USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 -154:sc= -3.24! (180deg=-4.35!) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0165) USER MOD Single : A 9 ASN : amide:sc= -0.083 X(o=-0.083,f=-0.083) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.797 F(o=-2.2!,f=-0.8) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= -0.746 (180deg=-0.835) USER MOD Single : A 34 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 38 SER OG : rot -80:sc= 1.09 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 17.780 -4.066 -17.854 1.00 0.00 N ATOM 2 CA GLY A -6 18.390 -4.250 -16.550 1.00 0.00 C ATOM 3 C GLY A -6 19.304 -3.101 -16.171 1.00 0.00 C ATOM 4 O GLY A -6 20.196 -2.730 -16.934 1.00 0.00 O ATOM 0 H1 GLY A -6 17.165 -4.877 -18.067 1.00 0.00 H new ATOM 0 H2 GLY A -6 17.214 -3.193 -17.853 1.00 0.00 H new ATOM 0 H3 GLY A -6 18.523 -3.995 -18.578 1.00 0.00 H new ATOM 0 HA2 GLY A -6 17.608 -4.352 -15.797 1.00 0.00 H new ATOM 0 HA3 GLY A -6 18.959 -5.180 -16.546 1.00 0.00 H new ATOM 8 N SER A -5 19.081 -2.536 -14.989 1.00 0.00 N ATOM 9 CA SER A -5 19.888 -1.419 -14.512 1.00 0.00 C ATOM 10 C SER A -5 21.195 -1.914 -13.902 1.00 0.00 C ATOM 11 O SER A -5 21.425 -3.119 -13.793 1.00 0.00 O ATOM 12 CB SER A -5 19.107 -0.602 -13.480 1.00 0.00 C ATOM 13 OG SER A -5 18.157 0.239 -14.108 1.00 0.00 O ATOM 0 H SER A -5 18.349 -2.833 -14.344 1.00 0.00 H new ATOM 0 HA SER A -5 20.124 -0.783 -15.365 1.00 0.00 H new ATOM 0 HB2 SER A -5 18.600 -1.274 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A -5 19.798 0.001 -12.891 1.00 0.00 H new ATOM 0 HG SER A -5 17.670 0.749 -13.427 1.00 0.00 H new ATOM 19 N SER A -4 22.049 -0.976 -13.505 1.00 0.00 N ATOM 20 CA SER A -4 23.336 -1.316 -12.909 1.00 0.00 C ATOM 21 C SER A -4 23.217 -2.560 -12.033 1.00 0.00 C ATOM 22 O SER A -4 23.879 -3.568 -12.274 1.00 0.00 O ATOM 23 CB SER A -4 23.864 -0.143 -12.081 1.00 0.00 C ATOM 24 OG SER A -4 23.963 1.032 -12.866 1.00 0.00 O ATOM 0 H SER A -4 21.873 0.025 -13.585 1.00 0.00 H new ATOM 0 HA SER A -4 24.038 -1.527 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A -4 23.201 0.036 -11.235 1.00 0.00 H new ATOM 0 HB3 SER A -4 24.843 -0.394 -11.672 1.00 0.00 H new ATOM 0 HG SER A -4 24.301 1.767 -12.313 1.00 0.00 H new ATOM 30 N GLY A -3 22.368 -2.479 -11.014 1.00 0.00 N ATOM 31 CA GLY A -3 22.177 -3.603 -10.116 1.00 0.00 C ATOM 32 C GLY A -3 20.744 -4.097 -10.102 1.00 0.00 C ATOM 33 O GLY A -3 19.962 -3.781 -10.999 1.00 0.00 O ATOM 0 H GLY A -3 21.809 -1.655 -10.794 1.00 0.00 H new ATOM 0 HA2 GLY A -3 22.836 -4.418 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A -3 22.467 -3.311 -9.107 1.00 0.00 H new ATOM 37 N SER A -2 20.398 -4.875 -9.081 1.00 0.00 N ATOM 38 CA SER A -2 19.050 -5.418 -8.957 1.00 0.00 C ATOM 39 C SER A -2 18.507 -5.205 -7.547 1.00 0.00 C ATOM 40 O SER A -2 19.029 -5.756 -6.579 1.00 0.00 O ATOM 41 CB SER A -2 19.045 -6.910 -9.297 1.00 0.00 C ATOM 42 OG SER A -2 17.786 -7.312 -9.807 1.00 0.00 O ATOM 0 H SER A -2 21.032 -5.143 -8.328 1.00 0.00 H new ATOM 0 HA SER A -2 18.406 -4.890 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A -2 19.823 -7.122 -10.031 1.00 0.00 H new ATOM 0 HB3 SER A -2 19.282 -7.490 -8.405 1.00 0.00 H new ATOM 0 HG SER A -2 17.809 -8.269 -10.018 1.00 0.00 H new ATOM 48 N SER A -1 17.454 -4.401 -7.442 1.00 0.00 N ATOM 49 CA SER A -1 16.840 -4.110 -6.151 1.00 0.00 C ATOM 50 C SER A -1 15.581 -3.266 -6.325 1.00 0.00 C ATOM 51 O SER A -1 15.429 -2.556 -7.319 1.00 0.00 O ATOM 52 CB SER A -1 17.833 -3.383 -5.243 1.00 0.00 C ATOM 53 OG SER A -1 17.285 -3.172 -3.953 1.00 0.00 O ATOM 0 H SER A -1 17.008 -3.939 -8.235 1.00 0.00 H new ATOM 0 HA SER A -1 16.560 -5.056 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A -1 18.750 -3.967 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A -1 18.103 -2.425 -5.688 1.00 0.00 H new ATOM 0 HG SER A -1 17.940 -2.707 -3.391 1.00 0.00 H new ATOM 59 N GLY A 0 14.680 -3.350 -5.351 1.00 0.00 N ATOM 60 CA GLY A 0 13.446 -2.590 -5.415 1.00 0.00 C ATOM 61 C GLY A 0 12.260 -3.364 -4.875 1.00 0.00 C ATOM 62 O GLY A 0 12.353 -4.567 -4.635 1.00 0.00 O ATOM 0 H GLY A 0 14.783 -3.931 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.562 -1.666 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.251 -2.307 -6.449 1.00 0.00 H new ATOM 66 N MET A 1 11.141 -2.672 -4.683 1.00 0.00 N ATOM 67 CA MET A 1 9.932 -3.303 -4.168 1.00 0.00 C ATOM 68 C MET A 1 9.079 -3.855 -5.306 1.00 0.00 C ATOM 69 O MET A 1 9.018 -3.270 -6.387 1.00 0.00 O ATOM 70 CB MET A 1 9.119 -2.301 -3.345 1.00 0.00 C ATOM 71 CG MET A 1 8.261 -2.950 -2.271 1.00 0.00 C ATOM 72 SD MET A 1 9.242 -3.686 -0.950 1.00 0.00 S ATOM 73 CE MET A 1 7.956 -4.422 0.057 1.00 0.00 C ATOM 0 H MET A 1 11.047 -1.675 -4.876 1.00 0.00 H new ATOM 0 HA MET A 1 10.230 -4.132 -3.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.800 -1.592 -2.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.477 -1.729 -4.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.590 -2.203 -1.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.636 -3.719 -2.726 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.301 -4.501 1.