USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 254 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.111 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.236 K(o=-0.24,f=-3!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.301 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -86:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.122 -19.450 -19.906 1.00 0.00 N ATOM 2 CA MET A 1 -7.395 -18.379 -20.643 1.00 0.00 C ATOM 3 C MET A 1 -5.889 -18.627 -20.549 1.00 0.00 C ATOM 4 O MET A 1 -5.449 -19.666 -20.098 1.00 0.00 O ATOM 5 CB MET A 1 -7.728 -17.019 -20.025 1.00 0.00 C ATOM 6 CG MET A 1 -7.766 -15.955 -21.124 1.00 0.00 C ATOM 7 SD MET A 1 -9.487 -15.517 -21.477 1.00 0.00 S ATOM 8 CE MET A 1 -9.258 -15.093 -23.221 1.00 0.00 C ATOM 0 H1 MET A 1 -8.912 -19.796 -20.487 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.471 -20.235 -19.704 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.491 -19.067 -19.012 1.00 0.00 H new ATOM 0 HA MET A 1 -7.699 -18.387 -21.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.690 -17.065 -19.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.982 -16.756 -19.275 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.211 -15.071 -20.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.282 -16.330 -22.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.213 -14.787 -23.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.543 -14.274 -23.306 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.880 -15.962 -23.760 1.00 0.00 H new ATOM 20 N GLY A 2 -5.095 -17.682 -20.971 1.00 0.00 N ATOM 21 CA GLY A 2 -3.617 -17.866 -20.907 1.00 0.00 C ATOM 22 C GLY A 2 -2.957 -16.555 -20.474 1.00 0.00 C ATOM 23 O GLY A 2 -3.611 -15.546 -20.300 1.00 0.00 O ATOM 0 H GLY A 2 -5.405 -16.790 -21.357 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.369 -18.660 -20.203 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.236 -18.173 -21.881 1.00 0.00 H new ATOM 27 N LYS A 3 -1.663 -16.562 -20.299 1.00 0.00 N ATOM 28 CA LYS A 3 -0.960 -15.324 -19.879 1.00 0.00 C ATOM 29 C LYS A 3 -1.291 -15.019 -18.421 1.00 0.00 C ATOM 30 O LYS A 3 -2.426 -14.774 -18.066 1.00 0.00 O ATOM 31 CB LYS A 3 -1.408 -14.164 -20.756 1.00 0.00 C ATOM 32 CG LYS A 3 -1.599 -14.651 -22.195 1.00 0.00 C ATOM 33 CD LYS A 3 -0.850 -13.721 -23.152 1.00 0.00 C ATOM 34 CE LYS A 3 0.277 -14.496 -23.838 1.00 0.00 C ATOM 35 NZ LYS A 3 1.302 -13.540 -24.340 1.00 0.00 N ATOM 0 H LYS A 3 -1.064 -17.377 -20.430 1.00 0.00 H new ATOM 0 HA LYS A 3 0.116 -15.464 -19.984 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.341 -13.747 -20.376 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.666 -13.366 -20.727 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.228 -15.671 -22.297 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.660 -14.671 -22.446 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.536 -13.320 -23.898 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.441 -12.871 -22.605 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.730 -15.197 -23.137 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.122 -15.085 -24.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.068 -14.066 -24.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.864 -12.888 -25.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.690 -12.997 -23.543 1.00 0.00 H new ATOM 49 N ALA A 4 -0.303 -15.033 -17.577 1.00 0.00 N ATOM 50 CA ALA A 4 -0.546 -14.745 -16.136 1.00 0.00 C ATOM 51 C ALA A 4 0.601 -13.896 -15.581 1.00 0.00 C ATOM 52 O ALA A 4 0.387 -12.852 -14.997 1.00 0.00 O ATOM 53 CB ALA A 4 -0.625 -16.061 -15.359 1.00 0.00 C ATOM 0 H ALA A 4 0.667 -15.232 -17.821 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.485 -14.201 -16.030 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.803 -15.851 -14.304 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.442 -16.667 -15.751 