USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=10 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 -145:sc= -0.122 (180deg=-1.49!) USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.212) USER MOD Single : A 9 ASN : amide:sc= -0.334 K(o=-0.33,f=-4.7!) 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 18:sc= 0.857 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 : amide:sc= -0.163 K(o=-0.16,f=-0.93) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -15:sc= 0.265 USER MOD Single : A 42 SER OG : rot 37:sc= 0.764 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 22.702 -4.332 7.060 1.00 0.00 N ATOM 2 CA GLY A -6 23.336 -3.428 6.118 1.00 0.00 C ATOM 3 C GLY A -6 22.434 -3.082 4.950 1.00 0.00 C ATOM 4 O GLY A -6 22.840 -3.184 3.792 1.00 0.00 O ATOM 0 H1 GLY A -6 23.359 -4.538 7.840 1.00 0.00 H new ATOM 0 H2 GLY A -6 21.841 -3.889 7.440 1.00 0.00 H new ATOM 0 H3 GLY A -6 22.451 -5.218 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A -6 23.623 -2.512 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A -6 24.253 -3.883 5.743 1.00 0.00 H new ATOM 8 N SER A -5 21.207 -2.672 5.253 1.00 0.00 N ATOM 9 CA SER A -5 20.243 -2.315 4.219 1.00 0.00 C ATOM 10 C SER A -5 20.840 -1.302 3.246 1.00 0.00 C ATOM 11 O SER A -5 21.171 -0.180 3.627 1.00 0.00 O ATOM 12 CB SER A -5 18.972 -1.744 4.851 1.00 0.00 C ATOM 13 OG SER A -5 17.841 -1.990 4.034 1.00 0.00 O ATOM 0 H SER A -5 20.857 -2.579 6.206 1.00 0.00 H new ATOM 0 HA SER A -5 19.990 -3.219 3.666 1.00 0.00 H new ATOM 0 HB2 SER A -5 18.819 -2.190 5.834 1.00 0.00 H new ATOM 0 HB3 SER A -5 19.088 -0.671 5.003 1.00 0.00 H new ATOM 0 HG SER A -5 17.042 -1.617 4.461 1.00 0.00 H new ATOM 19 N SER A -4 20.973 -1.708 1.987 1.00 0.00 N ATOM 20 CA SER A -4 21.534 -0.839 0.960 1.00 0.00 C ATOM 21 C SER A -4 20.724 -0.930 -0.330 1.00 0.00 C ATOM 22 O SER A -4 20.644 -1.988 -0.953 1.00 0.00 O ATOM 23 CB SER A -4 22.993 -1.211 0.687 1.00 0.00 C ATOM 24 OG SER A -4 23.084 -2.445 -0.002 1.00 0.00 O ATOM 0 H SER A -4 20.700 -2.633 1.654 1.00 0.00 H new ATOM 0 HA SER A -4 21.491 0.187 1.324 1.00 0.00 H new ATOM 0 HB2 SER A -4 23.468 -0.426 0.098 1.00 0.00 H new ATOM 0 HB3 SER A -4 23.537 -1.276 1.629 1.00 0.00 H new ATOM 0 HG SER A -4 22.216 -2.662 -0.401 1.00 0.00 H new ATOM 30 N GLY A -3 20.124 0.189 -0.725 1.00 0.00 N ATOM 31 CA GLY A -3 19.328 0.214 -1.938 1.00 0.00 C ATOM 32 C GLY A -3 18.126 1.132 -1.824 1.00 0.00 C ATOM 33 O GLY A -3 16.985 0.671 -1.806 1.00 0.00 O ATOM 0 H GLY A -3 20.175 1.078 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A -3 19.951 0.538 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A -3 18.989 -0.796 -2.168 1.00 0.00 H new ATOM 37 N SER A -2 18.383 2.433 -1.745 1.00 0.00 N ATOM 38 CA SER A -2 17.313 3.417 -1.626 1.00 0.00 C ATOM 39 C SER A -2 16.161 3.085 -2.570 1.00 0.00 C ATOM 40 O SER A -2 14.993 3.164 -2.192 1.00 0.00 O ATOM 41 CB SER A -2 17.846 4.820 -1.927 1.00 0.00 C ATOM 42 OG SER A -2 16.795 5.770 -1.953 1.00 0.00 O ATOM 0 H SER A -2 19.322 2.831 -1.761 1.00 0.00 H new ATOM 0 HA SER A -2 16.940 3.389 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A -2 18.579 5.104 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A -2 18.363 4.818 -2.887 1.00 0.00 H new ATOM 0 HG SER A -2 17.162 6.658 -2.146 1.00 0.00 H new ATOM 48 N SER A -1 16.501 2.713 -3.800 1.00 0.00 N ATOM 49 CA SER A -1 15.497 2.372 -4.800 1.00 0.00 C ATOM 50 C SER A -1 15.436 0.863 -5.016 1.00 0.00 C ATOM 51 O SER A -1 16.464 0.204 -5.168 1.00 0.00 O ATOM 52 CB SER A -1 15.804 3.076 -6.123 1.00 0.00 C ATOM 53 OG SER A -1 15.626 4.477 -6.008 1.00 0.00 O ATOM 0 H SER A -1 17.464 2.640 -4.128 1.00 0.00 H new ATOM 0 HA SER A -1 14.527 2.709 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.829 2.860 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A -1 15.153 2.686 -6.906 1.00 0.00 H new ATOM 0 HG SER A -1 15.830 4.904 -6.866 1.00 0.00 H new ATOM 59 N GLY A 0 14.221 0.322 -5.029 1.00 0.00 N ATOM 60 CA GLY A 0 14.047 -1.106 -5.227 1.00 0.00 C ATOM 61 C GLY A 0 12.824 -1.645 -4.512 1.00 0.00 C ATOM 62 O GLY A 0 12.927 -2.175 -3.406 1.00 0.00 O ATOM 0 H GLY A 0 13.355 0.846 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.962 -1.314 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 0 14.933 -1.630 -4.870 1.00 0.00 H new ATOM 66 N MET A 1 11.663 -1.508 -5.144 1.00 0.00 N ATOM 67 CA MET A 1 10.415 -1.986 -4.561 1.00 0.00 C ATOM 68 C MET A 1 9.439 -2.422 -5.648 1.00 0.00 C ATOM 69 O MET A 1 9.004 -1.612 -6.467 1.00 0.00 O ATOM 70 CB MET A 1 9.780 -0.894 -3.697 1.00 0.00 C ATOM 71 CG MET A 1 8.461 -1.309 -3.065 1.00 0.00 C ATOM 72 SD MET A 1 8.684 -2.190 -1.508 1.00 0.00 S ATOM 73 CE MET A 1 8.798 -3.881 -2.089 1.00 0.00 C ATOM 0 H MET A 1 11.561 -1.070 -6.059 1.00 0.00 H new ATOM 0 HA MET A 1 10.642 -2.849 -3.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.479 -0.614 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.617 -0.007 -4.309 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.851 -0.423 -2.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.912 -1.943 -3.761 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.332 -4.547 -1.