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.063 -3.798 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.720 -5.416 -0.323 1.00 0.00 H new ATOM 83 N ASP A 2 8.424 -4.983 -5.055 1.00 0.00 N ATOM 84 CA ASP A 2 7.574 -5.613 -6.058 1.00 0.00 C ATOM 85 C ASP A 2 6.104 -5.303 -5.798 1.00 0.00 C ATOM 86 O ASP A 2 5.369 -6.132 -5.260 1.00 0.00 O ATOM 87 CB ASP A 2 7.795 -7.126 -6.067 1.00 0.00 C ATOM 88 CG ASP A 2 9.210 -7.502 -6.460 1.00 0.00 C ATOM 89 OD1 ASP A 2 9.665 -7.060 -7.536 1.00 0.00 O ATOM 90 OD2 ASP A 2 9.864 -8.238 -5.691 1.00 0.00 O ATOM 0 H ASP A 2 8.465 -5.480 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 2 7.845 -5.208 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.577 -7.528 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.093 -7.589 -6.761 1.00 0.00 H new ATOM 95 N VAL A 3 5.680 -4.103 -6.181 1.00 0.00 N ATOM 96 CA VAL A 3 4.297 -3.682 -5.989 1.00 0.00 C ATOM 97 C VAL A 3 3.325 -4.742 -6.495 1.00 0.00 C ATOM 98 O VAL A 3 2.330 -5.050 -5.840 1.00 0.00 O ATOM 99 CB VAL A 3 4.010 -2.352 -6.709 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.278 -2.482 -8.200 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.578 -1.907 -6.453 1.00 0.00 C ATOM 0 H VAL A 3 6.275 -3.404 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 3 4.154 -3.544 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 3 4.680 -1.591 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.069 -1.532 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.322 -2.752 -8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.635 -3.256 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.392 -0.965 -6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.889 -2.666 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.425 -1.770 -5.382 1.00 0.00 H new ATOM 111 N ARG A 4 3.622 -5.298 -7.666 1.00 0.00 N ATOM 112 CA ARG A 4 2.774 -6.323 -8.262 1.00 0.00 C ATOM 113 C ARG A 4 2.690 -7.551 -7.359 1.00 0.00 C ATOM 114 O ARG A 4 1.689 -8.267 -7.361 1.00 0.00 O ATOM 115 CB ARG A 4 3.311 -6.723 -9.637 1.00 0.00 C ATOM 116 CG ARG A 4 3.463 -5.554 -10.596 1.00 0.00 C ATOM 117 CD ARG A 4 4.047 -5.997 -11.928 1.00 0.00 C ATOM 118 NE ARG A 4 5.507 -5.963 -11.923 1.00 0.00 N ATOM 119 CZ ARG A 4 6.215 -4.839 -11.906 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.601 -3.664 -11.892 1.00 0.00 N ATOM 121 NH2 ARG A 4 7.541 -4.889 -11.904 1.00 0.00 N ATOM 0 H ARG A 4 4.443 -5.055 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 4 1.772 -5.909 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.279 -7.208 -9.512 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.640 -7.460 -10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.491 -5.089 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.107 -4.797 -10.149 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.709 -7.008 -12.154 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.672 -5.351 -12.721 1.00 0.00 H new ATOM 0 HE ARG A 4 6.010 -6.850 -11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.582 -3.621 -11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.148 -2.803 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.017 -5.791 -11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.084 -4.026 -11.891 1.00 0.00 H new ATOM 135 N ARG A 5 3.748 -7.787 -6.591 1.00 0.00 N ATOM 136 CA ARG A 5 3.795 -8.929 -5.685 1.00 0.00 C ATOM 137 C ARG A 5 3.221 -8.563 -4.319 1.00 0.00 C ATOM 138 O ARG A 5 2.670 -9.412 -3.618 1.00 0.00 O ATOM 139 CB ARG A 5 5.233 -9.425 -5.530 1.00 0.00 C ATOM 140 CG ARG A 5 5.438 -10.332 -4.328 1.00 0.00 C ATOM 141 CD ARG A 5 4.882 -11.725 -4.579 1.00 0.00 C ATOM 142 NE ARG A 5 3.422 -11.736 -4.600 1.00 0.00 N ATOM 143 CZ ARG A 5 2.695 -12.848 -4.586 1.00 0.00 C ATOM 144 NH1 ARG A 5 3.290 -14.033 -4.551 1.00 0.00 N ATOM 145 NH2 ARG A 5 1.370 -12.777 -4.606 1.00 0.00 N ATOM 0 H ARG A 5 4.584 -7.203 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 5 3.188 -9.726 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.522 -9.962 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.898 -8.565 -5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.502 -10.400 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.951 -9.897 -3.455 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.261 -12.101 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.238 -12.403 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 5 2.934 -10.841 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.308 -14.092 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.729 -14.885 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.908 -11.868 -4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.813 -13.632 -4.595 1.00 0.00 H new ATOM 159 N LEU A 6 3.355 -7.295 -3.948 1.00 0.00 N ATOM 160 CA LEU A 6 2.851 -6.816 -2.665 1.00 0.00 C ATOM 161 C LEU A 6 1.348 -7.047 -2.550 1.00 0.00 C ATOM 162 O LEU A 6 0.563 -6.496 -3.322 1.00 0.00 O ATOM 163 CB LEU A 6 3.164 -5.328 -2.495 1.00 0.00 C ATOM 164 CG LEU A 6 4.580 -4.989 -2.027 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.811 -3.487 -2.069 1.00 0.00 C ATOM 166 CD2 LEU A 6 4.821 -5.528 -0.624 1.00 0.00 C ATOM 0 H LEU A 6 3.808 -6.580 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 6 3.348 -7.378 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.989 -4.829 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.456 -4.908 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 6 5.289 -5.464 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.824 -3.265 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.681 -3.127 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.094 -2.990 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.833 -5.278 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.104 -5.082 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.698 -6.611 -0.624 1.00 0.00 H new ATOM 178 N LYS A 7 0.952 -7.864 -1.580 1.00 0.00 N ATOM 179 CA LYS A 7 -0.457 -8.167 -1.361 1.00 0.00 C ATOM 180 C LYS A 7 -1.251 -6.893 -1.093 1.00 0.00 C ATOM 181 O LYS A 7 -0.678 -5.828 -0.864 1.00 0.00 O ATOM 182 CB LYS A 7 -0.615 -9.135 -0.186 1.00 0.00 C ATOM 183 CG LYS A 7 0.167 -10.426 -0.353 1.00 0.00 C ATOM 184 CD LYS A 