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 -153:sc= -0.108 (180deg=-0.59) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.73 K(o=-1.7,f=-15!) 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 : amide:sc= 0 X(o=0,f=-0.23) 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= -0.385 F(o=-0.89,f=-0.38) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 67:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 23.028 6.215 -1.584 1.00 0.00 N ATOM 2 CA GLY A -6 22.609 5.497 -0.394 1.00 0.00 C ATOM 3 C GLY A -6 23.595 4.419 0.010 1.00 0.00 C ATOM 4 O GLY A -6 24.623 4.707 0.624 1.00 0.00 O ATOM 0 H1 GLY A -6 22.321 6.941 -1.819 1.00 0.00 H new ATOM 0 H2 GLY A -6 23.947 6.670 -1.409 1.00 0.00 H new ATOM 0 H3 GLY A -6 23.117 5.549 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A -6 22.489 6.202 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A -6 21.633 5.045 -0.571 1.00 0.00 H new ATOM 8 N SER A -5 23.282 3.174 -0.333 1.00 0.00 N ATOM 9 CA SER A -5 24.146 2.048 0.003 1.00 0.00 C ATOM 10 C SER A -5 23.892 0.870 -0.934 1.00 0.00 C ATOM 11 O SER A -5 22.955 0.889 -1.732 1.00 0.00 O ATOM 12 CB SER A -5 23.919 1.619 1.453 1.00 0.00 C ATOM 13 OG SER A -5 22.606 1.118 1.638 1.00 0.00 O ATOM 0 H SER A -5 22.436 2.919 -0.843 1.00 0.00 H new ATOM 0 HA SER A -5 25.181 2.368 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A -5 24.645 0.854 1.727 1.00 0.00 H new ATOM 0 HB3 SER A -5 24.084 2.468 2.117 1.00 0.00 H new ATOM 0 HG SER A -5 22.487 0.849 2.573 1.00 0.00 H new ATOM 19 N SER A -4 24.734 -0.152 -0.829 1.00 0.00 N ATOM 20 CA SER A -4 24.605 -1.338 -1.669 1.00 0.00 C ATOM 21 C SER A -4 23.147 -1.777 -1.767 1.00 0.00 C ATOM 22 O SER A -4 22.410 -1.747 -0.783 1.00 0.00 O ATOM 23 CB SER A -4 25.456 -2.480 -1.110 1.00 0.00 C ATOM 24 OG SER A -4 25.138 -3.708 -1.740 1.00 0.00 O ATOM 0 H SER A -4 25.513 -0.184 -0.171 1.00 0.00 H new ATOM 0 HA SER A -4 24.959 -1.086 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A -4 26.513 -2.256 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A -4 25.294 -2.566 -0.036 1.00 0.00 H new ATOM 0 HG SER A -4 25.696 -4.421 -1.367 1.00 0.00 H new ATOM 30 N GLY A -3 22.738 -2.185 -2.965 1.00 0.00 N ATOM 31 CA GLY A -3 21.370 -2.624 -3.172 1.00 0.00 C ATOM 32 C GLY A -3 20.473 -1.511 -3.674 1.00 0.00 C ATOM 33 O GLY A -3 20.843 -0.770 -4.585 1.00 0.00 O ATOM 0 H GLY A -3 23.329 -2.219 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A -3 21.360 -3.445 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A -3 20.971 -3.013 -2.235 1.00 0.00 H new ATOM 37 N SER A -2 19.290 -1.393 -3.081 1.00 0.00 N ATOM 38 CA SER A -2 18.335 -0.365 -3.478 1.00 0.00 C ATOM 39 C SER A -2 18.113 -0.382 -4.987 1.00 0.00 C ATOM 40 O SER A -2 18.239 0.643 -5.656 1.00 0.00 O ATOM 41 CB SER A -2 18.827 1.016 -3.039 1.00 0.00 C ATOM 42 OG SER A -2 17.740 1.886 -2.778 1.00 0.00 O ATOM 0 H SER A -2 18.969 -1.997 -2.324 1.00 0.00 H new ATOM 0 HA SER A -2 17.386 -0.578 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A -2 19.442 0.919 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A -2 19.460 1.444 -3.816 1.00 0.00 H new ATOM 0 HG SER A -2 18.081 2.761 -2.498 1.00 0.00 H new ATOM 48 N SER A -1 17.783 -1.556 -5.516 1.00 0.00 N ATOM 49 CA SER A -1 17.547 -1.710 -6.947 1.00 0.00 C ATOM 50 C SER A -1 16.159 -1.204 -7.327 1.00 0.00 C ATOM 51 O SER A -1 15.987 -0.533 -8.343 1.00 0.00 O ATOM 52 CB SER A -1 17.697 -3.177 -7.355 1.00 0.00 C ATOM 53 OG SER A -1 18.983 -3.670 -7.022 1.00 0.00 O ATOM 0 H SER A -1 17.673 -2.414 -4.976 1.00 0.00 H new ATOM 0 HA SER A -1 18.289 -1.114 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A -1 16.934 -3.776 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A -1 17.532 -3.278 -8.428 1.00 0.00 H new ATOM 0 HG SER A -1 19.053 -4.610 -7.291 1.00 0.00 H new ATOM 59 N GLY A 0 15.170 -1.533 -6.501 1.00 0.00 N ATOM 60 CA GLY A 0 13.809 -1.104 -6.766 1.00 0.00 C ATOM 61 C GLY A 0 12.814 -1.696 -5.787 1.00 0.00 C ATOM 62 O GLY A 0 13.200 -2.247 -4.756 1.00 0.00 O ATOM 0 H GLY A 0 15.287 -2.089 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 0 13.758 -0.016 -6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 0 13.531 -1.392 -7.780 1.00 0.00 H new ATOM 66 N MET A 1 11.530 -1.581 -6.109 1.00 0.00 N ATOM 67 CA MET A 1 10.476 -2.108 -5.249 1.00 0.00 C ATOM 68 C MET A 1 9.428 -2.854 -6.069 1.00 0.00 C ATOM 69 O MET A 1 8.906 -2.328 -7.052 1.00 0.00 O ATOM 70 CB MET A 1 9.814 -0.975 -4.463 1.00 0.00 C ATOM 71 CG MET A 1 8.939 -1.460 -3.319 1.00 0.00 C ATOM 72 SD MET A 1 9.875 -1.767 -1.809 1.00 0.00 S ATOM 73 CE MET A 1 10.050 -3.549 -1.875 1.00 0.00 C ATOM 0 H MET A 1 11.194 -1.128 -6.959 1.00 0.00 H new ATOM 0 HA MET A 1 10.930 -2.809 -4.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.588 -0.319 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.209 -0.377 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.166 -0.718 -3.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.431 -2.376 -3.619 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.154 -3.942 -0.864 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.168 -3.984 -2.