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.314 -16.604 -15.467 1.00 0.00 H new ATOM 59 N GLU A 5 1.817 -14.336 -15.759 1.00 0.00 N ATOM 60 CA GLU A 5 2.977 -13.554 -15.242 1.00 0.00 C ATOM 61 C GLU A 5 3.137 -12.270 -16.059 1.00 0.00 C ATOM 62 O GLU A 5 2.803 -11.192 -15.610 1.00 0.00 O ATOM 63 CB GLU A 5 4.250 -14.395 -15.362 1.00 0.00 C ATOM 64 CG GLU A 5 4.974 -14.421 -14.015 1.00 0.00 C ATOM 65 CD GLU A 5 5.477 -15.839 -13.733 1.00 0.00 C ATOM 66 OE1 GLU A 5 6.520 -16.191 -14.257 1.00 0.00 O ATOM 67 OE2 GLU A 5 4.809 -16.547 -12.998 1.00 0.00 O ATOM 0 H GLU A 5 2.058 -15.203 -16.240 1.00 0.00 H new ATOM 0 HA GLU A 5 2.804 -13.298 -14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.000 -15.410 -15.672 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.902 -13.979 -16.129 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.811 -13.722 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.300 -14.098 -13.222 1.00 0.00 H new ATOM 74 N ASN A 6 3.646 -12.377 -17.256 1.00 0.00 N ATOM 75 CA ASN A 6 3.830 -11.164 -18.100 1.00 0.00 C ATOM 76 C ASN A 6 2.477 -10.484 -18.323 1.00 0.00 C ATOM 77 O ASN A 6 2.405 -9.348 -18.748 1.00 0.00 O ATOM 78 CB ASN A 6 4.424 -11.566 -19.452 1.00 0.00 C ATOM 79 CG ASN A 6 5.951 -11.567 -19.361 1.00 0.00 C ATOM 80 OD1 ASN A 6 6.517 -11.007 -18.445 1.00 0.00 O ATOM 81 ND2 ASN A 6 6.647 -12.177 -20.281 1.00 0.00 N ATOM 0 H ASN A 6 3.942 -13.253 -17.686 1.00 0.00 H new ATOM 0 HA ASN A 6 4.506 -10.473 -17.596 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.066 -12.555 -19.738 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.096 -10.872 -20.226 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.666 -12.183 -20.230 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.172 -12.648 -21.051 1.00 0.00 H new ATOM 88 N TYR A 7 1.403 -11.170 -18.041 1.00 0.00 N ATOM 89 CA TYR A 7 0.058 -10.564 -18.239 1.00 0.00 C ATOM 90 C TYR A 7 -0.147 -9.423 -17.240 1.00 0.00 C ATOM 91 O TYR A 7 -0.027 -8.261 -17.576 1.00 0.00 O ATOM 92 CB TYR A 7 -1.017 -11.629 -18.021 1.00 0.00 C ATOM 93 CG TYR A 7 -2.384 -10.990 -18.088 1.00 0.00 C ATOM 94 CD1 TYR A 7 -2.585 -9.851 -18.875 1.00 0.00 C ATOM 95 CD2 TYR A 7 -3.449 -11.539 -17.365 1.00 0.00 C ATOM 96 CE1 TYR A 7 -3.852 -9.257 -18.939 1.00 0.00 C ATOM 97 CE2 TYR A 7 -4.717 -10.947 -17.427 1.00 0.00 C ATOM 98 CZ TYR A 7 -4.917 -9.807 -18.214 1.00 0.00 C ATOM 99 OH TYR A 7 -6.167 -9.222 -18.277 1.00 0.00 O ATOM 0 H TYR A 7 1.400 -12.125 -17.682 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.015 -10.173 -19.254 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.931 -12.408 -18.779 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.876 -12.110 -17.053 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.763 -9.429 -19.434 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.293 -12.419 -16.759 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.007 -8.377 -19.546 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.539 -11.370 -16.868 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.793 -9.727 -17.717 1.00 0.00 H new ATOM 109 N GLU A 8 -0.460 -9.744 -16.014 1.00 0.00 N ATOM 110 CA GLU A 8 -0.677 -8.680 -14.995 1.00 0.00 C ATOM 111 C GLU A 8 0.539 -7.751 -14.947 1.00 0.00 C ATOM 112 O GLU A 8 0.406 -6.545 -14.864 1.00 0.00 O ATOM 113 CB GLU A 8 -0.879 -9.325 -13.622 1.00 0.00 C ATOM 114 CG GLU A 8 -2.296 -9.032 -13.125 1.00 0.00 C ATOM 115 CD GLU A 8 -2.398 -9.376 -11.637 1.00 0.00 C ATOM 116 OE1 GLU A 8 -1.593 -10.167 -11.177 1.00 0.00 O ATOM 117 OE2 GLU A 8 -3.280 -8.842 -10.986 1.00 0.00 O ATOM 0 H GLU A 8 -0.575 -10.699 -15.674 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.561 -8.101 -15.262 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.720 -10.401 -13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.146 -8.937 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.538 -7.981 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.020 -9.615 -13.694 1.00 0.00 H new ATOM 124 N LEU A 9 1.722 -8.298 -14.993 1.00 0.00 N ATOM 125 CA LEU A 9 2.939 -7.440 -14.944 1.00 0.00 C ATOM 126 C LEU A 9 2.906 -6.435 -16.098 1.00 0.00 C ATOM 127 O LEU A 9 3.327 -5.303 -15.958 1.00 0.00 O ATOM 128 CB LEU A 9 4.188 -8.317 -15.068 1.00 0.00 C ATOM 129 CG LEU A 9 5.075 -8.115 -13.839 1.00 0.00 C ATOM 130 CD1 LEU A 9 5.350 -9.468 -13.179 1.00 0.00 C ATOM 131 CD2 LEU A 9 6.400 -7.478 -14.264 1.00 0.00 C ATOM 0 H LEU A 9 1.899 -9.300 -15.062 1.00 0.00 H new ATOM 0 HA LEU A 9 2.964 -6.903 -13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.902 -9.365 -15.156 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.738 -8.060 -15.973 1.00 0.00 H new ATOM 0 HG LEU A 9 4.568 -7.461 -13.130 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.982 -9.324 -12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.407 -9.923 -12.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.857 -10.123 -13.888 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.032 -7.334 -13.388 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.907 -8.132 -14.974 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.206 -6.514 -14.734 1.00 0.00 H new ATOM 143 N TYR A 10 2.411 -6.838 -17.236 1.00 0.00 N ATOM 144 CA TYR A 10 2.355 -5.900 -18.394 1.00 0.00 C ATOM 145 C TYR A 10 1.288 -4.835 -18.140 1.00 0.00 C ATOM 146 O TYR A 10 1.464 -3.677 -18.463 1.00 0.00 O ATOM 147 CB TYR A 10 2.006 -6.678 -19.665 1.00 0.00 C ATOM 148 CG TYR A 10 1.839 -5.718 -20.820 1.00 0.00 C ATOM 149 CD1 TYR A 10 2.467 -4.467 -20.792 1.00 0.00 C ATOM 150 CD2 TYR A 10 1.053 -6.081 -21.922 1.00 0.00 C ATOM 151 CE1 TYR A 10 2.311 -3.579 -21.863 1.00 0.00 C ATOM 152 CE2 TYR A 10 0.896 -5.193 -22.993 1.00 0.00 C ATOM 153 CZ TYR A 10 1.525 -3.943 -22.964 1.00 0.00 C ATOM 154 OH TYR A 10 1.371 -3.067 -24.020 1.00 0.00 O ATOM 0 H TYR A 10 2.044 -7.773 -17.414 1.00 0.00 H new ATOM 0 HA TYR A 10 3.325 -5.419 -18.517 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.792 -7.399 -19.889 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.087 -7.245 -19.515 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.073 -4.187 -19.943 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.568 -7.046 -21.945 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.796 -2.614 -21.840 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.289 -5.473 -23.842 1.00 0.00 H new ATOM 0 HH TYR A 10 0.797 -3.474 -24.702 1.00 0.00 H new ATOM 164 N GLN A 11 0.181 -5.215 -17.562 1.00 0.00 N ATOM 165 CA GLN A 11 -0.897 -4.222 -17.289 1.00 0.00 C ATOM 166 C GLN A 11 -0.384 -3.173 -16.300 1.00 0.00 C ATOM 167 O GLN A 11 -0.733 -2.012 -16.374 1.00 0.00 O ATOM 168 CB GLN A 11 -2.110 -4.936 -16.691 1.00 0.00 C ATOM 169 CG GLN A 11 -2.920 -5.594 -17.812 1.00 0.00 C ATOM 170 CD GLN A 11 -4.381 -5.157 -17.710 1.00 0.00 C ATOM 171 OE1 GLN A 11 -5.113 -5.634 -16.865 1.00 0.00 O ATOM 172 NE2 GLN A 11 -4.843 -4.263 -18.542 1.00 0.00 N ATOM 0 H GLN A 11 -0.024 -6.170 -17.267 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.186 -3.734 -18.220 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.785 -5.689 -15.973 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.732 -4.225 -16.147 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.512 -5.313 -18.783 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.848 -6.679 -17.738 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.230 -3.862 -19.252 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.817 -3.966 -18.482 1.00 0.00 H new ATOM 181 N VAL A 12 0.442 -3.572 -15.373 1.00 0.00 N ATOM 182 CA VAL A 12 0.975 -2.598 -14.380 1.00 0.00 C ATOM 183 C VAL A 12 2.102 -1.785 -15.018 1.00 0.00 C ATOM 184 O VAL A 12 2.474 -0.733 -14.535 1.00 0.00 O ATOM 185 CB VAL A 12 1.517 -3.352 -13.164 1.00 0.00 C ATOM 186 CG1 VAL A 12 2.505 -4.424 -13.627 1.00 0.00 C ATOM 187 CG2 VAL A 12 2.230 -2.371 -12.232 1.00 0.00 C ATOM 0 H VAL A 12 0.771 -4.531 -15.260 1.00 0.00 H new ATOM 0 HA VAL A 12 0.175 -1.928 -14.065 1.00 0.00 H new ATOM 0 HB VAL A 12 0.691 -3.824 -12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.891 -4.961 -12.761 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.998 -5.124 -14.291 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.331 -3.952 -14.