7 -0.652 -11.485 -1.071 1.00 0.00 C ATOM 185 CE LYS A 7 -0.021 -12.863 -0.939 1.00 0.00 C ATOM 186 NZ LYS A 7 -0.261 -13.457 0.405 1.00 0.00 N ATOM 0 H LYS A 7 1.588 -8.329 -0.932 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.847 -8.635 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.290 -8.639 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.671 -9.373 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.081 -10.229 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.468 -10.799 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.662 -11.505 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.741 -11.224 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.427 -13.523 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.052 -12.790 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.111 -14.428 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.221 -12.886 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.282 -13.473 0.600 1.00 0.00 H new ATOM 200 N VAL A 8 -2.575 -7.009 -1.123 1.00 0.00 N ATOM 201 CA VAL A 8 -3.449 -5.867 -0.881 1.00 0.00 C ATOM 202 C VAL A 8 -3.134 -5.208 0.457 1.00 0.00 C ATOM 203 O VAL A 8 -3.171 -3.984 0.582 1.00 0.00 O ATOM 204 CB VAL A 8 -4.932 -6.281 -0.900 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.270 -6.995 -2.200 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.256 -7.158 0.300 1.00 0.00 C ATOM 0 H VAL A 8 -3.066 -7.883 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.268 -5.154 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.544 -5.381 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.322 -7.280 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.078 -6.329 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.652 -7.888 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.308 -7.441 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.638 -8.055 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.054 -6.607 1.219 1.00 0.00 H new ATOM 216 N ASN A 9 -2.822 -6.028 1.456 1.00 0.00 N ATOM 217 CA ASN A 9 -2.501 -5.524 2.786 1.00 0.00 C ATOM 218 C ASN A 9 -1.243 -4.660 2.751 1.00 0.00 C ATOM 219 O ASN A 9 -1.189 -3.601 3.375 1.00 0.00 O ATOM 220 CB ASN A 9 -2.307 -6.687 3.761 1.00 0.00 C ATOM 221 CG ASN A 9 -3.427 -7.706 3.676 1.00 0.00 C ATOM 222 OD1 ASN A 9 -4.590 -7.388 3.925 1.00 0.00 O ATOM 223 ND2 ASN A 9 -3.081 -8.938 3.322 1.00 0.00 N ATOM 0 H ASN A 9 -2.785 -7.044 1.369 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.334 -4.909 3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.356 -7.178 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.249 -6.299 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.792 -9.666 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.104 -9.157 3.125 1.00 0.00 H new ATOM 230 N GLU A 10 -0.235 -5.121 2.017 1.00 0.00 N ATOM 231 CA GLU A 10 1.021 -4.390 1.902 1.00 0.00 C ATOM 232 C GLU A 10 0.809 -3.050 1.205 1.00 0.00 C ATOM 233 O GLU A 10 1.342 -2.024 1.631 1.00 0.00 O ATOM 234 CB GLU A 10 2.050 -5.220 1.132 1.00 0.00 C ATOM 235 CG GLU A 10 2.506 -6.466 1.873 1.00 0.00 C ATOM 236 CD GLU A 10 3.334 -6.143 3.102 1.00 0.00 C ATOM 237 OE1 GLU A 10 2.743 -5.736 4.124 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.571 -6.297 3.041 1.00 0.00 O ATOM 0 H GLU A 10 -0.264 -5.996 1.494 1.00 0.00 H new ATOM 0 HA GLU A 10 1.395 -4.201 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.623 -5.514 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.918 -4.597 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.633 -7.048 2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.091 -7.091 1.199 1.00 0.00 H new ATOM 245 N LEU A 11 0.027 -3.065 0.131 1.00 0.00 N ATOM 246 CA LEU A 11 -0.257 -1.851 -0.627 1.00 0.00 C ATOM 247 C LEU A 11 -1.102 -0.882 0.194 1.00 0.00 C ATOM 248 O LEU A 11 -0.881 0.329 0.164 1.00 0.00 O ATOM 249 CB LEU A 11 -0.979 -2.197 -1.930 1.00 0.00 C ATOM 250 CG LEU A 11 -0.323 -3.274 -2.795 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.284 -3.753 -3.871 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.961 -2.747 -3.421 1.00 0.00 C ATOM 0 H LEU A 11 -0.422 -3.905 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 11 0.692 -1.368 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.991 -2.521 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.070 -1.288 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.072 -4.122 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.800 -4.519 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.176 -4.170 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.567 -2.914 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.414 -3.527 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.734 -1.882 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.656 -2.454 -2.634 1.00 0.00 H new ATOM 264 N ARG A 12 -2.069 -1.423 0.928 1.00 0.00 N ATOM 265 CA ARG A 12 -2.946 -0.607 1.758 1.00 0.00 C ATOM 266 C ARG A 12 -2.140 0.200 2.771 1.00 0.00 C ATOM 267 O ARG A 12 -2.399 1.385 2.982 1.00 0.00 O ATOM 268 CB ARG A 12 -3.962 -1.490 2.485 1.00 0.00 C ATOM 269 CG ARG A 12 -5.206 -0.741 2.937 1.00 0.00 C ATOM 270 CD ARG A 12 -6.424 -1.651 2.964 1.00 0.00 C ATOM 271 NE ARG A 12 -7.484 -1.121 3.818 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.562 -1.814 4.168 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.720 -3.059 3.741 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.483 -1.262 4.948 1.00 0.00 N ATOM 0 H ARG A 12 -2.265 -2.423 0.964 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.478 0.087 1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.259 -2.306 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.483 -1.940 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.040 -0.324 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.391 0.097 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.804 -1.778 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.131 -2.639 3.320 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.391 -0.166 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.013 -3.487 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.548 -3.589 4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.364 -0.305 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.310 -1.795 5.216 1.00 0.00 H new ATOM 288 N GLU A 13 -1.163 -0.450 3.396 1.00 0.00 N ATOM 289 CA GLU A 13 -0.321 0.207 4.388 1.00 0.00 C ATOM 290 C GLU A 13 0.470 1.350 3.758 1.00 0.00 C ATOM 291 O GLU A 13 0.547 2.445 4.314 1.00 0.00 O ATOM 292 CB GLU A 13 0.638 -0.801 5.024 1.00 0.00 C ATOM 293 CG GLU A 13 -0.064 -1.888 5.821 1.00 0.00 C ATOM 294 CD GLU A 13 0.863 -3.030 6.191 1.00 0.00 C ATOM 295 OE1 GLU A 13 1.787 -2.805 7.001 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.664 -4.148 5.672 1.00 0.00 O ATOM 0 H GLU A 13 -0.935 -1.431 3.233 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.969 0.619 5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.236 -1.266 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.328 -0.270 5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.482 -1.455 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.900 -2.277 5.240 1.00 0.00 H new ATOM 303 N GLU A 14 1.057 1.085 2.595 1.00 0.00 N ATOM 304 CA GLU A 14 1.844 2.091 1.891 1.00 0.00 C ATOM 305 C GLU A 14 0.961 3.248 1.431 1.00 0.00 C ATOM 306 O GLU A 14 1.312 4.416 1.599 1.00 0.00 O ATOM 307 CB GLU A 14 2.552 1.466 0.687 1.00 0.00 C ATOM 308 CG GLU A 14 3.450 0.295 1.050 1.00 0.00 C ATOM 309 CD GLU A 14 4.683 0.722 1.823 1.00 0.00 C ATOM 310 OE1 GLU A 14 5.541 1.413 1.236 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.789 0.365 3.015 1.00 0.00 O ATOM 0 H GLU A 14 1.003 0.184 2.121 1.00 0.00 H new ATOM 0 HA GLU A 14 2.592 2.479 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.803 1.130 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.149 2.231 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.883 -0.422 1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.757 -0.219 0.139 1.00 0.00 H new ATOM 318 N LEU A 15 -0.185 2.914 0.849 1.00 0.00 N ATOM 319 CA LEU A 15 -1.119 3.924 0.363 1.00 0.00 C ATOM 320 C LEU A 15 -1.671 4.756 1.517 1.00 0.00 C ATOM 321 O LEU A 15 -1.863 5.964 1.386 1.00 0.00 O ATOM 322 CB LEU A 15 -2.269 3.260 -0.397 1.00 0.00 C ATOM 323 CG LEU A 15 -1.896 2.571 -1.710 1.00 0.00 C ATOM 324 CD1 LEU A 15 -2.983 1.592 -2.127 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.656 3.601 -2.804 1.00 0.00 C ATOM 0 H LEU A 15 -0.490 1.952 0.702 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.579 4.587 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.733 2.523 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.023 4.018 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.973 2.013 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.700 1.111 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.107 0.834 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.922 2.128 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.392 3.092 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.562 4.187 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.842 4.263 -2.508 1.00 0.00 H new ATOM 337 N GLN A 16 -1.920 4.100 2.646 1.00 0.00 N ATOM 338 CA GLN A 16 -2.447 4.780 3.823 1.00 0.00 C ATOM 339 C GLN A 16 -1.446 5.800 4.357 1.00 0.00 C ATOM 340 O GLN A 16 -1.817 6.914 4.726 1.00 0.00 O ATOM 341 CB GLN A 16 -2.789 3.764 4.914 1.00 0.00 C ATOM 342 CG GLN A 16 -4.212 3.235 4.828 1.00 0.00 C ATOM 343 CD GLN A 16 -4.510 2.188 5.883 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.156 0.940 5.596 1.00 0.00 O flip ATOM 345 NE2 GLN A 16 -5.052 2.496 6.944 1.00 0.00 N flip ATOM 0 H GLN A 16 -1.765 3.099 2.770 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.355 5.308 3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.094 2.927 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.641 4.227 5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.911 4.064 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.377 2.807 3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.307 3.467 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.246 1.780 7.644 1.00 0.00 H new ATOM 354 N ARG A 17 -0.176 5.410 4.395 1.00 0.00 N ATOM 355 CA ARG A 17 0.878 6.290 4.886 1.00 0.00 C ATOM 356 C ARG A 17 0.959 7.562 4.047 1.00 0.00 C ATOM 357 O ARG A 17 1.063 8.665 4.583 1.00 0.00 O ATOM 358 CB ARG A 17 2.226 5.567 4.865 1.00 0.00 C ATOM 359 CG ARG A 17 3.370 6.394 5.429 1.00 0.00 C ATOM 360 CD ARG A 17 4.712 5.938 4.877 1.00 0.00 C ATOM 361 NE ARG A 17 5.822 6.344 5.734 1.00 0.00 N ATOM 362 CZ ARG A 17 7.091 6.038 5.487 1.00 0.00 C ATOM 363 NH1 ARG A 17 7.408 5.326 4.414 1.00 0.00 N ATOM 364 NH2 ARG A 17 8.046 6.443 6.314 1.00 0.00 N ATOM 0 H ARG A 17 0.148 4.491 4.092 1.00 0.00 H new ATOM 0 HA ARG A 17 0.637 6.566 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.142 4.642 5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.463 5.287 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.214 7.445 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.376 6.315 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.712 4.853 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.854 6.353 3.879 1.00 0.00 H new ATOM 0 HE ARG A 17 5.612 6.893 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.677 