USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=9 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 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD Single : A -1 SER OG : rot 35:sc= 0.181 USER MOD Single : A -2 SER OG : rot 30:sc= 0.153 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.775 F(o=-1.4!,f=-0.78) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 18:sc= 1.01 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 28.205 -10.637 -1.467 1.00 0.00 N ATOM 2 CA GLY A -6 27.883 -10.357 -2.854 1.00 0.00 C ATOM 3 C GLY A -6 26.432 -9.961 -3.044 1.00 0.00 C ATOM 4 O GLY A -6 25.685 -10.636 -3.753 1.00 0.00 O ATOM 0 H1 GLY A -6 29.208 -10.903 -1.390 1.00 0.00 H new ATOM 0 H2 GLY A -6 28.026 -9.790 -0.891 1.00 0.00 H new ATOM 0 H3 GLY A -6 27.612 -11.420 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A -6 28.526 -9.556 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A -6 28.098 -11.238 -3.459 1.00 0.00 H new ATOM 8 N SER A -5 26.032 -8.864 -2.409 1.00 0.00 N ATOM 9 CA SER A -5 24.659 -8.382 -2.508 1.00 0.00 C ATOM 10 C SER A -5 24.484 -7.487 -3.731 1.00 0.00 C ATOM 11 O SER A -5 25.294 -6.594 -3.981 1.00 0.00 O ATOM 12 CB SER A -5 24.274 -7.615 -1.241 1.00 0.00 C ATOM 13 OG SER A -5 24.542 -8.382 -0.080 1.00 0.00 O ATOM 0 H SER A -5 26.639 -8.292 -1.821 1.00 0.00 H new ATOM 0 HA SER A -5 24.003 -9.246 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A -5 24.828 -6.677 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A -5 23.215 -7.358 -1.275 1.00 0.00 H new ATOM 0 HG SER A -5 24.289 -7.870 0.716 1.00 0.00 H new ATOM 19 N SER A -4 23.421 -7.733 -4.489 1.00 0.00 N ATOM 20 CA SER A -4 23.140 -6.952 -5.689 1.00 0.00 C ATOM 21 C SER A -4 22.014 -5.955 -5.437 1.00 0.00 C ATOM 22 O SER A -4 20.865 -6.340 -5.223 1.00 0.00 O ATOM 23 CB SER A -4 22.768 -7.877 -6.849 1.00 0.00 C ATOM 24 OG SER A -4 23.878 -8.662 -7.252 1.00 0.00 O ATOM 0 H SER A -4 22.740 -8.467 -4.294 1.00 0.00 H new ATOM 0 HA SER A -4 24.041 -6.397 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A -4 21.947 -8.529 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A -4 22.413 -7.284 -7.692 1.00 0.00 H new ATOM 0 HG SER A -4 23.614 -9.246 -7.993 1.00 0.00 H new ATOM 30 N GLY A -3 22.352 -4.670 -5.464 1.00 0.00 N ATOM 31 CA GLY A -3 21.359 -3.636 -5.237 1.00 0.00 C ATOM 32 C GLY A -3 21.137 -2.767 -6.459 1.00 0.00 C ATOM 33 O GLY A -3 22.089 -2.257 -7.048 1.00 0.00 O ATOM 0 H GLY A -3 23.296 -4.326 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A -3 20.416 -4.100 -4.948 1.00 0.00 H new ATOM 0 HA3 GLY A -3 21.675 -3.010 -4.402 1.00 0.00 H new ATOM 37 N SER A -2 19.875 -2.600 -6.843 1.00 0.00 N ATOM 38 CA SER A -2 19.531 -1.792 -8.006 1.00 0.00 C ATOM 39 C SER A -2 18.144 -1.176 -7.848 1.00 0.00 C ATOM 40 O SER A -2 17.180 -1.866 -7.517 1.00 0.00 O ATOM 41 CB SER A -2 19.582 -2.642 -9.277 1.00 0.00 C ATOM 42 OG SER A -2 18.514 -3.573 -9.312 1.00 0.00 O ATOM 0 H SER A -2 19.074 -3.014 -6.365 1.00 0.00 H new ATOM 0 HA SER A -2 20.261 -0.986 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A -2 19.533 -1.995 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A -2 20.533 -3.173 -9.325 1.00 0.00 H new ATOM 0 HG SER A -2 17.742 -3.204 -8.834 1.00 0.00 H new ATOM 48 N SER A -1 18.052 0.128 -8.089 1.00 0.00 N ATOM 49 CA SER A -1 16.785 0.840 -7.970 1.00 0.00 C ATOM 50 C SER A -1 15.676 0.104 -8.716 1.00 0.00 C ATOM 51 O SER A -1 15.820 -0.230 -9.891 1.00 0.00 O ATOM 52 CB SER A -1 16.922 2.264 -8.513 1.00 0.00 C ATOM 53 OG SER A -1 17.407 2.257 -9.844 1.00 0.00 O ATOM 0 H SER A -1 18.840 0.713 -8.368 1.00 0.00 H new ATOM 0 HA SER A -1 16.521 0.886 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A -1 15.954 2.765 -8.478 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.600 2.835 -7.878 1.00 0.00 H new ATOM 0 HG SER A -1 17.044 1.481 -10.320 1.00 0.00 H new ATOM 59 N GLY A 0 14.569 -0.145 -8.023 1.00 0.00 N ATOM 60 CA GLY A 0 13.452 -0.840 -8.635 1.00 0.00 C ATOM 61 C GLY A 0 12.678 -1.682 -7.640 1.00 0.00 C ATOM 62 O GLY A 0 13.102 -2.781 -7.285 1.00 0.00 O ATOM 0 H GLY A 0 14.426 0.122 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 0 12.780 -0.112 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.821 -1.479 -9.437 1.00 0.00 H new ATOM 66 N MET A 1 11.540 -1.165 -7.189 1.00 0.00 N ATOM 67 CA MET A 1 10.705 -1.878 -6.228 1.00 0.00 C ATOM 68 C MET A 1 9.599 -2.652 -6.938 1.00 0.00 C ATOM 69 O MET A 1 8.913 -2.116 -7.808 1.00 0.00 O ATOM 70 CB MET A 1 10.094 -0.897 -5.225 1.00 0.00 C ATOM 71 CG MET A 1 9.683 -1.547 -3.914 1.00 0.00 C ATOM 72 SD MET A 1 8.186 -2.539 -4.070 1.00 0.00 S ATOM 73 CE MET A 1 8.537 -3.866 -2.919 1.00 0.00 C ATOM 0 H MET A 1 11.175 -0.256 -7.473 1.00 0.00 H new ATOM 0 HA MET A 1 11.335 -2.588 -5.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.814 -0.105 -5.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.221 -0.425 -5.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.496 -2.178 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.525 -0.773 -3.