USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 344 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 Set 1.1: A 6 CYS SG : rot 155:sc= 0.32 USER MOD Set 1.2: A 9 CYS SG : rot -77:sc= 1.37 USER MOD Set 1.3: A 39 CYS SG : rot 88:sc= 0.604 USER MOD Set 1.4: A 42 CYS SG : rot -46:sc= -3.66! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -143:sc= -2.98! USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -1.19! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 124:sc= 1.21 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -159:sc= -1.97! (180deg=-2.91!) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 0.615 (180deg=-0.722!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.855 10.976 -5.802 1.00 0.00 N ATOM 2 CA MET A 1 -2.953 10.837 -4.671 1.00 0.00 C ATOM 3 C MET A 1 -3.724 10.497 -3.394 1.00 0.00 C ATOM 4 O MET A 1 -4.052 11.384 -2.608 1.00 0.00 O ATOM 5 CB MET A 1 -2.181 12.142 -4.470 1.00 0.00 C ATOM 6 CG MET A 1 -0.673 11.910 -4.575 1.00 0.00 C ATOM 7 SD MET A 1 -0.082 12.446 -6.172 1.00 0.00 S ATOM 8 CE MET A 1 1.582 12.929 -5.741 1.00 0.00 C ATOM 0 H1 MET A 1 -3.308 11.207 -6.656 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.367 10.083 -5.949 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.536 11.738 -5.611 1.00 0.00 H new ATOM 0 HA MET A 1 -2.259 10.023 -4.881 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.493 12.872 -5.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.420 12.563 -3.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.157 12.456 -3.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.449 10.853 -4.431 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.097 13.292 -6.630 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.549 13.721 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.117 12.070 -5.337 1.00 0.00 H new ATOM 20 N ASP A 2 -3.990 9.210 -3.226 1.00 0.00 N ATOM 21 CA ASP A 2 -4.715 8.742 -2.058 1.00 0.00 C ATOM 22 C ASP A 2 -3.827 7.785 -1.260 1.00 0.00 C ATOM 23 O ASP A 2 -3.016 7.060 -1.835 1.00 0.00 O ATOM 24 CB ASP A 2 -5.982 7.984 -2.463 1.00 0.00 C ATOM 25 CG ASP A 2 -6.851 8.689 -3.506 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.727 9.498 -3.166 1.00 0.00 O ATOM 27 OD2 ASP A 2 -6.596 8.374 -4.731 1.00 0.00 O ATOM 0 H ASP A 2 -3.716 8.477 -3.880 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.990 9.612 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.694 7.007 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.583 7.808 -1.571 1.00 0.00 H new ATOM 32 N ILE A 3 -4.010 7.814 0.052 1.00 0.00 N ATOM 33 CA ILE A 3 -3.235 6.958 0.934 1.00 0.00 C ATOM 34 C ILE A 3 -4.135 5.849 1.482 1.00 0.00 C ATOM 35 O ILE A 3 -5.331 6.028 1.702 1.00 0.00 O ATOM 36 CB ILE A 3 -2.551 7.789 2.022 1.00 0.00 C ATOM 37 CG1 ILE A 3 -1.538 8.761 1.413 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.915 6.888 3.082 1.00 0.00 C ATOM 39 CD1 ILE A 3 -1.782 10.188 1.908 1.00 0.00 C ATOM 0 H ILE A 3 -4.683 8.417 0.525 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.430 6.472 0.383 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.311 8.388 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.527 8.449 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.609 8.732 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.436 7.504 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.685 6.272 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.170 6.245 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.049 10.859 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.785 10.505 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.686 10.218 2.993 1.00 0.00 H new ATOM 51 N TYR A 4 -3.524 4.683 1.701 1.00 0.00 N ATOM 52 CA TYR A 4 -4.238 3.533 2.218 1.00 0.00 C ATOM 53 C TYR A 4 -3.808 3.259 3.652 1.00 0.00 C ATOM 54 O TYR A 4 -2.610 3.292 3.930 1.00 0.00 O ATOM 55 CB TYR A 4 -3.960 2.323 1.330 1.00 0.00 C ATOM 56 CG TYR A 4 -4.849 2.253 0.111 1.00 0.00 C ATOM 57 CD1 TYR A 4 -4.586 3.070 -0.995 1.00 0.00 C ATOM 58 CD2 TYR A 4 -5.937 1.371 0.088 1.00 0.00 C ATOM 59 CE1 TYR A 4 -5.410 3.005 -2.125 1.00 0.00 C ATOM 60 CE2 TYR A 4 -6.761 1.306 -1.043 1.00 0.00 C ATOM 61 CZ TYR A 4 -6.497 2.123 -2.149 1.00 0.00 C ATOM 62 OH TYR A 4 -7.300 2.059 -3.250 1.00 0.00 O ATOM 0 H TYR A 4 -2.533 4.518 1.525 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.309 3.733 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.919 2.349 1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.090 1.414 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.747 3.750 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.140 0.742 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.207 3.635 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.600 0.626 -1.062 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.006 1.396 -3.102 1.00 0.00 H new ATOM 72 N VAL A 5 -4.773 2.998 4.521 1.00 0.00 N ATOM 73 CA VAL A 5 -4.470 2.723 5.916 1.00 0.00 C ATOM 74 C VAL A 5 -4.892 1.291 6.252 1.00 0.00 C ATOM 75 O VAL A 5 -6.001 0.873 5.923 1.00 0.00 O ATOM 76 CB VAL A 5 -5.137 3.768 6.812 1.00 0.00 C ATOM 77 CG1 VAL A 5 -4.734 3.573 8.275 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.810 5.186 6.337 1.00 0.00 C ATOM 0 H VAL A 5 -5.765 2.971 4.287 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.397 2.797 6.096 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.216 3.631 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.222 4.329 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.040 2.581 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.653 3.670 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.296 