USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 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+ -171:sc=-0.000956 (180deg=-0.159) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.0561 (180deg=-0.295) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0833) USER MOD Single : A 40 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.21) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -25.152 -4.964 1.487 1.00 0.00 N ATOM 2 CA LEU A 22 -23.874 -5.181 2.215 1.00 0.00 C ATOM 3 C LEU A 22 -23.167 -3.855 2.492 1.00 0.00 C ATOM 4 O LEU A 22 -23.711 -2.786 2.214 1.00 0.00 O ATOM 5 CB LEU A 22 -22.981 -6.089 1.370 1.00 0.00 C ATOM 6 CG LEU A 22 -22.834 -5.650 -0.085 1.00 0.00 C ATOM 7 CD1 LEU A 22 -21.366 -5.498 -0.457 1.00 0.00 C ATOM 8 CD2 LEU A 22 -23.525 -6.635 -1.017 1.00 0.00 C ATOM 0 HA LEU A 22 -24.083 -5.650 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -21.992 -6.132 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -23.387 -7.101 1.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.316 -4.679 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.285 -5.185 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -20.904 -4.748 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -20.856 -6.452 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.408 -6.303 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.077 -7.622 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.586 -6.686 -0.770 1.00 0.00 H new ATOM 22 N TYR A 23 -21.953 -3.927 3.035 1.00 0.00 N ATOM 23 CA TYR A 23 -21.183 -2.717 3.337 1.00 0.00 C ATOM 24 C TYR A 23 -19.795 -2.773 2.705 1.00 0.00 C ATOM 25 O TYR A 23 -19.343 -3.830 2.266 1.00 0.00 O ATOM 26 CB TYR A 23 -21.042 -2.514 4.850 1.00 0.00 C ATOM 27 CG TYR A 23 -22.286 -2.869 5.632 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.414 -2.059 5.584 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.333 -4.013 6.419 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.553 -2.379 6.297 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.469 -4.340 7.135 1.00 0.00 C ATOM 32 CZ TYR A 23 -24.576 -3.520 7.071 1.00 0.00 C ATOM 33 OH TYR A 23 -25.709 -3.842 7.783 1.00 0.00 O ATOM 0 H TYR A 23 -21.483 -4.800 3.274 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.732 -1.876 2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.211 -3.119 5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.786 -1.473 5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -23.400 -1.164 4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -21.468 -4.657 6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -25.421 -1.739 6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -23.490 -5.233 7.742 1.00 0.00 H new ATOM 0 HH TYR A 23 -25.560 -4.676 8.275 1.00 0.00 H new ATOM 43 N PRO A 24 -19.096 -1.625 2.663 1.00 0.00 N ATOM 44 CA PRO A 24 -17.756 -1.522 2.103 1.00 0.00 C ATOM 45 C PRO A 24 -16.753 -2.345 2.872 1.00 0.00 C ATOM 46 O PRO A 24 -17.073 -2.944 3.898 1.00 0.00 O ATOM 47 CB PRO A 24 -17.423 -0.034 2.279 1.00 0.00 C ATOM 48 CG PRO A 24 -18.730 0.628 2.377 1.00 0.00 C ATOM 49 CD PRO A 24 -19.545 -0.325 3.168 1.00 0.00 C ATOM 0 HA PRO A 24 -17.717 -1.882 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.825 0.135 3.174 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.848 0.346 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.653 1.596 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.164 0.806 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.365 -0.222 4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.613 -0.175 3.009 1.00 0.00 H new ATOM 57 N ASP A 25 -15.517 -2.310 2.408 1.00 0.00 N ATOM 58 CA ASP A 25 -14.447 -2.986 3.088 1.00 0.00 C ATOM 59 C ASP A 25 -14.269 -2.325 4.437 1.00 0.00 C ATOM 60 O ASP A 25 -13.681 -2.884 