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.700 -4.565 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.441 -4.389 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.684 -3.453 -1.921 1.00 0.00 H new ATOM 83 N ASP A 2 9.433 -3.915 -6.562 1.00 0.00 N ATOM 84 CA ASP A 2 8.409 -4.763 -7.162 1.00 0.00 C ATOM 85 C ASP A 2 7.126 -4.733 -6.337 1.00 0.00 C ATOM 86 O ASP A 2 6.925 -5.566 -5.454 1.00 0.00 O ATOM 87 CB ASP A 2 8.917 -6.201 -7.287 1.00 0.00 C ATOM 88 CG ASP A 2 9.845 -6.588 -6.153 1.00 0.00 C ATOM 89 OD1 ASP A 2 9.504 -6.303 -4.986 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.911 -7.175 -6.432 1.00 0.00 O ATOM 0 H ASP A 2 9.994 -4.374 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 2 8.188 -4.376 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.067 -6.883 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.440 -6.317 -8.236 1.00 0.00 H new ATOM 95 N VAL A 3 6.262 -3.767 -6.632 1.00 0.00 N ATOM 96 CA VAL A 3 4.998 -3.629 -5.918 1.00 0.00 C ATOM 97 C VAL A 3 4.092 -4.830 -6.165 1.00 0.00 C ATOM 98 O VAL A 3 3.332 -5.238 -5.287 1.00 0.00 O ATOM 99 CB VAL A 3 4.256 -2.345 -6.334 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.029 -2.324 -7.838 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.937 -2.226 -5.586 1.00 0.00 C ATOM 0 H VAL A 3 6.414 -3.069 -7.360 1.00 0.00 H new ATOM 0 HA VAL A 3 5.239 -3.573 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 3 4.875 -1.487 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.504 -1.410 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.990 -2.359 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.431 -3.188 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.426 -1.313 -5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.310 -3.087 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.129 -2.192 -4.514 1.00 0.00 H new ATOM 111 N ARG A 4 4.179 -5.392 -7.366 1.00 0.00 N ATOM 112 CA ARG A 4 3.367 -6.547 -7.730 1.00 0.00 C ATOM 113 C ARG A 4 3.537 -7.673 -6.715 1.00 0.00 C ATOM 114 O ARG A 4 2.680 -8.548 -6.594 1.00 0.00 O ATOM 115 CB ARG A 4 3.745 -7.043 -9.127 1.00 0.00 C ATOM 116 CG ARG A 4 2.987 -6.347 -10.246 1.00 0.00 C ATOM 117 CD ARG A 4 3.611 -6.634 -11.603 1.00 0.00 C ATOM 118 NE ARG A 4 3.170 -7.916 -12.148 1.00 0.00 N ATOM 119 CZ ARG A 4 3.735 -9.078 -11.841 1.00 0.00 C ATOM 120 NH1 ARG A 4 4.756 -9.120 -10.996 1.00 0.00 N ATOM 121 NH2 ARG A 4 3.277 -10.202 -12.378 1.00 0.00 N ATOM 0 H ARG A 4 4.804 -5.066 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 4 2.322 -6.238 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.814 -6.897 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.559 -8.115 -9.185 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.948 -6.678 -10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.979 -5.272 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.350 -5.836 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.697 -6.634 -11.510 1.00 0.00 H new ATOM 0 HE ARG A 4 2.385 -7.919 -12.800 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.109 -8.258 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.188 -10.014 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.491 -10.174 -13.027 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.711 -11.094 -12.142 1.00 0.00 H new ATOM 135 N ARG A 5 4.650 -7.644 -5.988 1.00 0.00 N ATOM 136 CA ARG A 5 4.933 -8.664 -4.985 1.00 0.00 C ATOM 137 C ARG A 5 4.414 -8.237 -3.615 1.00 0.00 C ATOM 138 O ARG A 5 4.974 -8.611 -2.583 1.00 0.00 O ATOM 139 CB ARG A 5 6.438 -8.932 -4.911 1.00 0.00 C ATOM 140 CG ARG A 5 7.016 -9.513 -6.191 1.00 0.00 C ATOM 141 CD ARG A 5 8.232 -10.382 -5.909 1.00 0.00 C ATOM 142 NE ARG A 5 8.465 -11.359 -6.969 1.00 0.00 N ATOM 143 CZ ARG A 5 9.528 -12.154 -7.015 1.00 0.00 C ATOM 144 NH1 ARG A 5 10.451 -12.088 -6.066 1.00 0.00 N ATOM 145 NH2 ARG A 5 9.669 -13.018 -8.013 1.00 0.00 N ATOM 0 H ARG A 5 5.369 -6.926 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 5 4.421 -9.580 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.954 -8.000 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.636 -9.619 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.255 -10.105 -6.700 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.294 -8.704 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.112 -9.749 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.094 -10.902 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 5 7.774 -11.435 -7.715 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.346 -11.425 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.266 -12.700 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.961 -13.072 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.486 -13.628 -8.048 1.00 0.00 H new ATOM 159 N LEU A 6 3.342 -7.453 -3.613 1.00 0.00 N ATOM 160 CA LEU A 6 2.747 -6.975 -2.370 1.00 0.00 C ATOM 161 C LEU A 6 1.242 -7.221 -2.357 1.00 0.00 C ATOM 162 O LEU A 6 0.502 -6.657 -3.164 1.00 0.00 O ATOM 163 CB LEU A 6 3.033 -5.483 -2.185 1.00 0.00 C ATOM 164 CG LEU A 6 4.502 -5.099 -2.005 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.663 -3.587 -2.016 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.053 -5.687 -0.714 1.00 0.00 C ATOM 0 H LEU A 6 2.867 -7.135 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 6 3.194 -7.530 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.642 -4.948 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.477 -5.132 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 6 5.070 -5.510 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.715 -3.332 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.308 -3.190 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.082 -3.153 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.100 -5.403 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.482 -5.306 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.973 -6.774 -0.746 1.00 0.00 H new ATOM 178 N LYS A 7 0.793 -8.064 -1.433 1.00 0.00 N ATOM 179 CA LYS A 7 -0.624 -8.383 -1.311 1.00 0.00 C ATOM 180 C LYS A 7 -1.449 -7.120 -1.087 1.00 0.00 C ATOM 181 O LYS A 7 -0.901 -6.028 -0.934 1.00 0.00 O ATOM 182 CB LYS A 7 -0.850 -9.364 -0.158 1.00 0.00 C ATOM 183 CG LYS A 7 -0.779 -10.822 -0.577 1.00 0.00 C ATOM 184 CD LYS A 7 -1.683 -11.693 0.279 1.00 0.00 C ATOM 185 CE LYS A 7 -3.126 -11.634 -0.197 1.00 0.00 C ATOM 186 NZ LYS A 7 -3.942 -12.744 0.368 1.00 0.00 N ATOM 0 H LYS A 7 1.391 -8.539 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.948 -8.847 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.104 -9.180 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.826 -9.170 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.068 -10.915 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.249 -11.175 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.331 -12.724 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.628 -11.367 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.564 -10.678 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.152 -11.682 -1.