USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 753 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 GLY N :NH3+ -171:sc= -0.0523 (180deg=-0.153) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0363 (180deg=-0.336) USER MOD Single : A 22 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.7) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 0.929 (180deg=0.788) USER MOD Single : A 35 SER OG : rot 66:sc= 1.26 USER MOD Single : A 37 SER OG : rot 180:sc= -0.229 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -108:sc= 0.97 (180deg=-0.0281) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0.00376 (180deg=0) USER MOD Single : A 66 MET CE :methyl -153:sc= -0.209 (180deg=-1.9) USER MOD Single : A 69 MET CE :methyl -117:sc= -0.847 (180deg=-3.05!) USER MOD Single : A 70 ASN : amide:sc= -0.355 K(o=-0.35,f=-1.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0694 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.055 10.718 4.435 1.00 0.00 N ATOM 2 CA GLY A 1 -15.083 9.969 3.193 1.00 0.00 C ATOM 3 C GLY A 1 -15.328 8.489 3.413 1.00 0.00 C ATOM 4 O GLY A 1 -15.774 7.786 2.507 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.038 11.737 4.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.902 10.494 4.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.205 10.461 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.864 10.371 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.136 10.103 2.670 1.00 0.00 H new ATOM 8 N SER A 2 -15.036 8.016 4.621 1.00 0.00 N ATOM 9 CA SER A 2 -15.221 6.609 4.955 1.00 0.00 C ATOM 10 C SER A 2 -16.356 6.435 5.961 1.00 0.00 C ATOM 11 O SER A 2 -17.388 5.839 5.653 1.00 0.00 O ATOM 12 CB SER A 2 -13.928 6.023 5.523 1.00 0.00 C ATOM 13 OG SER A 2 -13.312 6.925 6.426 1.00 0.00 O ATOM 0 H SER A 2 -14.671 8.586 5.384 1.00 0.00 H new ATOM 0 HA SER A 2 -15.482 6.075 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.144 5.084 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.241 5.793 4.709 1.00 0.00 H new ATOM 0 HG SER A 2 -12.488 6.526 6.776 1.00 0.00 H new ATOM 19 N SER A 3 -16.157 6.963 7.165 1.00 0.00 N ATOM 20 CA SER A 3 -17.160 6.864 8.218 1.00 0.00 C ATOM 21 C SER A 3 -16.807 7.771 9.393 1.00 0.00 C ATOM 22 O SER A 3 -17.515 8.735 9.683 1.00 0.00 O ATOM 23 CB SER A 3 -17.286 5.417 8.698 1.00 0.00 C ATOM 24 OG SER A 3 -17.616 5.362 10.075 1.00 0.00 O ATOM 0 H SER A 3 -15.310 7.464 7.435 1.00 0.00 H new ATOM 0 HA SER A 3 -18.116 7.188 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.052 4.903 8.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.348 4.890 8.525 1.00 0.00 H new ATOM 0 HG SER A 3 -17.692 4.426 10.356 1.00 0.00 H new ATOM 30 N GLY A 4 -15.703 7.457 10.065 1.00 0.00 N ATOM 31 CA GLY A 4 -15.275 8.253 11.200 1.00 0.00 C ATOM 32 C GLY A 4 -14.149 9.205 10.847 1.00 0.00 C ATOM 33 O GLY A 4 -13.746 9.298 9.688 1.00 0.00 O ATOM 0 H GLY A 4 -15.098 6.666 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.123 8.823 11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.949 7.591 12.002 1.00 0.00 H new ATOM 37 N SER A 5 -13.640 9.914 11.850 1.00 0.00 N ATOM 38 CA SER A 5 -12.557 10.868 11.639 1.00 0.00 C ATOM 39 C SER A 5 -12.900 11.838 10.513 1.00 0.00 C ATOM 40 O SER A 5 -12.533 11.621 9.358 1.00 0.00 O ATOM 41 CB SER A 5 -11.256 10.131 11.315 1.00 0.00 C ATOM 42 OG SER A 5 -11.162 8.917 12.041 1.00 0.00 O ATOM 0 H SER A 5 -13.960 9.846 12.816 1.00 0.00 H new ATOM 0 HA SER A 5 -12.423 11.438 12.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.209 9.923 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.404 10.768 11.554 1.00 0.00 H new ATOM 0 HG SER A 5 -10.323 8.465 11.815 1.00 0.00 H new ATOM 48 N SER A 6 -13.605 12.910 10.859 1.00 0.00 N ATOM 49 CA SER A 6 -14.001 13.913 9.878 1.00 0.00 C ATOM 50 C SER A 6 -12.808 14.770 9.464 1.00 0.00 C ATOM 51 O SER A 6 -11.911 15.033 10.264 1.00 0.00 O ATOM 52 CB SER A 6 -15.110 14.802 10.445 1.00 0.00 C ATOM 53 OG SER A 6 -15.373 15.900 9.588 1.00 0.00 O ATOM 0 H SER A 6 -13.914 13.106 11.811 1.00 0.00 H new ATOM 0 HA SER A 6 -14.376 13.394 8.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.019 14.215 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.820 15.167 11.430 1.00 0.00 H new ATOM 0 HG SER A 6 -16.086 16.451 9.972 1.00 0.00 H new ATOM 59 N GLY A 7 -12.806 15.204 8.207 1.00 0.00 N ATOM 60 CA GLY A 7 -11.719 16.026 7.708 1.00 0.00 C ATOM 61 C GLY A 7 -11.995 16.571 6.321 1.00 0.00 C ATOM 62 O GLY A 7 -13.139 16.583 5.868 1.00 0.00 O ATOM 0 H GLY A 7 -13.538 15.001 7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.550 16.856 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.802 15.437 7.688 1.00 0.00 H new ATOM 66 N ASP A 8 -10.944 17.022 5.646 1.00 0.00 N ATOM 67 CA ASP A 8 -11.077 17.571 4.302 1.00 0.00 C ATOM 68 C ASP A 8 -10.188 16.819 3.316 1.00 0.00 C ATOM 69 O ASP A 8 -9.200 16.188 3.692 1.00 0.00 O ATOM 70 CB ASP A 8 -10.720 19.059 4.296 1.00 0.00 C ATOM 71 CG ASP A 8 -11.945 19.948 4.377 1.00 0.00 C ATOM 72 OD1 ASP A 8 -12.986 19.577 3.796 1.00 0.00 O ATOM 73 OD2 ASP A 8 -11.862 21.016 5.021 1.00 0.00 O ATOM 0 H ASP A 8 -9.990 17.018 6.008 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.115 17.453 3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.061 19.275 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.164 19.293 3.388 1.00 0.00 H new ATOM 78 N PRO A 9 -10.546 16.886 2.024 1.00 0.00 N ATOM 79 CA PRO A 9 -9.793 16.217 0.960 1.00 0.00 C ATOM 80 C PRO A 9 -8.433 16.861 0.717 1.00 0.00 C ATOM 81 O PRO A 9 -7.466 16.180 0.377 1.00 0.00 O ATOM 82 CB PRO A 9 -10.692 16.386 -0.269 1.00 0.00 C ATOM 83 CG PRO A 9 -11.499 17.604 0.017 1.00 0.00 C ATOM 84 CD PRO A 9 -11.711 17.620 1.506 1.00 0.00 C ATOM 0 HA PRO A 9 -9.574 15.178 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.102 16.506 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.330 15.514 -0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.979 