1.626 1.00 0.00 C ATOM 49 CD PRO A 24 -19.564 0.884 2.390 1.00 0.00 C ATOM 0 HA PRO A 24 -17.771 -1.013 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.810 1.032 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.664 1.116 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.417 2.661 2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.889 1.835 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.483 1.060 3.463 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.585 1.134 2.102 1.00 0.00 H new ATOM 57 N ASP A 25 -15.728 -1.563 2.120 1.00 0.00 N ATOM 58 CA ASP A 25 -14.791 -2.295 2.925 1.00 0.00 C ATOM 59 C ASP A 25 -14.632 -1.551 4.231 1.00 0.00 C ATOM 60 O ASP A 25 -14.178 -2.092 5.239 1.00 0.00 O ATOM 61 CB ASP A 25 -13.463 -2.369 2.192 1.00 0.00 C ATOM 62 CG ASP A 25 -12.692 -3.638 2.496 1.00 0.00 C ATOM 63 OD1 ASP A 25 -13.329 -4.647 2.862 1.00 0.00 O ATOM 64 OD2 ASP A 25 -11.449 -3.622 2.368 1.00 0.00 O ATOM 0 H ASP A 25 -15.331 -1.151 1.276 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.139 -3.310 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.642 -2.307 1.119 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.855 -1.506 2.464 1.00 0.00 H new ATOM 69 N LEU A 26 -15.005 -0.275 4.173 1.00 0.00 N ATOM 70 CA LEU A 26 -14.917 0.620 5.297 1.00 0.00 C ATOM 71 C LEU A 26 -13.457 0.891 5.630 1.00 0.00 C ATOM 72 O LEU A 26 -13.142 1.673 6.527 1.00 0.00 O ATOM 73 CB LEU A 26 -15.680 0.061 6.500 1.00 0.00 C ATOM 74 CG LEU A 26 -16.898 0.884 6.924 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.640 0.193 8.057 1.00 0.00 C ATOM 76 CD2 LEU A 26 -16.475 2.286 7.338 1.00 0.00 C ATOM 0 H LEU A 26 -15.379 0.160 3.330 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.386 1.568 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -16.007 -0.952 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.996 -0.011 7.345 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.573 0.966 6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.503 0.793 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.975 -0.790 7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.974 0.080 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.354 2.858 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.780 2.224 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.988 2.782 6.499 1.00 0.00 H new ATOM 88 N SER A 27 -12.569 0.248 4.874 1.00 0.00 N ATOM 89 CA SER A 27 -11.144 0.420 5.050 1.00 0.00 C ATOM 90 C SER A 27 -10.423 0.537 3.708 1.00 0.00 C ATOM 91 O SER A 27 -9.194 0.601 3.672 1.00 0.00 O ATOM 92 CB SER A 27 -10.552 -0.725 5.854 1.00 0.00 C ATOM 93 OG SER A 27 -11.277 -0.940 7.053 1.00 0.00 O ATOM 0 H SER A 27 -12.823 -0.401 4.129 1.00 0.00 H new ATOM 0 HA SER A 27 -10.999 1.350 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.558 -1.635 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.511 -0.506 6.090 1.00 0.00 H new ATOM 0 HG SER A 27 -10.875 -1.683 7.550 1.00 0.00 H new ATOM 99 N GLU A 28 -11.174 0.585 2.601 1.00 0.00 N ATOM 100 CA GLU A 28 -10.564 0.717 1.283 1.00 0.00 C ATOM 101 C GLU A 28 -10.055 2.153 1.087 1.00 0.00 C ATOM 102 O GLU A 28 -10.188 2.745 0.016 1.00 0.00 O ATOM 103 CB GLU A 28 -11.569 0.363 0.180 1.00 0.00 C ATOM 104 CG GLU A 28 -11.612 -1.117 -0.172 1.00 0.00 C ATOM 105 CD GLU A 28 -12.801 -1.470 -1.045 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.334 -0.563 -1.718 1.00 0.00 O ATOM 107 OE2 GLU A 28 -13.198 -2.654 -1.056 1.00 0.00 O ATOM 0 H GLU A 28 -12.193 0.535 2.596 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.725 0.024 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.563 0.679 0.495 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.323 0.931 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.692 -1.392 -0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.651 -1.705 0.745 1.00 0.00 H new ATOM 114 N ILE A 29 -9.460 2.671 