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.919 -12.669 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.539 -13.656 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.939 -12.684 1.406 1.00 0.00 H new ATOM 200 N VAL A 8 -2.769 -7.276 -1.067 1.00 0.00 N ATOM 201 CA VAL A 8 -3.669 -6.148 -0.859 1.00 0.00 C ATOM 202 C VAL A 8 -3.353 -5.426 0.446 1.00 0.00 C ATOM 203 O VAL A 8 -3.322 -4.197 0.496 1.00 0.00 O ATOM 204 CB VAL A 8 -5.141 -6.600 -0.839 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.545 -7.162 -2.193 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.367 -7.625 0.262 1.00 0.00 C ATOM 0 H VAL A 8 -3.239 -8.173 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.518 -5.465 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.768 -5.733 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.588 -7.476 -2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.421 -6.395 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.916 -8.019 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.412 -7.934 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.732 -8.493 0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.119 -7.183 1.227 1.00 0.00 H new ATOM 216 N ASN A 9 -3.117 -6.199 1.501 1.00 0.00 N ATOM 217 CA ASN A 9 -2.803 -5.633 2.808 1.00 0.00 C ATOM 218 C ASN A 9 -1.518 -4.812 2.751 1.00 0.00 C ATOM 219 O ASN A 9 -1.404 -3.775 3.403 1.00 0.00 O ATOM 220 CB ASN A 9 -2.664 -6.746 3.849 1.00 0.00 C ATOM 221 CG ASN A 9 -3.909 -7.607 3.944 1.00 0.00 C ATOM 222 OD1 ASN A 9 -3.854 -8.821 3.741 1.00 0.00 O ATOM 223 ND2 ASN A 9 -5.038 -6.982 4.253 1.00 0.00 N ATOM 0 H ASN A 9 -3.137 -7.219 1.477 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.622 -4.974 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.810 -7.374 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.456 -6.304 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.908 -7.509 4.331 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.036 -5.975 4.413 1.00 0.00 H new ATOM 230 N GLU A 10 -0.555 -5.284 1.966 1.00 0.00 N ATOM 231 CA GLU A 10 0.722 -4.594 1.824 1.00 0.00 C ATOM 232 C GLU A 10 0.544 -3.268 1.090 1.00 0.00 C ATOM 233 O GLU A 10 1.104 -2.245 1.487 1.00 0.00 O ATOM 234 CB GLU A 10 1.723 -5.475 1.074 1.00 0.00 C ATOM 235 CG GLU A 10 2.194 -6.678 1.874 1.00 0.00 C ATOM 236 CD GLU A 10 3.215 -6.310 2.933 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.234 -5.135 3.356 1.00 0.00 O ATOM 238 OE2 GLU A 10 3.994 -7.197 3.340 1.00 0.00 O ATOM 0 H GLU A 10 -0.635 -6.141 1.419 1.00 0.00 H new ATOM 0 HA GLU A 10 1.108 -4.388 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.266 -5.822 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.588 -4.872 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.336 -7.151 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.628 -7.413 1.196 1.00 0.00 H new ATOM 245 N LEU A 11 -0.238 -3.293 0.016 1.00 0.00 N ATOM 246 CA LEU A 11 -0.490 -2.094 -0.775 1.00 0.00 C ATOM 247 C LEU A 11 -1.317 -1.084 0.014 1.00 0.00 C ATOM 248 O LEU A 11 -1.076 0.121 -0.056 1.00 0.00 O ATOM 249 CB LEU A 11 -1.212 -2.459 -2.073 1.00 0.00 C ATOM 250 CG LEU A 11 -0.558 -3.549 -2.923 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.559 -4.130 -3.909 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.657 -2.997 -3.655 1.00 0.00 C ATOM 0 H LEU A 11 -0.708 -4.131 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 11 0.471 -1.639 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.224 -2.779 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.302 -1.558 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.226 -4.349 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.075 -4.904 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.398 -4.563 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.923 -3.340 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.110 -3.786 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.349 -2.178 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.383 -2.631 -2.930 1.00 0.00 H new ATOM 264 N ARG A 12 -2.292 -1.585 0.767 1.00 0.00 N ATOM 265 CA ARG A 12 -3.153 -0.727 1.570 1.00 0.00 C ATOM 266 C ARG A 12 -2.338 0.058 2.594 1.00 0.00 C ATOM 267 O ARG A 12 -2.543 1.257 2.777 1.00 0.00 O ATOM 268 CB ARG A 12 -4.219 -1.562 2.283 1.00 0.00 C ATOM 269 CG ARG A 12 -5.323 -2.055 1.363 1.00 0.00 C ATOM 270 CD ARG A 12 -6.247 -3.030 2.074 1.00 0.00 C ATOM 271 NE ARG A 12 -6.968 -3.885 1.135 1.00 0.00 N ATOM 272 CZ ARG A 12 -7.932 -4.725 1.496 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.289 -4.821 2.769 1.00 0.00 N ATOM 274 NH2 ARG A 12 -8.542 -5.469 0.583 1.00 0.00 N ATOM 0 H ARG A 12 -2.504 -2.580 0.837 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.642 -0.019 0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.741 -2.420 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.662 -0.966 