5.363 1.00 0.00 O ATOM 61 CB ASP A 25 -13.180 -2.856 2.263 1.00 0.00 C ATOM 62 CG ASP A 25 -12.251 -4.044 2.418 1.00 0.00 C ATOM 63 OD1 ASP A 25 -11.981 -4.440 3.572 1.00 0.00 O ATOM 64 OD2 ASP A 25 -11.792 -4.577 1.386 1.00 0.00 O ATOM 0 H ASP A 25 -15.237 -1.817 1.560 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.669 -4.045 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.447 -2.744 1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.653 -1.948 2.556 1.00 0.00 H new ATOM 69 N LEU A 26 -14.782 -1.100 4.510 1.00 0.00 N ATOM 70 CA LEU A 26 -14.702 -0.288 5.695 1.00 0.00 C ATOM 71 C LEU A 26 -13.261 0.134 5.937 1.00 0.00 C ATOM 72 O LEU A 26 -12.963 0.880 6.870 1.00 0.00 O ATOM 73 CB LEU A 26 -15.282 -1.027 6.904 1.00 0.00 C ATOM 74 CG LEU A 26 -16.547 -0.403 7.494 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.125 -1.295 8.582 1.00 0.00 C ATOM 76 CD2 LEU A 26 -16.250 0.985 8.042 1.00 0.00 C ATOM 0 H LEU A 26 -15.267 -0.649 3.734 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.301 0.611 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.503 -2.054 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.520 -1.074 7.682 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.287 -0.308 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.025 -0.835 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.375 -2.268 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.390 -1.422 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.161 1.415 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.493 0.914 8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.883 1.623 7.238 1.00 0.00 H new ATOM 88 N SER A 27 -12.372 -0.341 5.068 1.00 0.00 N ATOM 89 CA SER A 27 -10.968 -0.012 5.155 1.00 0.00 C ATOM 90 C SER A 27 -10.363 0.255 3.777 1.00 0.00 C ATOM 91 O SER A 27 -9.152 0.441 3.662 1.00 0.00 O ATOM 92 CB SER A 27 -10.195 -1.122 5.846 1.00 0.00 C ATOM 93 OG SER A 27 -10.813 -1.496 7.066 1.00 0.00 O ATOM 0 H SER A 27 -12.611 -0.959 4.293 1.00 0.00 H new ATOM 0 HA SER A 27 -10.890 0.901 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.131 -1.988 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.174 -0.792 6.039 1.00 0.00 H new ATOM 0 HG SER A 27 -10.295 -2.213 7.489 1.00 0.00 H new ATOM 99 N GLU A 28 -11.193 0.292 2.728 1.00 0.00 N ATOM 100 CA GLU A 28 -10.693 0.561 1.385 1.00 0.00 C ATOM 101 C GLU A 28 -10.344 2.051 1.250 1.00 0.00 C ATOM 102 O GLU A 28 -10.642 2.698 0.247 1.00 0.00 O ATOM 103 CB GLU A 28 -11.731 0.167 0.328 1.00 0.00 C ATOM 104 CG GLU A 28 -11.641 -1.285 -0.120 1.00 0.00 C ATOM 105 CD GLU A 28 -12.837 -1.711 -0.949 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.490 -0.830 -1.547 1.00 0.00 O ATOM 107 OE2 GLU A 28 -13.122 -2.926 -0.999 1.00 0.00 O ATOM 0 H GLU A 28 -12.200 0.141 2.786 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.796 -0.037 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.728 0.352 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.611 0.813 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.730 -1.427 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.563 -1.928 0.756 1.00 0.00 H new ATOM 114 N ILE A 29 -9.700 2.554 2.290 1.00 0.00 N ATOM 115 CA ILE A 29 -9.243 3.929 2.417 1.00 0.00 C ATOM 116 C ILE A 29 -8.509 3.937 3.729 1.00 0.00 C ATOM 117 O ILE A 29 -8.761 4.709 4.654 1.00 0.00 O ATOM 118 CB ILE A 29 -10.392 4.958 2.416 1.00 0.00 C ATOM 119 CG1 ILE A 29 -9.845 6.370 2.634 1.00 0.00 C ATOM 120 CG2 ILE A 29 -11.417 4.609 3.486 1.00 0.00 C ATOM 121 CD1 ILE A 29 -10.780 7.460 2.156 1.00 0.00 C ATOM 0 H ILE A 29 -9.471 1.989 3.107 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.626 4.224 1.568 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.885 4.927 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.645 