18.503 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.451 17.574 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.751 18.637 1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.647 17.136 1.784 1.00 0.00 H new ATOM 92 N GLU A 10 -8.367 18.177 0.896 1.00 0.00 N ATOM 93 CA GLU A 10 -7.123 18.912 0.695 1.00 0.00 C ATOM 94 C GLU A 10 -6.071 18.490 1.718 1.00 0.00 C ATOM 95 O GLU A 10 -4.870 18.579 1.461 1.00 0.00 O ATOM 96 CB GLU A 10 -7.373 20.418 0.798 1.00 0.00 C ATOM 97 CG GLU A 10 -7.973 21.022 -0.461 1.00 0.00 C ATOM 98 CD GLU A 10 -9.411 20.597 -0.684 1.00 0.00 C ATOM 99 OE1 GLU A 10 -10.282 21.008 0.111 1.00 0.00 O ATOM 100 OE2 GLU A 10 -9.666 19.855 -1.655 1.00 0.00 O ATOM 0 H GLU A 10 -9.158 18.755 1.179 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.750 18.679 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.041 20.610 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.431 20.920 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.925 22.109 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.373 20.727 -1.322 1.00 0.00 H new ATOM 107 N VAL A 11 -6.531 18.030 2.877 1.00 0.00 N ATOM 108 CA VAL A 11 -5.631 17.593 3.937 1.00 0.00 C ATOM 109 C VAL A 11 -4.947 16.281 3.572 1.00 0.00 C ATOM 110 O VAL A 11 -3.774 16.075 3.879 1.00 0.00 O ATOM 111 CB VAL A 11 -6.380 17.416 5.272 1.00 0.00 C ATOM 112 CG1 VAL A 11 -5.416 17.008 6.375 1.00 0.00 C ATOM 113 CG2 VAL A 11 -7.118 18.693 5.642 1.00 0.00 C ATOM 0 H VAL A 11 -7.522 17.950 3.106 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.877 18.372 4.053 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.116 16.620 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.963 16.888 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.938 16.065 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.655 17.779 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.641 18.550 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.404 19.510 5.743 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.839 18.936 4.861 1.00 0.00 H new ATOM 123 N MET A 12 -5.689 15.396 2.915 1.00 0.00 N ATOM 124 CA MET A 12 -5.154 14.103 2.506 1.00 0.00 C ATOM 125 C MET A 12 -4.416 14.216 1.176 1.00 0.00 C ATOM 126 O MET A 12 -3.476 13.468 0.911 1.00 0.00 O ATOM 127 CB MET A 12 -6.280 13.073 2.393 1.00 0.00 C ATOM 128 CG MET A 12 -7.072 12.895 3.677 1.00 0.00 C ATOM 129 SD MET A 12 -6.979 11.213 4.322 1.00 0.00 S ATOM 130 CE MET A 12 -5.995 11.470 5.797 1.00 0.00 C ATOM 0 H MET A 12 -6.663 15.551 2.654 1.00 0.00 H new ATOM 0 HA MET A 12 -4.446 13.774 3.267 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.959 13.375 1.596 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.855 12.112 2.102 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.698 13.590 4.429 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.115 13.153 3.495 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.850 10.518 6.308 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.026 11.885 5.520 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.510 12.164 6.462 1.00 0.00 H new ATOM 140 N ALA A 13 -4.850 15.156 0.341 1.00 0.00 N ATOM 141 CA ALA A 13 -4.229 15.367 -0.959 1.00 0.00 C ATOM 142 C ALA A 13 -2.732 15.624 -0.819 1.00 0.00 C ATOM 143 O ALA A 13 -1.959 15.373 -1.744 1.00 0.00 O ATOM 144 CB ALA A 13 -4.900 16.526 -1.682 1.00 0.00 C ATOM 0 H ALA A 13 -5.629 15.782 0.543 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.361 14.459 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.426 16.673 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.957 16.303 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.798 17.434 -1.087 1.00 0.00 H new ATOM 150 N LYS A 14 -2.330 16.128 0.343 1.00 0.00 N ATOM 151 CA LYS A 14 -0.926 16.420 0.606 1.00 0.00 C ATOM 152 C LYS A 14 -0.119 15.133 0.739 1.00 0.00 C ATOM 153 O LYS A 14 1.055 15.082 0.368 1.00 0.00 O ATOM 154 CB LYS A 14 -0.787 17.254 1.881 1.00 0.00 C ATOM 155 CG LYS A 14 -0.014 18.546 1.681 1.00 0.00 C ATOM 156 CD LYS A 14 1.482 18.293 1.592 1.00 0.00 C ATOM 157 CE LYS A 14 2.152 18.426 2.951 1.00 0.00 C ATOM 158 NZ LYS A 14 3.636 18.470 2.836 1.00 0.00 N ATOM 0 H LYS A 14 -2.957 16.343 1.118 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.535 16.989 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.781 17.490 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.288 16.656 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.355 19.038 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.220 19.226 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.660 17.294 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.931 18.999 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.799 19.332 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.861 17.587 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.055 18.561 3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.976 17.594 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.915 19.286 2.254 1.00 0.00 H new ATOM 172 N VAL A 15 -0.755 14.092 1.267 1.00 0.00 N ATOM 173 CA VAL A 15 -0.096 12.803 1.445 1.00 0.00 C ATOM 174 C VAL A 15 0.211 12.153 0.100 1.00 0.00 C ATOM 175 O VAL A 15 -0.690 11.893 -0.697 1.00 0.00 O ATOM 176 CB VAL A 15 -0.961 11.842 2.281 1.00 0.00 C ATOM 177 CG1 VAL A 15 -0.254 10.507 2.463 1.00 0.00 C ATOM 178 CG2 VAL A 15 -1.295 12.464 3.629 1.00 0.00 C ATOM 0 H VAL A 15 -1.726 14.116 1.579 1.00 0.00 H new ATOM 0 HA VAL A 15 0.837 12.994 1.975 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.894 11.662 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.881 9.841 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.069 10.057 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.695 10.665 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.907 11.772 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.373 12.674 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.845 