2.149 1.00 0.00 N ATOM 115 CA ILE A 29 -8.875 4.001 2.227 1.00 0.00 C ATOM 116 C ILE A 29 -8.206 4.018 3.572 1.00 0.00 C ATOM 117 O ILE A 29 -8.405 4.878 4.430 1.00 0.00 O ATOM 118 CB ILE A 29 -9.909 5.141 2.114 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.155 4.823 2.948 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.283 5.379 0.658 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.298 5.697 4.175 1.00 0.00 C ATOM 0 H ILE A 29 -9.367 2.151 3.022 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.195 4.179 1.394 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.460 6.054 2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.040 4.940 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.119 3.779 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.013 6.186 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.392 5.653 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.713 4.469 0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.201 5.417 4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.430 5.563 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.366 6.742 3.872 1.00 0.00 H new ATOM 133 N LYS A 30 -7.469 2.947 3.710 1.00 0.00 N ATOM 134 CA LYS A 30 -6.746 2.569 4.889 1.00 0.00 C ATOM 135 C LYS A 30 -5.907 1.375 4.488 1.00 0.00 C ATOM 136 O LYS A 30 -4.716 1.302 4.757 1.00 0.00 O ATOM 137 CB LYS A 30 -7.737 2.195 5.983 1.00 0.00 C ATOM 138 CG LYS A 30 -7.229 2.456 7.391 1.00 0.00 C ATOM 139 CD LYS A 30 -8.053 1.708 8.427 1.00 0.00 C ATOM 140 CE LYS A 30 -7.625 2.064 9.841 1.00 0.00 C ATOM 141 NZ LYS A 30 -8.075 1.047 10.831 1.00 0.00 N ATOM 0 H LYS A 30 -7.353 2.275 2.952 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.119 3.373 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.659 2.755 5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.986 1.138 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.185 2.151 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.264 3.525 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.109 1.945 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.946 0.634 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.539 2.153 9.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.034 3.038 10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.763 1.327 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.113 0.980 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.664 0.122 10.590 1.00 0.00 H new ATOM 155 N LYS A 31 -6.580 0.486 3.754 1.00 0.00 N ATOM 156 CA LYS A 31 -5.995 -0.694 3.173 1.00 0.00 C ATOM 157 C LYS A 31 -5.144 -0.245 2.001 1.00 0.00 C ATOM 158 O LYS A 31 -3.954 -0.534 1.923 1.00 0.00 O ATOM 159 CB LYS A 31 -7.117 -1.601 2.677 1.00 0.00 C ATOM 160 CG LYS A 31 -6.708 -3.048 2.500 1.00 0.00 C ATOM 161 CD LYS A 31 -7.119 -3.547 1.132 1.00 0.00 C ATOM 162 CE LYS A 31 -6.337 -2.847 0.031 1.00 0.00 C ATOM 163 NZ LYS A 31 -7.000 -2.985 -1.295 1.00 0.00 N ATOM 0 H LYS A 31 -7.575 0.583 3.550 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.389 -1.238 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.947 -1.553 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.484 -1.219 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.629 -3.145 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.172 -3.661 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.955 -4.623 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.186 -3.379 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.232 -1.790 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.331 -3.264 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.436 -2.494 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.078 -3.992 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.950 -2.565 -1.253 1.00 0.00 H new ATOM 177 N GLU A 32 -5.778 0.531 1.122 1.00 0.00 N ATOM 178 CA GLU A 32 -5.104 1.116 -0.034 1.00 0.00 C ATOM 179 C GLU A 