6.514 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.892 6.466 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.222 5.344 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.827 3.619 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.937 4.614 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.328 8.434 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.961 7.342 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.725 7.390 2.694 1.00 0.00 H new ATOM 133 N LYS A 30 -7.649 2.951 3.759 1.00 0.00 N ATOM 134 CA LYS A 30 -6.829 2.583 4.877 1.00 0.00 C ATOM 135 C LYS A 30 -5.923 1.478 4.373 1.00 0.00 C ATOM 136 O LYS A 30 -4.718 1.481 4.587 1.00 0.00 O ATOM 137 CB LYS A 30 -7.718 2.079 6.007 1.00 0.00 C ATOM 138 CG LYS A 30 -7.161 2.344 7.397 1.00 0.00 C ATOM 139 CD LYS A 30 -7.668 3.663 7.958 1.00 0.00 C ATOM 140 CE LYS A 30 -6.964 4.022 9.257 1.00 0.00 C ATOM 141 NZ LYS A 30 -7.081 2.937 10.271 1.00 0.00 N ATOM 0 H LYS A 30 -7.496 2.348 2.951 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.248 3.421 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.697 2.551 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.869 1.006 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.444 1.530 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.072 2.359 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.511 4.455 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.742 3.597 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.911 4.219 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.390 4.942 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.724 3.277 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.079 2.660 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.522 2.115 9.966 1.00 0.00 H new ATOM 155 N LYS A 31 -6.563 0.578 3.620 1.00 0.00 N ATOM 156 CA LYS A 31 -5.919 -0.524 2.951 1.00 0.00 C ATOM 157 C LYS A 31 -5.173 0.051 1.761 1.00 0.00 C ATOM 158 O LYS A 31 -3.971 -0.144 1.598 1.00 0.00 O ATOM 159 CB LYS A 31 -6.984 -1.506 2.452 1.00 0.00 C ATOM 160 CG LYS A 31 -6.446 -2.891 2.138 1.00 0.00 C ATOM 161 CD LYS A 31 -5.770 -2.923 0.774 1.00 0.00 C ATOM 162 CE LYS A 31 -6.707 -2.460 -0.331 1.00 0.00 C ATOM 163 NZ LYS A 31 -8.051 -3.092 -0.221 1.00 0.00 N ATOM 0 H LYS A 31 -7.570 0.609 3.464 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.241 -1.048 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.766 -1.593 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.450 -1.096 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.734 -3.190 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.261 -3.614 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.886 -2.286 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.429 -3.936 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.811 -1.376 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.271 -2.700 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.565 -2.974 -1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.942 -4.106 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.586 -2.639 0.547 1.00 0.00 H new ATOM 177 N GLU A 32 -5.918 0.821 0.967 1.00 0.00 N ATOM 178 CA GLU A 32 -5.365 1.517 -0.190 1.00 0.00 C ATOM 179 C GLU A 32 -4.333 2.501 0.303 1.00 0.00 C ATOM 180 O GLU A 32 -3.373 2.826 -0.390 1.00 0.00 O ATOM 181 CB GLU A 32 -6.453 2.266 -0.963 1.00 0.00 C ATOM 182 CG GLU A 32 -7.837 1.710 -0.744 1.00 0.00 C ATOM 183 CD GLU A 32 -8.635 1.581 -2.027 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.665 2.555 -2.808 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.230 0.506 -2.250 1.00 0.00 O ATOM 0 H GLU A 32 -6.916 0.978 1.108 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.919 0.787 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.441 