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.285 -3.972 -3.046 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.846 -4.154 -2.212 1.00 0.00 H new ATOM 83 N ASP A 2 9.098 -3.707 -5.651 1.00 0.00 N ATOM 84 CA ASP A 2 8.172 -4.250 -6.637 1.00 0.00 C ATOM 85 C ASP A 2 6.771 -4.385 -6.051 1.00 0.00 C ATOM 86 O ASP A 2 6.531 -5.215 -5.174 1.00 0.00 O ATOM 87 CB ASP A 2 8.664 -5.611 -7.134 1.00 0.00 C ATOM 88 CG ASP A 2 10.134 -5.594 -7.506 1.00 0.00 C ATOM 89 OD1 ASP A 2 10.611 -4.548 -7.993 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.806 -6.628 -7.310 1.00 0.00 O ATOM 0 H ASP A 2 9.450 -4.391 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 2 8.129 -3.558 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.497 -6.360 -6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.076 -5.912 -8.001 1.00 0.00 H new ATOM 95 N VAL A 3 5.848 -3.563 -6.540 1.00 0.00 N ATOM 96 CA VAL A 3 4.470 -3.590 -6.065 1.00 0.00 C ATOM 97 C VAL A 3 3.798 -4.916 -6.404 1.00 0.00 C ATOM 98 O VAL A 3 2.944 -5.399 -5.660 1.00 0.00 O ATOM 99 CB VAL A 3 3.644 -2.439 -6.670 1.00 0.00 C ATOM 100 CG1 VAL A 3 3.587 -2.562 -8.185 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.245 -2.418 -6.075 1.00 0.00 C ATOM 0 H VAL A 3 6.030 -2.870 -7.266 1.00 0.00 H new ATOM 0 HA VAL A 3 4.506 -3.470 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 3 4.132 -1.496 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.999 -1.740 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.598 -2.523 -8.591 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.123 -3.510 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.675 -1.599 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.745 -3.363 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.311 -2.277 -4.996 1.00 0.00 H new ATOM 111 N ARG A 4 4.189 -5.500 -7.532 1.00 0.00 N ATOM 112 CA ARG A 4 3.624 -6.770 -7.971 1.00 0.00 C ATOM 113 C ARG A 4 3.828 -7.851 -6.913 1.00 0.00 C ATOM 114 O ARG A 4 3.111 -8.851 -6.887 1.00 0.00 O ATOM 115 CB ARG A 4 4.262 -7.208 -9.291 1.00 0.00 C ATOM 116 CG ARG A 4 4.060 -6.214 -10.424 1.00 0.00 C ATOM 117 CD ARG A 4 4.650 -6.728 -11.727 1.00 0.00 C ATOM 118 NE ARG A 4 4.507 -5.761 -12.812 1.00 0.00 N ATOM 119 CZ ARG A 4 4.808 -6.026 -14.078 1.00 0.00 C ATOM 120 NH1 ARG A 4 5.266 -7.224 -14.417 1.00 0.00 N ATOM 121 NH2 ARG A 4 4.651 -5.093 -15.008 1.00 0.00 N ATOM 0 H ARG A 4 4.895 -5.114 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 4 2.554 -6.629 -8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.331 -7.358 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.844 -8.171 -9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.995 -6.022 -10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.525 -5.263 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.706 -6.956 -11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.158 -7.660 -12.005 1.00 0.00 H new ATOM 0 HE ARG A 4 4.156 -4.830 -12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.388 -7.944 -13.705 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.497 -7.425 -15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 4 4.299 -4.171 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 4 4.883 -5.298 -15.980 1.00 0.00 H new ATOM 135 N ARG A 5 4.810 -7.641 -6.042 1.00 0.00 N ATOM 136 CA ARG A 5 5.109 -8.597 -4.983 1.00 0.00 C ATOM 137 C ARG A 5 4.592 -8.097 -3.637 1.00 0.00 C ATOM 138 O ARG A 5 5.124 -8.452 -2.585 1.00 0.00 O ATOM 139 CB ARG A 5 6.617 -8.845 -4.902 1.00 0.00 C ATOM 140 CG ARG A 5 7.192 -9.510 -6.142 1.00 0.00 C ATOM 141 CD ARG A 5 8.464 -10.280 -5.822 1.00 0.00 C ATOM 142 NE ARG A 5 9.537 -9.399 -5.369 1.00 0.00 N ATOM 143 CZ ARG A 5 10.826 -9.712 -5.445 1.00 0.00 C ATOM 144 NH1 ARG A 5 11.199 -10.878 -5.953 1.00 0.00 N ATOM 145 NH2 ARG A 5 11.744 -8.858 -5.012 1.00 0.00 N ATOM 0 H ARG A 5 5.412 -6.817 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 5 4.605 -9.534 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.125 -7.894 -4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.828 -9.470 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.453 -10.188 -6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.404 -8.753 -6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.255 -11.022 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.791 -10.824 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 5 9.283 -8.494 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.496 -11.537 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.189 -11.116 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.461 -7.960 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.733 -9.099 -5.071 1.00 0.00 H new ATOM 159 N LEU A 6 3.552 -7.272 -3.679 1.00 0.00 N ATOM 160 CA LEU A 6 2.962 -6.722 -2.463 1.00 0.00 C ATOM 161 C LEU A 6 1.499 -7.132 -2.334 1.00 0.00 C ATOM 162 O LEU A 6 0.650 -6.695 -3.110 1.00 0.00 O ATOM 163 CB LEU A 6 3.079 -5.197 -2.460 1.00 0.00 C ATOM 164 CG LEU A 6 4.464 -4.630 -2.147 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.425 -3.110 -2.117 1.00 0.00 C ATOM 166 CD2 LEU A 6 4.979 -5.179 -0.824 1.00 0.00 C ATOM 0 H LEU A 6 3.100 -6.969 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 6 3.509 -7.123 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.770 -4.827 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.373 -4.800 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 6 5.149 -4.939 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.420 -2.725 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.101 -2.735 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.726 -2.779 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.966 -4.765 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.294 -4.901 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.047 -6.265 -0.883 1.00 0.00 H new ATOM 178 N LYS A 7 1.210 -7.973 -1.346 1.00 0.00 N ATOM 179 CA LYS A 7 -0.151 -8.440 -1.112 1.00 0.00 C ATOM 180 C LYS A 7 -1.112 -7.264 -0.967 1.00 0.00 C ATOM 181 O LYS A 7 -0.691 -6.110 -0.893 1.00 0.00 O ATOM 182 CB LYS A 7 -0.204 -9.313 0.143 1.00 0.00 C ATOM 183 CG LYS A 7 0.048 -10.786 -0.129 1.00 0.00 C ATOM 184 CD LYS A 7 -0.656 -11.670 0.887 1.00 0.00 C ATOM 185 CE LYS A 7 0.089 -11.696 2.213 1.00 0.00 C ATOM 186 NZ LYS A 7 -0.367 -10.612 3.127 1.00 0.00 N ATOM 0 H LYS A 7 1.901 -8.345 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.458 -9.034 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.536 -8.952 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.181 -9.201 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.298 -11.036 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.120 -10.983 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.671 -11.307 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.738 -12.684 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.059 -12.663 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.159 -11.591 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.455 -10.064 3.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.023 -9.984 2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.851 -11.030 3.947 1.00 0.00 H new ATOM 200 N VAL A 8 -2.407 -7.565 -0.926 1.00 0.00 N ATOM 201 CA VAL A 8 -3.427 -6.534 -0.787 1.00 0.00 C ATOM 202 C VAL A 8 -3.195 -5.696 0.465 1.00 0.00 C ATOM 203 O VAL A 8 -3.389 -4.481 0.456 1.00 0.00 O ATOM 204 CB VAL A 8 -4.839 -7.146 -0.728 1.00 0.00 C ATOM 205 CG1 VAL A 8 -5.020 -8.180 -1.829 1.00 0.00 C ATOM 206 CG2 VAL A 8 -5.096 -7.760 0.639 1.00 0.00 C ATOM 0 H VAL A 8 -2.773 -8.515 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.353 -5.895 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.568 -6.351 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.024 -8.601 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.881 -7.705 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.285 -8.975 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.098 -8.188 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.362 -8.543 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.012 -6.990 1.406 1.00 0.00 H new ATOM 216 N ASN A 9 -2.779 -6.355 1.542 1.00 0.00 N ATOM 217 CA ASN A 9 -2.520 -5.671 2.804 1.00 0.00 C ATOM 218 C ASN A 9 -1.339 -4.714 2.672 1.00 0.00 C ATOM 219 O ASN A 9 -1.343 -3.625 3.246 1.00 0.00 O ATOM 220 CB ASN A 9 -2.245 -6.688 3.912 1.00 0.00 C ATOM 221 CG ASN A 9 -3.353 -7.715 4.043 1.00 0.00 C ATOM 222 OD1 ASN A 9 -3.616 -8.482 3.116 1.00 0.00 O ATOM 223 ND2 ASN A 9 -4.008 -7.735 5.197 1.00 0.00 N ATOM 0 H ASN A 9 -2.614 -7.361 1.566 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.406 -5.092 3.063 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.303 -7.198 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.125 -6.164 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.763 -8.405 5.343 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.756 -7.081 5.938 1.00 0.00 H new ATOM 230 N GLU A 10 -0.331 -5.128 1.911 1.00 0.00 N ATOM 231 CA GLU A 10 0.856 -4.307 1.704 1.00 0.00 C ATOM 232 C GLU A 10 0.518 -3.054 0.901 1.00 0.00 C ATOM 233 O GLU A 10 1.028 -1.968 1.180 1.00 0.00 O ATOM 234 CB GLU A 10 1.940 -5.111 0.982 1.00 0.00 C ATOM 235 CG GLU A 10 2.498 -6.258 1.807 1.00 0.00 C ATOM 236 CD GLU A 10 3.635 -5.826 2.713 1.00 0.00 C ATOM 237 OE1 GLU A 10 4.306 -4.824 2.386 1.00 0.00 O ATOM 238 OE2 GLU A 10 3.853 -6.489 3.748 1.00 0.00 O ATOM 0 H GLU A 10 -0.313 -6.026 1.428 1.00 0.00 H new ATOM 0 HA GLU A 10 1.230 -4.002 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.528 -5.508 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.755 -4.441 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.700 -6.688 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.850 -7.044 1.139 1.00 0.00 H new ATOM 245 N LEU A 11 -0.345 -3.212 -0.097 1.00 0.00 N ATOM 246 CA LEU A 11 -0.751 -2.095 -0.941 1.00 0.00 C ATOM 247 C LEU A 11 -1.570 -1.082 -0.147 1.00 0.00 C ATOM 248 O LEU A 11 -1.335 0.124 -0.231 1.00 0.00 O ATOM 249 CB LEU A 11 -1.564 -2.601 -2.134 1.00 0.00 C ATOM 250 CG LEU A 11 -0.898 -3.678 -2.991 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.921 -4.349 -3.895 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.233 -3.080 -3.815 1.00 0.00 C ATOM 0 H LEU A 11 -0.777 -4.103 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 11 0.150 -1.601 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.510 -2.994 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.801 -1.751 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.478 -4.434 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.429 -5.113 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.697 -4.812 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.371 -3.604 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.696 -3.861 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.164 -2.303 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.979 -2.647 -3.149 1.00 0.00 H new ATOM 264 N ARG A 12 -2.529 -1.580 0.626 1.00 0.00 N ATOM 265 CA ARG A 12 -3.382 -0.719 1.437 1.00 0.00 C ATOM 266 C ARG A 12 -2.556 0.061 2.456 1.00 0.00 C ATOM 267 O ARG A 12 -2.778 1.252 2.668 1.00 0.00 O ATOM 268 CB ARG A 12 -4.446 -1.550 2.156 1.00 0.00 C ATOM 269 CG ARG A 12 -5.662 -1.858 1.298 1.00 0.00 C ATOM 270 CD ARG A 12 -6.582 -2.862 1.974 1.00 0.00 C ATOM 271 NE ARG A 12 -7.801 -3.093 1.203 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.854 -2.284 1.233 1.00 0.00 C ATOM 273 NH1 ARG A 12 -8.836 -1.196 1.991 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.926 -2.561 0.503 1.00 0.00 N ATOM 0 H ARG A 12 -2.735 -2.576 0.708 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.874 -0.008 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.000 -2.487 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.769 -1.016 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.210 -0.937 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.338 -2.251 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.053 -3.806 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.845 -2.501 2.968 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.846 -3.921 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.012 -0.979 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.646 -0.576 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.943 -3.396 -0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.734 -1.939 0.527 1.00 0.00 H new ATOM 288 N GLU A 13 -1.602 -0.621 3.083 1.00 0.00 N ATOM 289 CA GLU A 13 -0.744 0.008 4.080 1.00 0.00 C ATOM 290 C GLU A 13 0.138 1.077 3.442 1.00 0.00 C ATOM 291 O GLU A 13 0.318 2.160 3.998 1.00 0.00 O ATOM 292 CB GLU A 13 0.128 -1.043 4.770 1.00 0.00 C ATOM 293 CG GLU A 13 -0.661 -2.035 5.607 1.00 0.00 C ATOM 294 CD GLU A 13 -0.928 -1.530 7.013 1.00 0.00 C ATOM 295 OE1 GLU A 13 -1.873 -0.733 7.187 1.00 0.00 O ATOM 296 OE2 GLU A 13 -0.191 -1.933 7.937 1.00 0.00 O ATOM 0 H GLU A 13 -1.404 -1.608 2.918 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.383 0.485 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.693 -1.588 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.854 -0.539 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.610 -2.246 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.113 -2.976 5.661 1.00 0.00 H new ATOM 303 N GLU A 14 0.686 0.764 2.272 1.00 0.00 N ATOM 304 CA GLU A 14 1.550 1.697 1.559 1.00 0.00 C ATOM 305 C GLU A 14 0.780 2.951 1.153 1.00 0.00 C ATOM 306 O GLU A 14 1.229 4.073 1.389 1.00 0.00 O ATOM 307 CB GLU A 14 2.148 1.029 0.319 1.00 0.00 C ATOM 308 CG GLU A 14 3.251 0.034 0.637 1.00 0.00 C ATOM 309 CD GLU A 14 4.463 0.689 1.271 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.361 1.115 2.441 1.00 0.00 O ATOM 311 OE2 GLU A 14 5.511 0.776 0.599 1.00 0.00 O ATOM 0 H GLU A 14 0.547 -0.128 1.798 1.00 0.00 H new ATOM 0 HA GLU A 14 2.358 1.989 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.355 0.518 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.544 1.799 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.862 -0.731 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.554 -0.472 -0.280 1.00 0.00 H new ATOM 318 N LEU A 15 -0.382 2.751 0.540 1.00 0.00 N ATOM 319 CA LEU A 15 -1.216 3.864 0.100 1.00 0.00 C ATOM 320 C LEU A 15 -1.693 4.691 1.290 1.00 0.00 C ATOM 321 O LEU A 15 -1.810 5.913 1.201 1.00 0.00 O ATOM 322 CB LEU A 15 -2.419 3.345 -0.690 1.00 0.00 C ATOM 323 CG LEU A 15 -2.124 2.828 -2.098 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.309 2.041 -2.637 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.780 3.982 -3.029 1.00 0.00 C ATOM 0 H LEU A 15 -0.768 1.829 0.337 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.614 4.504 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.884 2.541 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.153 4.148 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.264 2.160 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.081 1.681 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.509 1.192 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.187 2.686 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.573 3.595 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.620 4.675 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.900 4.504 -2.652 1.00 0.00 H new ATOM 337 N GLN A 16 -1.966 4.016 2.402 1.00 0.00 N ATOM 338 CA GLN A 16 -2.429 4.689 3.610 1.00 0.00 C ATOM 339 C GLN A 16 -1.341 5.594 4.179 1.00 0.00 C ATOM 340 O GLN A 16 -1.626 6.680 4.683 1.00 0.00 O ATOM 341 CB GLN A 16 -2.855 3.662 4.660 1.00 0.00 C ATOM 342 CG GLN A 16 -3.864 4.199 5.662 1.00 0.00 C ATOM 343 CD GLN A 16 -3.962 3.341 6.908 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.525 2.247 6.879 1.00 0.00 O ATOM 345 NE2 GLN A 16 -3.414 3.835 8.012 1.00 0.00 N ATOM 0 H GLN A 16 -1.875 3.004 2.491 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.288 5.305 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.282 2.795 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.972 3.316 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.584 5.214 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.844 4.259 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.957 4.747 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.450 3.303 8.881 1.00 0.00 H new ATOM 354 N ARG A 17 -0.095 5.139 4.095 1.00 0.00 N ATOM 355 CA ARG A 17 1.034 5.907 4.604 1.00 0.00 C ATOM 356 C ARG A 17 1.221 7.193 3.804 1.00 0.00 C ATOM 357 O ARG A 17 1.733 8.187 4.319 1.00 0.00 O ATOM 358 CB ARG A 17 2.314 5.069 4.549 1.00 0.00 C ATOM 359 CG ARG A 17 2.454 4.096 5.708 1.00 0.00 C ATOM 360 CD ARG A 17 3.847 3.488 5.760 1.00 0.00 C ATOM 361 NE ARG A 17 4.797 4.355 6.452 1.00 0.00 N ATOM 362 CZ ARG A 17 4.878 4.449 7.774 1.00 0.00 C ATOM 363 NH1 ARG A 17 4.070 3.733 8.544 1.00 0.00 N ATOM 364 NH2 ARG A 17 5.769 5.260 8.330 1.00 0.00 N ATOM 0 H ARG A 17 0.158 4.242 3.679 1.00 0.00 H new ATOM 0 HA ARG A 17 0.824 6.171 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.333 4.511 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.175 5.737 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.246 4.612 6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.713 3.303 5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.803 2.523 6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.199 3.301 4.745 1.00 0.00 H new ATOM 0 HE ARG A 17 5.433 4.919 5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.384 