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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= -0.0257 (180deg=-0.307) 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+ 159:sc= 0.293 (180deg=0.128) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.114 (180deg=-0.476) USER MOD Single : A 40 GLN : amide:sc= -0.284 K(o=-0.28,f=-2.6!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -20.762 -7.321 2.641 1.00 0.00 N ATOM 2 CA LEU A 22 -21.775 -6.233 2.651 1.00 0.00 C ATOM 3 C LEU A 22 -21.110 -4.864 2.794 1.00 0.00 C ATOM 4 O LEU A 22 -20.044 -4.742 3.398 1.00 0.00 O ATOM 5 CB LEU A 22 -22.737 -6.478 3.815 1.00 0.00 C ATOM 6 CG LEU A 22 -24.205 -6.161 3.521 1.00 0.00 C ATOM 7 CD1 LEU A 22 -24.721 -7.031 2.385 1.00 0.00 C ATOM 8 CD2 LEU A 22 -25.052 -6.353 4.770 1.00 0.00 C ATOM 0 HA LEU A 22 -22.318 -6.237 1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -22.660 -7.523 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.415 -5.877 4.665 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.278 -5.118 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.766 -6.792 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.132 -6.844 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.635 -8.081 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.093 -6.123 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.974 -7.387 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.697 -5.687 5.556 1.00 0.00 H new ATOM 22 N TYR A 23 -21.748 -3.837 2.238 1.00 0.00 N ATOM 23 CA TYR A 23 -21.212 -2.463 2.306 1.00 0.00 C ATOM 24 C TYR A 23 -19.774 -2.414 1.779 1.00 0.00 C ATOM 25 O TYR A 23 -19.191 -3.456 1.478 1.00 0.00 O ATOM 26 CB TYR A 23 -21.256 -1.951 3.754 1.00 0.00 C ATOM 27 CG TYR A 23 -22.537 -2.296 4.477 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.652 -1.477 4.371 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.631 -3.437 5.264 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.828 -1.784 5.030 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.803 -3.751 5.926 1.00 0.00 C ATOM 32 CZ TYR A 23 -24.898 -2.922 5.805 1.00 0.00 C ATOM 33 OH TYR A 23 -26.067 -3.231 6.463 1.00 0.00 O ATOM 0 H TYR A 23 -22.632 -3.920 1.736 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.832 -1.822 1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.413 -2.369 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -21.130 -0.868 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -23.600 -0.585 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -21.775 -4.089 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -25.687 -1.136 4.938 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -23.861 -4.641 6.535 1.00 0.00 H new ATOM 0 HH TYR A 23 -25.950 -4.065 6.964 1.00 0.00 H new ATOM 43 N PRO A 24 -19.158 -1.213 1.672 1.00 0.00 N ATOM 44 CA PRO A 24 -17.784 -1.083 1.202 1.00 0.00 C ATOM 45 C PRO A 24 -16.819 -1.851 2.068 1.00 0.00 C ATOM 46 O PRO A 24 -17.203 -2.455 3.069 1.00 0.00 O ATOM 47 CB PRO A 24 -17.501 0.416 1.351 1.00 0.00 C ATOM 48 CG PRO A 24 -18.822 1.047 1.280 1.00 0.00 C ATOM 49 CD PRO A 24 -19.709 0.110 2.015 1.00 0.00 C ATOM 0 HA PRO A 24 -17.664 -1.469 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.007 0.635 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.845 0.777 0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.817 2.035 1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.147 1.177 0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.684 0.291 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.748 0.208 1.700 1.00 0.00 H new ATOM 57 N ASP A 25 -15.554 -1.761 1.717 1.00 0.00 N ATOM 58 CA ASP A 25 -14.519 -2.377 2.498 1.00 0.00 C ATOM 59 C ASP A 25 -14.471 -1.666 3.830 1.00 0.00 C ATOM 60 O ASP A 25 -13.955 -2.176 4.824 1.00 0.00 