3.315 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.220 2.232 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.758 0.731 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.376 2.356 -0.051 1.00 0.00 H new ATOM 192 N TYR A 33 -4.533 2.922 1.545 1.00 0.00 N ATOM 193 CA TYR A 33 -3.626 3.823 2.220 1.00 0.00 C ATOM 194 C TYR A 33 -2.500 2.992 2.762 1.00 0.00 C ATOM 195 O TYR A 33 -1.365 3.440 2.920 1.00 0.00 O ATOM 196 CB TYR A 33 -4.366 4.534 3.340 1.00 0.00 C ATOM 197 CG TYR A 33 -3.497 4.891 4.515 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.615 5.956 4.446 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.561 4.159 5.687 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.815 6.288 5.522 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.766 4.480 6.771 1.00 0.00 C ATOM 202 CZ TYR A 33 -1.894 5.547 6.684 1.00 0.00 C ATOM 203 OH TYR A 33 -1.101 5.872 7.760 1.00 0.00 O ATOM 0 H TYR A 33 -5.335 2.643 2.110 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.236 4.583 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.816 5.444 2.944 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.182 3.898 3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.552 6.536 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.243 3.324 5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.132 7.122 5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.826 3.900 7.680 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.281 5.252 8.498 1.00 0.00 H new ATOM 213 N ASN A 34 -2.852 1.752 3.010 1.00 0.00 N ATOM 214 CA ASN A 34 -1.938 0.778 3.498 1.00 0.00 C ATOM 215 C ASN A 34 -1.133 0.226 2.353 1.00 0.00 C ATOM 216 O ASN A 34 -0.153 -0.494 2.544 1.00 0.00 O ATOM 217 CB ASN A 34 -2.705 -0.341 4.167 1.00 0.00 C ATOM 218 CG ASN A 34 -1.963 -0.950 5.340 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.302 -0.707 6.498 1.00 0.00 O ATOM 220 ND2 ASN A 34 -0.942 -1.746 5.045 1.00 0.00 N ATOM 0 H ASN A 34 -3.799 1.398 2.872 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.266 1.239 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.666 0.040 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.915 -1.119 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.404 -2.184 5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.696 -1.920 4.071 1.00 0.00 H new ATOM 227 N VAL A 35 -1.572 0.562 1.157 1.00 0.00 N ATOM 228 CA VAL A 35 -0.917 0.100 -0.028 1.00 0.00 C ATOM 229 C VAL A 35 0.052 1.132 -0.552 1.00 0.00 C ATOM 230 O VAL A 35 1.032 0.801 -1.201 1.00 0.00 O ATOM 231 CB VAL A 35 -1.924 -0.261 -1.131 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.208 -0.753 -2.381 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.919 -1.300 -0.632 1.00 0.00 C ATOM 0 H VAL A 35 -2.384 1.156 0.990 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.367 -0.800 0.248 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.477 0.641 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.943 -1.002 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.547 0.029 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.621 -1.639 -2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.623 -1.542 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.385 -2.202 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.463 -0.901 0.224 1.00 0.00 H new ATOM 243 N LYS A 36 -0.230 2.380 -0.255 1.00 0.00 N ATOM 244 CA LYS A 36 0.613 3.464 -0.682 1.00 0.00 C ATOM 245 C LYS A 36 1.962 3.364 -0.002 1.00 0.00 C ATOM 246 O LYS A 36 2.992 3.765 -0.540 1.00 0.00 O ATOM 247 CB LYS A 36 0.000 4.824 -0.365 1.00 0.00 C ATOM 248 CG LYS A 36 -1.490 4.815 -0.064 1.00 0.00 C ATOM 249 CD LYS A 36 -2.309 5.097 -1.314 1.00 0.00 C ATOM 250 CE LYS A 36 -3.699 5.606 -0.966 1.00 0.00 C ATOM 251 NZ LYS A 36 -4.186 6.608 -1.954 