3.108 8.121 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.135 3.807 9.559 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.393 5.812 7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.830 5.331 9.346 1.00 0.00 H new ATOM 378 N ARG A 18 0.804 7.165 2.543 1.00 0.00 N ATOM 379 CA ARG A 18 0.927 8.328 1.672 1.00 0.00 C ATOM 380 C ARG A 18 -0.396 9.083 1.583 1.00 0.00 C ATOM 381 O ARG A 18 -0.554 9.984 0.761 1.00 0.00 O ATOM 382 CB ARG A 18 1.376 7.899 0.274 1.00 0.00 C ATOM 383 CG ARG A 18 2.759 7.270 0.244 1.00 0.00 C ATOM 384 CD ARG A 18 3.159 6.868 -1.167 1.00 0.00 C ATOM 385 NE ARG A 18 3.801 7.964 -1.888 1.00 0.00 N ATOM 386 CZ ARG A 18 3.131 8.886 -2.571 1.00 0.00 C ATOM 387 NH1 ARG A 18 1.807 8.844 -2.626 1.00 0.00 N ATOM 388 NH2 ARG A 18 3.787 9.852 -3.201 1.00 0.00 N ATOM 0 H ARG A 18 0.378 6.350 2.101 1.00 0.00 H new ATOM 0 HA ARG A 18 1.677 8.993 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.654 7.188 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.367 8.768 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.489 7.974 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.775 6.393 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.838 6.017 -1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.275 6.542 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 18 4.819 8.025 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.300 8.102 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.296 9.553 -3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.806 9.887 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.273 10.560 -3.725 1.00 0.00 H new ATOM 402 N GLY A 19 -1.344 8.709 2.437 1.00 0.00 N ATOM 403 CA GLY A 19 -2.641 9.361 2.439 1.00 0.00 C ATOM 404 C GLY A 19 -3.421 9.102 1.165 1.00 0.00 C ATOM 405 O GLY A 19 -4.436 9.751 0.907 1.00 0.00 O ATOM 0 H GLY A 19 -1.237 7.966 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.220 9.010 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.504 10.435 2.566 1.00 0.00 H new ATOM 409 N LEU A 20 -2.947 8.152 0.366 1.00 0.00 N ATOM 410 CA LEU A 20 -3.607 7.809 -0.889 1.00 0.00 C ATOM 411 C LEU A 20 -4.826 6.926 -0.641 1.00 0.00 C ATOM 412 O LEU A 20 -4.838 6.115 0.285 1.00 0.00 O ATOM 413 CB LEU A 20 -2.628 7.097 -1.824 1.00 0.00 C ATOM 414 CG LEU A 20 -1.443 7.928 -2.316 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.521 7.083 -3.182 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.930 9.148 -3.084 1.00 0.00 C ATOM 0 H LEU A 20 -2.109 7.606 0.565 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.942 8.733 -1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.240 6.218 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.181 6.740 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.879 8.271 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.317 7.691 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.145 6.242 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.073 6.710 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.073 9.728 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.518 8.826 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.549 9.765 -2.432 1.00 0.00 H new ATOM 428 N ASP A 21 -5.847 7.089 -1.475 1.00 0.00 N ATOM 429 CA ASP A 21 -7.070 6.304 -1.348 1.00 0.00 C ATOM 430 C ASP A 21 -6.763 4.810 -1.386 1.00 0.00 C ATOM 431 O ASP A 21 -5.928 4.356 -2.168 1.00 0.00 O ATOM 432 CB ASP A 21 -8.050 6.664 -2.465 1.00 0.00 C ATOM 433 CG ASP A 21 -9.496 6.461 -2.054 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.921 7.078 -1.055 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.201 5.686 -2.733 1.00 0.00 O ATOM 0 H ASP A 21 -5.852 7.757 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.525 6.539 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.900 7.704 -2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.836 6.055 -3.343 1.00 0.00 H new ATOM 440 N THR A 22 -7.444 4.050 -0.533 1.00 0.00 N ATOM 441 CA THR A 22 -7.243 2.608 -0.467 1.00 0.00 C ATOM 442 C THR A 22 -8.471 1.858 -0.969 1.00 0.00 C ATOM 443 O THR A 22 -8.758 0.747 -0.522 1.00 0.00 O ATOM 444 CB THR A 22 -6.927 2.150 0.969 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.991 2.529 1.849 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.619 2.757 1.455 1.00 0.00 C ATOM 0 H THR A 22 -8.139 4.410 0.121 1.00 0.00 H new ATOM 0 HA THR A 22 -6.393 2.378 -1.109 1.00 0.00 H new ATOM 0 HB THR A 22 -6.827 1.065 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.783 2.233 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.417 2.419 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.807 2.443 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.696 3.844 1.442 1.00 0.00 H new ATOM 454 N ARG A 23 -9.194 2.472 -1.900 1.00 0.00 N ATOM 455 CA ARG A 23 -10.393 1.862 -2.462 1.00 0.00 C ATOM 456 C ARG A 23 -10.090 1.204 -3.805 1.00 0.00 C ATOM 457 O ARG A 23 -9.380 1.767 -4.637 1.00 0.00 O ATOM 458 CB ARG A 23 -11.493 2.911 -2.632 1.00 0.00 C ATOM 459 CG ARG A 23 -11.948 3.534 -1.323 1.00 0.00 C ATOM 460 CD ARG A 23 -12.816 2.577 -0.522 1.00 0.00 C ATOM 461 NE ARG A 23 -12.904 2.964 0.884 1.00 0.00 N ATOM 462 CZ ARG A 23 -13.345 2.156 1.842 1.00 0.00 C ATOM 463 NH1 ARG A 23 -13.735 0.924 1.547 1.00 0.00 N ATOM 464 NH2 ARG A 23 -13.396 2.581 3.098 1.00 0.00 N ATOM 0 H ARG A 23 -8.970 3.391 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.738 1.093 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.133 3.699 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.350 2.450 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.077 3.818 