13.393 3.475 1.00 0.00 H new ATOM 188 N LYS A 16 1.491 11.890 -0.144 1.00 0.00 N ATOM 189 CA LYS A 16 1.919 11.267 -1.392 1.00 0.00 C ATOM 190 C LYS A 16 2.815 10.063 -1.118 1.00 0.00 C ATOM 191 O LYS A 16 3.653 9.701 -1.945 1.00 0.00 O ATOM 192 CB LYS A 16 2.661 12.283 -2.263 1.00 0.00 C ATOM 193 CG LYS A 16 3.698 13.094 -1.505 1.00 0.00 C ATOM 194 CD LYS A 16 4.338 14.149 -2.390 1.00 0.00 C ATOM 195 CE LYS A 16 4.089 15.551 -1.857 1.00 0.00 C ATOM 196 NZ LYS A 16 4.655 15.734 -0.492 1.00 0.00 N ATOM 0 H LYS A 16 2.250 12.098 0.505 1.00 0.00 H new ATOM 0 HA LYS A 16 1.031 10.923 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.152 11.757 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.936 12.963 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.229 13.574 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.468 12.428 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.411 13.969 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.940 14.067 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.532 16.281 -2.535 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.017 15.746 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.853 16.742 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.971 15.398 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.537 15.190 -0.406 1.00 0.00 H new ATOM 210 N VAL A 17 2.633 9.448 0.045 1.00 0.00 N ATOM 211 CA VAL A 17 3.423 8.283 0.424 1.00 0.00 C ATOM 212 C VAL A 17 2.545 7.201 1.044 1.00 0.00 C ATOM 213 O VAL A 17 1.836 7.445 2.020 1.00 0.00 O ATOM 214 CB VAL A 17 4.533 8.660 1.423 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.423 7.460 1.712 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.354 9.826 0.892 1.00 0.00 C ATOM 0 H VAL A 17 1.946 9.737 0.741 1.00 0.00 H new ATOM 0 HA VAL A 17 3.879 7.899 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 17 4.066 8.969 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.201 7.746 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.823 6.656 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.884 7.117 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.134 10.079 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.812 9.546 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.705 10.689 0.741 1.00 0.00 H new ATOM 226 N LEU A 18 2.598 6.004 0.469 1.00 0.00 N ATOM 227 CA LEU A 18 1.807 4.883 0.964 1.00 0.00 C ATOM 228 C LEU A 18 2.649 3.973 1.853 1.00 0.00 C ATOM 229 O LEU A 18 3.704 3.488 1.442 1.00 0.00 O ATOM 230 CB LEU A 18 1.234 4.081 -0.206 1.00 0.00 C ATOM 231 CG LEU A 18 0.528 4.892 -1.293 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.363 4.061 -2.557 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.822 5.386 -0.797 1.00 0.00 C ATOM 0 H LEU A 18 3.180 5.785 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 18 0.986 5.285 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.046 3.520 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.528 3.351 0.191 1.00 0.00 H new ATOM 0 HG LEU A 18 1.144 5.759 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.141 4.655 -3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.344 3.757 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.232 3.175 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.310 5.961 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.446 4.533 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.679 6.018 0.079 1.00 0.00 H new ATOM 245 N PHE A 19 2.176 3.745 3.074 1.00 0.00 N ATOM 246 CA PHE A 19 2.884 2.894 4.022 1.00 0.00 C ATOM 247 C PHE A 19 2.413 1.446 3.910 1.00 0.00 C ATOM 248 O PHE A 19 1.369 1.079 4.448 1.00 0.00 O ATOM 249 CB PHE A 19 2.677 3.401 5.451 1.00 0.00 C ATOM 250 CG PHE A 19 3.595 2.763 6.453 1.00 0.00 C ATOM 251 CD1 PHE A 19 3.226 1.600 7.109 1.00 0.00 C ATOM 252 CD2 PHE A 19 4.828 3.327 6.739 1.00 0.00 C ATOM 253 CE1 PHE A 19 4.069 1.010 8.033 1.00 0.00 C ATOM 254 CE2 PHE A 19 5.675 2.742 7.661 1.00 0.00 C ATOM 255 CZ PHE A 19 5.295 1.583 8.309 1.00 0.00 C ATOM 0 H PHE A 19 1.305 4.138 3.430 1.00 0.00 H new ATOM 0 HA PHE A 19 3.947 2.932 3.782 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.826 4.481 5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.644 3.216 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.268 1.149 6.896 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.130 4.234 6.236 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.769 0.103 8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.634 3.191 7.875 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.956 1.125 9.031 1.00 0.00 H new ATOM 265 N VAL A 20 3.192 0.630 3.207 1.00 0.00 N ATOM 266 CA VAL A 20 2.855 -0.777 3.025 1.00 0.00 C ATOM 267 C VAL A 20 3.511 -1.643 4.096 1.00 0.00 C ATOM 268 O VAL A 20 4.728 -1.822 4.103 1.00 0.00 O ATOM 269 CB VAL A 20 3.289 -1.282 1.637 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.763 -2.688 1.390 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.813 -0.329 0.551 1.00 0.00 C ATOM 0 H VAL A 20 4.060 0.918 2.755 1.00 0.00 H new ATOM 0 HA VAL A 20 1.771 -0.857 3.111 1.00 0.00 H new ATOM 0 HB VAL A 20 4.378 -1.317 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.080 -3.027 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.157 -3.363 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.674 -2.683 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.128 -0.701 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.726 -0.260 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.243 0.658 0.719 1.00 0.00 H new ATOM 281 N ARG A 21 2.695 -2.176 4.999 1.00 0.00 N ATOM 282 CA ARG A 21 3.195 -3.023 6.075 1.00 0.00 C ATOM 283 C ARG A 21 2.942 -4.496 5.770 1.00 0.00 C ATOM 284 O ARG A 21 2.168 -4.831 4.875 1.00 0.00 O ATOM 285 CB ARG A 21 2.533 -2.644 7.401 1.00 0.00 C ATOM 286 CG ARG A 21 3.462 -2.753 8.599 1.00 0.00 C ATOM 287 CD ARG A 21 2.755 -2.365 9.888 1.00 0.00 C ATOM 