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.935 -3.806 -2.457 1.00 0.00 H new ATOM 83 N ASP A 2 9.126 -4.081 -5.659 1.00 0.00 N ATOM 84 CA ASP A 2 8.139 -4.898 -6.356 1.00 0.00 C ATOM 85 C ASP A 2 6.746 -4.682 -5.774 1.00 0.00 C ATOM 86 O ASP A 2 6.350 -5.351 -4.819 1.00 0.00 O ATOM 87 CB ASP A 2 8.518 -6.378 -6.269 1.00 0.00 C ATOM 88 CG ASP A 2 9.849 -6.675 -6.932 1.00 0.00 C ATOM 89 OD1 ASP A 2 9.921 -6.603 -8.177 1.00 0.00 O ATOM 90 OD2 ASP A 2 10.818 -6.978 -6.206 1.00 0.00 O ATOM 0 H ASP A 2 9.550 -4.532 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 2 8.126 -4.595 -7.403 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.562 -6.678 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.739 -6.978 -6.740 1.00 0.00 H new ATOM 95 N VAL A 3 6.007 -3.742 -6.355 1.00 0.00 N ATOM 96 CA VAL A 3 4.657 -3.437 -5.894 1.00 0.00 C ATOM 97 C VAL A 3 3.712 -4.605 -6.152 1.00 0.00 C ATOM 98 O VAL A 3 2.737 -4.800 -5.425 1.00 0.00 O ATOM 99 CB VAL A 3 4.100 -2.178 -6.584 1.00 0.00 C ATOM 100 CG1 VAL A 3 4.121 -2.343 -8.096 1.00 0.00 C ATOM 101 CG2 VAL A 3 2.692 -1.880 -6.091 1.00 0.00 C ATOM 0 H VAL A 3 6.320 -3.179 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 3 4.722 -3.256 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 3 4.737 -1.332 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.724 -1.443 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.146 -2.504 -8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.509 -3.200 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.314 -0.987 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.041 -2.725 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.711 -1.714 -5.014 1.00 0.00 H new ATOM 111 N ARG A 4 4.006 -5.380 -7.191 1.00 0.00 N ATOM 112 CA ARG A 4 3.182 -6.529 -7.545 1.00 0.00 C ATOM 113 C ARG A 4 3.217 -7.584 -6.443 1.00 0.00 C ATOM 114 O ARG A 4 2.175 -8.069 -6.002 1.00 0.00 O ATOM 115 CB ARG A 4 3.659 -7.138 -8.864 1.00 0.00 C ATOM 116 CG ARG A 4 3.609 -6.171 -10.036 1.00 0.00 C ATOM 117 CD ARG A 4 4.514 -6.623 -11.171 1.00 0.00 C ATOM 118 NE ARG A 4 4.013 -7.831 -11.822 1.00 0.00 N ATOM 119 CZ ARG A 4 2.949 -7.850 -12.617 1.00 0.00 C ATOM 120 NH1 ARG A 4 2.278 -6.732 -12.858 1.00 0.00 N ATOM 121 NH2 ARG A 4 2.555 -8.988 -13.173 1.00 0.00 N ATOM 0 H ARG A 4 4.809 -5.233 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 4 2.154 -6.185 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.682 -7.494 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.045 -8.008 -9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.584 -6.089 -10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.910 -5.178 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.600 -5.823 -11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 4 5.516 -6.809 -10.784 1.00 0.00 H new ATOM 0 HE ARG A 4 4.507 -8.708 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.579 -5.855 -12.433 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.461 -6.749 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 4 3.069 -9.850 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.738 -9.001 -13.783 1.00 0.00 H new ATOM 135 N ARG A 5 4.421 -7.934 -6.004 1.00 0.00 N ATOM 136 CA ARG A 5 4.592 -8.932 -4.955 1.00 0.00 C ATOM 137 C ARG A 5 3.903 -8.490 -3.667 1.00 0.00 C ATOM 138 O ARG A 5 3.453 -9.320 -2.875 1.00 0.00 O ATOM 139 CB ARG A 5 6.079 -9.177 -4.692 1.00 0.00 C ATOM 140 CG ARG A 5 6.690 -10.236 -5.594 1.00 0.00 C ATOM 141 CD ARG A 5 6.642 -9.818 -7.056 1.00 0.00 C ATOM 142 NE ARG A 5 7.459 -10.685 -7.900 1.00 0.00 N ATOM 143 CZ ARG A 5 8.785 -10.738 -7.834 1.00 0.00 C ATOM 144 NH1 ARG A 5 9.439 -9.978 -6.966 1.00 0.00 N ATOM 145 NH2 ARG A 5 9.459 -11.552 -8.636 1.00 0.00 N ATOM 0 H ARG A 5 5.293 -7.541 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 5 4.132 -9.861 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.622 -8.241 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.211 -9.477 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.724 -10.414 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.155 -11.177 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.610 -9.840 -7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.989 -8.789 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 5 6.986 -11.283 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.924 -9.351 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.457 -10.020 -6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.959 -12.138 -9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.477 -11.591 -8.584 1.00 0.00 H new ATOM 159 N LEU A 6 3.823 -7.180 -3.464 1.00 0.00 N ATOM 160 CA LEU A 6 3.189 -6.628 -2.272 1.00 0.00 C ATOM 161 C LEU A 6 1.721 -7.035 -2.198 1.00 0.00 C ATOM 162 O LEU A 6 0.889 -6.540 -2.958 1.00 0.00 O ATOM 163 CB LEU A 6 3.308 -5.103 -2.267 1.00 0.00 C ATOM 164 CG LEU A 6 4.720 -4.540 -2.096 1.00 0.00 C ATOM 165 CD1 LEU A 6 4.692 -3.020 -2.094 1.00 0.00 C ATOM 166 CD2 LEU A 6 5.352 -5.066 -0.816 1.00 0.00 C ATOM 0 H LEU A 6 4.189 -6.480 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 6 3.703 -7.029 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.898 -4.724 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.683 -4.712 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 6 5.327 -4.870 -2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.705 -2.638 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.281 -2.662 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.070 -2.669 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.356 -4.655 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.746 -4.766 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.408 -6.154 -0.858 1.00 0.00 H new ATOM 178 N LYS A 7 1.409 -7.939 -1.275 1.00 0.00 N ATOM 179 CA LYS A 7 0.041 -8.411 -1.098 1.00 0.00 C ATOM 180 C LYS A 7 -0.932 -7.240 -1.009 1.00 0.00 C ATOM 181 O LYS A 7 -0.523 -6.079 -1.018 1.00 0.00 O ATOM 182 CB LYS A 7 -0.064 -9.272 0.163 1.00 0.00 C ATOM 183 CG LYS A 7 0.267 -10.736 -0.070 1.00 