O ATOM 61 CB ASP A 25 -13.196 -2.224 1.771 1.00 0.00 C ATOM 62 CG ASP A 25 -12.251 -3.384 2.014 1.00 0.00 C ATOM 63 OD1 ASP A 25 -12.053 -3.753 3.191 1.00 0.00 O ATOM 64 OD2 ASP A 25 -11.708 -3.924 1.027 1.00 0.00 O ATOM 0 H ASP A 25 -15.223 -1.263 0.891 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.713 -3.439 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.384 -2.133 0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.717 -1.299 2.090 1.00 0.00 H new ATOM 69 N LEU A 26 -15.010 -0.449 3.809 1.00 0.00 N ATOM 70 CA LEU A 26 -15.045 0.408 4.963 1.00 0.00 C ATOM 71 C LEU A 26 -13.626 0.805 5.354 1.00 0.00 C ATOM 72 O LEU A 26 -13.411 1.533 6.323 1.00 0.00 O ATOM 73 CB LEU A 26 -15.777 -0.269 6.124 1.00 0.00 C ATOM 74 CG LEU A 26 -17.088 0.403 6.537 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.726 -0.342 7.699 1.00 0.00 C ATOM 76 CD2 LEU A 26 -16.848 1.859 6.903 1.00 0.00 C ATOM 0 H LEU A 26 -15.435 -0.038 2.978 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.600 1.313 4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.986 -1.303 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.112 -0.297 6.987 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.774 0.370 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.657 0.150 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.934 -1.370 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.045 -0.341 8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.791 2.321 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.145 1.914 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.435 2.387 6.043 1.00 0.00 H new ATOM 88 N SER A 27 -12.661 0.321 4.572 1.00 0.00 N ATOM 89 CA SER A 27 -11.264 0.616 4.801 1.00 0.00 C ATOM 90 C SER A 27 -10.511 0.819 3.487 1.00 0.00 C ATOM 91 O SER A 27 -9.286 0.930 3.492 1.00 0.00 O ATOM 92 CB SER A 27 -10.605 -0.496 5.603 1.00 0.00 C ATOM 93 OG SER A 27 -11.304 -0.741 6.811 1.00 0.00 O ATOM 0 H SER A 27 -12.834 -0.283 3.768 1.00 0.00 H new ATOM 0 HA SER A 27 -11.218 1.545 5.370 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.573 -1.408 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.573 -0.225 5.826 1.00 0.00 H new ATOM 0 HG SER A 27 -10.860 -1.461 7.306 1.00 0.00 H new ATOM 99 N GLU A 28 -11.230 0.885 2.359 1.00 0.00 N ATOM 100 CA GLU A 28 -10.584 1.095 1.068 1.00 0.00 C ATOM 101 C GLU A 28 -10.109 2.552 0.950 1.00 0.00 C ATOM 102 O GLU A 28 -10.248 3.194 -0.091 1.00 0.00 O ATOM 103 CB GLU A 28 -11.543 0.762 -0.080 1.00 0.00 C ATOM 104 CG GLU A 28 -11.502 -0.693 -0.525 1.00 0.00 C ATOM 105 CD GLU A 28 -12.673 -1.061 -1.415 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.264 -0.146 -2.027 1.00 0.00 O ATOM 107 OE2 GLU A 28 -13.000 -2.263 -1.498 1.00 0.00 O ATOM 0 H GLU A 28 -12.245 0.797 2.319 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.723 0.430 1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.559 1.008 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.306 1.398 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.571 -0.880 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.500 -1.338 0.353 1.00 0.00 H new ATOM 114 N ILE A 29 -9.539 3.031 2.043 1.00 0.00 N ATOM 115 CA ILE A 29 -8.992 4.372 2.195 1.00 0.00 C ATOM 116 C ILE A 29 -8.401 4.358 3.576 1.00 0.00 C ATOM 117 O ILE A 29 -8.690 5.170 4.455 1.00 0.00 O ATOM 118 CB ILE A 29 -10.047 5.489 2.057 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.363 5.066 2.713 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.266 5.836 0.593 1.00 0.00 C ATOM 121 CD1 ILE A 29 -12.120 6.213 3.347 1.00 0.00 C ATOM 0 H ILE A 29 -9.440 2.470 2.889 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.270 4.595 1.409 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.678 6.378 