32 -4.028 2.052 0.471 1.00 0.00 C ATOM 180 O GLU A 32 -3.011 2.287 -0.182 1.00 0.00 O ATOM 181 CB GLU A 32 -6.081 1.902 -0.910 1.00 0.00 C ATOM 182 CG GLU A 32 -7.517 1.479 -0.741 1.00 0.00 C ATOM 183 CD GLU A 32 -8.260 1.358 -2.058 1.00 0.00 C ATOM 184 OE1 GLU A 32 -7.788 1.935 -3.060 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.312 0.687 -2.086 1.00 0.00 O ATOM 0 H GLU A 32 -6.767 0.770 1.191 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.678 0.315 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.993 2.963 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.796 1.782 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.549 0.520 -0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.030 2.201 -0.106 1.00 0.00 H new ATOM 192 N TYR A 33 -4.265 2.543 1.678 1.00 0.00 N ATOM 193 CA TYR A 33 -3.339 3.418 2.361 1.00 0.00 C ATOM 194 C TYR A 33 -2.306 2.547 3.021 1.00 0.00 C ATOM 195 O TYR A 33 -1.169 2.946 3.270 1.00 0.00 O ATOM 196 CB TYR A 33 -4.097 4.234 3.394 1.00 0.00 C ATOM 197 CG TYR A 33 -3.270 4.615 4.591 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.353 5.647 4.517 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.407 3.934 5.787 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.589 6.000 5.613 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.650 4.276 6.891 1.00 0.00 C ATOM 202 CZ TYR A 33 -1.741 5.311 6.799 1.00 0.00 C ATOM 203 OH TYR A 33 -0.984 5.657 7.894 1.00 0.00 O ATOM 0 H TYR A 33 -5.112 2.341 2.210 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.856 4.109 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.475 5.141 2.921 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.964 3.664 3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.232 6.185 3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.116 3.123 5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.878 6.810 5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.769 3.737 7.820 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.214 5.075 8.648 1.00 0.00 H new ATOM 213 N ASN A 34 -2.744 1.335 3.278 1.00 0.00 N ATOM 214 CA ASN A 34 -1.934 0.335 3.883 1.00 0.00 C ATOM 215 C ASN A 34 -1.134 -0.396 2.835 1.00 0.00 C ATOM 216 O ASN A 34 -0.204 -1.142 3.144 1.00 0.00 O ATOM 217 CB ASN A 34 -2.822 -0.650 4.616 1.00 0.00 C ATOM 218 CG ASN A 34 -2.189 -1.185 5.885 1.00 0.00 C ATOM 219 OD1 ASN A 34 -1.818 -2.356 5.961 1.00 0.00 O ATOM 220 ND2 ASN A 34 -2.062 -0.327 6.890 1.00 0.00 N ATOM 0 H ASN A 34 -3.692 1.024 3.064 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.247 0.810 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.766 -0.165 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.056 -1.483 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.643 -0.630 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.384 0.635 6.783 1.00 0.00 H new ATOM 227 N VAL A 35 -1.527 -0.200 1.592 1.00 0.00 N ATOM 228 CA VAL A 35 -0.875 -0.862 0.494 1.00 0.00 C ATOM 229 C VAL A 35 -0.022 0.088 -0.325 1.00 0.00 C ATOM 230 O VAL A 35 0.993 -0.304 -0.880 1.00 0.00 O ATOM 231 CB VAL A 35 -1.890 -1.551 -0.430 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.180 -2.345 -1.517 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.828 -2.445 0.370 1.00 0.00 C ATOM 0 H VAL A 35 -2.296 0.414 1.323 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.224 -1.614 0.940 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.488 -0.779 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.919 -2.824 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.562 -1.674 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.550 -3.107 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.538 -2.923 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.249 -3.209 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.369 -1.843 1.100 1.00 0.00 H new ATOM 243 N LYS A 36 -0.446 1.330 -0.394 1.00 0.00 N