5.012 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.383 5.092 4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.806 6.990 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.020 6.207 6.123 1.00 0.00 H new ATOM 378 N ARG A 18 0.911 7.399 2.729 1.00 0.00 N ATOM 379 CA ARG A 18 0.980 8.534 1.816 1.00 0.00 C ATOM 380 C ARG A 18 -0.327 9.320 1.826 1.00 0.00 C ATOM 381 O ARG A 18 -0.346 10.517 1.542 1.00 0.00 O ATOM 382 CB ARG A 18 1.289 8.055 0.396 1.00 0.00 C ATOM 383 CG ARG A 18 2.763 7.774 0.156 1.00 0.00 C ATOM 384 CD ARG A 18 3.051 7.528 -1.317 1.00 0.00 C ATOM 385 NE ARG A 18 4.410 7.916 -1.682 1.00 0.00 N ATOM 386 CZ ARG A 18 4.866 9.161 -1.599 1.00 0.00 C ATOM 387 NH1 ARG A 18 4.075 10.133 -1.166 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.116 9.436 -1.949 1.00 0.00 N ATOM 0 H ARG A 18 0.825 6.492 2.269 1.00 0.00 H new ATOM 0 HA ARG A 18 1.781 9.191 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.718 7.149 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.951 8.809 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.357 8.617 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.068 6.904 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.902 6.472 -1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.339 8.088 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 18 5.044 7.192 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.114 9.926 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.428 11.088 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.728 8.691 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.465 10.392 -1.885 1.00 0.00 H new ATOM 402 N GLY A 19 -1.420 8.638 2.154 1.00 0.00 N ATOM 403 CA GLY A 19 -2.717 9.288 2.194 1.00 0.00 C ATOM 404 C GLY A 19 -3.494 9.112 0.904 1.00 0.00 C ATOM 405 O GLY A 19 -4.377 9.911 0.588 1.00 0.00 O ATOM 0 H GLY A 19 -1.430 7.646 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.298 8.882 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.581 10.352 2.390 1.00 0.00 H new ATOM 409 N LEU A 20 -3.165 8.065 0.156 1.00 0.00 N ATOM 410 CA LEU A 20 -3.838 7.786 -1.108 1.00 0.00 C ATOM 411 C LEU A 20 -4.993 6.811 -0.907 1.00 0.00 C ATOM 412 O LEU A 20 -4.938 5.937 -0.043 1.00 0.00 O ATOM 413 CB LEU A 20 -2.844 7.216 -2.122 1.00 0.00 C ATOM 414 CG LEU A 20 -1.679 8.128 -2.507 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.610 7.344 -3.252 1.00 0.00 C ATOM 416 CD2 LEU A 20 -2.172 9.295 -3.350 1.00 0.00 C ATOM 0 H LEU A 20 -2.436 7.395 0.403 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.242 8.723 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.436 6.289 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.390 6.956 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.237 8.526 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.211 8.010 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.236 6.543 -2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.038 6.916 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.330 9.934 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.640 8.916 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.901 9.873 -2.781 1.00 0.00 H new ATOM 428 N ASP A 21 -6.038 6.966 -1.713 1.00 0.00 N ATOM 429 CA ASP A 21 -7.206 6.097 -1.626 1.00 0.00 C ATOM 430 C ASP A 21 -6.788 4.635 -1.509 1.00 0.00 C ATOM 431 O ASP A 21 -5.887 4.177 -2.212 1.00 0.00 O ATOM 432 CB ASP A 21 -8.102 6.288 -2.851 1.00 0.00 C ATOM 433 CG ASP A 21 -9.524 5.823 -2.606 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.713 4.628 -2.296 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.449 6.654 -2.725 1.00 0.00 O ATOM 0 H ASP A 21 -6.100 7.685 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.765 6.369 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.110 7.341 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.683 5.738 -3.693 1.00 0.00 H new ATOM 440 N THR A 22 -7.448 3.906 -0.614 1.00 0.00 N ATOM 441 CA THR A 22 -7.144 2.496 -0.403 1.00 0.00 C ATOM 442 C THR A 22 -8.301 1.611 -0.852 1.00 0.00 C ATOM 443 O THR A 22 -8.534 0.544 -0.284 1.00 0.00 O ATOM 444 CB THR A 22 -6.834 2.205 1.078 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.912 2.660 1.903 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.541 2.884 1.504 1.00 0.00 C ATOM 0 H THR A 22 -8.196 4.269 -0.024 1.00 0.00 H new ATOM 0 HA THR A 22 -6.263 2.269 -1.003 1.00 0.00 H new ATOM 0 HB THR A 22 -6.716 1.128 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.708 2.470 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.343 2.664 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.717 2.513 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.635 3.962 1.371 1.00 0.00 H new ATOM 454 N ARG A 23 -9.021 2.060 -1.875 1.00 0.00 N ATOM 455 CA ARG A 23 -10.154 1.307 -2.400 1.00 0.00 C ATOM 456 C ARG A 23 -9.828 0.719 -3.769 1.00 0.00 C ATOM 457 O ARG A 23 -8.894 1.157 -4.438 1.00 0.00 O ATOM 458 CB ARG A 23 -11.388 2.206 -2.499 1.00 0.00 C ATOM 459 CG ARG A 23 -11.763 2.874 -1.186 1.00 0.00 C ATOM 460 CD ARG A 23 -12.549 4.154 -1.417 1.00 0.00 C ATOM 461 NE ARG A 23 -13.889 3.888 -1.935 1.00 0.00 N ATOM 462 CZ ARG A 23 -14.809 4.829 -2.112 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.536 6.092 -1.815 1.00 0.00 N ATOM 464 NH2 ARG A 23 -16.006 4.508 -2.587 1.00 0.00 N ATOM 0 H ARG A 23 -8.840 2.941 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.364 0.487 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.207 2.976 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.232 1.612 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.355 2.186 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.859 3.098 