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.997 4.593 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.155 4.314 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.013 6.626 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.328 6.179 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.614 4.952 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -13.042 5.839 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.504 6.672 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.360 6.955 2.586 1.00 0.00 H new ATOM 133 N LYS A 30 -7.628 3.312 3.717 1.00 0.00 N ATOM 134 CA LYS A 30 -6.963 2.913 4.923 1.00 0.00 C ATOM 135 C LYS A 30 -6.102 1.726 4.543 1.00 0.00 C ATOM 136 O LYS A 30 -4.928 1.641 4.884 1.00 0.00 O ATOM 137 CB LYS A 30 -8.007 2.518 5.961 1.00 0.00 C ATOM 138 CG LYS A 30 -7.584 2.786 7.397 1.00 0.00 C ATOM 139 CD LYS A 30 -8.728 3.359 8.218 1.00 0.00 C ATOM 140 CE LYS A 30 -9.426 2.281 9.030 1.00 0.00 C ATOM 141 NZ LYS A 30 -10.831 2.651 9.354 1.00 0.00 N ATOM 0 H LYS A 30 -7.437 2.678 2.941 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.357 3.711 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.930 3.061 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.230 1.457 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.236 1.860 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.744 3.481 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.346 4.130 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.448 3.840 7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.417 1.344 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.874 2.108 9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.272 1.889 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.839 3.531 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.365 2.791 8.473 1.00 0.00 H new ATOM 155 N LYS A 31 -6.729 0.859 3.744 1.00 0.00 N ATOM 156 CA LYS A 31 -6.113 -0.309 3.169 1.00 0.00 C ATOM 157 C LYS A 31 -5.203 0.171 2.052 1.00 0.00 C ATOM 158 O LYS A 31 -4.012 -0.125 2.019 1.00 0.00 O ATOM 159 CB LYS A 31 -7.203 -1.214 2.587 1.00 0.00 C ATOM 160 CG LYS A 31 -6.768 -2.654 2.382 1.00 0.00 C ATOM 161 CD LYS A 31 -5.960 -2.807 1.103 1.00 0.00 C ATOM 162 CE LYS A 31 -6.720 -2.290 -0.110 1.00 0.00 C ATOM 163 NZ LYS A 31 -8.129 -2.771 -0.129 1.00 0.00 N ATOM 0 H LYS A 31 -7.708 0.966 3.480 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.550 -0.868 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.067 -1.198 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.528 -0.804 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.171 -2.981 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.645 -3.299 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.019 -2.266 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.709 -3.857 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.709 -1.200 -0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.214 -2.613 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.470 -2.809 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.177 -3.721 0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.726 -2.119 0.420 1.00 0.00 H new ATOM 177 N GLU A 32 -5.793 0.979 1.169 1.00 0.00 N ATOM 178 CA GLU A 32 -5.065 1.597 0.063 1.00 0.00 C ATOM 179 C GLU A 32 -4.012 2.514 0.646 1.00 0.00 C ATOM 180 O GLU A 32 -2.960 2.754 0.055 1.00 0.00 O ATOM 181 CB GLU A 32 -6.000 2.409 -0.835 1.00 0.00 C ATOM 182 CG GLU A 32 -7.440 1.971 -0.758 1.00 0.00 C ATOM 183 CD GLU A 32 -8.106 1.876 -2.117 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.018 2.852 -2.891 1.00 0.00 O ATOM 185 OE2 GLU A 32 -8.715 0.825 -2.407 1.00 0.00 O ATOM 0 H GLU A 32 -6.783 1.221 1.201 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.612 0.814 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.933 