ATOM 244 CA LYS A 36 0.261 2.346 -1.134 1.00 0.00 C ATOM 245 C LYS A 36 1.658 2.522 -0.586 1.00 0.00 C ATOM 246 O LYS A 36 2.583 2.904 -1.296 1.00 0.00 O ATOM 247 CB LYS A 36 -0.485 3.659 -1.039 1.00 0.00 C ATOM 248 CG LYS A 36 -0.756 4.067 0.393 1.00 0.00 C ATOM 249 CD LYS A 36 0.420 4.823 0.990 1.00 0.00 C ATOM 250 CE LYS A 36 -0.033 6.083 1.711 1.00 0.00 C ATOM 251 NZ LYS A 36 -0.968 6.892 0.881 1.00 0.00 N ATOM 0 H LYS A 36 -1.294 1.663 0.064 1.00 0.00 H new ATOM 0 HA LYS A 36 0.326 2.035 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.094 4.439 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.430 3.576 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.648 4.692 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.961 3.180 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.953 4.176 1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.122 5.088 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.521 5.810 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.837 6.686 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.805 7.903 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.804 6.688 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.949 6.650 1.128 1.00 0.00 H new ATOM 265 N GLU A 37 1.781 2.224 0.695 1.00 0.00 N ATOM 266 CA GLU A 37 3.050 2.322 1.403 1.00 0.00 C ATOM 267 C GLU A 37 3.889 1.082 1.134 1.00 0.00 C ATOM 268 O GLU A 37 5.114 1.099 1.239 1.00 0.00 O ATOM 269 CB GLU A 37 2.814 2.479 2.907 1.00 0.00 C ATOM 270 CG GLU A 37 2.118 1.286 3.541 1.00 0.00 C ATOM 271 CD GLU A 37 2.637 0.980 4.932 1.00 0.00 C ATOM 272 OE1 GLU A 37 3.827 1.254 5.196 1.00 0.00 O ATOM 273 OE2 GLU A 37 1.854 0.466 5.758 1.00 0.00 O ATOM 0 H GLU A 37 1.005 1.907 1.276 1.00 0.00 H new ATOM 0 HA GLU A 37 3.584 3.201 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.772 2.636 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.215 3.373 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.047 1.480 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.254 0.411 2.906 1.00 0.00 H new ATOM 280 N LYS A 38 3.199 0.012 0.767 1.00 0.00 N ATOM 281 CA LYS A 38 3.813 -1.251 0.451 1.00 0.00 C ATOM 282 C LYS A 38 3.977 -1.369 -1.029 1.00 0.00 C ATOM 283 O LYS A 38 4.924 -1.962 -1.522 1.00 0.00 O ATOM 284 CB LYS A 38 2.946 -2.379 0.964 1.00 0.00 C ATOM 285 CG LYS A 38 3.445 -3.758 0.581 1.00 0.00 C ATOM 286 CD LYS A 38 2.445 -4.835 0.967 1.00 0.00 C ATOM 287 CE LYS A 38 3.087 -5.919 1.819 1.00 0.00 C ATOM 288 NZ LYS A 38 2.203 -6.340 2.941 1.00 0.00 N ATOM 0 H LYS A 38 2.183 0.006 0.682 1.00 0.00 H new ATOM 0 HA LYS A 38 4.792 -1.309 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.886 -2.313 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.934 -2.250 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.627 -3.796 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.398 -3.951 1.073 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.618 -4.384 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.025 -5.281 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.317 -6.782 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.033 -5.554 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.677 -7.080 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.003 -5.522 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.310 -6.713 2.559 1.00 0.00 H new ATOM 302 N ASP A 39 3.062 -0.751 -1.729 1.00 0.00 N ATOM 303 CA ASP A 39 3.121 -0.737 -3.174 1.00 0.00 C ATOM 304 C ASP A 39 4.126 0.315 -3.606 1.00 0.00 C ATOM 305 O ASP A 39 4.235 0.656 -4.784 1.00 0.00 O ATOM 306 CB ASP A 39 1.752 -0.445 -3.765 1.00 0.00 C ATOM 307 CG ASP A 39 1.501 -1.203 -5.053 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.044 -0.791 -6.100 1.00 0.00 O ATOM 309 OD2 ASP A 39 0.762 -2.210 -5.015 1.00 0.00 O ATOM 0 H ASP A 39 2.268 -0.251 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 39 3.434 -1.716 