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.616 -2.908 -11.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.056 -1.899 -12.764 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.527 -1.607 -11.901 1.00 0.00 H new ATOM 197 N GLU A 13 2.652 -2.262 -16.102 1.00 0.00 N ATOM 198 CA GLU A 13 3.755 -1.514 -16.769 1.00 0.00 C ATOM 199 C GLU A 13 3.163 -0.544 -17.794 1.00 0.00 C ATOM 200 O GLU A 13 3.836 0.341 -18.286 1.00 0.00 O ATOM 201 CB GLU A 13 4.686 -2.500 -17.477 1.00 0.00 C ATOM 202 CG GLU A 13 6.132 -2.016 -17.354 1.00 0.00 C ATOM 203 CD GLU A 13 6.763 -2.610 -16.092 1.00 0.00 C ATOM 204 OE1 GLU A 13 6.036 -2.829 -15.137 1.00 0.00 O ATOM 205 OE2 GLU A 13 7.962 -2.837 -16.103 1.00 0.00 O ATOM 0 H GLU A 13 2.385 -3.137 -16.554 1.00 0.00 H new ATOM 0 HA GLU A 13 4.320 -0.955 -16.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.585 -3.492 -17.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.409 -2.588 -18.528 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.703 -2.314 -18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.160 -0.927 -17.310 1.00 0.00 H new ATOM 212 N LEU A 14 1.909 -0.702 -18.118 1.00 0.00 N ATOM 213 CA LEU A 14 1.275 0.213 -19.110 1.00 0.00 C ATOM 214 C LEU A 14 1.480 1.663 -18.667 1.00 0.00 C ATOM 215 O LEU A 14 2.008 2.478 -19.397 1.00 0.00 O ATOM 216 CB LEU A 14 -0.222 -0.088 -19.197 1.00 0.00 C ATOM 217 CG LEU A 14 -0.575 -0.510 -20.625 1.00 0.00 C ATOM 218 CD1 LEU A 14 -0.125 0.575 -21.605 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.135 -1.824 -20.958 1.00 0.00 C ATOM 0 H LEU A 14 1.296 -1.424 -17.739 1.00 0.00 H new ATOM 0 HA LEU A 14 1.732 0.063 -20.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.486 -0.880 -18.496 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.798 0.793 -18.914 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.653 -0.648 -20.707 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.377 0.274 -22.622 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.630 1.511 -21.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.953 0.714 -21.524 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.116 -2.126 -21.975 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.213 -1.686 -20.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.186 -2.598 -20.261 1.00 0.00 H new ATOM 231 N GLY A 15 1.065 1.992 -17.474 1.00 0.00 N ATOM 232 CA GLY A 15 1.237 3.389 -16.983 1.00 0.00 C ATOM 233 C GLY A 15 0.093 4.261 -17.511 1.00 0.00 C ATOM 234 O GLY A 15 -0.754 3.791 -18.243 1.00 0.00 O ATOM 0 H GLY A 15 0.614 1.354 -16.818 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.247 3.404 -15.893 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.195 3.787 -17.316 1.00 0.00 H new ATOM 238 N PRO A 16 0.109 5.510 -17.120 1.00 0.00 N ATOM 239 CA PRO A 16 -0.915 6.484 -17.536 1.00 0.00 C ATOM 240 C PRO A 16 -0.655 6.955 -18.971 1.00 0.00 C ATOM 241 O PRO A 16 -1.472 6.774 -19.851 1.00 0.00 O ATOM 242 CB PRO A 16 -0.740 7.636 -16.542 1.00 0.00 C ATOM 243 CG PRO A 16 0.702 7.522 -15.992 1.00 0.00 C ATOM 244 CD PRO A 16 1.149 6.067 -16.232 1.00 0.00 C ATOM 0 HA PRO A 16 -1.925 6.073 -17.531 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.894 8.598 -17.031 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.470 7.568 -15.735 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.367 8.221 -16.500 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.733 7.767 -14.930 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.134 6.025 -16.697 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.214 