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.506 4.448 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.817 2.548 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.408 1.569 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.611 3.906 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.697 0.594 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.073 0.306 2.284 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.097 3.528 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.735 1.960 3.833 1.00 0.00 H new ATOM 478 N GLY A 24 -10.634 0.008 -4.010 1.00 0.00 N ATOM 479 CA GLY A 24 -10.410 -0.706 -5.253 1.00 0.00 C ATOM 480 C GLY A 24 -9.749 -2.053 -5.036 1.00 0.00 C ATOM 481 O GLY A 24 -9.226 -2.330 -3.956 1.00 0.00 O ATOM 0 H GLY A 24 -11.226 -0.479 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.363 -0.850 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.786 -0.100 -5.909 1.00 0.00 H new ATOM 485 N LEU A 25 -9.772 -2.894 -6.065 1.00 0.00 N ATOM 486 CA LEU A 25 -9.171 -4.220 -5.982 1.00 0.00 C ATOM 487 C LEU A 25 -7.659 -4.124 -5.807 1.00 0.00 C ATOM 488 O LEU A 25 -7.092 -3.031 -5.809 1.00 0.00 O ATOM 489 CB LEU A 25 -9.501 -5.030 -7.237 1.00 0.00 C ATOM 490 CG LEU A 25 -10.832 -5.781 -7.222 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.229 -6.194 -8.631 1.00 0.00 C ATOM 492 CD2 LEU A 25 -10.748 -6.998 -6.311 1.00 0.00 C ATOM 0 H LEU A 25 -10.200 -2.681 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.586 -4.726 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.498 -4.354 -8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.701 -5.753 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.599 -5.112 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.179 -6.727 -8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.332 -5.306 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.461 -6.845 -9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.705 -7.520 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.968 -7.669 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.511 -6.677 -5.296 1.00 0.00 H new ATOM 504 N LYS A 26 -7.011 -5.274 -5.658 1.00 0.00 N ATOM 505 CA LYS A 26 -5.564 -5.321 -5.486 1.00 0.00 C ATOM 506 C LYS A 26 -4.855 -4.635 -6.649 1.00 0.00 C ATOM 507 O LYS A 26 -3.922 -3.859 -6.449 1.00 0.00 O ATOM 508 CB LYS A 26 -5.090 -6.771 -5.370 1.00 0.00 C ATOM 509 CG LYS A 26 -3.591 -6.907 -5.167 1.00 0.00 C ATOM 510 CD LYS A 26 -3.067 -8.213 -5.740 1.00 0.00 C ATOM 511 CE LYS A 26 -1.548 -8.223 -5.805 1.00 0.00 C ATOM 512 NZ LYS A 26 -1.012 -9.589 -6.062 1.00 0.00 N ATOM 0 H LYS A 26 -7.466 -6.187 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.315 -4.789 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.606 -7.247 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.376 -7.311 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.081 -6.069 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.361 -6.857 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.411 -9.045 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.476 -8.363 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.214 -7.548 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.142 -7.844 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.027 -9.553 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.309 -10.228 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.379 -9.941 -6.969 1.00 0.00 H new ATOM 526 N ALA A 27 -5.306 -4.926 -7.865 1.00 0.00 N ATOM 527 CA ALA A 27 -4.717 -4.334 -9.060 1.00 0.00 C ATOM 528 C ALA A 27 -4.785 -2.811 -9.009 1.00 0.00 C ATOM 529 O ALA A 27 -3.806 -2.128 -9.305 1.00 0.00 O ATOM 530 CB ALA A 27 -5.417 -4.854 -10.307 1.00 0.00 C ATOM 0 H ALA A 27 -6.077 -5.568 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.667 -4.624 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.967 -4.403 -11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.312 -5.938 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.475 -4.594 -10.266 1.00 0.00 H new ATOM 536 N GLU A 28 -5.948 -2.288 -8.634 1.00 0.00 N ATOM 537 CA GLU A 28 -6.143 -0.845 -8.546 1.00 0.00 C ATOM 538 C GLU A 28 -5.200 -0.230 -7.516 1.00 0.00 C ATOM 539 O GLU A 28 -4.552 0.784 -7.777 1.00 0.00 O ATOM 540 CB GLU A 28 -7.594 -0.525 -8.182 1.00 0.00 C ATOM 541 CG GLU A 28 -8.549 -0.604 -9.361 1.00 0.00 C ATOM 542 CD GLU A 28 -8.307 0.490 -10.382 1.00 0.00 C ATOM 543 OE1 GLU A 28 -8.448 1.678 -10.023 1.00 0.00 O ATOM 544 OE2 GLU A 28 -7.976 0.159 -11.540 1.00 0.00 O ATOM 0 H GLU A 28 -6.769 -2.841 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.918 -0.414 -9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.927 -1.217 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.640 0.477 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.445 -1.576 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.575 -0.537 -8.998 1.00 0.00 H new ATOM 551 N LEU A 29 -5.130 -0.851 -6.343 1.00 0.00 N ATOM 552 CA LEU A 29 -4.268 -0.365 -5.271 1.00 0.00 C ATOM 553 C LEU A 29 -2.801 -0.414 -5.687 1.00 0.00 C ATOM 554 O LEU A 29 -2.025 0.486 -5.369 1.00 0.00 O ATOM 555 CB LEU A 29 -4.478 -1.196 -4.004 1.00 0.00 C ATOM 556 CG LEU A 29 -5.919 -1.299 -3.500 1.00 0.00 C ATOM 557 CD1 LEU A 29 -6.068 -2.473 -2.545 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.340 -0.002 -2.825 1.00 0.00 C ATOM 0 H LEU A 29 -5.659 -1.691 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.534 0.672 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.106 -2.204 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.866 -0.771 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.573 -1.469 