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.983 -0.706 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.662 0.625 -3.954 1.00 0.00 H new ATOM 314 N GLN A 40 4.847 0.838 -2.617 1.00 0.00 N ATOM 315 CA GLN A 40 5.832 1.863 -2.843 1.00 0.00 C ATOM 316 C GLN A 40 7.150 1.571 -2.119 1.00 0.00 C ATOM 317 O GLN A 40 8.214 2.000 -2.564 1.00 0.00 O ATOM 318 CB GLN A 40 5.253 3.207 -2.410 1.00 0.00 C ATOM 319 CG GLN A 40 5.326 3.479 -0.913 1.00 0.00 C ATOM 320 CD GLN A 40 5.658 4.925 -0.600 1.00 0.00 C ATOM 321 OE1 GLN A 40 6.739 5.412 -0.931 1.00 0.00 O ATOM 322 NE2 GLN A 40 4.726 5.620 0.043 1.00 0.00 N ATOM 0 H GLN A 40 4.756 0.555 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 40 6.069 1.889 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.782 4.002 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.210 3.256 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.372 3.221 -0.453 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.080 2.832 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.844 5.176 0.298 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.893 6.598 0.281 1.00 0.00 H new ATOM 331 N VAL A 41 7.079 0.854 -0.998 1.00 0.00 N ATOM 332 CA VAL A 41 8.277 0.532 -0.229 1.00 0.00 C ATOM 333 C VAL A 41 9.096 -0.547 -0.914 1.00 0.00 C ATOM 334 O VAL A 41 10.312 -0.422 -1.035 1.00 0.00 O ATOM 335 CB VAL A 41 7.931 0.112 1.212 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.024 -0.757 1.824 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.679 1.339 2.075 1.00 0.00 C ATOM 0 H VAL A 41 6.211 0.488 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 41 8.879 1.439 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 41 7.020 -0.486 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.743 -1.033 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.150 -1.659 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.962 -0.201 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.436 1.026 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.573 1.962 2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.847 1.910 1.662 1.00 0.00 H new ATOM 347 N GLU A 42 8.427 -1.600 -1.363 1.00 0.00 N ATOM 348 CA GLU A 42 9.113 -2.701 -2.058 1.00 0.00 C ATOM 349 C GLU A 42 10.187 -2.136 -2.986 1.00 0.00 C ATOM 350 O GLU A 42 11.253 -2.727 -3.163 1.00 0.00 O ATOM 351 CB GLU A 42 8.149 -3.587 -2.878 1.00 0.00 C ATOM 352 CG GLU A 42 6.686 -3.162 -2.867 1.00 0.00 C ATOM 353 CD GLU A 42 5.901 -3.767 -4.015 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.408 -4.904 -3.863 1.00 0.00 O ATOM 355 OE2 GLU A 42 5.780 -3.103 -5.066 1.00 0.00 O ATOM 0 H GLU A 42 7.419 -1.723 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 42 9.560 -3.330 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.494 -3.607 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.214 -4.608 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.231 -3.459 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.626 -2.075 -2.922 1.00 0.00 H new ATOM 362 N ASP A 43 9.892 -0.971 -3.556 1.00 0.00 N ATOM 363 CA ASP A 43 10.815 -0.284 -4.449 1.00 0.00 C ATOM 364 C ASP A 43 12.113 0.014 -3.743 1.00 0.00 C ATOM 365 O ASP A 43 13.199 -0.201 -4.275 1.00 0.00 O ATOM 366 CB ASP A 43 10.196 1.028 -4.922 1.00 0.00 C ATOM 367 CG ASP A 43 9.728 0.970 -6.363 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.213 -0.089 -6.778 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.876 1.985 -7.076 1.00 0.00 O ATOM 0 H ASP A 43 9.010 -0.480 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 43 11.012 -0.932 -5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.351 1.278 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.927 1.829 -4.814 1.00 0.00 H new ATOM 374 N LEU A 44 11.984 0.521 -2.540 1.00 0.00 N ATOM 375 CA LEU A 44 13.131 0.874 -1.741 1.00 0.00 C ATOM 376 C LEU A 44 13.875 -0.356 -1.236 1.00 0.00 C ATOM 377 