5.511 -15.297 1.00 0.00 H new ATOM 252 N GLY A 17 0.477 7.559 -19.210 1.00 0.00 N ATOM 253 CA GLY A 17 0.788 8.039 -20.588 1.00 0.00 C ATOM 254 C GLY A 17 1.380 6.890 -21.409 1.00 0.00 C ATOM 255 O GLY A 17 1.909 5.944 -20.856 1.00 0.00 O ATOM 0 H GLY A 17 1.199 7.741 -18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.117 8.413 -21.067 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.493 8.870 -20.545 1.00 0.00 H new ATOM 259 N PRO A 18 1.274 7.009 -22.706 1.00 0.00 N ATOM 260 CA PRO A 18 1.789 5.994 -23.642 1.00 0.00 C ATOM 261 C PRO A 18 3.307 6.128 -23.793 1.00 0.00 C ATOM 262 O PRO A 18 4.066 5.345 -23.256 1.00 0.00 O ATOM 263 CB PRO A 18 1.079 6.325 -24.956 1.00 0.00 C ATOM 264 CG PRO A 18 0.653 7.810 -24.862 1.00 0.00 C ATOM 265 CD PRO A 18 0.629 8.165 -23.363 1.00 0.00 C ATOM 0 HA PRO A 18 1.606 4.972 -23.310 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.742 6.164 -25.806 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.212 5.681 -25.102 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.353 8.449 -25.401 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.328 7.961 -25.312 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.171 9.090 -23.164 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.390 8.309 -23.004 1.00 0.00 H new ATOM 273 N SER A 19 3.756 7.114 -24.521 1.00 0.00 N ATOM 274 CA SER A 19 5.223 7.298 -24.706 1.00 0.00 C ATOM 275 C SER A 19 5.871 5.948 -25.023 1.00 0.00 C ATOM 276 O SER A 19 6.841 5.554 -24.406 1.00 0.00 O ATOM 277 CB SER A 19 5.832 7.865 -23.424 1.00 0.00 C ATOM 278 OG SER A 19 4.791 8.176 -22.508 1.00 0.00 O ATOM 0 H SER A 19 3.170 7.800 -24.996 1.00 0.00 H new ATOM 0 HA SER A 19 5.400 7.989 -25.530 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.517 7.141 -22.982 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.414 8.759 -23.648 1.00 0.00 H new ATOM 0 HG SER A 19 5.178 8.538 -21.684 1.00 0.00 H new ATOM 284 N GLY A 20 5.344 5.237 -25.982 1.00 0.00 N ATOM 285 CA GLY A 20 5.932 3.914 -26.336 1.00 0.00 C ATOM 286 C GLY A 20 4.887 2.817 -26.127 1.00 0.00 C ATOM 287 O GLY A 20 5.063 1.923 -25.323 1.00 0.00 O ATOM 0 H GLY A 20 4.533 5.514 -26.535 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.267 3.919 -27.373 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.809 3.717 -25.719 1.00 0.00 H new ATOM 291 N ASP A 21 3.798 2.878 -26.843 1.00 0.00 N ATOM 292 CA ASP A 21 2.743 1.838 -26.683 1.00 0.00 C ATOM 293 C ASP A 21 2.518 1.131 -28.022 1.00 0.00 C ATOM 294 O ASP A 21 1.461 1.223 -28.613 1.00 0.00 O ATOM 295 CB ASP A 21 1.441 2.499 -26.230 1.00 0.00 C ATOM 296 CG ASP A 21 0.850 1.715 -25.057 1.00 0.00 C ATOM 297 OD1 ASP A 21 1.150 0.538 -24.945 1.00 0.00 O ATOM 298 OD2 ASP A 21 0.107 2.305 -24.290 1.00 0.00 O ATOM 0 H ASP A 21 3.593 3.602 -27.531 1.00 0.00 H new ATOM 0 HA ASP A 21 3.059 1.110 -25.936 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.629 3.531 -25.933 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.730 2.529 -27.056 1.00 0.00 H new ATOM 303 N MET A 22 3.505 0.427 -28.505 1.00 0.00 N ATOM 304 CA MET A 22 3.344 -0.282 -29.805 1.00 0.00 C ATOM 305 C MET A 22 4.609 -1.091 -30.108 1.00 0.00 C ATOM 306 O MET A 22 4.545 -2.256 -30.450 1.00 0.00 O ATOM 307 CB MET A 22 3.116 0.743 -30.919 1.00 0.00 C ATOM 308 CG MET A 22 1.698 0.592 -31.470 1.00 0.00 C ATOM 309 SD MET A 22 0.769 2.115 -31.169 1.00 0.00 S ATOM 310 CE MET A 22 -0.161 2.126 -32.721 1.00 0.00 C ATOM 0 H MET A 22 4.414 0.313 -28.056 1.00 0.00 H new ATOM 0 HA MET A 22 2.488 -0.955 -29.748 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.262 1.752 -30.534 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.845 0.597 -31.716 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.732 0.379 -32.539 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.199 -0.251 -30.993 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.813 