288 NE ARG A 21 1.826 -3.398 10.335 1.00 0.00 N ATOM 289 CZ ARG A 21 1.028 -3.263 11.389 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.046 -2.144 12.100 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.209 -4.248 11.733 1.00 0.00 N ATOM 0 H ARG A 21 1.685 -2.036 5.007 1.00 0.00 H new ATOM 0 HA ARG A 21 4.271 -2.867 6.156 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.161 -1.622 7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.668 -3.288 7.563 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.835 -3.774 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.328 -2.108 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.496 -2.182 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.213 -1.431 9.737 1.00 0.00 H new ATOM 0 HE ARG A 21 1.787 -4.271 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.674 -1.384 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.432 -2.044 12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.191 -5.110 11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.403 -4.143 12.542 1.00 0.00 H new ATOM 305 N ASN A 22 3.601 -5.373 6.522 1.00 0.00 N ATOM 306 CA ASN A 22 3.449 -6.811 6.332 1.00 0.00 C ATOM 307 C ASN A 22 3.810 -7.211 4.904 1.00 0.00 C ATOM 308 O ASN A 22 2.933 -7.481 4.082 1.00 0.00 O ATOM 309 CB ASN A 22 2.013 -7.238 6.645 1.00 0.00 C ATOM 310 CG ASN A 22 1.683 -7.115 8.121 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.431 -6.508 8.887 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.557 -7.691 8.524 1.00 0.00 N ATOM 0 H ASN A 22 4.245 -5.112 7.269 1.00 0.00 H new ATOM 0 HA ASN A 22 4.130 -7.318 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.320 -6.625 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.866 -8.270 6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.281 -7.641 9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.032 -8.184 7.853 1.00 0.00 H new ATOM 319 N LEU A 23 5.106 -7.250 4.617 1.00 0.00 N ATOM 320 CA LEU A 23 5.584 -7.619 3.289 1.00 0.00 C ATOM 321 C LEU A 23 6.170 -9.026 3.293 1.00 0.00 C ATOM 322 O LEU A 23 6.267 -9.666 4.340 1.00 0.00 O ATOM 323 CB LEU A 23 6.637 -6.618 2.808 1.00 0.00 C ATOM 324 CG LEU A 23 6.103 -5.367 2.109 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.049 -4.684 2.968 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.240 -4.406 1.794 1.00 0.00 C ATOM 0 H LEU A 23 5.845 -7.031 5.285 1.00 0.00 H new ATOM 0 HA LEU A 23 4.735 -7.601 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.231 -6.305 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.312 -7.132 2.124 1.00 0.00 H new ATOM 0 HG LEU A 23 5.638 -5.669 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.681 -3.796 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.221 -5.371 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.489 -4.395 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.842 -3.522 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.734 -4.110 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.960 -4.897 1.139 1.00 0.00 H new ATOM 338 N ALA A 24 6.561 -9.503 2.115 1.00 0.00 N ATOM 339 CA ALA A 24 7.141 -10.834 1.984 1.00 0.00 C ATOM 340 C ALA A 24 8.666 -10.769 1.969 1.00 0.00 C ATOM 341 O ALA A 24 9.252 -9.803 1.480 1.00 0.00 O ATOM 342 CB ALA A 24 6.629 -11.511 0.722 1.00 0.00 C ATOM 0 H ALA A 24 6.486 -8.987 1.238 1.00 0.00 H new ATOM 0 HA ALA A 24 6.836 -11.423 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.070 -12.504 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.544 -11.599 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.905 -10.916 -0.148 1.00 0.00 H new ATOM 348 N THR A 25 9.302 -11.803 2.511 1.00 0.00 N ATOM 349 CA THR A 25 10.758 -11.862 2.562 1.00 0.00 C ATOM 350 C THR A 25 11.330 -12.446 1.275 1.00 0.00 C ATOM 351 O THR A 25 12.475 -12.175 0.913 1.00 0.00 O ATOM 352 CB THR A 25 11.244 -12.706 3.755 1.00 0.00 C ATOM 353 OG1 THR A 25 10.579 -12.290 4.953 1.00 0.00 O ATOM 354 CG2 THR A 25 12.749 -12.576 3.933 1.00 0.00 C ATOM 0 H THR A 25 8.832 -12.610 2.921 1.00 0.00 H new ATOM 0 HA THR A 25 11.112 -10.838 2.682 1.00 0.00 H new ATOM 0 HB THR A 25 11.007 -13.751 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.892 -12.833 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.069 -13.181 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.253 -12.922 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.005 -11.532 4.115 1.00 0.00 H new ATOM 362 N THR A 26 10.524 -13.248 0.585 1.00 0.00 N ATOM 363 CA THR A 26 10.950 -13.871 -0.662 1.00 0.00 C ATOM 364 C THR A 26 10.923 -12.871 -1.812 1.00 0.00 C ATOM 365 O THR A 26 11.656 -13.015 -2.791 1.00 0.00 O ATOM 366 CB THR A 26 10.060 -15.075 -1.022 1.00 0.00 C ATOM 367 OG1 THR A 26 8.680 -14.732 -0.852 1.00 0.00 O ATOM 368 CG2 THR A 26 10.400 -16.278 -0.154 1.00 0.00 C ATOM 0 H THR A 26 9.573 -13.481 0.869 1.00 0.00 H new ATOM 0 HA THR A 26 11.972 -14.218 -0.509 1.00 0.00 H new ATOM 0 HB THR A 26 10.243 -15.336 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.120 -15.502 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.759 -17.116 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.443 -16.554 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.242 -16.026 0.895 1.00 0.00 H new ATOM 376 N VAL A 27 10.073 -11.857 -1.689 1.00 0.00 N ATOM 377 CA VAL A 27 9.952 -10.831 -2.719 1.00 0.00 C ATOM 378 C VAL A 27 11.121 -9.855 -2.663 1.00 0.00 C ATOM 379 O VAL A 27 11.825 -9.770 -1.656 1.00 0.00 O ATOM 380 CB VAL A 27 8.634 -10.047 -2.577 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.443 -10.993 -2.604 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.641 -9.222 -1.299 1.00 0.00 C ATOM 0 H VAL A 27 9.458 -11.723 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 27 9.959 -11.345 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 27 8.544 -9.365 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.521 -10.420 