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.099 -2.530 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.807 -3.397 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.404 -2.334 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.367 -0.092 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.682 0.198 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.272 0.819 -3.539 1.00 0.00 H new ATOM 570 N ALA A 30 -2.430 -1.471 -6.403 1.00 0.00 N ATOM 571 CA ALA A 30 -1.058 -1.636 -6.866 1.00 0.00 C ATOM 572 C ALA A 30 -0.667 -0.522 -7.831 1.00 0.00 C ATOM 573 O ALA A 30 0.432 0.025 -7.749 1.00 0.00 O ATOM 574 CB ALA A 30 -0.884 -2.995 -7.528 1.00 0.00 C ATOM 0 H ALA A 30 -3.061 -2.225 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.399 -1.579 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.145 -3.104 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.114 -3.782 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.559 -3.074 -8.380 1.00 0.00 H new ATOM 580 N GLU A 31 -1.574 -0.191 -8.745 1.00 0.00 N ATOM 581 CA GLU A 31 -1.322 0.858 -9.726 1.00 0.00 C ATOM 582 C GLU A 31 -1.247 2.226 -9.054 1.00 0.00 C ATOM 583 O GLU A 31 -0.422 3.064 -9.417 1.00 0.00 O ATOM 584 CB GLU A 31 -2.417 0.862 -10.794 1.00 0.00 C ATOM 585 CG GLU A 31 -2.510 -0.438 -11.576 1.00 0.00 C ATOM 586 CD GLU A 31 -1.348 -0.629 -12.531 1.00 0.00 C ATOM 587 OE1 GLU A 31 -1.413 -0.094 -13.657 1.00 0.00 O ATOM 588 OE2 GLU A 31 -0.375 -1.313 -12.152 1.00 0.00 O ATOM 0 H GLU A 31 -2.489 -0.634 -8.826 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.362 0.653 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.377 1.059 -10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.232 1.682 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.544 -1.275 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.444 -0.453 -12.138 1.00 0.00 H new ATOM 595 N ARG A 32 -2.115 2.444 -8.071 1.00 0.00 N ATOM 596 CA ARG A 32 -2.149 3.709 -7.349 1.00 0.00 C ATOM 597 C ARG A 32 -0.805 3.993 -6.685 1.00 0.00 C ATOM 598 O ARG A 32 -0.208 5.050 -6.895 1.00 0.00 O ATOM 599 CB ARG A 32 -3.257 3.689 -6.293 1.00 0.00 C ATOM 600 CG ARG A 32 -3.851 5.058 -6.007 1.00 0.00 C ATOM 601 CD ARG A 32 -4.937 4.984 -4.946 1.00 0.00 C ATOM 602 NE ARG A 32 -5.955 6.015 -5.131 1.00 0.00 N ATOM 603 CZ ARG A 32 -5.717 7.315 -4.994 1.00 0.00 C ATOM 604 NH1 ARG A 32 -4.503 7.740 -4.674 1.00 0.00 N ATOM 605 NH2 ARG A 32 -6.696 8.192 -5.179 1.00 0.00 N ATOM 0 H ARG A 32 -2.804 1.760 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.355 4.502 -8.067 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.051 3.020 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.857 3.275 -5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.064 5.735 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.266 5.475 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.407 4.001 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.487 5.092 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.900 5.721 -5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.748 7.068 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.323 8.739 -4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.631 7.868 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.513 9.190 -5.074 1.00 0.00 H new ATOM 619 N LEU A 33 -0.334 3.044 -5.885 1.00 0.00 N ATOM 620 CA LEU A 33 0.940 3.191 -5.190 1.00 0.00 C ATOM 621 C LEU A 33 2.087 3.349 -6.183 1.00 0.00 C ATOM 622 O LEU A 33 2.943 4.219 -6.023 1.00 0.00 O ATOM 623 CB LEU A 33 1.194 1.982 -4.287 1.00 0.00 C ATOM 624 CG LEU A 33 2.614 1.843 -3.736 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.941 3.001 -2.806 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.777 0.513 -3.013 1.00 0.00 C ATOM 0 H LEU A 33 -0.815 2.164 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 33 0.889 4.090 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.502 2.030 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.953 1.078 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 33 3.312 1.867 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.955 2.885 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.865 3.940 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.238 3.009 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.793 0.431 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.069 0.460 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.585 -0.305 -3.708 1.00 0.00 H new ATOM 638 N GLN A 34 2.095 2.504 -7.208 1.00 0.00 N ATOM 639 CA GLN A 34 3.137 2.551 -8.228 1.00 0.00 C ATOM 640 C GLN A 34 3.156 3.909 -8.924 1.00 0.00 C ATOM 641 O GLN A 34 4.219 4.488 -9.146 1.00 0.00 O ATOM 642 CB GLN A 34 2.922 1.441 -9.258 1.00 0.00 C ATOM 643 CG GLN A 34 4.115 1.224 -10.176 1.00 0.00 C ATOM 644 CD GLN A 34 5.420 1.094 -9.416 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.798 0.002 -8.990 1.00 0.00 O ATOM 646 NE2 GLN A 34 6.117 2.211 -9.242 1.00 0.00 N ATOM 0 H GLN A 34 1.393 1.779 -7.355 1.00 0.00 H new ATOM 0 HA GLN A 34 4.098 2.400 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.702 0.510 -8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.048 1.682 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.953 0.324 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.187 2.057 -10.875 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.766 3.094 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.004 2.186 -8.738 1.00 0.00 H new ATOM 655 N ALA A 35 1.974 4.410 -9.265 1.00 0.00 N ATOM 656 CA ALA A 35 1.855 5.700 -9.934 1.00 0.00 C ATOM 657 C ALA A 35 2.505 6.807 -9.110 1.00 0.00 C ATOM 658 O ALA A 35 3.132 7.713 -9.657 1.00 0.00 O ATOM 659 CB ALA A 35 0.392 6.025 -10.197 1.00 0.00 C ATOM 0 H ALA A 35 1.085 3.942 -9.089 1.00 0.00 H new ATOM 0 HA ALA A 35 2.379 5.637 -10.888 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.318 6.991 -10.697 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.044 5.253 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.148 6.064 -9.251 1.00 0.00 H new ATOM 665 N ALA A 36 2.349 6.727 -7.793 1.00 0.00 N ATOM 666 CA ALA A 36 2.922 7.722 -6.894 1.00 0.00 C ATOM 667 C ALA A 36 4.426 7.522 -6.742 1.00 0.00 C ATOM 668 O ALA A 36 5.197 8.483 -6.772 1.00 0.00 O ATOM 669 CB ALA A 36 2.240 7.661 -5.536 1.00 0.00 C ATOM 0 H ALA A 36 1.831 5.984 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 36 2.755 8.708 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.678 8.409 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.175 7.860 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.378 6.670 -5.104 1.00 0.00 H new ATOM 675 N LEU A 37 4.839 6.270 -6.578 1.00 0.00 N ATOM 676 CA LEU A 37 6.252 5.944 -6.420 1.00 0.00 C ATOM 677 C LEU A 37 7.051 6.381 -7.644 1.00 0.00 C ATOM 678 O LEU A 37 8.106 7.003 -7.518 1.00 0.00 O ATOM 679 CB LEU A 37 6.427 4.442 -6.193 1.00 0.00 C ATOM 680 CG LEU A 37 5.945 3.907 -4.844 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.945 2.386 -4.842 1.00 0.00 C ATOM 682 CD2 LEU A 37 6.815 4.443 -3.716 1.00 0.00 C ATOM 0 H LEU A 37 4.215 5.464 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 37 6.629 6.483 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.896 3.911 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.484 4.199 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 37 4.923 4.250 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.599 2.023 -3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.280 2.021 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.956 2.022 -5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.457 4.052 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.847 4.130 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.764 5.532 -3.703 1.00 0.00 H new ATOM 694 N SER A 38 6.541 6.053 -8.826 1.00 0.00 N ATOM 695 CA SER A 38 7.208 6.410 -10.073 1.00 0.00 C ATOM 696 C SER A 38 8.687 6.040 -10.022 1.00 0.00 C ATOM 697 O SER A 38 9.547 6.815 -10.440 1.00 0.00 O ATOM 698 CB SER A 38 7.054 7.907 -10.347 1.00 0.00 C ATOM 699 OG SER A 38 7.188 8.188 -11.730 1.00 0.00 O ATOM 0 H SER A 38 5.668 5.540 -8.947 1.00 0.00 H new ATOM 0 HA SER A 38 6.739 5.850 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.079 8.246 -9.996 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.805 8.462 -9.785 1.00 0.00 H new ATOM 0 HG SER A 38 7.084 9.151 -11.880 1.00 0.00 H new ATOM 705 N GLY A 39 8.976 4.849 -9.507 1.00 0.00 N ATOM 706 CA GLY A 39 10.351 4.395 -9.411 1.00 0.00 C ATOM 707 C GLY A 39 10.694 3.356 -10.459 1.00 0.00 C ATOM 708 O GLY A 39 9.851 2.949 -11.259 1.00 0.00 O ATOM 0 H GLY A 39 8.282 4.190 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.020 5.249 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.524 3.977 -8.419 1.00 0.00 H new ATOM 712 N PRO A 40 11.959 2.910 -10.465 1.00 0.00 N ATOM 713 CA PRO A 40 12.440 1.906 -11.419 1.00 0.00 C ATOM 714 C PRO A 40 11.851 0.525 -11.154 1.00 0.00 C ATOM 715 O PRO A 40 11.413 -0.161 -12.077 1.00 0.00 O ATOM 716 CB PRO A 40 13.953 1.895 -11.189 1.00 0.00 C ATOM 717 CG PRO A 40 14.127 2.367 -9.786 1.00 0.00 C ATOM 718 CD PRO A 40 13.016 3.351 -9.540 1.00 0.00 C ATOM 0 HA PRO A 40 12.152 2.146 -12.443 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.367 0.896 -11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.465 2.550 -11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.073 1.534 -9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.101 2.836 -9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.679 3.326 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.331 4.373 -9.748 1.00 0.00 H new ATOM 726 N SER A 41 11.843 0.123 -9.887 1.00 0.00 N ATOM 727 CA SER A 41 11.310 -1.178 -9.501 1.00 0.00 C ATOM 728 C SER A 41 11.668 -2.240 -10.536 1.00 0.00 C ATOM 729 O SER A 41 10.841 -3.080 -10.891 1.00 0.00 O ATOM 730 CB SER A 41 9.791 -1.102 -9.335 1.00 0.00 C ATOM 731 OG SER A 41 9.146 -0.988 -10.592 1.00 0.00 O ATOM 0 H SER A 41 12.200 0.680 -9.110 1.00 0.00 H new ATOM 0 HA SER A 41 11.758 -1.459 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.433 -1.993 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.532 -0.246 -8.711 1.00 0.00 H new ATOM 0 HG SER A 41 9.804 -0.744 -11.276 1.00 0.00 H new ATOM 737 N SER A 42 12.907 -2.196 -11.016 1.00 0.00 N ATOM 738 CA SER A 42 13.375 -3.152 -12.013 1.00 0.00 C ATOM 739 C SER A 42 14.291 -4.193 -11.379 1.00 0.00 C ATOM 740 O SER A 42 15.319 -4.560 -11.947 1.00 0.00 O ATOM 741 CB SER A 42 14.112 -2.425 -13.140 1.00 0.00 C ATOM 742 OG SER A 42 13.248 -1.532 -13.821 1.00 0.00 O ATOM 0 H SER A 42 13.605 -1.509 -10.731 1.00 0.00 H new ATOM 0 HA SER A 42 12.506 -3.663 -12.427 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.959 -1.875 -12.729 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.516 -3.153 -13.844 1.00 0.00 H new ATOM 0 HG SER A 42 12.629 -1.124 -13.181 1.00 0.00 H new ATOM 748 N GLY A 43 13.911 -4.666 -10.196 1.00 0.00 N ATOM 749 CA GLY A 43 14.709 -5.661 -9.503 1.00 0.00 C ATOM 750 C GLY A 43 15.714 -5.040 -8.554 1.00 0.00 C ATOM 751 O GLY A 43 16.744 -5.641 -8.250 1.00 0.00 O ATOM 0 H GLY A 43 13.065 -4.378 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.050 -6.326 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.235 -6.274 -10.235 1.00 0.00 H new TER 755 GLY A 43