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.900 -1.205 0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.883 -2.539 0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.664 -3.650 2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.962 -2.475 2.681 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.718 -3.835 0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.823 -4.249 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.029 -5.467 3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.271 -5.397 -0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.282 -6.113 0.862 1.00 0.00 H new ATOM 288 N GLU A 13 -1.413 -0.629 3.257 1.00 0.00 N ATOM 289 CA GLU A 13 -0.568 0.004 4.263 1.00 0.00 C ATOM 290 C GLU A 13 0.279 1.113 3.643 1.00 0.00 C ATOM 291 O GLU A 13 0.405 2.199 4.207 1.00 0.00 O ATOM 292 CB GLU A 13 0.339 -1.034 4.926 1.00 0.00 C ATOM 293 CG GLU A 13 -0.400 -1.983 5.855 1.00 0.00 C ATOM 294 CD GLU A 13 -1.243 -1.255 6.883 1.00 0.00 C ATOM 295 OE1 GLU A 13 -0.718 -0.325 7.530 1.00 0.00 O ATOM 296 OE2 GLU A 13 -2.429 -1.615 7.039 1.00 0.00 O ATOM 0 H GLU A 13 -1.230 -1.622 3.116 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.217 0.445 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.840 -1.614 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.116 -0.518 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.040 -2.638 5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.322 -2.619 6.367 1.00 0.00 H new ATOM 303 N GLU A 14 0.856 0.828 2.480 1.00 0.00 N ATOM 304 CA GLU A 14 1.691 1.800 1.785 1.00 0.00 C ATOM 305 C GLU A 14 0.856 2.975 1.283 1.00 0.00 C ATOM 306 O GLU A 14 1.236 4.135 1.444 1.00 0.00 O ATOM 307 CB GLU A 14 2.416 1.137 0.612 1.00 0.00 C ATOM 308 CG GLU A 14 3.277 -0.046 1.019 1.00 0.00 C ATOM 309 CD GLU A 14 3.636 -0.938 -0.154 1.00 0.00 C ATOM 310 OE1 GLU A 14 2.731 -1.620 -0.679 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.821 -0.954 -0.546 1.00 0.00 O ATOM 0 H GLU A 14 0.761 -0.067 2.000 1.00 0.00 H new ATOM 0 HA GLU A 14 2.429 2.178 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.679 0.805 -0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.043 1.879 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.192 0.319 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.748 -0.634 1.769 1.00 0.00 H new ATOM 318 N LEU A 15 -0.283 2.665 0.673 1.00 0.00 N ATOM 319 CA LEU A 15 -1.173 3.694 0.146 1.00 0.00 C ATOM 320 C LEU A 15 -1.763 4.534 1.275 1.00 0.00 C ATOM 321 O LEU A 15 -1.928 5.745 1.137 1.00 0.00 O ATOM 322 CB LEU A 15 -2.297 3.054 -0.670 1.00 0.00 C ATOM 323 CG LEU A 15 -1.898 2.486 -2.033 1.00 0.00 C ATOM 324 CD1 LEU A 15 -2.963 1.529 -2.545 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.664 3.611 -3.031 1.00 0.00 C ATOM 0 H LEU A 15 -0.612 1.710 0.531 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.589 4.348 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.736 2.251 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.077 3.800 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.967 1.931 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.662 1.135 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.082 0.706 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.910 2.059 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.381 3.189 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.579 4.193 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.865 4.258 -2.669 1.00 0.00 H new ATOM 337 N GLN A 16 -2.076 3.881 2.389 1.00 0.00 N ATOM 338 CA GLN A 16 -2.646 4.569 3.542 1.00 0.00 C ATOM 339 C GLN A 16 -1.651 5.564 4.129 1.00 0.00 C ATOM 340 O GLN A 16 -2.006 6.700 4.444 1.00 0.00 O ATOM 341 CB GLN A 16 -3.064 3.557 4.611 1.00 0.00 C ATOM 342 CG GLN A 16 -3.445 4.196 5.937 1.00 0.00 C ATOM 343 CD GLN A 16 -4.448 3.368 6.716 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.076 2.581 7.587 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.727 3.541 6.407 1.00 0.00 N ATOM 0 H GLN A 16 -1.945 2.878 2.518 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.526 5.118 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.909 2.977 4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.245 2.857 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.548 4.335 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.862 5.186 5.753 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.990 4.204 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.447 3.011 6.898 1.00 0.00 H new ATOM 354 N ARG A 17 -0.403 5.130 4.274 1.00 0.00 N ATOM 355 CA ARG A 17 0.644 5.983 4.824 1.00 0.00 C ATOM 356 C ARG A 17 0.996 7.106 3.854 1.00 0.00 C ATOM 357 O ARG A 17 1.490 8.159 4.260 1.00 0.00 O ATOM 358 CB ARG A 17 1.891 5.156 5.139 1.00 0.00 C ATOM 359 CG ARG A 17 2.502 4.487 3.919 1.00 0.00 C ATOM 360 CD ARG A 17 3.808 3.787 4.263 1.00 0.00 C ATOM 361 NE ARG A 17 4.799 4.712 4.805 1.00 0.00 N ATOM 362 CZ ARG A 17 4.860 5.057 6.086 1.00 0.00 C ATOM 363 NH1 ARG A 17 3.992 4.554 6.953 1.00 0.00 N ATOM 364 NH2 ARG A 17 5.792 5.905 6.503 1.00 0.00 N ATOM 0 H ARG A 17 -0.092 4.193 4.018 1.00 0.00 H new ATOM 0 HA ARG A 17 0.269 6.428 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.638 5.802 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.634 4.391 5.872 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.798 3.764 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.681 5.233 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.615 2.997 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.209 3.309 3.369 1.00 0.00 H new ATOM 0 HE ARG A 17 5.482 5.116 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.276 3.901 