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.431 -11.536 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.523 -11.702 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.702 -8.674 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.754 -9.883 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.472 -8.517 -1.326 1.00 0.00 H new ATOM 392 N THR A 28 11.322 -9.118 -3.750 1.00 0.00 N ATOM 393 CA THR A 28 12.406 -8.146 -3.826 1.00 0.00 C ATOM 394 C THR A 28 11.896 -6.787 -4.288 1.00 0.00 C ATOM 395 O THR A 28 10.771 -6.670 -4.775 1.00 0.00 O ATOM 396 CB THR A 28 13.516 -8.618 -4.783 1.00 0.00 C ATOM 397 OG1 THR A 28 14.618 -7.704 -4.743 1.00 0.00 O ATOM 398 CG2 THR A 28 12.993 -8.728 -6.206 1.00 0.00 C ATOM 0 H THR A 28 10.748 -9.175 -4.591 1.00 0.00 H new ATOM 0 HA THR A 28 12.818 -8.053 -2.821 1.00 0.00 H new ATOM 0 HB THR A 28 13.850 -9.604 -4.459 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.321 -8.012 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.795 -9.063 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.174 -9.446 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.635 -7.754 -6.538 1.00 0.00 H new ATOM 406 N GLU A 29 12.729 -5.763 -4.133 1.00 0.00 N ATOM 407 CA GLU A 29 12.359 -4.411 -4.536 1.00 0.00 C ATOM 408 C GLU A 29 11.865 -4.389 -5.979 1.00 0.00 C ATOM 409 O GLU A 29 11.034 -3.561 -6.348 1.00 0.00 O ATOM 410 CB GLU A 29 13.552 -3.465 -4.379 1.00 0.00 C ATOM 411 CG GLU A 29 13.760 -2.979 -2.954 1.00 0.00 C ATOM 412 CD GLU A 29 15.177 -2.506 -2.700 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.520 -1.392 -3.147 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.944 -3.251 -2.053 1.00 0.00 O ATOM 0 H GLU A 29 13.663 -5.843 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 29 11.549 -4.075 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.455 -3.974 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.410 -2.603 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.066 -2.164 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.520 -3.785 -2.261 1.00 0.00 H new ATOM 421 N GLU A 30 12.385 -5.304 -6.791 1.00 0.00 N ATOM 422 CA GLU A 30 11.999 -5.389 -8.194 1.00 0.00 C ATOM 423 C GLU A 30 10.520 -5.738 -8.330 1.00 0.00 C ATOM 424 O GLU A 30 9.779 -5.078 -9.060 1.00 0.00 O ATOM 425 CB GLU A 30 12.850 -6.433 -8.919 1.00 0.00 C ATOM 426 CG GLU A 30 13.310 -5.993 -10.298 1.00 0.00 C ATOM 427 CD GLU A 30 12.288 -6.295 -11.378 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.204 -6.815 -11.039 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.573 -6.012 -12.560 1.00 0.00 O ATOM 0 H GLU A 30 13.075 -5.997 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 30 12.168 -4.414 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.724 -6.663 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.276 -7.355 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.513 -4.922 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.248 -6.493 -10.541 1.00 0.00 H new ATOM 436 N ILE A 31 10.097 -6.781 -7.624 1.00 0.00 N ATOM 437 CA ILE A 31 8.707 -7.219 -7.666 1.00 0.00 C ATOM 438 C ILE A 31 7.777 -6.149 -7.105 1.00 0.00 C ATOM 439 O ILE A 31 6.826 -5.728 -7.766 1.00 0.00 O ATOM 440 CB ILE A 31 8.504 -8.525 -6.875 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.406 -9.629 -7.432 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.044 -8.951 -6.923 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.580 -10.799 -6.489 1.00 0.00 C ATOM 0 H ILE A 31 10.697 -7.339 -7.016 1.00 0.00 H new ATOM 0 HA ILE A 31 8.464 -7.397 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 31 8.777 -8.349 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.988 -9.989 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.385 -9.207 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.916 -9.875 -6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.423 -8.170 -6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.746 -9.113 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.231 -11.543 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.027 -10.452 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.608 -11.246 -6.281 1.00 0.00 H new ATOM 455 N LEU A 32 8.057 -5.711 -5.882 1.00 0.00 N ATOM 456 CA LEU A 32 7.246 -4.687 -5.232 1.00 0.00 C ATOM 457 C LEU A 32 7.123 -3.448 -6.114 1.00 0.00 C ATOM 458 O LEU A 32 6.136 -2.717 -6.038 1.00 0.00 O ATOM 459 CB LEU A 32 7.858 -4.307 -3.882 1.00 0.00 C ATOM 460 CG LEU A 32 7.478 -5.198 -2.699 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.563 -5.164 -1.635 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.141 -4.766 -2.114 1.00 0.00 C ATOM 0 H LEU A 32 8.839 -6.049 -5.321 1.00 0.00 H new ATOM 0 HA LEU A 32 6.248 -5.096 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.943 -4.314 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.566 -3.283 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 32 7.381 -6.223 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.275 -5.804 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.501 -5.522 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.692 -4.142 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.886 -5.411 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.210 -3.734 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.367 -4.844 -2.878 1.00 0.00 H new ATOM 474 N GLU A 33 8.130 -3.222 -6.951 1.00 0.00 N ATOM 475 CA GLU A 33 8.132 -2.072 -7.849 1.00 0.00 C ATOM 476 C GLU A 33 7.097 -2.245 -8.956 1.00 0.00 C ATOM 477 O GLU A 33 6.144 -1.471 -9.057 1.00 0.00 O ATOM 478 CB GLU A 33 9.521 -1.878 -8.460 1.00 0.00 C ATOM 479 CG GLU A 33 10.328 -0.772 -7.799 1.00 0.00 C ATOM 480 CD GLU A 33 11.811 -1.083 -7.748 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.399 -1.344 -8.819 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.384 -1.065 -6.640 1.00 0.00 O ATOM 0 H GLU A 33 8.954 -3.818 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 