3.461 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.659 2.329 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.492 1.000 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.995 2.674 -0.136 1.00 0.00 H new ATOM 192 N TYR A 33 -4.309 2.977 1.852 1.00 0.00 N ATOM 193 CA TYR A 33 -3.414 3.826 2.605 1.00 0.00 C ATOM 194 C TYR A 33 -2.421 2.926 3.287 1.00 0.00 C ATOM 195 O TYR A 33 -1.295 3.308 3.607 1.00 0.00 O ATOM 196 CB TYR A 33 -4.216 4.615 3.624 1.00 0.00 C ATOM 197 CG TYR A 33 -3.446 4.954 4.869 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.518 5.979 4.871 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.649 4.241 6.036 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.806 6.292 6.013 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.945 4.543 7.186 1.00 0.00 C ATOM 202 CZ TYR A 33 -2.024 5.571 7.170 1.00 0.00 C ATOM 203 OH TYR A 33 -1.320 5.878 8.311 1.00 0.00 O ATOM 0 H TYR A 33 -5.184 2.770 2.333 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.895 4.536 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.566 5.538 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.101 4.041 3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.347 6.543 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.369 3.436 6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.084 7.095 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.114 3.979 8.091 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.593 5.277 9.035 1.00 0.00 H new ATOM 213 N ASN A 34 -2.876 1.710 3.478 1.00 0.00 N ATOM 214 CA ASN A 34 -2.100 0.684 4.086 1.00 0.00 C ATOM 215 C ASN A 34 -1.242 -0.002 3.052 1.00 0.00 C ATOM 216 O ASN A 34 -0.331 -0.763 3.379 1.00 0.00 O ATOM 217 CB ASN A 34 -3.025 -0.329 4.728 1.00 0.00 C ATOM 218 CG ASN A 34 -2.458 -0.922 6.003 1.00 0.00 C ATOM 219 OD1 ASN A 34 -1.982 -2.057 6.015 1.00 0.00 O ATOM 220 ND2 ASN A 34 -2.506 -0.154 7.085 1.00 0.00 N ATOM 0 H ASN A 34 -3.813 1.413 3.207 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.454 1.127 4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.980 0.148 4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.225 -1.131 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.139 -0.499 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.910 0.781 7.029 1.00 0.00 H new ATOM 227 N VAL A 35 -1.556 0.261 1.800 1.00 0.00 N ATOM 228 CA VAL A 35 -0.837 -0.341 0.712 1.00 0.00 C ATOM 229 C VAL A 35 0.146 0.628 0.092 1.00 0.00 C ATOM 230 O VAL A 35 1.216 0.237 -0.347 1.00 0.00 O ATOM 231 CB VAL A 35 -1.785 -0.866 -0.378 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.006 -1.553 -1.493 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.822 -1.806 0.218 1.00 0.00 C ATOM 0 H VAL A 35 -2.307 0.890 1.517 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.289 -1.182 1.136 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.308 -0.013 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.700 -1.915 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.314 -0.842 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.447 -2.393 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.483 -2.166 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.320 -2.653 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.408 -1.273 0.967 1.00 0.00 H new ATOM 243 N LYS A 36 -0.226 1.889 0.068 1.00 0.00 N ATOM 244 CA LYS A 36 0.612 2.924 -0.484 1.00 0.00 C ATOM 245 C LYS A 36 1.936 2.966 0.248 1.00 0.00 C ATOM 246 O LYS A 36 2.965 3.349 -0.302 1.00 0.00 O ATOM 247 CB LYS A 36 -0.080 4.267 -0.368 1.00 0.00 C ATOM 248 CG LYS A 36 -0.599 4.542 1.028 1.00 0.00 C ATOM 249 CD LYS A 36 0.457 5.197 1.902 1.00 0.00 C ATOM 250 CE LYS A 36 0.171 6.675 2.111 1.00 0.00 C ATOM 251 NZ LYS A 36 0.537 7.123 3.483 1.00 0.00 N ATOM 0 H