0.00 C ATOM 184 CD LYS A 7 0.111 -11.552 1.202 1.00 0.00 C ATOM 185 CE LYS A 7 0.796 -12.905 1.083 1.00 0.00 C ATOM 186 NZ LYS A 7 1.125 -13.479 2.417 1.00 0.00 N ATOM 0 H LYS A 7 2.086 -8.359 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.223 -9.015 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.608 -8.873 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.076 -9.196 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.386 -11.139 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.289 -10.825 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.533 -11.002 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.948 -11.697 1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.148 -13.594 0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.709 -12.799 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.590 -14.401 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.764 -12.834 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.251 -13.604 2.966 1.00 0.00 H new ATOM 200 N VAL A 8 -2.221 -7.552 -0.923 1.00 0.00 N ATOM 201 CA VAL A 8 -3.252 -6.525 -0.830 1.00 0.00 C ATOM 202 C VAL A 8 -3.095 -5.703 0.444 1.00 0.00 C ATOM 203 O VAL A 8 -3.330 -4.496 0.449 1.00 0.00 O ATOM 204 CB VAL A 8 -4.663 -7.142 -0.860 1.00 0.00 C ATOM 205 CG1 VAL A 8 -4.777 -8.160 -1.984 1.00 0.00 C ATOM 206 CG2 VAL A 8 -4.994 -7.778 0.482 1.00 0.00 C ATOM 0 H VAL A 8 -2.576 -8.508 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.130 -5.874 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.385 -6.347 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.781 -8.585 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.585 -7.671 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.047 -8.955 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.994 -8.209 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.269 -8.562 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.956 -7.019 1.264 1.00 0.00 H new ATOM 216 N ASN A 9 -2.695 -6.366 1.524 1.00 0.00 N ATOM 217 CA ASN A 9 -2.507 -5.697 2.806 1.00 0.00 C ATOM 218 C ASN A 9 -1.337 -4.719 2.742 1.00 0.00 C ATOM 219 O ASN A 9 -1.409 -3.615 3.282 1.00 0.00 O ATOM 220 CB ASN A 9 -2.265 -6.726 3.912 1.00 0.00 C ATOM 221 CG ASN A 9 -1.244 -7.774 3.514 1.00 0.00 C ATOM 222 OD1 ASN A 9 -0.535 -7.619 2.520 1.00 0.00 O ATOM 223 ND2 ASN A 9 -1.166 -8.849 4.290 1.00 0.00 N ATOM 0 H ASN A 9 -2.495 -7.366 1.537 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.415 -5.137 3.032 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.924 -6.214 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -3.206 -7.216 4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.498 -9.588 4.071 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.774 -8.935 5.104 1.00 0.00 H new ATOM 230 N GLU A 10 -0.262 -5.133 2.079 1.00 0.00 N ATOM 231 CA GLU A 10 0.922 -4.293 1.945 1.00 0.00 C ATOM 232 C GLU A 10 0.602 -3.021 1.166 1.00 0.00 C ATOM 233 O GLU A 10 1.024 -1.926 1.542 1.00 0.00 O ATOM 234 CB GLU A 10 2.044 -5.063 1.246 1.00 0.00 C ATOM 235 CG GLU A 10 2.672 -6.142 2.112 1.00 0.00 C ATOM 236 CD GLU A 10 3.589 -5.575 3.178 1.00 0.00 C ATOM 237 OE1 GLU A 10 3.406 -4.398 3.552 1.00 0.00 O ATOM 238 OE2 GLU A 10 4.490 -6.308 3.638 1.00 0.00 O ATOM 0 H GLU A 10 -0.187 -6.044 1.627 1.00 0.00 H new ATOM 0 HA GLU A 10 1.252 -4.012 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.649 -5.521 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.818 -4.360 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.884 -6.724 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.236 -6.827 1.480 1.00 0.00 H new ATOM 245 N LEU A 11 -0.147 -3.172 0.079 1.00 0.00 N ATOM 246 CA LEU A 11 -0.524 -2.036 -0.755 1.00 0.00 C ATOM 247 C LEU A 11 -1.435 -1.080 0.008 1.00 0.00 C ATOM 248 O LEU A 11 -1.235 0.135 -0.016 1.00 0.00 O ATOM 249 CB LEU A 11 -1.225 -2.522 -2.025 1.00 0.00 C ATOM 250 CG LEU A 11 -0.454 -3.535 -2.872 1.00 0.00 C ATOM 251 CD1 LEU A 11 -1.397 -4.276 -3.808 1.00 0.00 C ATOM 252 CD2 LEU A 11 0.648 -2.844 -3.660 1.00 0.00 C ATOM 0 H LEU A 11 -0.505 -4.070 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 11 0.385 -1.501 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.179 -2.967 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.449 -1.655 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 11 0.007 -4.262 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.831 -4.993 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.149 -4.805 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.888 -3.562 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.186 -3.581 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.209 -2.094 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.340 -2.361 -2.970 1.00 0.00 H new ATOM 264 N ARG A 12 -2.433 -1.636 0.686 1.00 0.00 N ATOM 265 CA ARG A 12 -3.374 -0.832 1.458 1.00 0.00 C ATOM 266 C ARG A 12 -2.650 -0.041 2.543 1.00 0.00 C ATOM 267 O ARG A 12 -2.927 1.140 2.753 1.00 0.00 O ATOM 268 CB ARG A 12 -4.443 -1.725 2.089 1.00 0.00 C ATOM 269 CG ARG A 12 -5.606 -2.033 1.161 1.00 0.00 C ATOM 270 CD ARG A 12 -6.653 -2.897 1.847 1.00 0.00 C ATOM 271 NE ARG A 12 -7.962 -2.779 1.211 1.00 0.00 N ATOM 272 CZ ARG A 12 -8.271 -3.353 0.053 1.00 0.00 C ATOM 273 NH1 ARG A 12 -7.370 -4.082 -0.590 1.00 0.00 N ATOM 274 NH2 ARG A 12 -9.484 -3.200 -0.462 1.00 0.00 N ATOM 0 H ARG A 12 -2.611 -2.640 0.717 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.854 -0.128 0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.982 -2.662 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.825 -1.240 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.063 -1.101 0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.238 -2.544 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.333 -3.939 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.732 -2.608 2.895 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.678 -2.226 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.437 -4.203 -0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.610 -4.522 -1.479 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.181 -2.641 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.720 -3.641 -1.351 1.00 0.00 H new ATOM 288 N GLU A 13 -1.723 -0.701 3.230 1.00 0.00 N ATOM 289 CA GLU A 13 -0.961 -0.058 4.295 1.00 0.00 C ATOM 290 C GLU A 13 -0.075 1.052 3.737 1.00 0.00 C ATOM 291 O GLU A 13 -0.017 2.149 4.289 1.00 0.00 O ATOM 292 CB GLU A 13 -0.103 -1.089 5.032 1.00 0.00 C ATOM 293 CG GLU A 13 -0.903 -2.018 5.929 1.00 0.00 C ATOM 294 CD GLU A 13 -0.023 -2.954 6.734 1.00 0.00 C ATOM 295 OE1 GLU A 13 0.454 -3.958 6.165 1.00 0.00 O ATOM 296 OE2 GLU A 13 0.190 -2.681 7.934 1.00 0.00 O ATOM 0 H GLU A 13 -1.482 -1.679 3.069 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.668 0.384 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.442 -1.685 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.640 -0.567 5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.513 -1.424 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.588 -2.606 5.318 1.00 0.00 H new ATOM 303 N GLU A 14 0.614 0.755 2.639 1.00 0.00 N ATOM 304 CA GLU A 14 1.498 1.728 2.007 1.00 0.00 C ATOM 305 C GLU A 14 0.722 2.970 1.578 1.00 0.00 C ATOM 306 O GLU A 14 1.128 4.098 1.861 1.00 0.00 O ATOM 307 CB GLU A 14 2.195 1.105 0.796 1.00 0.00 C ATOM 308 CG GLU A 14 3.432 0.297 1.155 1.00 0.00 C ATOM 309 CD GLU A 14 4.386 1.060 2.054 1.00 0.00 C ATOM 310 OE1 GLU A 14 4.867 2.133 1.635 1.00 0.00 O ATOM 311 OE2 GLU A 14 4.651 0.582 3.177 1.00 0.00 O ATOM 0 H GLU A 14 0.577 -0.150 2.170 1.00 0.00 H new ATOM 0 HA GLU A 14 2.251 2.025 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.489 0.460 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.477 1.897 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.128 -0.624 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.952 0.009 0.241 1.00 0.00 H new ATOM 318 N LEU A 15 -0.395 2.754 0.892 1.00 0.00 N ATOM 319 CA LEU A 15 -1.228 3.856 0.422 1.00 0.00 C ATOM 320 C LEU A 15 -1.667 4.741 1.584 1.00 0.00 C ATOM 321 O LEU A 15 -1.687 5.966 1.469 1.00 0.00 O ATOM 322 CB LEU A 15 -2.456 3.314 -0.313 1.00 0.00 C ATOM 323 CG LEU A 15 -2.182 2.568 -1.619 1.00 0.00 C ATOM 324 CD1 LEU A 15 -3.416 1.798 -2.064 1.00 0.00 C ATOM 325 CD2 LEU A 15 -1.736 3.538 -2.704 1.00 0.00 C ATOM 0 H LEU A 15 -0.745 1.827 0.649 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.636 4.459 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.990 2.643 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.124 4.148 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.377 1.854 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.201 1.274 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.691 1.075 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.241 2.493 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.545 2.990 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.519 4.276 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.824 4.044 -2.387 1.00 0.00 H new ATOM 337 N GLN A 16 -2.015 4.113 2.702 1.00 0.00 N ATOM 338 CA GLN A 16 -2.451 4.845 3.885 1.00 0.00 C ATOM 339 C GLN A 16 -1.336 5.742 4.412 1.00 0.00 C ATOM 340 O GLN A 16 -1.577 6.885 4.801 1.00 0.00 O ATOM 341 CB GLN A 16 -2.896 3.871 4.977 1.00 0.00 C ATOM 342 CG GLN A 16 -4.374 3.518 4.912 1.00 0.00 C ATOM 343 CD GLN A 16 -4.698 2.229 5.641 1.00 0.00 C ATOM 344 OE1 GLN A 16 -4.050 1.880 6.628 1.00 0.00 O ATOM 345 NE2 GLN A 16 -5.706 1.513 5.157 1.00 0.00 N ATOM 0 H GLN A 16 -2.004 3.099 2.814 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.295 5.474 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.309 2.956 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.677 4.307 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.957 4.332 5.343 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.677 3.427 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.216 1.840 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.970 0.636 5.606 1.00 0.00 H new ATOM 354 N ARG A 17 -0.115 5.217 4.422 1.00 0.00 N ATOM 355 CA ARG A 17 1.037 5.971 4.902 1.00 0.00 C ATOM 356 C ARG A 17 1.270 7.212 4.046 1.00 0.00 C ATOM 357 O ARG A 17 1.590 8.283 4.562 1.00 0.00 O ATOM 358 CB ARG A 17 2.288 5.090 4.895 1.00 0.00 C ATOM 359 CG ARG A 17 3.499 5.748 5.537 1.00 0.00 C ATOM 360 CD ARG A 17 4.565 4.724 5.893 1.00 0.00 C ATOM 361 NE ARG A 17 4.383 4.190 7.240 1.00 0.00 N ATOM 362 CZ ARG A 17 5.332 3.545 7.910 1.00 0.00 C ATOM 363 NH1 ARG A 17 6.524 3.356 7.360 1.00 0.00 N ATOM 364 NH2 ARG A 17 5.090 3.089 9.132 1.00 0.00 N ATOM 0 H ARG A 17 0.102 4.273 4.103 1.00 0.00 H new ATOM 0 HA ARG A 17 0.831 6.290 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.070 4.160 5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.531 4.827 3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.917 6.488 4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.191 6.282 6.436 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.538 3.907 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.550 5.184 5.816 1.00 0.00 H new ATOM 0 HE ARG A 17 3.477 4.319 7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.714 