33 7.872 -1.188 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.075 -2.814 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.414 -1.653 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.174 0.160 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.959 -0.614 -6.786 1.00 0.00 H new ATOM 489 N LYS A 34 7.289 -3.264 -9.786 1.00 0.00 N ATOM 490 CA LYS A 34 6.374 -3.541 -10.886 1.00 0.00 C ATOM 491 C LYS A 34 4.938 -3.654 -10.383 1.00 0.00 C ATOM 492 O LYS A 34 3.990 -3.368 -11.113 1.00 0.00 O ATOM 493 CB LYS A 34 6.778 -4.832 -11.601 1.00 0.00 C ATOM 494 CG LYS A 34 7.583 -4.599 -12.867 1.00 0.00 C ATOM 495 CD LYS A 34 8.873 -5.403 -12.864 1.00 0.00 C ATOM 496 CE LYS A 34 9.224 -5.897 -14.258 1.00 0.00 C ATOM 497 NZ LYS A 34 10.616 -5.529 -14.643 1.00 0.00 N ATOM 0 H LYS A 34 8.073 -3.913 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 34 6.430 -2.711 -11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.362 -5.449 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.879 -5.396 -11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.984 -4.873 -13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.815 -3.538 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.686 -4.787 -12.480 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.771 -6.254 -12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.110 -6.980 -14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.524 -5.476 -14.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.906 -6.087 -15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.655 -4.516 -14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.259 -5.727 -13.850 1.00 0.00 H new ATOM 511 N SER A 35 4.786 -4.071 -9.130 1.00 0.00 N ATOM 512 CA SER A 35 3.466 -4.225 -8.531 1.00 0.00 C ATOM 513 C SER A 35 2.687 -2.913 -8.587 1.00 0.00 C ATOM 514 O SER A 35 1.515 -2.889 -8.960 1.00 0.00 O ATOM 515 CB SER A 35 3.592 -4.694 -7.080 1.00 0.00 C ATOM 516 OG SER A 35 4.232 -5.955 -7.006 1.00 0.00 O ATOM 0 H SER A 35 5.561 -4.308 -8.510 1.00 0.00 H new ATOM 0 HA SER A 35 2.921 -4.976 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.158 -3.961 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.602 -4.758 -6.628 1.00 0.00 H new ATOM 0 HG SER A 35 5.163 -5.867 -7.299 1.00 0.00 H new ATOM 522 N PHE A 36 3.351 -1.823 -8.214 1.00 0.00 N ATOM 523 CA PHE A 36 2.723 -0.506 -8.220 1.00 0.00 C ATOM 524 C PHE A 36 2.939 0.192 -9.559 1.00 0.00 C ATOM 525 O PHE A 36 2.132 1.023 -9.976 1.00 0.00 O ATOM 526 CB PHE A 36 3.283 0.354 -7.086 1.00 0.00 C ATOM 527 CG PHE A 36 2.998 -0.198 -5.717 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.721 -0.140 -5.185 1.00 0.00 C ATOM 529 CD2 PHE A 36 4.008 -0.774 -4.966 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.456 -0.646 -3.926 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.750 -1.282 -3.706 1.00 0.00 C ATOM 532 CZ PHE A 36 2.472 -1.219 -3.187 1.00 0.00 C ATOM 0 H PHE A 36 4.323 -1.826 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 36 1.652 -0.640 -8.069 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.361 0.451 -7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.862 1.357 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.923 0.306 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.009 -0.827 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.456 -0.593 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.547 -1.727 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.267 -1.617 -2.204 1.00 0.00 H new ATOM 542 N SER A 37 4.035 -0.150 -10.228 1.00 0.00 N ATOM 543 CA SER A 37 4.361 0.447 -11.519 1.00 0.00 C ATOM 544 C SER A 37 3.214 0.262 -12.508 1.00 0.00 C ATOM 545 O SER A 37 3.050 1.052 -13.436 1.00 0.00 O ATOM 546 CB SER A 37 5.641 -0.173 -12.082 1.00 0.00 C ATOM 547 OG SER A 37 5.345 -1.149 -13.066 1.00 0.00 O ATOM 0 H SER A 37 4.713 -0.837 -9.898 1.00 0.00 H new ATOM 0 HA SER A 37 4.519 1.515 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.266 0.607 -12.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.214 -0.628 -11.274 1.00 0.00 H new ATOM 0 HG SER A 37 6.180 -1.529 -13.411 1.00 0.00 H new ATOM 553 N GLU A 38 2.425 -0.786 -12.300 1.00 0.00 N ATOM 554 CA GLU A 38 1.294 -1.076 -13.174 1.00 0.00 C ATOM 555 C GLU A 38 0.200 -0.025 -13.014 1.00 0.00 C ATOM 556 O GLU A 38 -0.585 0.216 -13.932 1.00 0.00 O ATOM 557 CB GLU A 38 0.730 -2.465 -12.871 1.00 0.00 C ATOM 558 CG GLU A 38 1.746 -3.584 -13.029 1.00 0.00 C ATOM 559 CD GLU A 38 1.252 -4.700 -13.928 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.554 -5.603 -13.421 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.562 -4.670 -15.137 1.00 0.00 O ATOM 0 H GLU A 38 2.547 -1.449 -11.534 1.00 0.00 H new ATOM 0 HA GLU A 38 1.649 -1.053 -14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.345 -2.477 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.115 -2.657 -13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.670 -3.175 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.986 -3.993 -12.047 1.00 0.00 H new ATOM 568 N PHE A 39 0.153 0.599 -11.842 1.00 0.00 N ATOM 569 CA PHE A 39 -0.845 1.623 -11.559 1.00 0.00 C ATOM 570 C PHE A 39 -0.417 2.972 -12.130 1.00 0.00 C ATOM 571 O PHE A 39 -1.179 3.628 -12.841 1.00 0.00 O ATOM 572 CB PHE A 39 -1.070 1.744 -10.050 1.00 0.00 C ATOM 573 CG PHE A 39 -1.788 0.567 -9.455 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.089 -0.568 -9.076 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.162 0.595 -9.274 1.00 0.00 C ATOM 576 CE1 PHE A 39 -1.746 -1.652 -8.527 1.00 0.00 C ATOM 577 CE2 PHE A 39 -3.823 -0.486 -8.725 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.116 -1.612 -8.352 1.00 0.00 C ATOM 0 H PHE A 39 0.796 0.413 -11.072 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.779 1.326 -12.036 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.106 1.859 -9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.643 