LYS A 36 -1.119 2.223 0.431 1.00 0.00 H new ATOM 0 HA LYS A 36 0.794 2.705 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.617 5.055 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.910 4.305 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.475 5.188 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.922 3.607 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.495 4.693 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.437 5.077 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.727 7.259 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.887 6.868 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.670 8.154 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.223 6.869 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.421 6.659 3.776 1.00 0.00 H new ATOM 265 N GLU A 37 1.875 2.547 1.498 1.00 0.00 N ATOM 266 CA GLU A 37 3.043 2.495 2.365 1.00 0.00 C ATOM 267 C GLU A 37 3.878 1.269 2.024 1.00 0.00 C ATOM 268 O GLU A 37 5.083 1.221 2.264 1.00 0.00 O ATOM 269 CB GLU A 37 2.619 2.441 3.835 1.00 0.00 C ATOM 270 CG GLU A 37 2.157 3.779 4.388 1.00 0.00 C ATOM 271 CD GLU A 37 2.830 4.132 5.701 1.00 0.00 C ATOM 272 OE1 GLU A 37 2.311 3.725 6.762 1.00 0.00 O ATOM 273 OE2 GLU A 37 3.875 4.815 5.668 1.00 0.00 O ATOM 0 H GLU A 37 1.014 2.232 1.944 1.00 0.00 H new ATOM 0 HA GLU A 37 3.637 3.395 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.813 1.715 3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.457 2.081 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.363 4.561 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.077 3.755 4.533 1.00 0.00 H new ATOM 280 N LYS A 38 3.202 0.285 1.447 1.00 0.00 N ATOM 281 CA LYS A 38 3.804 -0.956 1.035 1.00 0.00 C ATOM 282 C LYS A 38 4.096 -0.916 -0.429 1.00 0.00 C ATOM 283 O LYS A 38 5.061 -1.495 -0.900 1.00 0.00 O ATOM 284 CB LYS A 38 2.857 -2.096 1.336 1.00 0.00 C ATOM 285 CG LYS A 38 3.340 -3.442 0.841 1.00 0.00 C ATOM 286 CD LYS A 38 2.250 -4.492 0.955 1.00 0.00 C ATOM 287 CE LYS A 38 2.715 -5.841 0.430 1.00 0.00 C ATOM 288 NZ LYS A 38 3.430 -5.715 -0.870 1.00 0.00 N ATOM 0 H LYS A 38 2.202 0.337 1.253 1.00 0.00 H new ATOM 0 HA LYS A 38 4.737 -1.104 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.701 -2.151 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.889 -1.880 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.660 -3.357 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.211 -3.754 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.947 -4.591 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.371 -4.167 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.373 -6.308 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.855 -6.499 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.491 -6.648 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.910 -5.061 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.389 -5.347 -0.705 1.00 0.00 H new ATOM 302 N ASP A 39 3.269 -0.188 -1.133 1.00 0.00 N ATOM 303 CA ASP A 39 3.450 -0.021 -2.557 1.00 0.00 C ATOM 304 C ASP A 39 4.536 1.009 -2.792 1.00 0.00 C ATOM 305 O ASP A 39 4.753 1.472 -3.911 1.00 0.00 O ATOM 306 CB ASP A 39 2.149 0.413 -3.211 1.00 0.00 C ATOM 307 CG ASP A 39 1.952 -0.203 -4.583 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.550 0.307 -5.554 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.200 -1.195 -4.686 1.00 0.00 O ATOM 0 H ASP A 39 2.462 0.301 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 39 3.746 -0.970 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.313 0.135 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.136 1.499 -3.299 1.00 0.00 H new ATOM 314 N GLN A 40 5.203 1.373 -1.701 1.00 0.00 N ATOM 315 CA GLN A 40 6.253 2.355 -1.740 1.00 0.00 C ATOM 316 C GLN A 40 7.561 1.829 -1.145 1.00 