3.706 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.251 2.861 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.175 3.233 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.819 2.594 9.645 1.00 0.00 H new ATOM 378 N ARG A 18 1.108 7.060 2.736 1.00 0.00 N ATOM 379 CA ARG A 18 1.302 8.167 1.808 1.00 0.00 C ATOM 380 C ARG A 18 0.097 9.103 1.818 1.00 0.00 C ATOM 381 O ARG A 18 0.226 10.301 1.568 1.00 0.00 O ATOM 382 CB ARG A 18 1.540 7.639 0.392 1.00 0.00 C ATOM 383 CG ARG A 18 2.971 7.196 0.139 1.00 0.00 C ATOM 384 CD ARG A 18 3.209 6.893 -1.332 1.00 0.00 C ATOM 385 NE ARG A 18 4.613 7.051 -1.703 1.00 0.00 N ATOM 386 CZ ARG A 18 5.560 6.175 -1.387 1.00 0.00 C ATOM 387 NH1 ARG A 18 5.255 5.085 -0.697 1.00 0.00 N ATOM 388 NH2 ARG A 18 6.815 6.389 -1.761 1.00 0.00 N ATOM 0 H ARG A 18 0.843 6.180 2.293 1.00 0.00 H new ATOM 0 HA ARG A 18 2.179 8.728 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.871 6.798 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.277 8.417 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.658 7.976 0.467 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.189 6.309 0.734 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.889 5.874 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.596 7.556 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 18 4.881 7.880 -2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.291 4.918 -0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.984 4.414 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.053 7.227 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.542 5.716 -1.518 1.00 0.00 H new ATOM 402 N GLY A 19 -1.076 8.547 2.108 1.00 0.00 N ATOM 403 CA GLY A 19 -2.287 9.345 2.145 1.00 0.00 C ATOM 404 C GLY A 19 -3.114 9.201 0.883 1.00 0.00 C ATOM 405 O GLY A 19 -3.913 10.078 0.551 1.00 0.00 O ATOM 0 H GLY A 19 -1.209 7.558 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.888 9.049 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.024 10.393 2.286 1.00 0.00 H new ATOM 409 N LEU A 20 -2.924 8.092 0.176 1.00 0.00 N ATOM 410 CA LEU A 20 -3.659 7.836 -1.058 1.00 0.00 C ATOM 411 C LEU A 20 -4.819 6.877 -0.812 1.00 0.00 C ATOM 412 O LEU A 20 -4.747 6.010 0.059 1.00 0.00 O ATOM 413 CB LEU A 20 -2.723 7.259 -2.121 1.00 0.00 C ATOM 414 CG LEU A 20 -1.522 8.127 -2.500 1.00 0.00 C ATOM 415 CD1 LEU A 20 -0.555 7.347 -3.377 1.00 0.00 C ATOM 416 CD2 LEU A 20 -1.981 9.394 -3.206 1.00 0.00 C ATOM 0 H LEU A 20 -2.267 7.356 0.436 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.064 8.783 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.353 6.297 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.305 7.065 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.002 8.412 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.293 7.981 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.200 6.470 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.064 7.031 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.113 9.999 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.525 9.129 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.634 9.963 -2.544 1.00 0.00 H new ATOM 428 N ASP A 21 -5.887 7.038 -1.586 1.00 0.00 N ATOM 429 CA ASP A 21 -7.062 6.184 -1.455 1.00 0.00 C ATOM 430 C ASP A 21 -6.663 4.712 -1.419 1.00 0.00 C ATOM 431 O ASP A 21 -5.695 4.304 -2.060 1.00 0.00 O ATOM 432 CB ASP A 21 -8.032 6.434 -2.611 1.00 0.00 C ATOM 433 CG ASP A 21 -9.475 6.180 -2.221 1.00 0.00 C ATOM 434 OD1 ASP A 21 -9.704 5.406 -1.269 1.00 0.00 O ATOM 435 OD2 ASP A 21 -10.375 6.756 -2.868 1.00 0.00 O ATOM 0 H ASP A 21 -5.963 7.752 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.557 6.431 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.927 7.463 -2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.767 5.790 -3.450 1.00 0.00 H new ATOM 440 N THR A 22 -7.416 3.919 -0.663 1.00 0.00 N ATOM 441 CA THR A 22 -7.140 2.493 -0.540 1.00 0.00 C ATOM 442 C THR A 22 -8.328 1.661 -1.009 1.00 0.00 C ATOM 443 O THR A 22 -8.475 0.500 -0.626 1.00 0.00 O ATOM 444 CB THR A 22 -6.800 2.109 0.912 1.00 0.00 C ATOM 445 OG1 THR A 22 -7.634 2.838 1.819 1.00 0.00 O ATOM 446 CG2 THR A 22 -5.337 2.393 1.219 1.00 0.00 C ATOM 0 H THR A 22 -8.222 4.240 -0.127 1.00 0.00 H new ATOM 0 HA THR A 22 -6.279 2.282 -1.174 1.00 0.00 H new ATOM 0 HB THR A 22 -6.979 1.041 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.413 2.587 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.121 2.114 2.250 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.705 1.814 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.136 3.455 1.081 1.00 0.00 H new ATOM 454 N ARG A 23 -9.173 2.261 -1.841 1.00 0.00 N ATOM 455 CA ARG A 23 -10.349 1.574 -2.362 1.00 0.00 C ATOM 456 C ARG A 23 -10.020 0.840 -3.659 1.00 0.00 C ATOM 457 O ARG A 23 -9.017 1.128 -4.310 1.00 0.00 O ATOM 458 CB ARG A 23 -11.483 2.572 -2.603 1.00 0.00 C ATOM 459 CG ARG A 23 -12.032 3.190 -1.327 1.00 0.00 C ATOM 460 CD ARG A 23 -13.142 4.186 -1.623 1.00 0.00 C ATOM 461 NE ARG A 23 -12.618 5.515 -1.930 1.00 0.00 N ATOM 462 CZ ARG A 23 -13.283 6.422 -2.637 1.00 0.00 C ATOM 463 NH1 ARG A 23 -14.492 6.145 -3.106 1.00 0.00 N ATOM 464 NH2 ARG A 23 -12.740 7.609 -2.874 1.00 0.00 N ATOM 0 H ARG A 23 -9.065 3.221 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.669 0.842 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.123 3.367 -3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.293 2.068 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.412 2.404 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.227 