2.999 -32.749 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.533 2.164 -33.561 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.764 1.221 -32.790 1.00 0.00 H new ATOM 320 N ALA A 23 5.756 -0.482 -29.989 1.00 0.00 N ATOM 321 CA ALA A 23 7.022 -1.215 -30.274 1.00 0.00 C ATOM 322 C ALA A 23 7.398 -2.083 -29.070 1.00 0.00 C ATOM 323 O ALA A 23 8.280 -2.914 -29.145 1.00 0.00 O ATOM 324 CB ALA A 23 8.142 -0.208 -30.544 1.00 0.00 C ATOM 0 H ALA A 23 5.872 0.491 -29.707 1.00 0.00 H new ATOM 0 HA ALA A 23 6.882 -1.851 -31.148 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.069 -0.742 -30.753 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.877 0.409 -31.403 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.279 0.428 -29.669 1.00 0.00 H new ATOM 330 N ALA A 24 6.736 -1.897 -27.961 1.00 0.00 N ATOM 331 CA ALA A 24 7.058 -2.712 -26.757 1.00 0.00 C ATOM 332 C ALA A 24 6.862 -4.196 -27.074 1.00 0.00 C ATOM 333 O ALA A 24 7.350 -5.061 -26.373 1.00 0.00 O ATOM 334 CB ALA A 24 6.132 -2.310 -25.606 1.00 0.00 C ATOM 0 H ALA A 24 5.987 -1.216 -27.837 1.00 0.00 H new ATOM 0 HA ALA A 24 8.095 -2.537 -26.469 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.367 -2.906 -24.724 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.273 -1.254 -25.378 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.096 -2.484 -25.895 1.00 0.00 H new ATOM 340 N LYS A 25 6.151 -4.500 -28.126 1.00 0.00 N ATOM 341 CA LYS A 25 5.924 -5.929 -28.486 1.00 0.00 C ATOM 342 C LYS A 25 7.073 -6.424 -29.367 1.00 0.00 C ATOM 343 O LYS A 25 7.751 -7.378 -29.042 1.00 0.00 O ATOM 344 CB LYS A 25 4.605 -6.057 -29.250 1.00 0.00 C ATOM 345 CG LYS A 25 3.645 -6.954 -28.466 1.00 0.00 C ATOM 346 CD LYS A 25 2.486 -6.114 -27.926 1.00 0.00 C ATOM 347 CE LYS A 25 1.207 -6.953 -27.917 1.00 0.00 C ATOM 348 NZ LYS A 25 0.106 -6.189 -28.569 1.00 0.00 N ATOM 0 H LYS A 25 5.718 -3.821 -28.752 1.00 0.00 H new ATOM 0 HA LYS A 25 5.879 -6.530 -27.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.161 -5.072 -29.397 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.785 -6.477 -30.240 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.264 -7.747 -29.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.172 -7.437 -27.643 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.713 -5.768 -26.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.347 -5.227 -28.544 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.373 -7.893 -28.443 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.932 -7.205 -26.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.763 -6.760 -28.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.057 -5.303 -28.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.369 -5.970 -29.551 1.00 0.00 H new ATOM 362 N MET A 26 7.295 -5.785 -30.482 1.00 0.00 N ATOM 363 CA MET A 26 8.397 -6.219 -31.385 1.00 0.00 C ATOM 364 C MET A 26 9.710 -6.275 -30.602 1.00 0.00 C ATOM 365 O MET A 26 10.644 -6.951 -30.984 1.00 0.00 O ATOM 366 CB MET A 26 8.533 -5.222 -32.538 1.00 0.00 C ATOM 367 CG MET A 26 8.661 -3.807 -31.975 1.00 0.00 C ATOM 368 SD MET A 26 8.732 -2.618 -33.339 1.00 0.00 S ATOM 369 CE MET A 26 10.484 -2.193 -33.177 1.00 0.00 C ATOM 0 H MET A 26 6.760 -4.980 -30.807 1.00 0.00 H new ATOM 0 HA MET A 26 8.171 -7.208 -31.783 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.407 -5.465 -33.142 1.00 0.00 H new ATOM 0 HB3 MET A 26 7.665 -5.287 -33.194 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.813 -3.584 -31.328 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.559 -3.728 -31.362 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.752 -1.458 -33.936 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.667 -1.775 -32.187 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.090 -3.089 -33.310 1.00 0.00 H new ATOM 379 N SER A 27 9.790 -5.567 -29.509 1.00 0.00 N ATOM 380 CA SER A 27 11.044 -5.577 -28.704 1.00 0.00 C ATOM 