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.626 4.706 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.009 4.790 -2.119 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.131 2.926 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.617 6.343 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.245 6.813 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.220 3.538 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.712 5.232 -2.722 1.00 0.00 H new ATOM 478 N GLY A 24 -10.606 -0.278 -4.180 1.00 0.00 N ATOM 479 CA GLY A 24 -10.384 -0.911 -5.467 1.00 0.00 C ATOM 480 C GLY A 24 -9.751 -2.283 -5.337 1.00 0.00 C ATOM 481 O GLY A 24 -9.281 -2.658 -4.262 1.00 0.00 O ATOM 0 H GLY A 24 -11.386 -0.659 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.334 -1.001 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.742 -0.274 -6.076 1.00 0.00 H new ATOM 485 N LEU A 25 -9.741 -3.033 -6.433 1.00 0.00 N ATOM 486 CA LEU A 25 -9.162 -4.373 -6.437 1.00 0.00 C ATOM 487 C LEU A 25 -7.665 -4.320 -6.151 1.00 0.00 C ATOM 488 O LEU A 25 -7.056 -3.250 -6.163 1.00 0.00 O ATOM 489 CB LEU A 25 -9.412 -5.053 -7.784 1.00 0.00 C ATOM 490 CG LEU A 25 -10.858 -5.457 -8.074 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.101 -5.534 -9.573 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.183 -6.788 -7.411 1.00 0.00 C ATOM 0 H LEU A 25 -10.127 -2.737 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.643 -4.953 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.078 -4.381 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.789 -5.945 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.518 -4.695 -7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.135 -5.823 -9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.909 -4.560 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.433 -6.274 -10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.216 -7.060 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.516 -7.559 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.050 -6.699 -6.333 1.00 0.00 H new ATOM 504 N LYS A 26 -7.076 -5.483 -5.895 1.00 0.00 N ATOM 505 CA LYS A 26 -5.649 -5.572 -5.609 1.00 0.00 C ATOM 506 C LYS A 26 -4.834 -4.852 -6.678 1.00 0.00 C ATOM 507 O LYS A 26 -4.009 -3.992 -6.370 1.00 0.00 O ATOM 508 CB LYS A 26 -5.215 -7.037 -5.522 1.00 0.00 C ATOM 509 CG LYS A 26 -3.730 -7.217 -5.260 1.00 0.00 C ATOM 510 CD LYS A 26 -3.208 -8.506 -5.874 1.00 0.00 C ATOM 511 CE LYS A 26 -1.901 -8.940 -5.228 1.00 0.00 C ATOM 512 NZ LYS A 26 -2.130 -9.831 -4.057 1.00 0.00 N ATOM 0 H LYS A 26 -7.565 -6.378 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.466 -5.088 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.778 -7.527 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.475 -7.540 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.182 -6.369 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.547 -7.225 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.952 -9.294 -5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.057 -8.366 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.287 -9.458 -5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.343 -8.059 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.220 -10.213 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.575 -9.288 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.755 -10.615 -4.334 1.00 0.00 H new ATOM 526 N ALA A 27 -5.071 -5.208 -7.937 1.00 0.00 N ATOM 527 CA ALA A 27 -4.362 -4.593 -9.051 1.00 0.00 C ATOM 528 C ALA A 27 -4.490 -3.074 -9.013 1.00 0.00 C ATOM 529 O ALA A 27 -3.517 -2.355 -9.237 1.00 0.00 O ATOM 530 CB ALA A 27 -4.885 -5.135 -10.373 1.00 0.00 C ATOM 0 H ALA A 27 -5.749 -5.919 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.305 -4.845 -8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.346 -4.667 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.736 -6.214 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.948 -4.913 -10.462 1.00 0.00 H new ATOM 536 N GLU A 28 -5.696 -2.594 -8.728 1.00 0.00 N ATOM 537 CA GLU A 28 -5.950 -1.159 -8.662 1.00 0.00 C ATOM 538 C GLU A 28 -5.064 -0.497 -7.610 1.00 0.00 C ATOM 539 O GLU A 28 -4.493 0.568 -7.845 1.00 0.00 O ATOM 540 CB GLU A 28 -7.423 -0.894 -8.344 1.00 0.00 C ATOM 541 CG GLU A 28 -8.358 -1.176 -9.508 1.00 0.00 C ATOM 542 CD GLU A 28 -9.802 -1.331 -9.072 1.00 0.00 C ATOM 543 OE1 GLU A 28 -10.242 -0.563 -8.192 1.00 0.00 O ATOM 544 OE2 GLU A 28 -10.491 -2.221 -9.613 1.00 0.00 O ATOM 0 H GLU A 28 -6.512 -3.176 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.712 -0.729 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.719 -1.509 -7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.539 0.146 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.286 -0.364 -10.232 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.036 -2.085 -10.016 1.00 0.00 H new ATOM 551 N LEU A 29 -4.955 -1.136 -6.451 1.00 0.00 N ATOM 552 CA LEU A 29 -4.139 -0.611 -5.361 1.00 0.00 C ATOM 553 C LEU A 29 -2.666 -0.568 -5.756 1.00 0.00 C ATOM 554 O LEU A 29 -1.958 0.389 -5.445 1.00 0.00 O ATOM 555 CB LEU A 29 -4.317 -1.466 -4.106 1.00 0.00 C ATOM 556 CG LEU A 29 -5.693 -1.402 -3.440 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.753 -2.344 -2.248 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.013 0.023 -3.013 1.00 0.00 C ATOM 0 H LEU A 29 -5.421 -2.019 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.470 0.406 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.109 -2.504 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.567 -1.163 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.442 -1.719 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.739 -2.285 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.569 -3.365 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.994 -2.058 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.995 0.050 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.260 0.368 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.013 0.674 -3.888 1.00 0.00 H new ATOM 570 N ALA A 30 -2.213 -1.610 -6.445 1.00 0.00 N ATOM 571 CA ALA A 30 -0.826 -1.689 -6.886 1.00 0.00 C ATOM 572 C ALA A 30 -0.478 -0.532 -7.816 1.00 0.00 C ATOM 573 O ALA A 30 0.553 0.119 -7.653 1.00 0.00 O ATOM 574 CB ALA A 30 -0.567 -3.020 -7.576 1.00 0.00 C ATOM 0 H ALA A 30 -2.786 -2.411 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.186 -1.618 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.473 -3.065 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.766 -3.835 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.222 -3.114 -8.442 1.00 0.00 H new ATOM 580 N GLU A 31 -1.346 -0.282 -8.792 1.00 0.00 N ATOM 581 CA GLU A 31 -1.128 0.796 -9.749 1.00 0.00 C ATOM 582 C GLU A 31 -1.094 2.150 -9.045 1.00 0.00 C ATOM 583 O GLU A 31 -0.271 3.007 -9.365 1.00 0.00 O ATOM 584 CB GLU A 31 -2.226 0.791 -10.814 1.00 0.00 C ATOM 585 CG GLU A 31 -2.255 -0.475 -11.653 1.00 0.00 C ATOM 586 CD GLU A 31 -0.952 -0.716 -12.391 1.00 0.00 C ATOM 587 OE1 GLU A 31 -0.264 0.274 -12.717 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.621 -1.893 -12.643 1.00 0.00 O ATOM 0 H GLU A 31 -2.205 -0.811 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.164 0.631 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.193 0.916 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.087 1.649 -11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.467 -1.328 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.070 -0.410 -12.374 1.00 0.00 H new ATOM 595 N ARG A 32 -1.993 2.334 -8.084 1.00 0.00 N ATOM 596 CA ARG A 32 -2.068 3.582 -7.336 1.00 0.00 C ATOM 597 C ARG A 32 -0.742 3.879 -6.640 1.00 0.00 C ATOM 598 O ARG A 32 -0.175 4.961 -6.798 1.00 0.00 O ATOM 599 CB ARG A 32 -3.194 3.517 -6.302 1.00 0.00 C ATOM 600 CG ARG A 32 -3.544 4.866 -5.697 1.00 0.00 C ATOM 601 CD ARG A 32 -4.718 4.757 -4.735 1.00 0.00 C ATOM 602 NE ARG A 32 -5.490 5.995 -4.672 1.00 0.00 N ATOM 603 CZ ARG A 32 -6.132 6.514 -5.712 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.095 5.906 -6.890 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.814 7.644 -5.576 1.00 0.00 N ATOM 0 H ARG A 32 -2.680 1.634 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.278 4.386 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.083 3.097 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.903 2.835 -5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.677 5.266 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.788 5.571 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.368 3.940 -5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.349 4.508 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.539 6.488 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.572 5.037 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.589 6.307 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.846 8.115 -4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.307 8.042 -6.376 1.00 0.00 H new ATOM 619 N LEU A 33 -0.254 2.912 -5.871 1.00 0.00 N ATOM 620 CA LEU A 33 1.005 3.069 -5.151 1.00 0.00 C ATOM 621 C LEU A 33 2.163 3.285 -6.119 1.00 0.00 C ATOM 622 O LEU A 33 2.994 4.171 -5.920 1.00 0.00 O ATOM 623 CB LEU A 33 1.274 1.840 -4.281 1.00 0.00 C ATOM 624 CG LEU A 33 2.616 1.817 -3.549 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.728 3.002 -2.603 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.788 0.509 -2.791 1.00 0.00 C ATOM 0 H LEU A 33 -0.711 2.011 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 33 0.922 3.948 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.478 1.762 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.211 0.953 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 33 3.413 1.892 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.690 2.969 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.651 3.929 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.924 2.958 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.749 0.510 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.985 0.403 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.753 -0.325 -3.492 1.00 0.00 H new ATOM 638 N GLN A 34 2.210 2.471 -7.169 1.00 0.00 N ATOM 639 CA GLN A 34 3.265 2.574 -8.169 1.00 0.00 C ATOM 640 C GLN A 34 3.247 3.943 -8.841 1.00 0.00 C ATOM 641 O GLN A 34 4.294 4.543 -9.078 1.00 0.00 O ATOM 642 CB GLN A 34 3.110 1.474 -9.221 1.00 0.00 C ATOM 643 CG GLN A 34 4.401 1.148 -9.955 1.00 0.00 C ATOM 644 CD GLN A 34 5.533 0.789 -9.013 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.307 0.466 -7.846 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.761 0.845 -9.515 1.00 0.00 N ATOM 0 H GLN A 34 1.529 1.733 -7.349 1.00 0.00 H new ATOM 0 HA GLN A 34 4.223 2.450 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.738 0.570 -8.738 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.357 1.780 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.226 0.318 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.696 2.004 -10.562 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.902 1.118 -10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.563 0.615 -8.928 1.00 0.00 H new ATOM 655 N ALA A 35 2.048 4.430 -9.146 1.00 0.00 N ATOM 656 CA ALA A 35 1.893 5.729 -9.789 1.00 0.00 C ATOM 657 C ALA A 35 2.486 6.841 -8.931 1.00 0.00 C ATOM 658 O ALA A 35 3.131 