0.00 C ATOM 317 O GLN A 40 8.644 2.262 -1.539 1.00 0.00 O ATOM 318 CB GLN A 40 5.787 3.612 -1.013 1.00 0.00 C ATOM 319 CG GLN A 40 5.773 3.491 0.502 1.00 0.00 C ATOM 320 CD GLN A 40 6.431 4.672 1.190 1.00 0.00 C ATOM 321 OE1 GLN A 40 6.768 5.669 0.551 1.00 0.00 O ATOM 322 NE2 GLN A 40 6.618 4.565 2.500 1.00 0.00 N ATOM 0 H GLN A 40 5.023 0.990 -0.773 1.00 0.00 H new ATOM 0 HA GLN A 40 6.464 2.591 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.437 4.441 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.783 3.864 -1.355 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.742 3.404 0.846 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.285 2.574 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.323 3.720 2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.056 5.327 3.017 1.00 0.00 H new ATOM 331 N VAL A 41 7.464 0.899 -0.195 1.00 0.00 N ATOM 332 CA VAL A 41 8.653 0.337 0.435 1.00 0.00 C ATOM 333 C VAL A 41 9.296 -0.716 -0.446 1.00 0.00 C ATOM 334 O VAL A 41 10.505 -0.694 -0.665 1.00 0.00 O ATOM 335 CB VAL A 41 8.344 -0.255 1.816 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.596 -0.849 2.448 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.728 0.797 2.727 1.00 0.00 C ATOM 0 H VAL A 41 6.581 0.523 0.151 1.00 0.00 H new ATOM 0 HA VAL A 41 9.355 1.160 0.569 1.00 0.00 H new ATOM 0 HB VAL A 41 7.620 -1.059 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.349 -1.262 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.986 -1.640 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.350 -0.070 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.517 0.356 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.425 1.627 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.801 1.163 2.286 1.00 0.00 H new ATOM 347 N GLU A 42 8.483 -1.630 -0.962 1.00 0.00 N ATOM 348 CA GLU A 42 8.993 -2.685 -1.850 1.00 0.00 C ATOM 349 C GLU A 42 9.981 -2.077 -2.843 1.00 0.00 C ATOM 350 O GLU A 42 10.956 -2.711 -3.243 1.00 0.00 O ATOM 351 CB GLU A 42 7.872 -3.415 -2.622 1.00 0.00 C ATOM 352 CG GLU A 42 6.454 -2.915 -2.371 1.00 0.00 C ATOM 353 CD GLU A 42 5.475 -3.405 -3.420 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.310 -4.636 -3.549 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.874 -2.558 -4.113 1.00 0.00 O ATOM 0 H GLU A 42 7.479 -1.669 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 42 9.484 -3.427 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.081 -3.335 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.913 -4.474 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.124 -3.246 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.453 -1.825 -2.358 1.00 0.00 H new ATOM 362 N ASP A 43 9.719 -0.825 -3.209 1.00 0.00 N ATOM 363 CA ASP A 43 10.573 -0.085 -4.126 1.00 0.00 C ATOM 364 C ASP A 43 11.973 0.013 -3.576 1.00 0.00 C ATOM 365 O ASP A 43 12.958 -0.228 -4.271 1.00 0.00 O ATOM 366 CB ASP A 43 10.017 1.323 -4.324 1.00 0.00 C ATOM 367 CG ASP A 43 9.363 1.509 -5.679 1.00 0.00 C ATOM 368 OD1 ASP A 43 8.470 0.705 -6.022 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.744 2.457 -6.397 1.00 0.00 O ATOM 0 H ASP A 43 8.911 -0.299 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 43 10.598 -0.613 -5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.288 1.535 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.824 2.047 -4.212 1.00 0.00 H new ATOM 374 N LEU A 44 12.051 0.383 -2.322 1.00 0.00 N ATOM 375 CA LEU A 44 13.320 0.537 -1.665 1.00 0.00 C ATOM 376 C LEU A 44 14.013 -0.797 -1.422 1.00 0.00 C ATOM 377 O LEU A 44 14.936 -0.904 -0.615 1.00 0.00 O ATOM 378 CB LEU A 44 13.164 1.341 -0.386 1.00 0.00 C ATOM 379 CG LEU A 44 13.165 2.843 -0.639 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.861 3.472 -0.169 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.357 