5.910 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.731 5.339 6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.169 5.320 5.317 1.00 0.00 H new ATOM 88 N CYS A 6 -3.984 0.578 6.902 1.00 0.00 N ATOM 89 CA CYS A 6 -4.248 -0.798 7.286 1.00 0.00 C ATOM 90 C CYS A 6 -5.325 -0.795 8.373 1.00 0.00 C ATOM 91 O CYS A 6 -5.433 0.158 9.143 1.00 0.00 O ATOM 92 CB CYS A 6 -2.975 -1.511 7.746 1.00 0.00 C ATOM 93 SG CYS A 6 -3.179 -3.296 8.097 1.00 0.00 S ATOM 0 H CYS A 6 -3.065 0.927 7.172 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.607 -1.357 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.211 -1.391 6.978 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.604 -1.018 8.645 1.00 0.00 H new ATOM 0 HG CYS A 6 -2.038 -3.901 7.946 1.00 0.00 H new ATOM 98 N THR A 7 -6.095 -1.873 8.402 1.00 0.00 N ATOM 99 CA THR A 7 -7.160 -2.007 9.382 1.00 0.00 C ATOM 100 C THR A 7 -6.765 -3.014 10.464 1.00 0.00 C ATOM 101 O THR A 7 -7.624 -3.551 11.160 1.00 0.00 O ATOM 102 CB THR A 7 -8.442 -2.386 8.638 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.021 -3.375 7.702 1.00 0.00 O ATOM 104 CG2 THR A 7 -8.970 -1.247 7.764 1.00 0.00 C ATOM 0 H THR A 7 -6.003 -2.662 7.762 1.00 0.00 H new ATOM 0 HA THR A 7 -7.337 -1.067 9.905 1.00 0.00 H new ATOM 0 HB THR A 7 -9.207 -2.676 9.358 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.520 -3.267 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.881 -1.568 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.188 -0.380 8.388 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.218 -0.979 7.022 1.00 0.00 H new ATOM 112 N VAL A 8 -5.463 -3.239 10.571 1.00 0.00 N ATOM 113 CA VAL A 8 -4.944 -4.171 11.557 1.00 0.00 C ATOM 114 C VAL A 8 -4.047 -3.419 12.542 1.00 0.00 C ATOM 115 O VAL A 8 -4.188 -3.569 13.755 1.00 0.00 O ATOM 116 CB VAL A 8 -4.226 -5.327 10.857 1.00 0.00 C ATOM 117 CG1 VAL A 8 -3.559 -6.255 11.874 1.00 0.00 C ATOM 118 CG2 VAL A 8 -5.187 -6.103 9.954 1.00 0.00 C ATOM 0 H VAL A 8 -4.753 -2.792 9.991 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.759 -4.612 12.131 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.444 -4.903 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.056 -7.068 11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.829 -5.692 12.456 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.316 -6.667 12.542 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.651 -6.919 9.469 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.001 -6.510 10.554 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.594 -5.434 9.196 1.00 0.00 H new ATOM 128 N CYS A 9 -3.144 -2.626 11.983 1.00 0.00 N ATOM 129 CA CYS A 9 -2.224 -1.850 12.797 1.00 0.00 C ATOM 130 C CYS A 9 -2.456 -0.367 12.502 1.00 0.00 C ATOM 131 O CYS A 9 -2.957 0.368 13.352 1.00 0.00 O ATOM 132 CB CYS A 9 -0.770 -2.260 12.555 1.00 0.00 C ATOM 133 SG CYS A 9 -0.413 -2.857 10.862 1.00 0.00 S ATOM 0 H CYS A 9 -3.030 -2.504 10.977 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.416 -2.044 13.852 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.126 -1.406 12.767 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.505 -3.044 13.265 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.840 -4.078 10.733 1.00 0.00 H new ATOM 138 N GLY A 10 -2.079 0.030 11.295 1.00 0.00 N ATOM 139 CA GLY A 10 -2.240 1.412 10.878 1.00 0.00 C ATOM 140 C GLY A 10 -1.490 1.681 9.572 1.00 0.00 C ATOM 141 O GLY A 10 -2.050 2.141 8.580 1.00 0.00 O ATOM 0 H GLY A 10 -1.663 -0.582 10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.299 1.635 10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.869 2.077 11.658 1.00 0.00 H new ATOM 145 N TYR A 11 -0.190 1.378 9.595 1.00 0.00 N ATOM 146 CA TYR A 11 0.661 1.575 8.439 1.00 0.00 C ATOM 147 C TYR A 11 0.225 2.823 7.684 1.00 0.00 C ATOM 148 O TYR A 11 -0.311 3.738 8.308 1.00 0.00 O ATOM 149 CB TYR A 11 0.586 0.345 7.538 1.00 0.00 C ATOM 150 CG TYR A 11 1.818 0.145 6.689 1.00 0.00 C ATOM 151 CD1 TYR A 11 3.091 0.281 7.257 1.00 0.00 C ATOM 152 CD2 TYR A 11 1.689 -0.178 5.332 1.00 0.00 C ATOM 153 CE1 TYR A 11 4.233 0.094 6.470 1.00 0.00 C ATOM 154 CE2 TYR A 11 2.831 -0.364 4.545 1.00 0.00 C ATOM 155 CZ TYR A 11 4.103 -0.228 5.114 1.00 0.00 C ATOM 156 OH TYR A 11 5.216 -0.410 4.346 1.00 0.00 O ATOM 0 H TYR A 11 0.290 0.994 10.409 1.00 0.00 H new ATOM 0 HA TYR A 11 1.693 1.711 8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.433 -0.540 8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.284 0.434 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.191 0.530 8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.708 -0.283 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.214 0.198 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.731 -0.612 3.499 1.00 0.00 H new ATOM 0 HH TYR A 11 4.948 -0.629 3.429 1.00 0.00 H new ATOM 166 N GLU A 12 0.456 2.839 6.380 1.00 0.00 N ATOM 167 CA GLU A 12 0.079 3.982 5.567 1.00 0.00 C ATOM 168 C GLU A 12 0.803 3.938 4.220 1.00 0.00 C ATOM 169 O GLU A 12 1.806 4.612 3.995 1.00 0.00 O ATOM 170 CB GLU A 12 0.364 5.295 6.300 1.00 0.00 C ATOM 171 CG GLU A 12 1.717 5.242 7.011 1.00 0.00 C ATOM 172 CD GLU A 12 1.561 5.522 8.507 1.00 0.00 C ATOM 173 OE1 GLU A 12 1.051 6.671 8.797 1.00 0.00 O ATOM 174 OE2 GLU A 12 1.917 4.672 9.337 1.00 0.00 O ATOM 0 H GLU A 12 0.900 2.078 5.866 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.994 3.933 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.354 6.122 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.425 5.489 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.170 4.261 