O LEU A 44 14.657 -0.289 -0.288 1.00 0.00 O ATOM 378 CB LEU A 44 12.725 1.790 -0.598 1.00 0.00 C ATOM 379 CG LEU A 44 12.566 3.244 -1.029 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.144 3.727 -0.788 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.568 4.134 -0.308 1.00 0.00 C ATOM 0 H LEU A 44 11.086 0.699 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 44 13.826 1.418 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.785 1.438 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.474 1.730 0.192 1.00 0.00 H new ATOM 0 HG LEU A 44 12.767 3.304 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.055 4.767 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.449 3.113 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.908 3.648 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.436 5.167 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.406 4.067 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.581 3.807 -0.543 1.00 0.00 H new ATOM 393 N ASN A 45 13.641 -1.465 -1.912 1.00 0.00 N ATOM 394 CA ASN A 45 14.286 -2.730 -1.608 1.00 0.00 C ATOM 395 C ASN A 45 14.611 -3.439 -2.917 1.00 0.00 C ATOM 396 O ASN A 45 15.661 -4.066 -3.061 1.00 0.00 O ATOM 397 CB ASN A 45 13.381 -3.596 -0.732 1.00 0.00 C ATOM 398 CG ASN A 45 13.920 -3.758 0.676 1.00 0.00 C ATOM 399 OD1 ASN A 45 15.132 -3.765 0.892 1.00 0.00 O ATOM 400 ND2 ASN A 45 13.020 -3.890 1.643 1.00 0.00 N ATOM 0 H ASN A 45 12.991 -1.514 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 45 15.207 -2.550 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.388 -3.150 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.269 -4.579 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.324 -4.003 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.025 -3.879 1.419 1.00 0.00 H new ATOM 407 N LEU A 46 13.708 -3.290 -3.881 1.00 0.00 N ATOM 408 CA LEU A 46 13.883 -3.861 -5.204 1.00 0.00 C ATOM 409 C LEU A 46 13.897 -2.734 -6.220 1.00 0.00 C ATOM 410 O LEU A 46 13.267 -2.803 -7.275 1.00 0.00 O ATOM 411 CB LEU A 46 12.769 -4.857 -5.521 1.00 0.00 C ATOM 412 CG LEU A 46 13.193 -6.055 -6.372 1.00 0.00 C ATOM 413 CD1 LEU A 46 14.111 -6.973 -5.580 1.00 0.00 C ATOM 414 CD2 LEU A 46 11.971 -6.814 -6.866 1.00 0.00 C ATOM 0 H LEU A 46 12.838 -2.771 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 46 14.827 -4.405 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.355 -5.226 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.967 -4.329 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 46 13.742 -5.687 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.403 -7.820 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.001 -6.423 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.588 -7.335 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.290 -7.663 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.395 -7.172 -6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.351 -6.152 -7.470 1.00 0.00 H new ATOM 426 N ASP A 47 14.634 -1.694 -5.864 1.00 0.00 N ATOM 427 CA ASP A 47 14.780 -0.510 -6.685 1.00 0.00 C ATOM 428 C ASP A 47 15.633 0.541 -5.977 1.00 0.00 C ATOM 429 O ASP A 47 16.312 1.339 -6.623 1.00 0.00 O ATOM 430 CB ASP A 47 13.416 0.083 -7.031 1.00 0.00 C ATOM 431 CG ASP A 47 12.936 -0.328 -8.409 1.00 0.00 C ATOM 432 OD1 ASP A 47 13.788 -0.662 -9.259 1.00 0.00 O ATOM 433 OD2 ASP A 47 11.708 -0.314 -8.639 1.00 0.00 O ATOM 0 H ASP A 47 15.152 -1.651 -4.986 1.00 0.00 H new ATOM 0 HA ASP A 47 15.280 -0.807 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.686 -0.234 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.473 1.170 -6.979 1.00 0.00 H new ATOM 438 N SER A 48 15.595 0.539 -4.647 1.00 0.00 N ATOM 439 CA SER A 48 16.371 1.499 -3.866 1.00 0.00 C ATOM 440 C SER A 48 17.850 1.283 -4.110 1.00 0.00 C ATOM 441 O SER A 48 18.619 2.232 -4.264 1.00 0.00 O ATOM 442 CB SER A 48 16.091 1.365 -2.369 1.00 0.00 C