3.690 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.736 3.827 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.811 4.249 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.691 5.760 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.913 5.234 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.001 6.843 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.811 7.826 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.252 8.305 -3.417 1.00 0.00 H new ATOM 478 N GLY A 24 -10.872 -0.112 -4.026 1.00 0.00 N ATOM 479 CA GLY A 24 -10.655 -0.874 -5.242 1.00 0.00 C ATOM 480 C GLY A 24 -10.031 -2.229 -4.974 1.00 0.00 C ATOM 481 O GLY A 24 -9.932 -2.659 -3.823 1.00 0.00 O ATOM 0 H GLY A 24 -11.709 -0.369 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.606 -1.011 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.010 -0.306 -5.912 1.00 0.00 H new ATOM 485 N LEU A 25 -9.610 -2.906 -6.036 1.00 0.00 N ATOM 486 CA LEU A 25 -8.993 -4.222 -5.911 1.00 0.00 C ATOM 487 C LEU A 25 -7.474 -4.107 -5.844 1.00 0.00 C ATOM 488 O LEU A 25 -6.918 -3.013 -5.944 1.00 0.00 O ATOM 489 CB LEU A 25 -9.398 -5.111 -7.088 1.00 0.00 C ATOM 490 CG LEU A 25 -10.901 -5.281 -7.315 1.00 0.00 C ATOM 491 CD1 LEU A 25 -11.189 -5.574 -8.779 1.00 0.00 C ATOM 492 CD2 LEU A 25 -11.452 -6.389 -6.429 1.00 0.00 C ATOM 0 H LEU A 25 -9.685 -2.565 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.345 -4.675 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.958 -4.700 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.959 -6.098 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.398 -4.348 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.263 -5.692 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.830 -4.748 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.681 -6.492 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.523 -6.496 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.950 -7.327 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.278 -6.138 -5.383 1.00 0.00 H new ATOM 504 N LYS A 26 -6.806 -5.244 -5.678 1.00 0.00 N ATOM 505 CA LYS A 26 -5.351 -5.274 -5.602 1.00 0.00 C ATOM 506 C LYS A 26 -4.729 -4.574 -6.806 1.00 0.00 C ATOM 507 O LYS A 26 -3.813 -3.765 -6.661 1.00 0.00 O ATOM 508 CB LYS A 26 -4.853 -6.719 -5.524 1.00 0.00 C ATOM 509 CG LYS A 26 -3.367 -6.835 -5.231 1.00 0.00 C ATOM 510 CD LYS A 26 -2.873 -8.261 -5.408 1.00 0.00 C ATOM 511 CE LYS A 26 -1.378 -8.303 -5.687 1.00 0.00 C ATOM 512 NZ LYS A 26 -0.821 -9.674 -5.519 1.00 0.00 N ATOM 0 H LYS A 26 -7.251 -6.158 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.048 -4.743 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.410 -7.245 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.069 -7.220 -6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.812 -6.172 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.169 -6.505 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.093 -8.837 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.411 -8.734 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.188 -7.956 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.864 -7.617 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.200 -9.661 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.979 -9.996 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.294 -10.324 -6.179 1.00 0.00 H new ATOM 526 N ALA A 27 -5.233 -4.891 -7.994 1.00 0.00 N ATOM 527 CA ALA A 27 -4.729 -4.291 -9.223 1.00 0.00 C ATOM 528 C ALA A 27 -4.882 -2.774 -9.195 1.00 0.00 C ATOM 529 O ALA A 27 -3.975 -2.043 -9.593 1.00 0.00 O ATOM 530 CB ALA A 27 -5.450 -4.874 -10.430 1.00 0.00 C ATOM 0 H ALA A 27 -5.990 -5.560 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.667 -4.522 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.063 -4.417 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.286 -5.951 -10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.518 -4.673 -10.348 1.00 0.00 H new ATOM 536 N GLU A 28 -6.034 -2.308 -8.723 1.00 0.00 N ATOM 537 CA GLU A 28 -6.304 -0.877 -8.646 1.00 0.00 C ATOM 538 C GLU A 28 -5.334 -0.191 -7.689 1.00 0.00 C ATOM 539 O GLU A 28 -4.810 0.885 -7.982 1.00 0.00 O ATOM 540 CB GLU A 28 -7.745 -0.632 -8.192 1.00 0.00 C ATOM 541 CG GLU A 28 -8.783 -0.994 -9.240 1.00 0.00 C ATOM 542 CD GLU A 28 -8.972 0.098 -10.276 1.00 0.00 C ATOM 543 OE1 GLU A 28 -8.821 1.285 -9.920 1.00 0.00 O ATOM 544 OE2 GLU A 28 -9.270 -0.235 -11.442 1.00 0.00 O ATOM 0 H GLU A 28 -6.794 -2.900 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.166 -0.453 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.936 -1.211 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.860 0.419 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.484 -1.915 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.736 -1.193 -8.749 1.00 0.00 H new ATOM 551 N LEU A 29 -5.098 -0.820 -6.543 1.00 0.00 N ATOM 552 CA LEU A 29 -4.191 -0.271 -5.541 1.00 0.00 C ATOM 553 C LEU A 29 -2.752 -0.278 -6.047 1.00 0.00 C ATOM 554 O LEU A 29 -1.995 0.661 -5.805 1.00 0.00 O ATOM 555 CB LEU A 29 -4.290 -1.072 -4.241 1.00 0.00 C ATOM 556 CG LEU A 29 -5.682 -1.165 -3.614 1.00 0.00 C ATOM 557 CD1 LEU A 29 -5.697 -2.198 -2.499 1.00 0.00 C ATOM 558 CD2 LEU A 29 -6.122 0.194 -3.090 1.00 0.00 C ATOM 0 H LEU A 29 -5.522 -1.711 -6.284 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.484 0.761 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.931 -2.083 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.614 -0.627 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.386 -1.481 