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.393 5.974 6.569 1.00 0.00 H new ATOM 181 N TYR A 13 0.265 3.116 3.316 1.00 0.00 N ATOM 182 CA TYR A 13 0.833 2.960 1.992 1.00 0.00 C ATOM 183 C TYR A 13 0.737 4.274 1.230 1.00 0.00 C ATOM 184 O TYR A 13 -0.373 4.756 1.015 1.00 0.00 O ATOM 185 CB TYR A 13 0.094 1.849 1.251 1.00 0.00 C ATOM 186 CG TYR A 13 0.686 1.530 -0.101 1.00 0.00 C ATOM 187 CD1 TYR A 13 1.959 0.952 -0.189 1.00 0.00 C ATOM 188 CD2 TYR A 13 -0.038 1.810 -1.266 1.00 0.00 C ATOM 189 CE1 TYR A 13 2.507 0.655 -1.442 1.00 0.00 C ATOM 190 CE2 TYR A 13 0.511 1.513 -2.519 1.00 0.00 C ATOM 191 CZ TYR A 13 1.783 0.936 -2.608 1.00 0.00 C ATOM 192 OH TYR A 13 2.318 0.646 -3.829 1.00 0.00 O ATOM 0 H TYR A 13 -0.566 2.550 3.486 1.00 0.00 H new ATOM 0 HA TYR A 13 1.885 2.688 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.101 0.948 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.949 2.140 1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.517 0.736 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.020 2.255 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.488 0.209 -1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.047 1.729 -3.418 1.00 0.00 H new ATOM 0 HH TYR A 13 1.686 0.903 -4.532 1.00 0.00 H new ATOM 202 N ASP A 14 1.881 4.820 0.843 1.00 0.00 N ATOM 203 CA ASP A 14 1.900 6.074 0.109 1.00 0.00 C ATOM 204 C ASP A 14 2.372 5.814 -1.323 1.00 0.00 C ATOM 205 O ASP A 14 3.557 5.642 -1.599 1.00 0.00 O ATOM 206 CB ASP A 14 2.866 7.072 0.751 1.00 0.00 C ATOM 207 CG ASP A 14 2.484 7.525 2.161 1.00 0.00 C ATOM 208 OD1 ASP A 14 1.299 7.547 2.526 1.00 0.00 O ATOM 209 OD2 ASP A 14 3.477 7.871 2.909 1.00 0.00 O ATOM 0 H ASP A 14 2.800 4.417 1.024 1.00 0.00 H new ATOM 0 HA ASP A 14 0.892 6.488 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.859 6.623 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.936 7.951 0.110 1.00 0.00 H new ATOM 214 N PRO A 15 1.402 5.788 -2.241 1.00 0.00 N ATOM 215 CA PRO A 15 1.621 5.561 -3.653 1.00 0.00 C ATOM 216 C PRO A 15 2.627 6.572 -4.183 1.00 0.00 C ATOM 217 O PRO A 15 3.191 6.345 -5.252 1.00 0.00 O ATOM 218 CB PRO A 15 0.251 5.761 -4.298 1.00 0.00 C ATOM 219 CG PRO A 15 -0.736 5.471 -3.187 1.00 0.00 C ATOM 220 CD PRO A 15 -0.002 5.986 -1.951 1.00 0.00 C ATOM 0 HA PRO A 15 2.024 4.571 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.135 6.776 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.108 5.087 -5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.684 5.987 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.961 4.407 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.223 7.038 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.302 5.439 -1.057 1.00 0.00 H new ATOM 228 N ALA A 16 2.831 7.652 -3.442 1.00 0.00 N ATOM 229 CA ALA A 16 3.770 8.679 -3.858 1.00 0.00 C ATOM 230 C ALA A 16 5.198 8.162 -3.679 1.00 0.00 C ATOM 231 O ALA A 16 6.091 8.516 -4.447 1.00 0.00 O ATOM 232 CB ALA A 16 3.509 9.961 -3.065 1.00 0.00 C ATOM 0 H ALA A 16 2.361 7.837 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 16 3.636 8.916 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.214 10.732 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.491 10.303 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.636 9.763 -2.001 1.00 0.00 H new ATOM 238 N LYS A 17 5.369 7.333 -2.659 1.00 0.00 N ATOM 239 CA LYS A 17 6.674 6.763 -2.369 1.00 0.00 C ATOM 240 C LYS A 17 6.706 5.307 -2.838 1.00 0.00 C ATOM 241 O LYS A 17 7.697 4.858 -3.412 1.00 0.00 O ATOM 242 CB LYS A 17 7.019 6.940 -0.889 1.00 0.00 C ATOM 243 CG LYS A 17 8.179 7.922 -0.710 1.00 0.00 C ATOM 244 CD LYS A 17 7.975 8.790 0.533 1.00 0.00 C ATOM 245 CE LYS A 17 7.739 10.252 0.148 1.00 0.00 C ATOM 246 NZ LYS A 17 6.290 10.551 0.111 1.00 0.00 N ATOM 0 H LYS A 17 4.626 7.043 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 17 7.452 7.293 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.144 7.302 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.284 5.976 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.116 7.372 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.262 8.557 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.124 8.419 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.850 8.717 1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.233 10.907 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.183 10.454 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.148 11.547 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.827 9.938 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.876 10.378 1.049 1.00 0.00 H new ATOM 257 N GLY A 18 5.610 4.610 -2.576 1.00 0.00 N ATOM 258 CA GLY A 18 5.500 3.215 -2.964 1.00 0.00 C ATOM 259 C GLY A 18 5.973 2.293 -1.838 1.00 0.00 C ATOM 260 O GLY A 18 5.432 2.327 -0.734 1.00 0.00 O ATOM 0 H GLY A 18 4.790 4.986 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.465 2.985 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.094 3.035 -3.860 1.00 0.00 H new ATOM 264 N ASP A 19 6.980 1.492 -2.156 1.00 0.00 N ATOM 265 CA ASP A 19 7.532 0.564 -1.185 1.00 0.00 C ATOM 266 C ASP A 19 8.913 0.101 -1.656 1.00 0.00 C ATOM 267 O ASP A 19 9.156 -0.127 -2.839 1.00 0.00 O ATOM 268 CB ASP A 19 6.644 -0.673 -1.038 1.00 0.00 C ATOM 269 CG ASP A 19 5.688 -0.644 0.157 1.00 0.00 C ATOM 270 OD1 ASP A 19 4.811 0.227 0.252 1.00 0.00 O ATOM 271 OD2 ASP A 19 5.873 -1.579 1.026 1.00 0.00 O ATOM 0 H ASP A 19 7.427 1.467 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 19 7.596 1.078 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.059 -0.792 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.283 -1.552 -0.952 1.00 