1.00 0.00 N ATOM 0 H LYS A 36 -1.046 2.667 0.286 1.00 0.00 H new ATOM 0 HA LYS A 36 0.723 3.382 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.524 5.249 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.179 5.490 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.774 3.847 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.714 5.563 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.794 5.835 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.392 4.187 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.394 4.767 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.684 6.054 0.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.136 6.931 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.537 7.420 -1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.225 6.174 -2.898 1.00 0.00 H new ATOM 265 N GLU A 37 1.914 2.811 1.190 1.00 0.00 N ATOM 266 CA GLU A 37 3.099 2.609 2.020 1.00 0.00 C ATOM 267 C GLU A 37 3.870 1.392 1.531 1.00 0.00 C ATOM 268 O GLU A 37 5.072 1.260 1.754 1.00 0.00 O ATOM 269 CB GLU A 37 2.698 2.420 3.484 1.00 0.00 C ATOM 270 CG GLU A 37 1.772 3.507 4.006 1.00 0.00 C ATOM 271 CD GLU A 37 2.526 4.688 4.585 1.00 0.00 C ATOM 272 OE1 GLU A 37 2.857 5.615 3.817 1.00 0.00 O ATOM 273 OE2 GLU A 37 2.785 4.685 5.807 1.00 0.00 O ATOM 0 H GLU A 37 1.049 2.484 1.621 1.00 0.00 H new ATOM 0 HA GLU A 37 3.735 3.491 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.209 1.453 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.598 2.395 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.130 3.853 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.120 3.087 4.772 1.00 0.00 H new ATOM 280 N LYS A 38 3.151 0.519 0.844 1.00 0.00 N ATOM 281 CA LYS A 38 3.699 -0.687 0.283 1.00 0.00 C ATOM 282 C LYS A 38 4.014 -0.469 -1.161 1.00 0.00 C ATOM 283 O LYS A 38 4.960 -1.025 -1.694 1.00 0.00 O ATOM 284 CB LYS A 38 2.698 -1.813 0.424 1.00 0.00 C ATOM 285 CG LYS A 38 3.127 -3.101 -0.249 1.00 0.00 C ATOM 286 CD LYS A 38 2.002 -4.121 -0.256 1.00 0.00 C ATOM 287 CE LYS A 38 2.051 -4.996 -1.497 1.00 0.00 C ATOM 288 NZ LYS A 38 3.376 -5.654 -1.662 1.00 0.00 N ATOM 0 H LYS A 38 2.154 0.638 0.662 1.00 0.00 H new ATOM 0 HA LYS A 38 4.613 -0.951 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.530 -2.006 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.745 -1.494 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.438 -2.893 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.992 -3.514 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.071 -4.746 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.042 -3.606 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.273 -5.757 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.835 -4.390 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.318 -6.368 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.089 -4.940 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.648 -6.114 -0.770 1.00 0.00 H new ATOM 302 N ASP A 39 3.234 0.386 -1.771 1.00 0.00 N ATOM 303 CA ASP A 39 3.457 0.727 -3.163 1.00 0.00 C ATOM 304 C ASP A 39 4.596 1.722 -3.243 1.00 0.00 C ATOM 305 O ASP A 39 4.868 2.307 -4.291 1.00 0.00 O ATOM 306 CB ASP A 39 2.200 1.306 -3.790 1.00 0.00 C ATOM 307 CG ASP A 39 2.058 0.935 -5.254 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.192 -0.263 -5.579 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.813 1.844 -6.075 1.00 0.00 O ATOM 0 H ASP A 39 2.443 0.859 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 39 3.714 -0.175 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.327 0.950 -3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.216 2.392 -3.693 1.00 0.00 H new ATOM 314 N GLN A 40 5.246 1.916 -2.101 1.00 0.00 N ATOM 315 CA GLN A 40 6.341 2.843 -1.991 1.00 0.00 C ATOM 316 C GLN A 40 