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.695 -2.250 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.425 -3.173 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.981 -1.912 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.114 0.109 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.416 0.539 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.151 0.909 -3.912 1.00 0.00 H new ATOM 570 N ALA A 30 -2.384 -1.342 -6.753 1.00 0.00 N ATOM 571 CA ALA A 30 -1.037 -1.468 -7.297 1.00 0.00 C ATOM 572 C ALA A 30 -0.752 -0.371 -8.317 1.00 0.00 C ATOM 573 O ALA A 30 0.293 0.277 -8.268 1.00 0.00 O ATOM 574 CB ALA A 30 -0.850 -2.840 -7.928 1.00 0.00 C ATOM 0 H ALA A 30 -2.999 -2.129 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.328 -1.357 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.160 -2.921 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.003 -3.611 -7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.573 -2.972 -8.733 1.00 0.00 H new ATOM 580 N GLU A 31 -1.688 -0.170 -9.240 1.00 0.00 N ATOM 581 CA GLU A 31 -1.534 0.849 -10.272 1.00 0.00 C ATOM 582 C GLU A 31 -1.468 2.243 -9.655 1.00 0.00 C ATOM 583 O GLU A 31 -0.687 3.089 -10.091 1.00 0.00 O ATOM 584 CB GLU A 31 -2.693 0.775 -11.269 1.00 0.00 C ATOM 585 CG GLU A 31 -2.770 -0.546 -12.015 1.00 0.00 C ATOM 586 CD GLU A 31 -1.623 -0.734 -12.989 1.00 0.00 C ATOM 587 OE1 GLU A 31 -1.036 0.282 -13.416 1.00 0.00 O ATOM 588 OE2 GLU A 31 -1.313 -1.896 -13.323 1.00 0.00 O ATOM 0 H GLU A 31 -2.559 -0.698 -9.294 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.598 0.659 -10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.630 0.937 -10.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.592 1.585 -11.991 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.769 -1.365 -11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.714 -0.598 -12.557 1.00 0.00 H new ATOM 595 N ARG A 32 -2.292 2.474 -8.639 1.00 0.00 N ATOM 596 CA ARG A 32 -2.329 3.765 -7.963 1.00 0.00 C ATOM 597 C ARG A 32 -1.057 3.990 -7.151 1.00 0.00 C ATOM 598 O ARG A 32 -0.486 5.082 -7.159 1.00 0.00 O ATOM 599 CB ARG A 32 -3.553 3.852 -7.049 1.00 0.00 C ATOM 600 CG ARG A 32 -3.335 4.719 -5.820 1.00 0.00 C ATOM 601 CD ARG A 32 -4.512 4.633 -4.861 1.00 0.00 C ATOM 602 NE ARG A 32 -5.514 5.661 -5.131 1.00 0.00 N ATOM 603 CZ ARG A 32 -6.475 5.530 -6.039 1.00 0.00 C ATOM 604 NH1 ARG A 32 -6.563 4.421 -6.760 1.00 0.00 N ATOM 605 NH2 ARG A 32 -7.350 6.510 -6.226 1.00 0.00 N ATOM 0 H ARG A 32 -2.943 1.784 -8.265 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.396 4.543 -8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.394 4.248 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.830 2.847 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.425 4.405 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.188 5.755 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.973 3.648 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.153 4.736 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.474 6.527 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.892 3.666 -6.618 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.302 4.323 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.285 7.364 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.088 6.409 -6.923 1.00 0.00 H new ATOM 619 N LEU A 33 -0.618 2.951 -6.449 1.00 0.00 N ATOM 620 CA LEU A 33 0.586 3.034 -5.630 1.00 0.00 C ATOM 621 C LEU A 33 1.816 3.289 -6.496 1.00 0.00 C ATOM 622 O LEU A 33 2.644 4.142 -6.178 1.00 0.00 O ATOM 623 CB LEU A 33 0.771 1.745 -4.828 1.00 0.00 C ATOM 624 CG LEU A 33 2.042 1.658 -3.981 1.00 0.00 C ATOM 625 CD1 LEU A 33 2.050 2.745 -2.918 1.00 0.00 C ATOM 626 CD2 LEU A 33 2.163 0.283 -3.341 1.00 0.00 C ATOM 0 H LEU A 33 -1.078 2.041 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 33 0.470 3.870 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.089 1.624 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.763 0.905 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 33 2.902 1.810 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.961 2.668 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.011 3.723 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.183 2.625 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.073 0.239 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.299 0.102 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.204 -0.478 -4.120 1.00 0.00 H new ATOM 638 N GLN A 34 1.928 2.544 -7.591 1.00 0.00 N ATOM 639 CA GLN A 34 3.056 2.690 -8.502 1.00 0.00 C ATOM 640 C GLN A 34 3.132 4.112 -9.050 1.00 0.00 C ATOM 641 O GLN A 34 4.219 4.660 -9.232 1.00 0.00 O ATOM 642 CB GLN A 34 2.940 1.692 -9.656 1.00 0.00 C ATOM 643 CG GLN A 34 4.191 1.608 -10.515 1.00 0.00 C ATOM 644 CD GLN A 34 5.464 1.592 -9.692 1.00 0.00 C ATOM 645 OE1 GLN A 34 5.809 0.426 -9.157 1.00 0.00 O flip ATOM 646 NE2 GLN A 34 6.131 2.615 -9.540 1.00 0.00 N flip ATOM 0 H GLN A 34 1.251 1.833 -7.868 1.00 0.00 H new ATOM 0 HA GLN A 34 3.970 2.485 -7.944 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.721 0.704 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.095 1.973 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.147 0.707 -11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.215 2.457 -11.199 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.829 3.489 -9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.986 2.588 -8.985 1.00 0.00 H new ATOM 655 N ALA A 35 1.971 4.703 -9.311 1.00 0.00 N ATOM 656 CA ALA A 35 1.907 6.061 -9.836 1.00 0.00 C ATOM 657 C ALA A 35 2.585 7.048 -8.891 1.00 0.00 C ATOM 