0.00 H new ATOM 276 N PRO A 20 9.823 -0.035 -0.689 1.00 0.00 N ATOM 277 CA PRO A 20 11.188 -0.462 -0.908 1.00 0.00 C ATOM 278 C PRO A 20 11.261 -1.982 -0.864 1.00 0.00 C ATOM 279 O PRO A 20 11.914 -2.570 -1.725 1.00 0.00 O ATOM 280 CB PRO A 20 11.981 0.157 0.241 1.00 0.00 C ATOM 281 CG PRO A 20 10.919 0.019 1.399 1.00 0.00 C ATOM 282 CD PRO A 20 9.571 0.224 0.712 1.00 0.00 C ATOM 0 HA PRO A 20 11.579 -0.152 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.903 -0.384 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.257 1.194 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.977 -0.960 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.084 0.763 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.818 -0.456 1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.199 1.237 0.866 1.00 0.00 H new ATOM 290 N ASP A 21 10.604 -2.580 0.119 1.00 0.00 N ATOM 291 CA ASP A 21 10.610 -4.027 0.252 1.00 0.00 C ATOM 292 C ASP A 21 9.804 -4.643 -0.893 1.00 0.00 C ATOM 293 O ASP A 21 8.940 -3.987 -1.472 1.00 0.00 O ATOM 294 CB ASP A 21 9.968 -4.462 1.570 1.00 0.00 C ATOM 295 CG ASP A 21 10.839 -4.259 2.812 1.00 0.00 C ATOM 296 OD1 ASP A 21 11.909 -4.978 2.850 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.511 -3.456 3.698 1.00 0.00 O ATOM 0 H ASP A 21 10.064 -2.089 0.831 1.00 0.00 H new ATOM 0 HA ASP A 21 11.646 -4.363 0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.038 -3.910 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.705 -5.517 1.498 1.00 0.00 H new ATOM 302 N SER A 22 10.116 -5.897 -1.186 1.00 0.00 N ATOM 303 CA SER A 22 9.432 -6.610 -2.251 1.00 0.00 C ATOM 304 C SER A 22 9.949 -6.140 -3.612 1.00 0.00 C ATOM 305 O SER A 22 10.417 -6.946 -4.415 1.00 0.00 O ATOM 306 CB SER A 22 7.917 -6.412 -2.162 1.00 0.00 C ATOM 307 OG SER A 22 7.438 -6.553 -0.827 1.00 0.00 O ATOM 0 H SER A 22 10.834 -6.438 -0.704 1.00 0.00 H new ATOM 0 HA SER A 22 9.640 -7.674 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.658 -5.422 -2.538 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.418 -7.137 -2.805 1.00 0.00 H new ATOM 0 HG SER A 22 6.467 -6.418 -0.812 1.00 0.00 H new ATOM 313 N GLY A 23 9.848 -4.837 -3.830 1.00 0.00 N ATOM 314 CA GLY A 23 10.300 -4.249 -5.080 1.00 0.00 C ATOM 315 C GLY A 23 9.189 -3.421 -5.729 1.00 0.00 C ATOM 316 O GLY A 23 8.408 -3.939 -6.525 1.00 0.00 O ATOM 0 H GLY A 23 9.460 -4.171 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.169 -3.617 -4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.618 -5.037 -5.763 1.00 0.00 H new ATOM 320 N ILE A 24 9.156 -2.147 -5.366 1.00 0.00 N ATOM 321 CA ILE A 24 8.155 -1.241 -5.903 1.00 0.00 C ATOM 322 C ILE A 24 8.830 0.064 -6.330 1.00 0.00 C ATOM 323 O ILE A 24 9.786 0.508 -5.696 1.00 0.00 O ATOM 324 CB ILE A 24 7.016 -1.045 -4.900 1.00 0.00 C ATOM 325 CG1 ILE A 24 6.611 -2.376 -4.263 1.00 0.00 C ATOM 326 CG2 ILE A 24 5.827 -0.337 -5.551 1.00 0.00 C ATOM 327 CD1 ILE A 24 5.907 -3.278 -5.278 1.00 0.00 C ATOM 0 H ILE A 24 9.807 -1.721 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 24 7.694 -1.668 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 24 7.375 -0.400 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.495 -2.881 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.951 -2.192 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.032 -0.211 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.141 0.640 -5.917 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.459 -0.935 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.630 -4.217 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.010 -2.780 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.579 -3.480 -6.112 1.00 0.00 H new ATOM 339 N LYS A 25 8.306 0.641 -7.401 1.00 0.00 N ATOM 340 CA LYS A 25 8.847 1.886 -7.920 1.00 0.00 C ATOM 341 C LYS A 25 8.022 3.057 -7.383 1.00 0.00 C ATOM 342 O LYS A 25 6.831 2.943 -7.104 1.00 0.00 O ATOM 343 CB LYS A 25 8.927 1.840 -9.447 1.00 0.00 C ATOM 344 CG LYS A 25 10.323 1.418 -9.910 1.00 0.00 C ATOM 345 CD LYS A 25 10.246 0.236 -10.878 1.00 0.00 C ATOM 346 CE LYS A 25 11.645 -0.256 -11.255 1.00 0.00 C ATOM 347 NZ LYS A 25 11.573 -1.197 -12.395 1.00 0.00 N ATOM 0 H LYS A 25 7.513 0.270 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 25 9.871 2.030 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.185 1.141 -9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.685 2.820 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.818 2.259 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.930 1.146 -9.046 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.682 -0.577 -10.421 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.706 0.532 -11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.278 0.593 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.107 -0.747 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.531 -1.521 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.986 -2.015 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.151 -0.717 -13.215 1.00 0.00 H new ATOM 358 N PRO A 26 8.694 4.203 -7.243 1.00 0.00 N ATOM 359 CA PRO A 26 8.113 5.435 -6.754 1.00 0.00 C ATOM 360 C PRO A 26 6.959 5.848 -7.656 1.00 0.00 C ATOM 361 O PRO A 26 7.196 6.143 -8.826 1.00 0.00 O ATOM 362 CB PRO A 26 9.248 6.454 -6.816 1.00 0.00 C ATOM 363 CG PRO A 26 10.257 5.863 -7.849 1.00 0.00 C ATOM 364 CD PRO A 26 10.095 4.372 -7.561 1.00 0.00 C ATOM 0 HA PRO A 26 7.711 5.344 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.885 7.432 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.714 6.587 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.998 6.119 -8.876 