7.593 2.198 -1.385 1.00 0.00 C ATOM 317 O GLN A 40 8.709 2.654 -1.632 1.00 0.00 O ATOM 318 CB GLN A 40 5.891 4.045 -1.167 1.00 0.00 C ATOM 319 CG GLN A 40 5.831 3.791 0.331 1.00 0.00 C ATOM 320 CD GLN A 40 6.471 4.903 1.139 1.00 0.00 C ATOM 321 OE1 GLN A 40 5.890 5.398 2.105 1.00 0.00 O ATOM 322 NE2 GLN A 40 7.675 5.303 0.746 1.00 0.00 N ATOM 0 H GLN A 40 5.021 1.431 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 40 6.621 3.166 -2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.572 4.875 -1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.905 4.357 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.790 3.679 0.635 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.332 2.849 0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.120 4.865 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.155 6.048 1.251 1.00 0.00 H new ATOM 331 N VAL A 41 7.409 1.145 -0.589 1.00 0.00 N ATOM 332 CA VAL A 41 8.538 0.467 0.041 1.00 0.00 C ATOM 333 C VAL A 41 9.178 -0.542 -0.895 1.00 0.00 C ATOM 334 O VAL A 41 10.398 -0.571 -1.037 1.00 0.00 O ATOM 335 CB VAL A 41 8.135 -0.220 1.353 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.284 -1.044 1.919 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.661 0.808 2.369 1.00 0.00 C ATOM 0 H VAL A 41 6.497 0.747 -0.367 1.00 0.00 H new ATOM 0 HA VAL A 41 9.271 1.240 0.272 1.00 0.00 H new ATOM 0 HB VAL A 41 7.311 -0.900 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.968 -1.518 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.571 -1.811 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.136 -0.393 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.379 0.303 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.465 1.516 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.799 1.343 1.970 1.00 0.00 H new ATOM 347 N GLU A 42 8.355 -1.366 -1.534 1.00 0.00 N ATOM 348 CA GLU A 42 8.869 -2.373 -2.476 1.00 0.00 C ATOM 349 C GLU A 42 9.997 -1.768 -3.308 1.00 0.00 C ATOM 350 O GLU A 42 10.966 -2.442 -3.657 1.00 0.00 O ATOM 351 CB GLU A 42 7.780 -2.927 -3.420 1.00 0.00 C ATOM 352 CG GLU A 42 6.389 -2.332 -3.251 1.00 0.00 C ATOM 353 CD GLU A 42 5.500 -2.593 -4.450 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.429 -3.759 -4.894 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.874 -1.633 -4.946 1.00 0.00 O ATOM 0 H GLU A 42 7.341 -1.364 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 42 9.234 -3.208 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.101 -2.764 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.713 -4.005 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.923 -2.751 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.473 -1.257 -3.092 1.00 0.00 H new ATOM 362 N ASP A 43 9.861 -0.476 -3.596 1.00 0.00 N ATOM 363 CA ASP A 43 10.857 0.262 -4.357 1.00 0.00 C ATOM 364 C ASP A 43 12.200 0.193 -3.672 1.00 0.00 C ATOM 365 O ASP A 43 13.225 -0.088 -4.287 1.00 0.00 O ATOM 366 CB ASP A 43 10.435 1.723 -4.481 1.00 0.00 C ATOM 367 CG ASP A 43 9.919 2.069 -5.864 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.198 1.237 -6.454 1.00 0.00 O ATOM 369 OD2 ASP A 43 10.236 3.172 -6.357 1.00 0.00 O ATOM 0 H ASP A 43 9.059 0.084 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 43 10.936 -0.185 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.660 1.937 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.285 2.363 -4.244 1.00 0.00 H new ATOM 374 N LEU A 44 12.182 0.467 -2.391 1.00 0.00 N ATOM 375 CA LEU A 44 13.387 0.458 -1.606 1.00 0.00 C ATOM 376 C LEU A 44 13.937 -0.947 -1.401 1.00 0.00 C ATOM 377 O LEU A 44 14.767 -1.190 -0.525 1.00 0.00 O ATOM 378 CB LEU A 44 13.172 1.186 -0.291 1.00 0.00 C ATOM 379 CG LEU A 44 13.334 2.694 -0.429 1.00 0.00 C ATOM 380 CD1 LEU A 44 12.054 3.414 -0.028 