2.649 -9.847 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.018 -0.605 -9.211 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.722 1.472 -9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.189 -2.530 -8.235 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.894 -0.451 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.632 -2.459 -7.925 1.00 0.00 H new ATOM 588 N GLY A 40 0.808 3.380 -11.815 1.00 0.00 N ATOM 589 CA GLY A 40 1.317 4.648 -12.305 1.00 0.00 C ATOM 590 C GLY A 40 2.827 4.740 -12.215 1.00 0.00 C ATOM 591 O GLY A 40 3.481 3.846 -11.678 1.00 0.00 O ATOM 0 H GLY A 40 1.457 2.855 -11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.009 4.783 -13.342 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.872 5.461 -11.731 1.00 0.00 H new ATOM 595 N LYS A 41 3.385 5.824 -12.744 1.00 0.00 N ATOM 596 CA LYS A 41 4.828 6.031 -12.723 1.00 0.00 C ATOM 597 C LYS A 41 5.323 6.265 -11.299 1.00 0.00 C ATOM 598 O LYS A 41 5.154 7.350 -10.741 1.00 0.00 O ATOM 599 CB LYS A 41 5.206 7.222 -13.606 1.00 0.00 C ATOM 600 CG LYS A 41 6.164 6.866 -14.730 1.00 0.00 C ATOM 601 CD LYS A 41 7.613 7.005 -14.293 1.00 0.00 C ATOM 602 CE LYS A 41 8.520 7.331 -15.470 1.00 0.00 C ATOM 603 NZ LYS A 41 8.634 6.186 -16.415 1.00 0.00 N ATOM 0 H LYS A 41 2.859 6.573 -13.193 1.00 0.00 H new ATOM 0 HA LYS A 41 5.304 5.131 -13.112 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.299 7.648 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.659 7.995 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.978 5.843 -15.057 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.978 7.514 -15.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.694 7.790 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.943 6.079 -13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.131 8.201 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.511 7.599 -15.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.260 6.447 -17.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.029 5.363 -15.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.692 5.947 -16.786 1.00 0.00 H new ATOM 617 N LEU A 42 5.934 5.239 -10.715 1.00 0.00 N ATOM 618 CA LEU A 42 6.456 5.334 -9.356 1.00 0.00 C ATOM 619 C LEU A 42 7.628 6.307 -9.288 1.00 0.00 C ATOM 620 O LEU A 42 8.128 6.762 -10.316 1.00 0.00 O ATOM 621 CB LEU A 42 6.894 3.953 -8.861 1.00 0.00 C ATOM 622 CG LEU A 42 5.811 2.875 -8.832 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.409 1.527 -8.461 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.704 3.256 -7.859 1.00 0.00 C ATOM 0 H LEU A 42 6.080 4.333 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 42 5.660 5.710 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.709 3.604 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.297 4.061 -7.854 1.00 0.00 H new ATOM 0 HG LEU A 42 5.379 2.795 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.623 0.772 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.164 1.249 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.869 1.592 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.942 2.477 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.121 3.365 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.255 4.199 -8.170 1.00 0.00 H new ATOM 636 N GLU A 43 8.062 6.619 -8.071 1.00 0.00 N ATOM 637 CA GLU A 43 9.177 7.537 -7.870 1.00 0.00 C ATOM 638 C GLU A 43 10.410 6.794 -7.364 1.00 0.00 C ATOM 639 O GLU A 43 11.512 6.974 -7.882 1.00 0.00 O ATOM 640 CB GLU A 43 8.788 8.637 -6.879 1.00 0.00 C ATOM 641 CG GLU A 43 8.855 10.037 -7.466 1.00 0.00 C ATOM 642 CD GLU A 43 10.135 10.763 -7.098 1.00 0.00 C ATOM 643 OE1 GLU A 43 10.330 11.051 -5.899 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.940 11.044 -8.011 1.00 0.00 O ATOM 0 H GLU A 43 7.659 6.250 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 43 9.418 7.992 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.775 8.450 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.447 8.584 -6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.775 9.976 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.000 10.615 -7.116 1.00 0.00 H new ATOM 651 N ARG A 44 10.215 5.959 -6.349 1.00 0.00 N ATOM 652 CA ARG A 44 11.310 5.190 -5.771 1.00 0.00 C ATOM 653 C ARG A 44 10.811 4.303 -4.634 1.00 0.00 C ATOM 654 O ARG A 44 9.960 4.709 -3.844 1.00 0.00 O ATOM 655 CB ARG A 44 12.404 6.128 -5.257 1.00 0.00 C ATOM 656 CG ARG A 44 13.807 5.708 -5.665 1.00 0.00 C ATOM 657 CD ARG A 44 14.845 6.725 -5.216 1.00 0.00 C ATOM 658 NE ARG A 44 16.146 6.490 -5.839 1.00 0.00 N ATOM 659 CZ ARG A 44 16.965 5.507 -5.481 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.621 4.673 -4.511 1.00 0.00 N ATOM 661 NH2 ARG A 44 18.132 5.359 -6.096 1.00 0.00 N ATOM 0 H ARG A 44 9.309 5.798 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 44 11.724 4.552 -6.552 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.212 7.134 -5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.350 6.175 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.038 4.735 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.853 5.593 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.500 7.729 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.949 6.683 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 44 16.441 7.115 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.725 4.784 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.252 3.919 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.400 6.000 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.761 4.604 -5.821 1.00 0.00 H new ATOM 675 N VAL A 45 11.347 3.087 -4.560 1.00 0.00 N ATOM 676 CA VAL A 45 10.957 2.142 -3.521 1.00 0.00 C ATOM 677 C VAL A 45 12.157 1.728 -2.676 1.00 0.00 C ATOM 678 O VAL A 45 13.288 1.692 -3.160 1.00 0.00 O ATOM 679 CB VAL A 45 10.307 0.883 -4.124 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.738 -0.001 -3.025 