381 C SER A 27 10.980 -6.698 -27.663 1.00 0.00 C ATOM 382 O SER A 27 11.985 -7.281 -27.303 1.00 0.00 O ATOM 383 CB SER A 27 11.204 -4.232 -27.994 1.00 0.00 C ATOM 384 OG SER A 27 9.995 -3.911 -27.319 1.00 0.00 O ATOM 0 H SER A 27 9.041 -4.982 -29.139 1.00 0.00 H new ATOM 0 HA SER A 27 11.895 -5.745 -29.364 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.029 -4.279 -27.284 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.449 -3.453 -28.716 1.00 0.00 H new ATOM 0 HG SER A 27 9.386 -3.457 -27.938 1.00 0.00 H new ATOM 390 N LYS A 28 9.810 -7.003 -27.174 1.00 0.00 N ATOM 391 CA LYS A 28 9.688 -8.084 -26.154 1.00 0.00 C ATOM 392 C LYS A 28 9.754 -9.448 -26.840 1.00 0.00 C ATOM 393 O LYS A 28 9.878 -10.471 -26.197 1.00 0.00 O ATOM 394 CB LYS A 28 8.351 -7.946 -25.423 1.00 0.00 C ATOM 395 CG LYS A 28 8.322 -8.904 -24.230 1.00 0.00 C ATOM 396 CD LYS A 28 7.158 -9.884 -24.391 1.00 0.00 C ATOM 397 CE LYS A 28 5.858 -9.212 -23.943 1.00 0.00 C ATOM 398 NZ LYS A 28 5.423 -9.794 -22.643 1.00 0.00 N ATOM 0 H LYS A 28 8.934 -6.552 -27.436 1.00 0.00 H new ATOM 0 HA LYS A 28 10.506 -7.999 -25.438 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.215 -6.920 -25.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.528 -8.169 -26.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.264 -9.449 -24.165 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.213 -8.343 -23.302 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.076 -10.200 -25.431 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.339 -10.781 -23.798 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.008 -8.137 -23.841 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.083 -9.356 -24.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.540 -9.338 -22.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.265 -10.816 -22.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.161 -9.635 -21.927 1.00 0.00 H new ATOM 412 N LYS A 29 9.670 -9.476 -28.142 1.00 0.00 N ATOM 413 CA LYS A 29 9.727 -10.778 -28.863 1.00 0.00 C ATOM 414 C LYS A 29 11.066 -11.464 -28.577 1.00 0.00 C ATOM 415 O LYS A 29 11.176 -12.673 -28.622 1.00 0.00 O ATOM 416 CB LYS A 29 9.593 -10.536 -30.369 1.00 0.00 C ATOM 417 CG LYS A 29 8.493 -11.438 -30.933 1.00 0.00 C ATOM 418 CD LYS A 29 8.302 -11.141 -32.421 1.00 0.00 C ATOM 419 CE LYS A 29 7.168 -12.008 -32.973 1.00 0.00 C ATOM 420 NZ LYS A 29 7.729 -13.291 -33.486 1.00 0.00 N ATOM 0 H LYS A 29 9.564 -8.654 -28.737 1.00 0.00 H new ATOM 0 HA LYS A 29 8.911 -11.415 -28.522 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.354 -9.490 -30.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.540 -10.743 -30.867 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.759 -12.486 -30.792 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.560 -11.271 -30.395 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.071 -10.086 -32.565 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.225 -11.342 -32.964 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.434 -12.206 -32.192 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.648 -11.480 -33.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.959 -13.881 -33.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.414 -13.092 -34.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.206 -13.796 -32.712 1.00 0.00 H new ATOM 434 N LYS A 30 12.082 -10.701 -28.285 1.00 0.00 N ATOM 435 CA LYS A 30 13.411 -11.311 -27.998 1.00 0.00 C ATOM 436 C LYS A 30 13.872 -10.904 -26.597 1.00 0.00 C ATOM 437 O LYS A 30 14.997 -11.144 -26.210 1.00 0.00 O ATOM 438 CB LYS A 30 14.428 -10.825 -29.032 1.00 0.00 C ATOM 439 CG LYS A 30 14.468 -11.804 -30.208 1.00 0.00 C ATOM 440 CD LYS A 30 15.922 -12.106 -30.573 1.00 0.00 C ATOM 441 CE LYS A 30 16.130 -13.621 -30.626 1.00 0.00 C ATOM 442 NZ LYS A 30 15.519 -14.165 -31.871 1.00 0.00 N ATOM 0 H LYS A 30 12.050 -9.683 -28.233 1.00 0.00 H new ATOM 0 HA LYS A 30 13.330 -12.397 -28.049 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.158 -9.829 -29.383 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.415 -10.746 -28.577 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.949 -12.726 -29.945 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.947 -11.379 -31.066 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.166 -11.661 -31.