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.514 3.190 0.394 1.00 0.00 C ATOM 0 H LEU A 44 11.338 0.701 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 44 14.150 0.997 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.173 0.964 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.881 0.813 0.448 1.00 0.00 H new ATOM 0 HG LEU A 44 13.535 2.918 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.193 4.490 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.237 3.088 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.815 3.180 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.609 4.270 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.351 2.950 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.428 2.706 0.048 1.00 0.00 H new ATOM 393 N ASN A 45 13.496 -1.847 -2.257 1.00 0.00 N ATOM 394 CA ASN A 45 13.949 -3.225 -2.253 1.00 0.00 C ATOM 395 C ASN A 45 14.198 -3.662 -3.693 1.00 0.00 C ATOM 396 O ASN A 45 15.114 -4.433 -3.979 1.00 0.00 O ATOM 397 CB ASN A 45 12.920 -4.134 -1.579 1.00 0.00 C ATOM 398 CG ASN A 45 13.491 -4.867 -0.381 1.00 0.00 C ATOM 399 OD1 ASN A 45 13.547 -4.326 0.723 1.00 0.00 O ATOM 400 ND2 ASN A 45 13.921 -6.106 -0.595 1.00 0.00 N ATOM 0 H ASN A 45 12.808 -1.642 -2.981 1.00 0.00 H new ATOM 0 HA ASN A 45 14.875 -3.303 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.065 -3.537 -1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.551 -4.860 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.317 -6.648 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.855 -6.515 -1.527 1.00 0.00 H new ATOM 407 N LEU A 46 13.385 -3.121 -4.596 1.00 0.00 N ATOM 408 CA LEU A 46 13.501 -3.388 -6.019 1.00 0.00 C ATOM 409 C LEU A 46 13.589 -2.058 -6.752 1.00 0.00 C ATOM 410 O LEU A 46 12.925 -1.830 -7.763 1.00 0.00 O ATOM 411 CB LEU A 46 12.303 -4.198 -6.512 1.00 0.00 C ATOM 412 CG LEU A 46 12.650 -5.512 -7.214 1.00 0.00 C ATOM 413 CD1 LEU A 46 11.480 -6.480 -7.142 1.00 0.00 C ATOM 414 CD2 LEU A 46 13.044 -5.255 -8.661 1.00 0.00 C ATOM 0 H LEU A 46 12.626 -2.483 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 46 14.398 -3.976 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.659 -4.418 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.724 -3.580 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 46 13.500 -5.963 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.745 -7.409 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.244 -6.688 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.611 -6.038 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.288 -6.201 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.214 -4.782 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.913 -4.598 -8.690 1.00 0.00 H new ATOM 426 N ASP A 47 14.421 -1.188 -6.202 1.00 0.00 N ATOM 427 CA ASP A 47 14.644 0.145 -6.734 1.00 0.00 C ATOM 428 C ASP A 47 15.622 0.935 -5.865 1.00 0.00 C ATOM 429 O ASP A 47 16.282 1.855 -6.338 1.00 0.00 O ATOM 430 CB ASP A 47 13.333 0.917 -6.832 1.00 0.00 C ATOM 431 CG ASP A 47 12.698 0.830 -8.207 1.00 0.00 C ATOM 432 OD1 ASP A 47 13.316 0.228 -9.110 1.00 0.00 O ATOM 433 OD2 ASP A 47 11.583 1.366 -8.380 1.00 0.00 O ATOM 0 H ASP A 47 14.966 -1.391 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 47 15.071 0.024 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.634 0.532 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.514 1.963 -6.587 1.00 0.00 H new ATOM 438 N SER A 48 15.711 0.590 -4.590 1.00 0.00 N ATOM 439 CA SER A 48 16.627 1.290 -3.700 1.00 0.00 C ATOM 440 C SER A 48 18.019 0.693 -3.815 1.00 0.00 C ATOM 441 O SER A 48 19.017 1.368 -3.575 1.00 0.00 O ATOM 442 CB SER A 48 16.182 1.215 -2.242 1.00 0.00 C ATOM 443 OG SER A 48 17.253 1.523 -1.366 1.00 0.00 O ATOM 0 H SER A 48 15.171 -0.157 -4.153 1.00 0.00 H new ATOM 0 HA SER A 