ATOM 443 OG SER A 48 17.220 1.743 -1.598 1.00 0.00 O ATOM 0 H SER A 48 15.040 -0.111 -4.091 1.00 0.00 H new ATOM 0 HA SER A 48 16.076 2.499 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.238 1.988 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.819 0.335 -2.138 1.00 0.00 H new ATOM 0 HG SER A 48 17.012 1.649 -0.645 1.00 0.00 H new ATOM 449 N LEU A 49 18.235 0.014 -4.160 1.00 0.00 N ATOM 450 CA LEU A 49 19.624 -0.352 -4.406 1.00 0.00 C ATOM 451 C LEU A 49 19.901 -0.353 -5.906 1.00 0.00 C ATOM 452 O LEU A 49 20.895 -0.903 -6.381 1.00 0.00 O ATOM 453 CB LEU A 49 19.919 -1.721 -3.784 1.00 0.00 C ATOM 454 CG LEU A 49 19.784 -2.921 -4.728 1.00 0.00 C ATOM 455 CD1 LEU A 49 21.155 -3.433 -5.146 1.00 0.00 C ATOM 456 CD2 LEU A 49 18.975 -4.030 -4.071 1.00 0.00 C ATOM 0 H LEU A 49 17.605 -0.779 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 49 20.284 0.380 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.933 -1.708 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.246 -1.869 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 49 19.255 -2.594 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 49 21.037 -4.285 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 49 21.698 -2.640 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 49 21.713 -3.741 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 49 18.890 -4.873 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.475 -4.353 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.980 -3.659 -3.827 1.00 0.00 H new ATOM 468 N TRP A 50 18.987 0.269 -6.629 1.00 0.00 N ATOM 469 CA TRP A 50 19.046 0.378 -8.073 1.00 0.00 C ATOM 470 C TRP A 50 19.127 1.845 -8.480 1.00 0.00 C ATOM 471 O TRP A 50 19.403 2.177 -9.632 1.00 0.00 O ATOM 472 CB TRP A 50 17.785 -0.245 -8.671 1.00 0.00 C ATOM 473 CG TRP A 50 17.437 -1.580 -8.086 1.00 0.00 C ATOM 474 CD1 TRP A 50 17.313 -1.887 -6.763 1.00 0.00 C ATOM 475 CD2 TRP A 50 17.147 -2.780 -8.804 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.986 -3.214 -6.614 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.877 -3.784 -7.855 1.00 0.00 C ATOM 478 CE3 TRP A 50 17.096 -3.102 -10.157 1.00 0.00 C ATOM 479 CZ2 TRP A 50 16.562 -5.089 -8.222 1.00 0.00 C ATOM 480 CZ3 TRP A 50 16.782 -4.397 -10.524 1.00 0.00 C ATOM 481 CH2 TRP A 50 16.519 -5.378 -9.559 1.00 0.00 C ATOM 0 H TRP A 50 18.169 0.720 -6.220 1.00 0.00 H new ATOM 0 HA TRP A 50 19.930 -0.143 -8.441 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.948 0.437 -8.522 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.919 -0.354 -9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.452 -1.189 -5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.847 -3.695 -5.725 1.00 0.00 H new ATOM 0 HE3 TRP A 50 17.298 -2.352 -10.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 16.359 -5.846 -7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 16.739 -4.657 -11.571 1.00 0.00 H new ATOM 0 HH2 TRP A 50 16.278 -6.382 -9.876 1.00 0.00 H new ATOM 492 N GLU A 51 18.860 2.709 -7.510 1.00 0.00 N ATOM 493 CA GLU A 51 18.867 4.145 -7.710 1.00 0.00 C ATOM 494 C GLU A 51 20.293 4.687 -7.784 1.00 0.00 C ATOM 495 O GLU A 51 21.202 4.039 -7.222 1.00 0.00 O ATOM 496 CB GLU A 51 18.093 4.793 -6.560 1.00 0.00 C ATOM 497 CG GLU A 51 18.900 4.937 -5.280 1.00 0.00 C ATOM 498 CD GLU A 51 19.486 6.325 -5.112 1.00 0.00 C ATOM 499 OE1 GLU A 51 18.727 7.309 -5.237 1.00 0.00 O ATOM 500 OE2 GLU A 51 20.703 6.429 -4.855 1.00 0.00 O ATOM 501 OXT GLU A 51 20.488 5.754 -8.403 1.00 0.00 O ATOM 0 H GLU A 51 18.631 2.427 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 51 18.389 4.385 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.751 5.779 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.204 4.198 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.262 4.710 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.707 4.204 -5.279 1.00 0.00 H new TER 508 GLU A 51