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.593 -11.662 -29.838 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.195 -13.853 -30.600 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.679 -14.091 -29.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.661 -15.195 -31.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.500 -13.955 -31.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.969 -13.725 -32.699 1.00 0.00 H new ATOM 456 N ALA A 31 13.010 -10.290 -25.833 1.00 0.00 N ATOM 457 CA ALA A 31 13.402 -9.872 -24.458 1.00 0.00 C ATOM 458 C ALA A 31 13.677 -11.115 -23.610 1.00 0.00 C ATOM 459 O ALA A 31 14.748 -11.281 -23.063 1.00 0.00 O ATOM 460 CB ALA A 31 12.266 -9.063 -23.826 1.00 0.00 C ATOM 0 H ALA A 31 12.053 -10.060 -26.101 1.00 0.00 H new ATOM 0 HA ALA A 31 14.301 -9.257 -24.506 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.553 -8.757 -22.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.069 -8.178 -24.432 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.366 -9.677 -23.776 1.00 0.00 H new ATOM 466 N GLY A 32 12.716 -11.992 -23.500 1.00 0.00 N ATOM 467 CA GLY A 32 12.921 -13.225 -22.690 1.00 0.00 C ATOM 468 C GLY A 32 13.772 -14.217 -23.482 1.00 0.00 C ATOM 469 O GLY A 32 14.566 -13.838 -24.321 1.00 0.00 O ATOM 0 H GLY A 32 11.798 -11.907 -23.936 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.412 -12.978 -21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.959 -13.673 -22.439 1.00 0.00 H new ATOM 473 N ARG A 33 13.613 -15.487 -23.227 1.00 0.00 N ATOM 474 CA ARG A 33 14.414 -16.502 -23.968 1.00 0.00 C ATOM 475 C ARG A 33 14.006 -16.494 -25.443 1.00 0.00 C ATOM 476 O ARG A 33 14.836 -16.578 -26.326 1.00 0.00 O ATOM 477 CB ARG A 33 14.157 -17.887 -23.374 1.00 0.00 C ATOM 478 CG ARG A 33 15.188 -18.172 -22.280 1.00 0.00 C ATOM 479 CD ARG A 33 15.995 -19.416 -22.654 1.00 0.00 C ATOM 480 NE ARG A 33 15.065 -20.546 -22.932 1.00 0.00 N ATOM 481 CZ ARG A 33 15.500 -21.774 -22.890 1.00 0.00 C ATOM 482 NH1 ARG A 33 16.306 -22.149 -21.934 1.00 0.00 N ATOM 483 NH2 ARG A 33 15.131 -22.629 -23.804 1.00 0.00 N ATOM 0 H ARG A 33 12.963 -15.865 -22.538 1.00 0.00 H new ATOM 0 HA ARG A 33 15.474 -16.263 -23.883 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.150 -17.936 -22.961 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.219 -18.646 -24.154 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.853 -17.317 -22.160 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.687 -18.324 -21.324 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.610 -19.213 -23.531 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.673 -19.680 -21.843 1.00 0.00 H new ATOM 0 HE ARG A 33 14.088 -20.359 -23.155 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.596 -21.481 -21.220 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.646 -23.110 -21.901 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.502 -22.336 -24.552 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.472 -23.590 -23.771 1.00 0.00 H new ATOM 497 N GLY A 34 12.733 -16.397 -25.716 1.00 0.00 N ATOM 498 CA GLY A 34 12.276 -16.385 -27.135 1.00 0.00 C ATOM 499 C GLY A 34 11.407 -17.617 -27.403 1.00 0.00 C ATOM 500 O GLY A 34 11.557 -18.590 -26.683 1.00 0.00 O ATOM 501 OXT GLY A 34 10.609 -17.564 -28.323 1.00 0.00 O ATOM 0 H GLY A 34 11.991 -16.326 -25.019 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.709 -15.476 -27.338 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.136 -16.381 -27.805 1.00 0.00 H new TER 505 GLY A 34