6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.041 4.820 7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.463 6.293 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.838 6.169 7.487 1.00 0.00 H new ATOM 378 N ARG A 18 0.740 6.875 2.571 1.00 0.00 N ATOM 379 CA ARG A 18 1.032 7.867 1.542 1.00 0.00 C ATOM 380 C ARG A 18 -0.148 8.815 1.351 1.00 0.00 C ATOM 381 O ARG A 18 -0.176 9.606 0.409 1.00 0.00 O ATOM 382 CB ARG A 18 1.365 7.177 0.218 1.00 0.00 C ATOM 383 CG ARG A 18 2.805 6.698 0.127 1.00 0.00 C ATOM 384 CD ARG A 18 3.284 6.647 -1.316 1.00 0.00 C ATOM 385 NE ARG A 18 4.736 6.774 -1.415 1.00 0.00 N ATOM 386 CZ ARG A 18 5.582 5.801 -1.095 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.123 4.636 -0.659 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.889 5.992 -1.213 1.00 0.00 N ATOM 0 H ARG A 18 0.331 6.010 2.218 1.00 0.00 H new ATOM 0 HA ARG A 18 1.894 8.449 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.698 6.325 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.168 7.868 -0.602 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.448 7.364 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.889 5.708 0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.971 5.706 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.810 7.448 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 18 5.121 7.658 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.118 4.485 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.775 3.891 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.245 6.886 -1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.538 5.244 -0.967 1.00 0.00 H new ATOM 402 N GLY A 19 -1.123 8.729 2.251 1.00 0.00 N ATOM 403 CA GLY A 19 -2.292 9.584 2.163 1.00 0.00 C ATOM 404 C GLY A 19 -3.091 9.345 0.897 1.00 0.00 C ATOM 405 O GLY A 19 -3.877 10.197 0.481 1.00 0.00 O ATOM 0 H GLY A 19 -1.124 8.082 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.930 9.412 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.979 10.627 2.200 1.00 0.00 H new ATOM 409 N LEU A 20 -2.889 8.185 0.283 1.00 0.00 N ATOM 410 CA LEU A 20 -3.596 7.837 -0.945 1.00 0.00 C ATOM 411 C LEU A 20 -4.792 6.938 -0.649 1.00 0.00 C ATOM 412 O LEU A 20 -4.773 6.156 0.302 1.00 0.00 O ATOM 413 CB LEU A 20 -2.648 7.139 -1.922 1.00 0.00 C ATOM 414 CG LEU A 20 -1.370 7.899 -2.277 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.446 7.029 -3.114 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.703 9.189 -3.012 1.00 0.00 C ATOM 0 H LEU A 20 -2.242 7.470 0.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.961 8.758 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.367 6.175 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.194 6.936 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.854 8.155 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.458 7.587 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.180 6.134 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.953 6.741 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.781 9.717 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.242 8.956 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.324 9.820 -2.376 1.00 0.00 H new ATOM 428 N ASP A 21 -5.830 7.053 -1.471 1.00 0.00 N ATOM 429 CA ASP A 21 -7.034 6.248 -1.299 1.00 0.00 C ATOM 430 C ASP A 21 -6.684 4.769 -1.170 1.00 0.00 C ATOM 431 O ASP A 21 -5.800 4.265 -1.863 1.00 0.00 O ATOM 432 CB ASP A 21 -7.986 6.459 -2.477 1.00 0.00 C ATOM 433 CG ASP A 21 -9.440 6.292 -2.082 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.833 5.161 -1.729 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.187 7.293 -2.127 1.00 0.00 O ATOM 0 H ASP A 21 -5.862 7.696 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.528 6.567 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.836 7.458 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.743 5.750 -3.268 1.00 0.00 H new ATOM 440 N THR A 22 -7.385 4.076 -0.277 1.00 0.00 N ATOM 441 CA THR A 22 -7.148 2.655 -0.055 1.00 0.00 C ATOM 442 C THR A 22 -8.303 1.815 -0.589 1.00 0.00 C ATOM 443 O THR A 22 -8.612 0.753 -0.048 1.00 0.00 O ATOM 444 CB THR A 22 -6.951 2.345 1.441 1.00 0.00 C ATOM 445 OG1 THR A 22 -8.076 2.818 2.191 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.678 2.992 1.964 1.00 0.00 C ATOM 0 H THR A 22 -8.122 4.476 0.304 1.00 0.00 H new ATOM 0 HA THR A 22 -6.236 2.399 -0.594 1.00 0.00 H new ATOM 0 HB THR A 22 -6.865 1.265 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.944 2.616 3.141 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.560 2.759 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.821 2.609 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.739 4.073 1.835 1.00 0.00 H new ATOM 454 N ARG A 23 -8.937 2.297 -1.653 1.00 0.00 N ATOM 455 CA ARG A 23 -10.059 1.591 -2.259 1.00 0.00 C ATOM 456 C ARG A 23 -9.644 0.942 -3.577 1.00 0.00 C ATOM 457 O ARG A 23 -8.564 1.211 -4.100 1.00 0.00 O ATOM 458 CB ARG A 23 -11.226 2.550 -2.495 1.00 0.00 C ATOM 459 CG ARG A 23 -11.893 3.025 -1.215 1.00 0.00 C ATOM 460 CD ARG A 23 -13.166 3.804 -1.506 1.00 0.00 C ATOM 461 NE ARG A 23 -13.965 4.017 -0.302 1.00 0.00 N ATOM 462 CZ ARG A 23 -15.132 4.651 -0.297 1.00 0.00 C ATOM 463 NH1 ARG A 23 -15.634 5.131 -1.426 1.00 0.00 N ATOM 464 NH2 ARG A 23 -15.800 4.806 0.840 1.00 0.00 N ATOM 0 H ARG A 23 -8.692 3.174 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.377 0.807 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.867 3.416 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.970 2.057 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.126 2.167 -0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.201 