7.756 -9.442 1.00 0.00 O ATOM 659 CB ALA A 35 0.424 6.005 -10.072 1.00 0.00 C ATOM 0 H ALA A 35 1.171 3.945 -8.958 1.00 0.00 H new ATOM 0 HA ALA A 35 2.436 5.706 -10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.323 6.978 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.029 5.232 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.134 6.003 -9.135 1.00 0.00 H new ATOM 665 N ALA A 36 2.263 6.757 -7.623 1.00 0.00 N ATOM 666 CA ALA A 36 2.777 7.755 -6.694 1.00 0.00 C ATOM 667 C ALA A 36 4.286 7.621 -6.523 1.00 0.00 C ATOM 668 O ALA A 36 5.008 8.619 -6.479 1.00 0.00 O ATOM 669 CB ALA A 36 2.078 7.633 -5.348 1.00 0.00 C ATOM 0 H ALA A 36 1.729 6.007 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 36 2.572 8.742 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.472 8.385 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.007 7.787 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.254 6.639 -4.936 1.00 0.00 H new ATOM 675 N LEU A 37 4.758 6.383 -6.428 1.00 0.00 N ATOM 676 CA LEU A 37 6.183 6.118 -6.261 1.00 0.00 C ATOM 677 C LEU A 37 6.965 6.548 -7.498 1.00 0.00 C ATOM 678 O LEU A 37 8.036 7.145 -7.390 1.00 0.00 O ATOM 679 CB LEU A 37 6.417 4.631 -5.987 1.00 0.00 C ATOM 680 CG LEU A 37 5.997 4.129 -4.605 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.967 2.609 -4.576 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.935 4.667 -3.534 1.00 0.00 C ATOM 0 H LEU A 37 4.175 5.547 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 37 6.538 6.698 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.879 4.054 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.478 4.420 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 37 4.992 4.496 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.666 2.270 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.254 2.245 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.959 2.221 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.621 4.299 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.952 4.331 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.905 5.757 -3.538 1.00 0.00 H new ATOM 694 N SER A 38 6.421 6.243 -8.671 1.00 0.00 N ATOM 695 CA SER A 38 7.069 6.596 -9.929 1.00 0.00 C ATOM 696 C SER A 38 7.083 8.109 -10.126 1.00 0.00 C ATOM 697 O SER A 38 8.145 8.725 -10.209 1.00 0.00 O ATOM 698 CB SER A 38 6.353 5.924 -11.102 1.00 0.00 C ATOM 699 OG SER A 38 4.969 6.229 -11.097 1.00 0.00 O ATOM 0 H SER A 38 5.533 5.752 -8.777 1.00 0.00 H new ATOM 0 HA SER A 38 8.099 6.242 -9.891 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.798 6.254 -12.041 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.491 4.844 -11.046 1.00 0.00 H new ATOM 0 HG SER A 38 4.510 5.653 -10.450 1.00 0.00 H new ATOM 705 N GLY A 39 5.895 8.701 -10.201 1.00 0.00 N ATOM 706 CA GLY A 39 5.793 10.137 -10.388 1.00 0.00 C ATOM 707 C GLY A 39 4.732 10.762 -9.504 1.00 0.00 C ATOM 708 O GLY A 39 3.597 10.988 -9.924 1.00 0.00 O ATOM 0 H GLY A 39 5.002 8.213 -10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.757 10.598 -10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.563 10.349 -11.432 1.00 0.00 H new ATOM 712 N PRO A 40 5.099 11.051 -8.246 1.00 0.00 N ATOM 713 CA PRO A 40 4.184 11.656 -7.274 1.00 0.00 C ATOM 714 C PRO A 40 3.853 13.106 -7.614 1.00 0.00 C ATOM 715 O PRO A 40 3.028 13.735 -6.953 1.00 0.00 O ATOM 716 CB PRO A 40 4.964 11.581 -5.959 1.00 0.00 C ATOM 717 CG PRO A 40 6.396 11.548 -6.368 1.00 0.00 C ATOM 718 CD PRO A 40 6.435 10.808 -7.677 1.00 0.00 C ATOM 0 HA PRO A 40 3.222 11.144 -7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.753 12.442 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.695 10.692 -5.389 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.794 12.557 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.005 11.045 -5.617 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.224 11.185 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.623 9.744 -7.532 1.00 0.00 H new ATOM 726 N SER A 41 4.502 13.629 -8.650 1.00 0.00 N ATOM 727 CA SER A 41 4.279 15.005 -9.076 1.00 0.00 C ATOM 728 C SER A 41 3.111 15.089 -10.053 1.00 0.00 C ATOM 729 O SER A 41 2.497 14.077 -10.391 1.00 0.00 O ATOM 730 CB SER A 41 5.543 15.572 -9.724 1.00 0.00 C ATOM 731 OG SER A 41 5.903 14.828 -10.875 1.00 0.00 O ATOM 0 H SER A 41 5.186 13.120 -9.209 1.00 0.00 H new ATOM 0 HA SER A 41 4.035 15.597 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.379 16.614 -9.997 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.363 15.556 -9.006 1.00 0.00 H new ATOM 0 HG SER A 41 6.713 15.211 -11.272 1.00 0.00 H new ATOM 737 N SER A 42 2.810 16.303 -10.503 1.00 0.00 N ATOM 738 CA SER A 42 1.713 16.521 -11.439 1.00 0.00 C ATOM 739 C SER A 42 2.169 16.282 -12.876 1.00 0.00 C ATOM 740 O SER A 42 1.537 15.537 -13.624 1.00 0.00 O ATOM 741 CB SER A 42 1.166 17.942 -11.295 1.00 0.00 C ATOM 742 OG SER A 42 0.038 18.142 -12.128 1.00 0.00 O ATOM 0 H SER A 42 3.310 17.150 -10.235 1.00 0.00 H new ATOM 0 HA SER A 42 0.921 15.809 -11.204 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.892 18.126 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.943 18.662 -11.551 1.00 0.00 H new ATOM 0 HG SER A 42 -0.293 19.057 -12.016 1.00 0.00 H new ATOM 748 N GLY A 43 3.272 16.921 -13.254 1.00 0.00 N ATOM 749 CA GLY A 43 3.794 16.767 -14.599 1.00 0.00 C ATOM 750 C GLY A 43 2.704 16.796 -15.652 1.00 0.00 C ATOM 751 O GLY A 43 2.918 17.280 -16.763 1.00 0.00 O ATOM 0 H GLY A 43 3.813 17.542 -12.653 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.510 17.563 -14.800 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.337 15.824 -14.669 1.00 0.00 H new TER 755 GLY A 43