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.276 6.211 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.379 3.770 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.729 4.059 -6.731 1.00 0.00 H new ATOM 372 N GLY A 27 5.752 5.860 -7.109 1.00 0.00 N ATOM 373 CA GLY A 27 4.583 6.238 -7.884 1.00 0.00 C ATOM 374 C GLY A 27 3.843 5.001 -8.398 1.00 0.00 C ATOM 375 O GLY A 27 3.710 4.810 -9.606 1.00 0.00 O ATOM 0 H GLY A 27 5.559 5.614 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.912 6.838 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.886 6.861 -8.726 1.00 0.00 H new ATOM 379 N THR A 28 3.380 4.194 -7.455 1.00 0.00 N ATOM 380 CA THR A 28 2.657 2.981 -7.798 1.00 0.00 C ATOM 381 C THR A 28 1.273 2.982 -7.143 1.00 0.00 C ATOM 382 O THR A 28 1.145 3.280 -5.957 1.00 0.00 O ATOM 383 CB THR A 28 3.520 1.785 -7.392 1.00 0.00 C ATOM 384 OG1 THR A 28 4.746 1.989 -8.089 1.00 0.00 O ATOM 385 CG2 THR A 28 2.989 0.463 -7.949 1.00 0.00 C ATOM 0 H THR A 28 3.491 4.356 -6.454 1.00 0.00 H new ATOM 0 HA THR A 28 2.475 2.919 -8.871 1.00 0.00 H new ATOM 0 HB THR A 28 3.569 1.726 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.488 2.002 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.638 -0.353 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.980 0.290 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.970 0.508 -9.038 1.00 0.00 H new ATOM 393 N LYS A 29 0.274 2.646 -7.945 1.00 0.00 N ATOM 394 CA LYS A 29 -1.094 2.604 -7.459 1.00 0.00 C ATOM 395 C LYS A 29 -1.289 1.350 -6.604 1.00 0.00 C ATOM 396 O LYS A 29 -0.471 0.433 -6.646 1.00 0.00 O ATOM 397 CB LYS A 29 -2.080 2.713 -8.624 1.00 0.00 C ATOM 398 CG LYS A 29 -2.534 4.161 -8.825 1.00 0.00 C ATOM 399 CD LYS A 29 -1.432 4.994 -9.482 1.00 0.00 C ATOM 400 CE LYS A 29 -2.027 6.142 -10.300 1.00 0.00 C ATOM 401 NZ LYS A 29 -1.228 6.376 -11.524 1.00 0.00 N ATOM 0 H LYS A 29 0.385 2.400 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.297 3.462 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.612 2.345 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.946 2.080 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.430 4.182 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.802 4.599 -7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.768 5.394 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.826 4.358 -10.128 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.057 5.908 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.054 7.050 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.646 7.158 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.252 6.620 -11.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.224 5.514 -12.106 1.00 0.00 H new ATOM 412 N PHE A 30 -2.377 1.352 -5.848 1.00 0.00 N ATOM 413 CA PHE A 30 -2.690 0.227 -4.984 1.00 0.00 C ATOM 414 C PHE A 30 -3.428 -0.869 -5.756 1.00 0.00 C ATOM 415 O PHE A 30 -3.797 -1.894 -5.186 1.00 0.00 O ATOM 416 CB PHE A 30 -3.601 0.754 -3.874 1.00 0.00 C ATOM 417 CG PHE A 30 -3.897 -0.267 -2.774 1.00 0.00 C ATOM 418 CD1 PHE A 30 -3.035 -0.414 -1.733 1.00 0.00 C ATOM 419 CD2 PHE A 30 -5.023 -1.028 -2.837 1.00 0.00 C ATOM 420 CE1 PHE A 30 -3.309 -1.362 -0.712 1.00 0.00 C ATOM 421 CE2 PHE A 30 -5.297 -1.976 -1.816 1.00 0.00 C ATOM 422 CZ PHE A 30 -4.435 -2.123 -0.775 1.00 0.00 C ATOM 0 H PHE A 30 -3.053 2.115 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.771 -0.202 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.138 1.633 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.543 1.080 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.141 0.191 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.708 -0.911 -3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.624 -1.479 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.191 -2.581 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.644 -2.844 0.002 1.00 0.00 H new ATOM 432 N GLU A 31 -3.622 -0.614 -7.042 1.00 0.00 N ATOM 433 CA GLU A 31 -4.309 -1.566 -7.898 1.00 0.00 C ATOM 434 C GLU A 31 -3.320 -2.223 -8.863 1.00 0.00 C ATOM 435 O GLU A 31 -3.675 -3.155 -9.583 1.00 0.00 O ATOM 436 CB GLU A 31 -5.452 -0.892 -8.660 1.00 0.00 C ATOM 437 CG GLU A 31 -6.783 -1.078 -7.929 1.00 0.00 C ATOM 438 CD GLU A 31 -7.385 -2.453 -8.228 1.00 0.00 C ATOM 439 OE1 GLU A 31 -6.932 -3.463 -7.670 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.359 -2.449 -9.074 1.00 0.00 O ATOM 0 H GLU A 31 -3.315 0.238 -7.512 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.743 -2.343 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.241 0.171 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.522 -1.312 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.631 -0.969 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.481 -0.298 -8.232 1.00 0.00 H new ATOM 447 N ASP A 32 -2.098 -1.711 -8.847 1.00 0.00 N ATOM 448 CA ASP A 32 -1.055 -2.237 -9.711 1.00 0.00 C ATOM 449 C ASP A 32 -0.077 -3.066 -8.877 1.00 0.00 C ATOM 450 O ASP A 32 0.910 -3.582 -9.400 1.00 0.00 O ATOM 451 CB ASP A 32 -0.268 -1.105 -10.375 1.00 0.00 C ATOM 452 CG ASP A 32 -1.063 -0.266 -11.377 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.293 -0.146 -11.276 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.359 0.287 -12.306 1.00 0.00 O ATOM 0 H ASP A 32 -1.807 -0.937 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.530 -2.847 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.117 -0.446 -9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.594 -1.533 -10.886 1.00 0.00 H new ATOM 459 N LEU A 33 -0.385 -3.170 -7.592 1.00 0.00 N ATOM 460 CA LEU A 33 0.455 -3.928 -6.680 1.00 0.00 C ATOM 461 C LEU A 33 0.635 -5.348 -7.221 1.00 0.00 C ATOM 462 O LEU A 33 -0.250 -5.925 -7.848 1.00 0.00 O ATOM 463 CB LEU A 33 -0.115 -3.879 -5.261 1.00 0.00 C ATOM 464 CG LEU A 33 0.064 -2.556 -4.512 1.00 0.00 C ATOM 465 CD1 LEU A 33 -0.848 -2.494 -3.285 1.00 0.00 C ATOM 466 CD2 LEU A 33 1.532 -2.327 -4.148 1.00 0.00 C ATOM 0 H LEU A 33 -1.204 -2.742 -7.161 1.00 0.00 H new ATOM 0 HA LEU A 33 1.447 -3.482 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.180 -4.104 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.352 -4.671 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.233 -1.744 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.702 -1.544 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.888 -2.580 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.605 -3.314 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.632 -1.380 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.880 -3.140 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.132 -2.298 -5.057 1.00 0.00 H new ATOM 478 N PRO A 34 1.820 -5.905 -6.960 1.00 0.00 N ATOM 479 CA PRO A 34 2.205 -7.237 -7.375 1.00 0.00 C ATOM 480 C PRO A 34 0.985 -8.147 -7.362 1.00 0.00 C ATOM 481 O PRO A 34 0.525 -8.540 -8.433 1.00 0.00 O ATOM 482 CB PRO A 34 3.235 -7.686 -6.341 1.00 0.00 C ATOM 483 CG PRO A 34 3.974 -6.315 -6.089 1.00 0.00 C ATOM 484 CD PRO A 34 2.884 -5.255 -6.226 1.00 0.00 C ATOM 0 HA PRO A 34 2.613 -7.267 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.774 -8.085 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.903 -8.457 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.431 -6.288 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.773 -6.157 -6.813 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.539 -4.915 -5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.251 -4.377 -6.758 1.00 0.00 H new ATOM 492 N ASP A 35 0.493 -8.463 -6.173 1.00 0.00 N ATOM 493 CA ASP A 35 -0.669 -9.328 -6.050 1.00 0.00 C ATOM 494 C ASP A 35 -0.590 -10.094 -4.728 1.00 0.00 C ATOM 495 O ASP A 35 -1.570 -10.164 -3.988 1.00 0.00 O ATOM 496 CB ASP A 35 -0.718 -10.349 -7.187 1.00 0.00 C ATOM 497 CG ASP A 35 -1.485 -11.634 -6.870 1.00 0.00 C ATOM 498 OD1 ASP A 35 -1.144 -12.366 -5.929 1.00 0.00 O ATOM 499 OD2 ASP A 35 -2.487 -11.877 -7.645 1.00 0.00 O ATOM 0 H ASP A 35 0.877 -8.136 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.561 -8.703 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.173 -9.878 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.303 -10.612 -7.463 1.00 0.00 H new ATOM 504 N ASP A 36 0.585 -10.651 -4.473 1.00 0.00 N ATOM 505 CA ASP A 36 0.803 -11.410 -3.254 1.00 0.00 C ATOM 506 C ASP A 36 1.349 -10.480 -2.169 1.00 0.00 C ATOM 507 O ASP A 36 1.982 -10.934 -1.217 1.00 0.00 O ATOM 508 CB ASP A 36 1.825 -12.527 -3.476 1.00 0.00 C ATOM 509 CG ASP A 36 1.239 -13.939 -3.531 1.00 0.00 C ATOM 510 OD1 ASP A 36 1.133 -14.530 -2.389 1.00 0.00 O ATOM 511 OD2 ASP A 36 0.900 -14.449 -4.609 1.00 0.00 O ATOM 0 H ASP A 36 1.395 -10.592 -5.090 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.150 -11.846 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.355 -12.334 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.564 -12.487 -2.675 1.00 0.00 H new ATOM 516 N TRP A 37 1.086 -9.194 -2.350 1.00 0.00 N ATOM 517 CA TRP A 37 1.543 -8.195 -1.399 1.00 0.00 C ATOM 518 C TRP A 37 0.603 -8.227 -0.192 1.00 0.00 C ATOM 519 O TRP A 37 -0.600 -8.434 -0.343 1.00 0.00 O ATOM 520 CB TRP A 37 1.629 -6.814 -2.053 1.00 0.00 C ATOM 521 CG TRP A 37 2.267 -5.744 -1.165 1.00 0.00 C ATOM 522 CD1 TRP A 37 3.553 -5.374 -1.113 1.00 0.00 C ATOM 523 CD2 TRP A 37 1.589 -4.915 -0.196 1.00 0.00 C ATOM 524 NE1 TRP A 37 3.754 -4.371 -0.186 1.00 0.00 N ATOM 525 CE2 TRP A 37 2.522 -4.084 0.389 1.00 0.00 C ATOM 526 CE3 TRP A 37 0.234 -4.870 0.173 1.00 0.00 C ATOM 527 CZ2 TRP A 37 2.200 -3.146 1.378 1.00 0.00 C ATOM 528 CZ3 TRP A 37 -0.072 -3.928 1.162 1.00 0.00 C ATOM 529 CH2 TRP A 37 0.855 -3.083 1.761 1.00 0.00 C ATOM 0 H TRP A 37 0.562 -8.821 -3.142 1.00 0.00 H new ATOM 0 HA TRP A 37 2.554 -8.420 -1.059 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.203 -6.895 -2.976 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.625 -6.491 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.335 -5.806 -1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.643 -3.923 0.036 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.512 -5.512 -0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.949 -2.506 1.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.101 -3.852 1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.539 -2.381 2.518 1.00 0.00 H new ATOM 540 N ALA A 38 1.188 -8.018 0.979 1.00 0.00 N ATOM 541 CA ALA A 38 0.418 -8.020 2.211 1.00 0.00 C ATOM 542 C ALA A 38 1.084 -7.088 3.225 1.00 0.00 C ATOM 543 O ALA A 38 2.296 -6.884 3.184 1.00 0.00 O ATOM 544 CB ALA A 38 0.292 -9.453 2.731 1.00 0.00 C ATOM 0 H ALA A 38 2.186 -7.846 1.100 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.591 -7.647 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.286 -9.455 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.213 -10.067 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.285 -9.859 2.923 1.00 0.00 H new ATOM 550 N CYS A 39 0.262 -6.546 4.111 1.00 0.00 N ATOM 551 CA CYS A 39 0.756 -5.640 5.134 1.00 0.00 C ATOM 552 C CYS A 39 2.037 -6.234 5.723 1.00 0.00 C ATOM 553 O CYS A 39 2.015 -7.140 6.552 1.00 0.00 O ATOM 554 CB CYS A 39 -0.298 -5.374 6.211 1.00 0.00 C ATOM 555 SG CYS A 39 0.205 -4.171 7.496 1.00 0.00 S ATOM 0 H CYS A 39 -0.743 -6.717 4.142 1.00 0.00 H new ATOM 0 HA CYS A 39 0.978 -4.670 