3.653 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.909 4.768 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.760 3.265 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.607 3.659 0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.124 5.014 -2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.530 5.617 -1.419 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.417 4.438 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.696 5.293 0.843 1.00 0.00 H new ATOM 478 N GLY A 24 -10.512 0.086 -4.108 1.00 0.00 N ATOM 479 CA GLY A 24 -10.218 -0.588 -5.359 1.00 0.00 C ATOM 480 C GLY A 24 -9.661 -1.983 -5.150 1.00 0.00 C ATOM 481 O GLY A 24 -9.252 -2.336 -4.043 1.00 0.00 O ATOM 0 H GLY A 24 -11.413 -0.153 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.127 -0.649 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.501 0.005 -5.928 1.00 0.00 H new ATOM 485 N LEU A 25 -9.647 -2.778 -6.214 1.00 0.00 N ATOM 486 CA LEU A 25 -9.138 -4.143 -6.142 1.00 0.00 C ATOM 487 C LEU A 25 -7.631 -4.151 -5.904 1.00 0.00 C ATOM 488 O LEU A 25 -6.987 -3.101 -5.899 1.00 0.00 O ATOM 489 CB LEU A 25 -9.466 -4.899 -7.430 1.00 0.00 C ATOM 490 CG LEU A 25 -10.866 -5.506 -7.514 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.164 -5.968 -8.932 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.006 -6.663 -6.535 1.00 0.00 C ATOM 0 H LEU A 25 -9.982 -2.501 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.622 -4.641 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.336 -4.217 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.737 -5.700 -7.553 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.590 -4.737 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.165 -6.397 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.106 -5.118 -9.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.434 -6.721 -9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.009 -7.083 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.272 -7.433 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.837 -6.303 -5.520 1.00 0.00 H new ATOM 504 N LYS A 26 -7.074 -5.341 -5.708 1.00 0.00 N ATOM 505 CA LYS A 26 -5.643 -5.487 -5.472 1.00 0.00 C ATOM 506 C LYS A 26 -4.838 -4.826 -6.587 1.00 0.00 C ATOM 507 O LYS A 26 -3.956 -4.008 -6.327 1.00 0.00 O ATOM 508 CB LYS A 26 -5.271 -6.968 -5.369 1.00 0.00 C ATOM 509 CG LYS A 26 -3.811 -7.206 -5.021 1.00 0.00 C ATOM 510 CD LYS A 26 -3.324 -8.545 -5.547 1.00 0.00 C ATOM 511 CE LYS A 26 -1.828 -8.717 -5.332 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.439 -10.153 -5.264 1.00 0.00 N ATOM 0 H LYS A 26 -7.593 -6.219 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.402 -4.992 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.898 -7.440 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.494 -7.457 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.201 -6.406 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.683 -7.171 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.860 -9.351 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.551 -8.624 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.286 -8.232 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.534 -8.217 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.412 -10.228 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.936 -10.610 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.696 -10.625 -6.154 1.00 0.00 H new ATOM 526 N ALA A 27 -5.148 -5.186 -7.828 1.00 0.00 N ATOM 527 CA ALA A 27 -4.456 -4.626 -8.982 1.00 0.00 C ATOM 528 C ALA A 27 -4.587 -3.107 -9.016 1.00 0.00 C ATOM 529 O ALA A 27 -3.620 -2.398 -9.292 1.00 0.00 O ATOM 530 CB ALA A 27 -4.997 -5.233 -10.268 1.00 0.00 C ATOM 0 H ALA A 27 -5.874 -5.863 -8.060 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.398 -4.872 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.471 -4.805 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.846 -6.312 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.062 -5.017 -10.353 1.00 0.00 H new ATOM 536 N GLU A 28 -5.789 -2.614 -8.733 1.00 0.00 N ATOM 537 CA GLU A 28 -6.045 -1.179 -8.733 1.00 0.00 C ATOM 538 C GLU A 28 -5.160 -0.468 -7.714 1.00 0.00 C ATOM 539 O GLU A 28 -4.536 0.550 -8.019 1.00 0.00 O ATOM 540 CB GLU A 28 -7.518 -0.901 -8.427 1.00 0.00 C ATOM 541 CG GLU A 28 -8.449 -1.199 -9.591 1.00 0.00 C ATOM 542 CD GLU A 28 -8.111 -0.392 -10.829 1.00 0.00 C ATOM 543 OE1 GLU A 28 -8.445 0.811 -10.862 1.00 0.00 O ATOM 544 OE2 GLU A 28 -7.513 -0.963 -11.765 1.00 0.00 O ATOM 0 H GLU A 28 -6.600 -3.187 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.808 -0.794 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.821 -1.500 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.630 0.145 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.398 -2.261 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.476 -0.988 -9.293 1.00 0.00 H new ATOM 551 N LEU A 29 -5.109 -1.011 -6.503 1.00 0.00 N ATOM 552 CA LEU A 29 -4.301 -0.430 -5.437 1.00 0.00 C ATOM 553 C LEU A 29 -2.829 -0.380 -5.835 1.00 0.00 C ATOM 554 O LEU A 29 -2.137 0.603 -5.570 1.00 0.00 O ATOM 555 CB LEU A 29 -4.465 -1.236 -4.147 1.00 0.00 C ATOM 556 CG LEU A 29 -5.845 -1.178 -3.490 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.954 -2.218 -2.386 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.116 0.216 -2.942 1.00 0.00 C ATOM 0 H LEU A 29 -5.618 -1.853 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.648 0.589 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.230 -2.279 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.727 -0.885 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.597 -1.402 