3.506 0.034 1.00 0.00 C ATOM 0 H LEU A 44 11.242 0.584 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 44 13.973 1.096 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.233 1.059 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.974 1.090 0.298 1.00 0.00 H new ATOM 0 HG LEU A 44 13.251 3.003 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.885 4.545 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.026 3.026 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.737 3.296 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.335 4.578 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.311 3.332 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.280 3.084 -0.363 1.00 0.00 H new ATOM 393 N ASN A 45 13.581 -1.792 -2.173 1.00 0.00 N ATOM 394 CA ASN A 45 14.156 -3.123 -2.120 1.00 0.00 C ATOM 395 C ASN A 45 14.322 -3.642 -3.546 1.00 0.00 C ATOM 396 O ASN A 45 15.277 -4.350 -3.862 1.00 0.00 O ATOM 397 CB ASN A 45 13.274 -4.063 -1.296 1.00 0.00 C ATOM 398 CG ASN A 45 13.997 -4.622 -0.087 1.00 0.00 C ATOM 399 OD1 ASN A 45 14.845 -5.507 -0.210 1.00 0.00 O ATOM 400 ND2 ASN A 45 13.665 -4.109 1.092 1.00 0.00 N ATOM 0 H ASN A 45 12.816 -1.699 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 45 15.130 -3.081 -1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.384 -3.527 -0.968 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.936 -4.886 -1.926 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.118 -4.447 1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.957 -3.377 1.149 1.00 0.00 H new ATOM 407 N LEU A 46 13.389 -3.243 -4.406 1.00 0.00 N ATOM 408 CA LEU A 46 13.411 -3.606 -5.813 1.00 0.00 C ATOM 409 C LEU A 46 13.300 -2.337 -6.642 1.00 0.00 C ATOM 410 O LEU A 46 12.536 -2.257 -7.603 1.00 0.00 O ATOM 411 CB LEU A 46 12.266 -4.560 -6.141 1.00 0.00 C ATOM 412 CG LEU A 46 12.601 -5.655 -7.155 1.00 0.00 C ATOM 413 CD1 LEU A 46 11.878 -6.947 -6.806 1.00 0.00 C ATOM 414 CD2 LEU A 46 12.242 -5.204 -8.563 1.00 0.00 C ATOM 0 H LEU A 46 12.596 -2.658 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 46 14.345 -4.118 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.932 -5.032 -5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.427 -3.978 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 46 13.674 -5.843 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.129 -7.714 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.184 -7.279 -5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.802 -6.775 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.487 -5.995 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.175 -4.988 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.807 -4.306 -8.812 1.00 0.00 H new ATOM 426 N ASP A 47 14.079 -1.350 -6.230 1.00 0.00 N ATOM 427 CA ASP A 47 14.119 -0.048 -6.871 1.00 0.00 C ATOM 428 C ASP A 47 15.098 0.885 -6.159 1.00 0.00 C ATOM 429 O ASP A 47 15.633 1.811 -6.759 1.00 0.00 O ATOM 430 CB ASP A 47 12.736 0.596 -6.880 1.00 0.00 C ATOM 431 CG ASP A 47 11.970 0.336 -8.162 1.00 0.00 C ATOM 432 OD1 ASP A 47 12.361 0.890 -9.209 1.00 0.00 O ATOM 433 OD2 ASP A 47 10.976 -0.419 -8.118 1.00 0.00 O ATOM 0 H ASP A 47 14.708 -1.433 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 47 14.453 -0.203 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.160 0.218 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.841 1.672 -6.738 1.00 0.00 H new ATOM 438 N SER A 48 15.329 0.654 -4.875 1.00 0.00 N ATOM 439 CA SER A 48 16.257 1.494 -4.134 1.00 0.00 C ATOM 440 C SER A 48 17.680 1.015 -4.368 1.00 0.00 C ATOM 441 O SER A 48 18.627 1.796 -4.308 1.00 0.00 O ATOM 442 CB SER A 48 15.974 1.475 -2.634 1.00 0.00 C ATOM 443 OG SER A 48 17.100 1.917 -1.895 1.00 0.00 O ATOM 0 H SER A 48 14.896 -0.094 -4.333 1.00 