4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.206 -5.011 5.729 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.549 -6.318 6.695 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.099 -2.968 7.107 1.00 0.00 H new ATOM 560 N PRO A 40 3.170 -5.693 5.270 1.00 0.00 N ATOM 561 CA PRO A 40 4.494 -6.099 5.691 1.00 0.00 C ATOM 562 C PRO A 40 4.709 -5.706 7.145 1.00 0.00 C ATOM 563 O PRO A 40 5.756 -6.035 7.701 1.00 0.00 O ATOM 564 CB PRO A 40 5.448 -5.339 4.771 1.00 0.00 C ATOM 565 CG PRO A 40 4.609 -4.762 3.648 1.00 0.00 C ATOM 566 CD PRO A 40 3.233 -4.625 4.295 1.00 0.00 C ATOM 0 HA PRO A 40 4.649 -7.176 5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.961 -4.547 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.216 -6.004 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.994 -3.801 3.307 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.585 -5.421 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.115 -3.650 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.438 -4.718 3.555 1.00 0.00 H new ATOM 574 N VAL A 41 3.735 -5.021 7.726 1.00 0.00 N ATOM 575 CA VAL A 41 3.842 -4.596 9.112 1.00 0.00 C ATOM 576 C VAL A 41 3.326 -5.710 10.024 1.00 0.00 C ATOM 577 O VAL A 41 4.097 -6.317 10.766 1.00 0.00 O ATOM 578 CB VAL A 41 3.104 -3.270 9.311 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.264 -2.765 10.746 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.580 -2.222 8.304 1.00 0.00 C ATOM 0 H VAL A 41 2.868 -4.750 7.262 1.00 0.00 H new ATOM 0 HA VAL A 41 4.884 -4.416 9.377 1.00 0.00 H new ATOM 0 HB VAL A 41 2.043 -3.446 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.730 -1.822 10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.854 -3.501 11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.321 -2.613 10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.040 -1.289 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.648 -2.050 8.435 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.391 -2.578 7.291 1.00 0.00 H new ATOM 590 N CYS A 42 2.025 -5.946 9.939 1.00 0.00 N ATOM 591 CA CYS A 42 1.397 -6.977 10.748 1.00 0.00 C ATOM 592 C CYS A 42 1.280 -8.247 9.902 1.00 0.00 C ATOM 593 O CYS A 42 1.599 -9.339 10.368 1.00 0.00 O ATOM 594 CB CYS A 42 0.038 -6.524 11.286 1.00 0.00 C ATOM 595 SG CYS A 42 -1.212 -6.152 10.003 1.00 0.00 S ATOM 0 H CYS A 42 1.389 -5.441 9.322 1.00 0.00 H new ATOM 0 HA CYS A 42 2.013 -7.180 11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.355 -7.302 11.941 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.184 -5.635 11.899 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.676 -5.414 9.076 1.00 0.00 H new ATOM 600 N GLY A 43 0.822 -8.061 8.672 1.00 0.00 N ATOM 601 CA GLY A 43 0.660 -9.178 7.757 1.00 0.00 C ATOM 602 C GLY A 43 -0.679 -9.094 7.022 1.00 0.00 C ATOM 603 O GLY A 43 -0.783 -9.500 5.866 1.00 0.00 O ATOM 0 H GLY A 43 0.558 -7.154 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.476 -9.182 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.718 -10.116 8.309 1.00 0.00 H new ATOM 607 N ALA A 44 -1.671 -8.564 7.724 1.00 0.00 N ATOM 608 CA ALA A 44 -2.999 -8.422 7.152 1.00 0.00 C ATOM 609 C ALA A 44 -2.899 -8.449 5.626 1.00 0.00 C ATOM 610 O ALA A 44 -2.108 -7.712 5.039 1.00 0.00 O ATOM 611 CB ALA A 44 -3.643 -7.135 7.671 1.00 0.00 C ATOM 0 H ALA A 44 -1.581 -8.228 8.683 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.638 -9.252 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.639 -7.028 7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.718 -7.178 8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.031 -6.280 7.384 1.00 0.00 H new ATOM 617 N SER A 45 -3.711 -9.307 5.026 1.00 0.00 N ATOM 618 CA SER A 45 -3.724 -9.440 3.580 1.00 0.00 C ATOM 619 C SER A 45 -3.911 -8.067 2.930 1.00 0.00 C ATOM 620 O SER A 45 -3.915 -7.047 3.616 1.00 0.00 O ATOM 621 CB SER A 45 -4.827 -10.397 3.124 1.00 0.00 C ATOM 622 OG SER A 45 -4.303 -11.512 2.407 1.00 0.00 O ATOM 0 H SER A 45 -4.365 -9.917 5.516 1.00 0.00 H new ATOM 0 HA SER A 45 -2.767 -9.857 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.381 -10.752 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.535 -9.860 2.493 1.00 0.00 H new ATOM 0 HG SER A 45 -5.038 -12.100 2.135 1.00 0.00 H new ATOM 628 N LYS A 46 -4.061 -8.087 1.613 1.00 0.00 N ATOM 629 CA LYS A 46 -4.248 -6.857 0.863 1.00 0.00 C ATOM 630 C LYS A 46 -5.745 -6.576 0.716 1.00 0.00 C ATOM 631 O LYS A 46 -6.174 -5.984 -0.273 1.00 0.00 O ATOM 632 CB LYS A 46 -3.500 -6.924 -0.470 1.00 0.00 C ATOM 633 CG LYS A 46 -3.415 -5.541 -1.121 1.00 0.00 C ATOM 634 CD LYS A 46 -2.640 -5.602 -2.439 1.00 0.00 C ATOM 635 CE LYS A 46 -3.580 -5.870 -3.615 1.00 0.00 C ATOM 636 NZ LYS A 46 -3.223 -5.014 -4.769 1.00 0.00 N ATOM 0 H LYS A 46 -4.057 -8.935 1.047 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.817 -6.013 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.496 -7.316 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.008 -7.616 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.419 -5.158 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.927 -4.844 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.111 -4.662 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.886 -6.387 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.523 -6.920 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.610 -5.677 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.040 -4.933 -5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.953 -4.069 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.424 -5.438 -5.282 1.00 0.00 H new ATOM 647 N ASP A 47 -6.497 -7.016 1.714 1.00 0.00 N ATOM 648 CA