658 O ALA A 35 3.260 7.978 -9.331 1.00 0.00 O ATOM 659 CB ALA A 35 0.460 6.466 -10.076 1.00 0.00 C ATOM 0 H ALA A 35 1.062 4.263 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 35 2.441 6.083 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.427 7.483 -10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.006 5.785 -10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.091 6.421 -9.137 1.00 0.00 H new ATOM 665 N ALA A 36 2.400 6.839 -7.592 1.00 0.00 N ATOM 666 CA ALA A 36 2.995 7.709 -6.586 1.00 0.00 C ATOM 667 C ALA A 36 4.493 7.455 -6.456 1.00 0.00 C ATOM 668 O ALA A 36 5.280 8.388 -6.293 1.00 0.00 O ATOM 669 CB ALA A 36 2.306 7.511 -5.243 1.00 0.00 C ATOM 0 H ALA A 36 1.842 6.074 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 36 2.855 8.741 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.761 8.167 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.247 7.750 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.417 6.474 -4.927 1.00 0.00 H new ATOM 675 N LEU A 37 4.881 6.186 -6.529 1.00 0.00 N ATOM 676 CA LEU A 37 6.286 5.809 -6.419 1.00 0.00 C ATOM 677 C LEU A 37 7.101 6.407 -7.561 1.00 0.00 C ATOM 678 O LEU A 37 8.193 6.934 -7.348 1.00 0.00 O ATOM 679 CB LEU A 37 6.427 4.286 -6.420 1.00 0.00 C ATOM 680 CG LEU A 37 5.982 3.570 -5.145 1.00 0.00 C ATOM 681 CD1 LEU A 37 5.771 2.087 -5.410 1.00 0.00 C ATOM 682 CD2 LEU A 37 7.004 3.774 -4.035 1.00 0.00 C ATOM 0 H LEU A 37 4.243 5.402 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 37 6.670 6.203 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.851 3.888 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.472 4.038 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 37 5.033 3.999 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.455 1.595 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.003 1.959 -6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.704 1.643 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.671 3.258 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.967 3.372 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.106 4.839 -3.826 1.00 0.00 H new ATOM 694 N SER A 38 6.563 6.323 -8.773 1.00 0.00 N ATOM 695 CA SER A 38 7.241 6.855 -9.950 1.00 0.00 C ATOM 696 C SER A 38 8.015 8.123 -9.603 1.00 0.00 C ATOM 697 O SER A 38 9.166 8.291 -10.006 1.00 0.00 O ATOM 698 CB SER A 38 6.229 7.149 -11.059 1.00 0.00 C ATOM 699 OG SER A 38 6.883 7.494 -12.268 1.00 0.00 O ATOM 0 H SER A 38 5.659 5.892 -8.966 1.00 0.00 H new ATOM 0 HA SER A 38 7.947 6.103 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.597 6.275 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.574 7.964 -10.751 1.00 0.00 H new ATOM 0 HG SER A 38 6.215 7.676 -12.961 1.00 0.00 H new ATOM 705 N GLY A 39 7.374 9.014 -8.853 1.00 0.00 N ATOM 706 CA GLY A 39 8.017 10.256 -8.464 1.00 0.00 C ATOM 707 C GLY A 39 7.946 10.503 -6.971 1.00 0.00 C ATOM 708 O GLY A 39 7.361 9.724 -6.218 1.00 0.00 O ATOM 0 H GLY A 39 6.421 8.898 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.061 10.234 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.545 11.086 -8.989 1.00 0.00 H new ATOM 712 N PRO A 40 8.553 11.611 -6.520 1.00 0.00 N ATOM 713 CA PRO A 40 8.571 11.984 -5.103 1.00 0.00 C ATOM 714 C PRO A 40 7.197 12.414 -4.599 1.00 0.00 C ATOM 715 O PRO A 40 6.801 13.569 -4.759 1.00 0.00 O ATOM 716 CB PRO A 40 9.550 13.160 -5.057 1.00 0.00 C ATOM 717 CG PRO A 40 9.507 13.741 -6.428 1.00 0.00 C ATOM 718 CD PRO A 40 9.269 12.586 -7.361 1.00 0.00 C ATOM 0 HA PRO A 40 8.858 11.148 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.254 13.893 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.556 12.828 -4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.712 14.481 -6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.442 14.249 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.676 12.883 -8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.205 12.177 -7.742 1.00 0.00 H new ATOM 726 N SER A 41 6.476 11.479 -3.990 1.00 0.00 N ATOM 727 CA SER A 41 5.144 11.761 -3.466 1.00 0.00 C ATOM 728 C SER A 41 5.198 12.861 -2.410 1.00 0.00 C ATOM 729 O SER A 41 5.575 12.618 -1.264 1.00 0.00 O ATOM 730 CB SER A 41 4.529 10.494 -2.868 1.00 0.00 C ATOM 731 OG SER A 41 3.317 10.785 -2.195 1.00 0.00 O ATOM 0 H SER A 41 6.791 10.520 -3.847 1.00 0.00 H new ATOM 0 HA SER A 41 4.521 12.104 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.344 9.767 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.234 10.037 -2.173 1.00 0.00 H new ATOM 0 HG SER A 41 2.943 9.959 -1.823 1.00 0.00 H new ATOM 737 N SER A 42 4.819 14.072 -2.806 1.00 0.00 N ATOM 738 CA SER A 42 4.827 15.211 -1.896 1.00 0.00 C ATOM 739 C SER A 42 3.453 15.871 -1.840 1.00 0.00 C ATOM 740 O SER A 42 2.577 15.579 -2.653 1.00 0.00 O ATOM 741 CB SER A 42 5.878 16.233 -2.334 1.00 0.00 C ATOM 742 OG SER A 42 7.170 15.651 -2.372 1.00 0.00 O ATOM 0 H SER A 42 4.503 14.289 -3.751 1.00 0.00 H new ATOM 0 HA SER A 42 5.077 14.847 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.622 16.623 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.877 17.079 -1.646 1.00 0.00 H new ATOM 0 HG SER A 42 7.207 14.984 -3.089 1.00 0.00 H new ATOM 748 N GLY A 43 3.271 16.765 -0.872 1.00 0.00 N ATOM 749 CA GLY A 43 2.002 17.453 -0.726 1.00 0.00 C ATOM 750 C GLY A 43 2.165 18.957 -0.634 1.00 0.00 C ATOM 751 O GLY A 43 3.268 19.456 -0.412 1.00 0.00 O ATOM 0 H GLY A 43 3.980 17.025 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.362 17.211 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.496 17.090 0.169 1.00 0.00 H new TER 755 GLY A 43