0.00 H new ATOM 0 HA SER A 48 16.129 2.515 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.118 2.113 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.706 0.465 -2.324 1.00 0.00 H new ATOM 0 HG SER A 48 16.952 1.748 -0.941 1.00 0.00 H new ATOM 449 N LEU A 49 17.824 -0.283 -4.628 1.00 0.00 N ATOM 450 CA LEU A 49 19.141 -0.861 -4.865 1.00 0.00 C ATOM 451 C LEU A 49 19.364 -1.129 -6.345 1.00 0.00 C ATOM 452 O LEU A 49 20.291 -1.838 -6.737 1.00 0.00 O ATOM 453 CB LEU A 49 19.322 -2.142 -4.050 1.00 0.00 C ATOM 454 CG LEU A 49 18.623 -3.377 -4.623 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.608 -4.237 -5.404 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.971 -4.186 -3.511 1.00 0.00 C ATOM 0 H LEU A 49 17.052 -0.947 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 49 19.889 -0.138 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.388 -2.353 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.950 -1.968 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 49 17.843 -3.043 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.092 -5.110 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.027 -3.656 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.411 -4.562 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.479 -5.060 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.733 -4.509 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.234 -3.569 -2.997 1.00 0.00 H new ATOM 468 N TRP A 50 18.519 -0.523 -7.152 1.00 0.00 N ATOM 469 CA TRP A 50 18.600 -0.631 -8.600 1.00 0.00 C ATOM 470 C TRP A 50 18.930 0.747 -9.173 1.00 0.00 C ATOM 471 O TRP A 50 19.148 0.921 -10.372 1.00 0.00 O ATOM 472 CB TRP A 50 17.263 -1.162 -9.149 1.00 0.00 C ATOM 473 CG TRP A 50 16.324 -0.081 -9.558 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.261 1.138 -9.000 1.00 0.00 C ATOM 475 CD2 TRP A 50 15.327 -0.117 -10.582 1.00 0.00 C ATOM 476 NE1 TRP A 50 15.298 1.900 -9.616 1.00 0.00 N ATOM 477 CE2 TRP A 50 14.705 1.145 -10.595 1.00 0.00 C ATOM 478 CE3 TRP A 50 14.906 -1.086 -11.489 1.00 0.00 C ATOM 479 CZ2 TRP A 50 13.682 1.461 -11.486 1.00 0.00 C ATOM 480 CZ3 TRP A 50 13.889 -0.775 -12.373 1.00 0.00 C ATOM 481 CH2 TRP A 50 13.288 0.491 -12.367 1.00 0.00 C ATOM 0 H TRP A 50 17.751 0.063 -6.824 1.00 0.00 H new ATOM 0 HA TRP A 50 19.384 -1.330 -8.893 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.460 -1.806 -10.006 1.00 0.00 H new ATOM 0 HB3 TRP A 50 16.786 -1.780 -8.389 1.00 0.00 H new ATOM 0 HD1 TRP A 50 16.881 1.473 -8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.064 2.865 -9.384 1.00 0.00 H new ATOM 0 HE3 TRP A 50 15.366 -2.063 -11.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.217 2.436 -11.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 13.553 -1.520 -13.079 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.498 0.705 -13.072 1.00 0.00 H new ATOM 492 N GLU A 51 18.914 1.720 -8.268 1.00 0.00 N ATOM 493 CA GLU A 51 19.151 3.115 -8.566 1.00 0.00 C ATOM 494 C GLU A 51 20.641 3.410 -8.718 1.00 0.00 C ATOM 495 O GLU A 51 21.429 2.445 -8.808 1.00 0.00 O ATOM 496 CB GLU A 51 18.549 3.921 -7.415 1.00 0.00 C ATOM 497 CG GLU A 51 19.260 3.684 -6.098 1.00 0.00 C ATOM 498 CD GLU A 51 20.444 4.609 -5.896 1.00 0.00 C ATOM 499 OE1 GLU A 51 20.228 5.835 -5.789 1.00 0.00 O ATOM 500 OE2 GLU A 51 21.587 4.108 -5.844 1.00 0.00 O ATOM 501 OXT GLU A 51 21.007 4.604 -8.747 1.00 0.00 O ATOM 0 H GLU A 51 18.730 1.547 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 51 18.689 3.385 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.591 4.982 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.496 3.660 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.554 3.821 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.601 2.650 -6.055 1.00 0.00 H new TER 508 GLU A 51