ASP A 47 -7.937 -6.820 1.707 1.00 0.00 C ATOM 649 C ASP A 47 -8.375 -6.242 3.055 1.00 0.00 C ATOM 650 O ASP A 47 -9.464 -6.545 3.540 1.00 0.00 O ATOM 651 CB ASP A 47 -8.672 -8.145 1.500 1.00 0.00 C ATOM 652 CG ASP A 47 -10.137 -8.013 1.077 1.00 0.00 C ATOM 653 OD1 ASP A 47 -10.449 -7.896 -0.117 1.00 0.00 O ATOM 654 OD2 ASP A 47 -10.988 -8.033 2.046 1.00 0.00 O ATOM 0 H ASP A 47 -6.137 -7.507 2.532 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.181 -6.141 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.142 -8.723 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.627 -8.717 2.427 1.00 0.00 H new ATOM 659 N ALA A 48 -7.503 -5.422 3.622 1.00 0.00 N ATOM 660 CA ALA A 48 -7.786 -4.800 4.905 1.00 0.00 C ATOM 661 C ALA A 48 -7.675 -3.280 4.765 1.00 0.00 C ATOM 662 O ALA A 48 -8.502 -2.542 5.297 1.00 0.00 O ATOM 663 CB ALA A 48 -6.834 -5.358 5.964 1.00 0.00 C ATOM 0 H ALA A 48 -6.600 -5.174 3.217 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.802 -5.029 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.046 -4.892 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.972 -6.436 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.805 -5.144 5.677 1.00 0.00 H new ATOM 669 N PHE A 49 -6.646 -2.857 4.045 1.00 0.00 N ATOM 670 CA PHE A 49 -6.416 -1.439 3.828 1.00 0.00 C ATOM 671 C PHE A 49 -7.652 -0.770 3.222 1.00 0.00 C ATOM 672 O PHE A 49 -8.418 -1.409 2.503 1.00 0.00 O ATOM 673 CB PHE A 49 -5.252 -1.320 2.843 1.00 0.00 C ATOM 674 CG PHE A 49 -3.886 -1.641 3.453 1.00 0.00 C ATOM 675 CD1 PHE A 49 -3.413 -2.916 3.430 1.00 0.00 C ATOM 676 CD2 PHE A 49 -3.144 -0.651 4.019 1.00 0.00 C ATOM 677 CE1 PHE A 49 -2.145 -3.214 3.996 1.00 0.00 C ATOM 678 CE2 PHE A 49 -1.876 -0.949 4.585 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.404 -2.224 4.562 1.00 0.00 C ATOM 0 H PHE A 49 -5.962 -3.472 3.604 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.198 -0.948 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.430 -1.991 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.231 -0.307 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.002 -3.702 2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.519 0.362 4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.769 -4.226 3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.287 -0.163 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.440 -2.451 4.993 1.00 0.00 H new ATOM 689 N GLU A 50 -7.807 0.508 3.536 1.00 0.00 N ATOM 690 CA GLU A 50 -8.936 1.270 3.031 1.00 0.00 C ATOM 691 C GLU A 50 -8.524 2.721 2.773 1.00 0.00 C ATOM 692 O GLU A 50 -8.039 3.402 3.675 1.00 0.00 O ATOM 693 CB GLU A 50 -10.121 1.200 3.997 1.00 0.00 C ATOM 694 CG GLU A 50 -9.693 1.575 5.417 1.00 0.00 C ATOM 695 CD GLU A 50 -10.908 1.910 6.286 1.00 0.00 C ATOM 696 OE1 GLU A 50 -11.967 2.277 5.755 1.00 0.00 O ATOM 697 OE2 GLU A 50 -10.724 1.777 7.555 1.00 0.00 O ATOM 0 H GLU A 50 -7.170 1.035 4.134 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.253 0.829 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.909 1.874 3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.539 0.193 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.139 0.749 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.019 2.431 5.383 1.00 0.00 H new ATOM 704 N LYS A 51 -8.733 3.151 1.537 1.00 0.00 N ATOM 705 CA LYS A 51 -8.389 4.508 1.149 1.00 0.00 C ATOM 706 C LYS A 51 -8.915 5.484 2.203 1.00 0.00 C ATOM 707 O LYS A 51 -10.094 5.833 2.198 1.00 0.00 O ATOM 708 CB LYS A 51 -8.889 4.804 -0.266 1.00 0.00 C ATOM 709 CG LYS A 51 -8.431 6.188 -0.732 1.00 0.00 C ATOM 710 CD LYS A 51 -9.577 6.946 -1.405 1.00 0.00 C ATOM 711 CE LYS A 51 -9.736 6.517 -2.865 1.00 0.00 C ATOM 712 NZ LYS A 51 -9.876 7.702 -3.741 1.00 0.00 N ATOM 0 H LYS A 51 -9.136 2.583 0.792 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.307 4.630 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.517 4.044 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.977 4.750 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.063 6.759 0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.600 6.084 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.506 6.762 -0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.387 8.018 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.872 5.929 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.611 5.875 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.533 7.471 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.877 7.981 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.317 8.488 -3.353 1.00 0.00 H new ATOM 723 N GLN A 52 -8.014 5.898 3.082 1.00 0.00 N ATOM 724 CA GLN A 52 -8.373 6.827 4.141 1.00 0.00 C ATOM 725 C GLN A 52 -9.411 6.197 5.070 1.00 0.00 C ATOM 726 O GLN A 52 -9.221 5.083 5.557 1.00 0.00 O ATOM 727 CB GLN A 52 -8.884 8.147 3.561 1.00 0.00 C ATOM 728 CG GLN A 52 -8.061 9.329 4.078 1.00 0.00 C ATOM 729 CD GLN A 52 -8.541 10.644 3.461 1.00 0.00 C ATOM 730 OE1 GLN A 52 -8.481 10.855 2.260 1.00 0.00 O ATOM 731 NE2 GLN A 52 -9.021 11.513 4.345 1.00 0.00 N ATOM 732 OXT GLN A 52 -10.443 6.863 5.303 1.00 0.00 O ATOM 0 H GLN A 52 -7.036 5.607 3.083 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.479 7.047 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.835 8.113 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.932 8.284 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.139 9.383 5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.008 9.175 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.043 11.273 5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.368 12.420 4.032 1.00 0.00 H new TER 741 GLN A 52