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.942 -2.162 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.804 -3.212 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.194 -2.026 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.102 0.239 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.359 0.468 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.081 0.940 -3.756 1.00 0.00 H new ATOM 570 N ALA A 30 -2.358 -1.446 -6.473 1.00 0.00 N ATOM 571 CA ALA A 30 -0.970 -1.522 -6.912 1.00 0.00 C ATOM 572 C ALA A 30 -0.641 -0.399 -7.890 1.00 0.00 C ATOM 573 O ALA A 30 0.403 0.243 -7.782 1.00 0.00 O ATOM 574 CB ALA A 30 -0.691 -2.876 -7.547 1.00 0.00 C ATOM 0 H ALA A 30 -2.917 -2.269 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.331 -1.405 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.349 -2.919 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.877 -3.665 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.345 -3.016 -8.408 1.00 0.00 H new ATOM 580 N GLU A 31 -1.538 -0.168 -8.843 1.00 0.00 N ATOM 581 CA GLU A 31 -1.341 0.877 -9.840 1.00 0.00 C ATOM 582 C GLU A 31 -1.282 2.253 -9.182 1.00 0.00 C ATOM 583 O GLU A 31 -0.467 3.096 -9.556 1.00 0.00 O ATOM 584 CB GLU A 31 -2.466 0.842 -10.877 1.00 0.00 C ATOM 585 CG GLU A 31 -2.564 -0.476 -11.626 1.00 0.00 C ATOM 586 CD GLU A 31 -3.841 -0.595 -12.434 1.00 0.00 C ATOM 587 OE1 GLU A 31 -4.926 -0.352 -11.866 1.00 0.00 O ATOM 588 OE2 GLU A 31 -3.756 -0.930 -13.634 1.00 0.00 O ATOM 0 H GLU A 31 -2.408 -0.690 -8.946 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.390 0.692 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.415 1.038 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.312 1.647 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.707 -0.576 -12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.511 -1.299 -10.913 1.00 0.00 H new ATOM 595 N ARG A 32 -2.153 2.471 -8.202 1.00 0.00 N ATOM 596 CA ARG A 32 -2.202 3.744 -7.493 1.00 0.00 C ATOM 597 C ARG A 32 -0.885 4.016 -6.773 1.00 0.00 C ATOM 598 O ARG A 32 -0.342 5.120 -6.845 1.00 0.00 O ATOM 599 CB ARG A 32 -3.355 3.748 -6.488 1.00 0.00 C ATOM 600 CG ARG A 32 -3.385 4.981 -5.600 1.00 0.00 C ATOM 601 CD ARG A 32 -4.600 4.981 -4.687 1.00 0.00 C ATOM 602 NE ARG A 32 -5.049 6.335 -4.371 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.491 7.193 -5.283 1.00 0.00 C ATOM 604 NH1 ARG A 32 -5.546 6.840 -6.560 1.00 0.00 N ATOM 605 NH2 ARG A 32 -5.882 8.408 -4.918 1.00 0.00 N ATOM 0 H ARG A 32 -2.834 1.783 -7.881 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.365 4.534 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.298 3.678 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.281 2.860 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.477 5.020 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.395 5.877 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.412 4.432 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.359 4.454 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.021 6.638 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.248 5.907 -6.844 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.886 7.502 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.843 8.683 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.221 9.067 -5.619 1.00 0.00 H new ATOM 619 N LEU A 33 -0.375 3.004 -6.080 1.00 0.00 N ATOM 620 CA LEU A 33 0.879 3.134 -5.346 1.00 0.00 C ATOM 621 C LEU A 33 2.042 3.398 -6.297 1.00 0.00 C ATOM 622 O LEU A 33 2.873 4.271 -6.048 1.00 0.00 O ATOM 623 CB LEU A 33 1.149 1.869 -4.531 1.00 0.00 C ATOM 624 CG LEU A 33 2.560 1.727 -3.959 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.845 2.836 -2.958 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.738 0.362 -3.310 1.00 0.00 C ATOM 0 H LEU A 33 -0.810 2.084 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 33 0.788 3.983 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.439 1.835 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.946 1.004 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 33 3.273 1.813 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.854 2.718 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.760 3.803 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.126 2.782 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.748 0.279 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.016 0.246 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.578 -0.418 -4.054 1.00 0.00 H new ATOM 638 N GLN A 34 2.092 2.640 -7.387 1.00 0.00 N ATOM 639 CA GLN A 34 3.152 2.793 -8.376 1.00 0.00 C ATOM 640 C GLN A 34 3.094 4.171 -9.027 1.00 0.00 C ATOM 641 O GLN A 34 4.126 4.787 -9.292 1.00 0.00 O ATOM 642 CB GLN A 34 3.041 1.706 -9.447 1.00 0.00 C ATOM 643 CG GLN A 34 4.293 1.559 -10.297 1.00 0.00 C ATOM 644 CD GLN A 34 5.561 1.520 -9.467 1.00 0.00 C ATOM 645 OE1 GLN A 34 6.054 2.692 -9.083 1.00 0.00 O flip ATOM 646 NE2 GLN A 34 6.092 0.448 -9.173 1.00 0.00 N flip ATOM 0 H GLN A 34 1.411 1.914 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 34 4.109 2.692 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.826 0.753 -8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.195 1.933 -10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.222 0.645 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.349 2.390 -11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.679 -0.429 -9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.945 0.438 -8.613 1.00 0.00 H new ATOM 655 N ALA A 35 1.880 4.649 -9.282 1.00 0.00 N ATOM 656 CA ALA A 35 1.688 5.955 -9.901 1.00 0.00 C ATOM 657 C ALA A 35 2.341 7.056 -9.073 1.00 0.00 C ATOM 658 O ALA