48 16.632 2.337 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.359 1.909 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.806 0.216 -2.024 1.00 0.00 H new ATOM 0 HG SER A 48 17.056 1.172 -0.473 1.00 0.00 H new ATOM 449 N LEU A 49 18.080 -0.587 -4.174 1.00 0.00 N ATOM 450 CA LEU A 49 19.361 -1.268 -4.314 1.00 0.00 C ATOM 451 C LEU A 49 19.713 -1.471 -5.780 1.00 0.00 C ATOM 452 O LEU A 49 20.612 -2.238 -6.125 1.00 0.00 O ATOM 453 CB LEU A 49 19.345 -2.605 -3.571 1.00 0.00 C ATOM 454 CG LEU A 49 18.598 -3.735 -4.284 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.575 -4.652 -5.006 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.753 -4.524 -3.295 1.00 0.00 C ATOM 0 H LEU A 49 17.265 -1.168 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 49 20.130 -0.637 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.374 -2.921 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.893 -2.453 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 49 17.934 -3.292 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.024 -5.449 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.135 -4.078 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.267 -5.087 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.229 -5.323 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.397 -4.955 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.026 -3.860 -2.827 1.00 0.00 H new ATOM 468 N TRP A 50 19.008 -0.747 -6.625 1.00 0.00 N ATOM 469 CA TRP A 50 19.222 -0.783 -8.063 1.00 0.00 C ATOM 470 C TRP A 50 19.684 0.598 -8.531 1.00 0.00 C ATOM 471 O TRP A 50 20.007 0.816 -9.699 1.00 0.00 O ATOM 472 CB TRP A 50 17.914 -1.196 -8.758 1.00 0.00 C ATOM 473 CG TRP A 50 17.062 -0.039 -9.154 1.00 0.00 C ATOM 474 CD1 TRP A 50 17.031 1.146 -8.524 1.00 0.00 C ATOM 475 CD2 TRP A 50 16.126 0.043 -10.231 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.144 1.995 -9.139 1.00 0.00 N ATOM 477 CE2 TRP A 50 15.572 1.336 -10.197 1.00 0.00 C ATOM 478 CE3 TRP A 50 15.708 -0.844 -11.222 1.00 0.00 C ATOM 479 CZ2 TRP A 50 14.619 1.763 -11.118 1.00 0.00 C ATOM 480 CZ3 TRP A 50 14.760 -0.421 -12.137 1.00 0.00 C ATOM 481 CH2 TRP A 50 14.226 0.873 -12.080 1.00 0.00 C ATOM 0 H TRP A 50 18.265 -0.112 -6.334 1.00 0.00 H new ATOM 0 HA TRP A 50 19.991 -1.512 -8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 50 18.152 -1.782 -9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.346 -1.844 -8.091 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.621 1.397 -7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.944 2.954 -8.856 1.00 0.00 H new ATOM 0 HE3 TRP A 50 16.116 -1.842 -11.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.205 2.760 -11.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 14.426 -1.100 -12.908 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.489 1.174 -12.810 1.00 0.00 H new ATOM 492 N GLU A 51 19.656 1.525 -7.580 1.00 0.00 N ATOM 493 CA GLU A 51 20.002 2.913 -7.790 1.00 0.00 C ATOM 494 C GLU A 51 21.512 3.129 -7.732 1.00 0.00 C ATOM 495 O GLU A 51 21.991 4.117 -8.328 1.00 0.00 O ATOM 496 CB GLU A 51 19.292 3.717 -6.699 1.00 0.00 C ATOM 497 CG GLU A 51 19.815 3.411 -5.311 1.00 0.00 C ATOM 498 CD GLU A 51 18.951 4.005 -4.216 1.00 0.00 C ATOM 499 OE1 GLU A 51 17.749 4.234 -4.466 1.00 0.00 O ATOM 500 OE2 GLU A 51 19.477 4.242 -3.108 1.00 0.00 O ATOM 501 OXT GLU A 51 22.202 2.309 -7.091 1.00 0.00 O ATOM 0 H GLU A 51 19.384 1.319 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 51 19.686 3.237 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.413 4.781 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.223 3.505 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.871 2.331 -5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.830 3.797 -5.217 1.00 0.00 H new TER 508 GLU A 51