A 35 2.950 7.977 -9.617 1.00 0.00 O ATOM 659 CB ALA A 35 0.204 6.239 -10.083 1.00 0.00 C ATOM 0 H ALA A 35 1.015 4.152 -9.070 1.00 0.00 H new ATOM 0 HA ALA A 35 2.167 5.940 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.075 7.217 -10.546 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.237 5.474 -10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.290 6.230 -9.111 1.00 0.00 H new ATOM 665 N ALA A 36 2.210 6.955 -7.754 1.00 0.00 N ATOM 666 CA ALA A 36 2.789 7.942 -6.851 1.00 0.00 C ATOM 667 C ALA A 36 4.309 7.825 -6.812 1.00 0.00 C ATOM 668 O ALA A 36 5.020 8.831 -6.816 1.00 0.00 O ATOM 669 CB ALA A 36 2.210 7.783 -5.453 1.00 0.00 C ATOM 0 H ALA A 36 1.708 6.200 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 36 2.536 8.934 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.652 8.527 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.130 7.924 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.433 6.784 -5.078 1.00 0.00 H new ATOM 675 N LEU A 37 4.802 6.592 -6.772 1.00 0.00 N ATOM 676 CA LEU A 37 6.239 6.344 -6.732 1.00 0.00 C ATOM 677 C LEU A 37 6.914 6.842 -8.005 1.00 0.00 C ATOM 678 O LEU A 37 7.957 7.495 -7.953 1.00 0.00 O ATOM 679 CB LEU A 37 6.513 4.850 -6.546 1.00 0.00 C ATOM 680 CG LEU A 37 6.327 4.304 -5.130 1.00 0.00 C ATOM 681 CD1 LEU A 37 6.215 2.788 -5.153 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.477 4.742 -4.234 1.00 0.00 C ATOM 0 H LEU A 37 4.228 5.749 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 37 6.654 6.892 -5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.857 4.295 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.537 4.647 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 37 5.401 4.710 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.083 2.417 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.358 2.496 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.123 2.362 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.328 4.344 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.417 4.365 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.511 5.831 -4.192 1.00 0.00 H new ATOM 694 N SER A 38 6.312 6.531 -9.149 1.00 0.00 N ATOM 695 CA SER A 38 6.856 6.946 -10.437 1.00 0.00 C ATOM 696 C SER A 38 6.208 8.245 -10.907 1.00 0.00 C ATOM 697 O SER A 38 5.031 8.270 -11.264 1.00 0.00 O ATOM 698 CB SER A 38 6.643 5.849 -11.481 1.00 0.00 C ATOM 699 OG SER A 38 7.197 6.220 -12.732 1.00 0.00 O ATOM 0 H SER A 38 5.447 5.993 -9.210 1.00 0.00 H new ATOM 0 HA SER A 38 7.925 7.118 -10.314 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.102 4.922 -11.137 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.577 5.654 -11.596 1.00 0.00 H new ATOM 0 HG SER A 38 7.049 5.501 -13.381 1.00 0.00 H new ATOM 705 N GLY A 39 6.987 9.322 -10.904 1.00 0.00 N ATOM 706 CA GLY A 39 6.473 10.610 -11.332 1.00 0.00 C ATOM 707 C GLY A 39 7.282 11.769 -10.783 1.00 0.00 C ATOM 708 O GLY A 39 7.834 11.703 -9.685 1.00 0.00 O ATOM 0 H GLY A 39 7.965 9.326 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.474 10.654 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.437 10.709 -11.010 1.00 0.00 H new ATOM 712 N PRO A 40 7.361 12.860 -11.559 1.00 0.00 N ATOM 713 CA PRO A 40 8.107 14.059 -11.165 1.00 0.00 C ATOM 714 C PRO A 40 7.440 14.805 -10.014 1.00 0.00 C ATOM 715 O PRO A 40 6.221 14.973 -9.995 1.00 0.00 O ATOM 716 CB PRO A 40 8.098 14.915 -12.434 1.00 0.00 C ATOM 717 CG PRO A 40 6.887 14.473 -13.181 1.00 0.00 C ATOM 718 CD PRO A 40 6.727 13.009 -12.880 1.00 0.00 C ATOM 0 HA PRO A 40 9.107 13.817 -10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.050 15.977 -12.195 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.003 14.762 -13.021 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.008 15.035 -12.866 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.006 14.641 -14.251 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.677 12.716 -12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.215 12.389 -13.632 1.00 0.00 H new ATOM 726 N SER A 41 8.248 15.250 -9.057 1.00 0.00 N ATOM 727 CA SER A 41 7.735 15.975 -7.901 1.00 0.00 C ATOM 728 C SER A 41 8.848 16.766 -7.219 1.00 0.00 C ATOM 729 O SER A 41 9.788 16.191 -6.672 1.00 0.00 O ATOM 730 CB SER A 41 7.100 15.005 -6.904 1.00 0.00 C ATOM 731 OG SER A 41 5.803 14.618 -7.324 1.00 0.00 O ATOM 0 H SER A 41 9.260 15.121 -9.059 1.00 0.00 H new ATOM 0 HA SER A 41 6.976 16.675 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.730 14.122 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.043 15.474 -5.922 1.00 0.00 H new ATOM 0 HG SER A 41 5.696 14.816 -8.278 1.00 0.00 H new ATOM 737 N SER A 42 8.732 18.090 -7.256 1.00 0.00 N ATOM 738 CA SER A 42 9.729 18.962 -6.646 1.00 0.00 C ATOM 739 C SER A 42 9.064 20.009 -5.757 1.00 0.00 C ATOM 740 O SER A 42 8.335 20.875 -6.238 1.00 0.00 O ATOM 741 CB SER A 42 10.565 19.650 -7.726 1.00 0.00 C ATOM 742 OG SER A 42 11.274 18.702 -8.505 1.00 0.00 O ATOM 0 H SER A 42 7.958 18.582 -7.702 1.00 0.00 H new ATOM 0 HA SER A 42 10.383 18.348 -6.027 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.915 20.242 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.268 20.341 -7.261 1.00 0.00 H new ATOM 0 HG SER A 42 11.799 19.168 -9.189 1.00 0.00 H new ATOM 748 N GLY A 43 9.322 19.921 -4.456 1.00 0.00 N ATOM 749 CA GLY A 43 8.742 20.866 -3.519 1.00 0.00 C ATOM 750 C GLY A 43 9.510 22.171 -3.461 1.00 0.00 C ATOM 751 O GLY A 43 9.410 22.915 -2.486 1.00 0.00 O ATOM 0 H GLY A 43 9.922 19.212 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.710 21.068 -3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.717 20.419 -2.525 1.00 0.00 H new TER 755 GLY A 43