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.228 1.267 -5.124 1.00 0.00 C ATOM 0 H VAL A 45 12.052 2.735 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 45 10.229 2.649 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 45 11.074 0.317 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.283 -0.886 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.539 -0.305 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.984 0.553 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.780 0.365 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.460 1.856 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.670 1.856 -5.928 1.00 0.00 H new ATOM 691 N LYS A 46 11.903 1.416 -1.410 1.00 0.00 N ATOM 692 CA LYS A 46 12.960 1.002 -0.497 1.00 0.00 C ATOM 693 C LYS A 46 12.446 -0.034 0.498 1.00 0.00 C ATOM 694 O LYS A 46 11.354 0.109 1.051 1.00 0.00 O ATOM 695 CB LYS A 46 13.517 2.214 0.255 1.00 0.00 C ATOM 696 CG LYS A 46 14.996 2.099 0.583 1.00 0.00 C ATOM 697 CD LYS A 46 15.846 2.078 -0.675 1.00 0.00 C ATOM 698 CE LYS A 46 16.398 0.688 -0.953 1.00 0.00 C ATOM 699 NZ LYS A 46 17.763 0.509 -0.383 1.00 0.00 N ATOM 0 H LYS A 46 10.973 1.442 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 46 13.757 0.549 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.355 3.109 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.957 2.345 1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.296 2.937 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.173 1.190 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.249 2.410 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.670 2.783 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.727 -0.060 -0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.429 0.518 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.104 -0.451 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.409 1.206 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.730 0.646 0.647 1.00 0.00 H new ATOM 713 N LYS A 47 13.239 -1.075 0.724 1.00 0.00 N ATOM 714 CA LYS A 47 12.865 -2.135 1.655 1.00 0.00 C ATOM 715 C LYS A 47 13.336 -1.808 3.068 1.00 0.00 C ATOM 716 O LYS A 47 14.511 -1.979 3.397 1.00 0.00 O ATOM 717 CB LYS A 47 13.460 -3.471 1.204 1.00 0.00 C ATOM 718 CG LYS A 47 12.549 -4.659 1.460 1.00 0.00 C ATOM 719 CD LYS A 47 12.569 -5.638 0.298 1.00 0.00 C ATOM 720 CE LYS A 47 11.659 -6.830 0.556 1.00 0.00 C ATOM 721 NZ LYS A 47 12.420 -8.109 0.602 1.00 0.00 N ATOM 0 H LYS A 47 14.145 -1.208 0.276 1.00 0.00 H new ATOM 0 HA LYS A 47 11.778 -2.212 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.684 -3.418 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.406 -3.631 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.862 -5.168 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.530 -4.309 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.254 -5.129 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.588 -5.987 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.132 -6.687 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.902 -6.885 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.218 -8.664 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.439 -7.905 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.135 -8.652 1.442 1.00 0.00 H new ATOM 735 N LEU A 48 12.415 -1.337 3.900 1.00 0.00 N ATOM 736 CA LEU A 48 12.735 -0.988 5.280 1.00 0.00 C ATOM 737 C LEU A 48 11.821 -1.723 6.255 1.00 0.00 C ATOM 738 O LEU A 48 10.626 -1.438 6.337 1.00 0.00 O ATOM 739 CB LEU A 48 12.611 0.522 5.486 1.00 0.00 C ATOM 740 CG LEU A 48 13.789 1.367 4.999 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.071 0.948 5.702 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.944 1.246 3.489 1.00 0.00 C ATOM 0 H LEU A 48 11.439 -1.188 3.643 1.00 0.00 H new ATOM 0 HA LEU A 48 13.763 -1.292 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.710 0.865 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.469 0.713 6.550 1.00 0.00 H new ATOM 0 HG LEU A 48 13.588 2.411 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.899 1.559 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.958 1.085 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.276 -0.101 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.787 1.854 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.123 0.204 3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.034 1.594 3.001 1.00 0.00 H new ATOM 754 N LYS A 49 12.390 -2.669 6.993 1.00 0.00 N ATOM 755 CA LYS A 49 11.628 -3.443 7.966 1.00 0.00 C ATOM 756 C LYS A 49 10.546 -4.268 7.277 1.00 0.00 C ATOM 757 O LYS A 49 10.587 -4.473 6.064 1.00 0.00 O ATOM 758 CB LYS A 49 10.994 -2.515 9.004 1.00 0.00 C ATOM 759 CG LYS A 49 11.945 -1.457 9.536 1.00 0.00 C ATOM 760 CD LYS A 49 13.193 -2.081 10.138 1.00 0.00 C ATOM 761 CE LYS A 49 13.717 -1.262 11.308 1.00 0.00 C ATOM 762 NZ LYS A 49 15.178 -0.996 11.188 1.00 0.00 N ATOM 0 H LYS A 49 13.377 -2.919 6.936 1.00 0.00 H new ATOM 0 HA LYS A 49 12.315 -4.124 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.129 -2.023 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.627 -3.113 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.228 -0.782 8.729 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.437 -0.856 10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.969 -3.094 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.966 -2.161 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.178 -0.316 11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.520 -1.792 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.497 -0.436 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.694 -1.898 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.364 -0.468 10.311 1.00 0.00 H new ATOM 776 N ASP A 50 9.579 -4.737 8.058 1.00 0.00 N ATOM 777 CA ASP A 50 8.484 -5.536 7.523 1.00 0.00 C ATOM 778 C ASP A 50 7.681 -4.741 6.497 1.00 0.00 C ATOM 779 O ASP A 50 6.914 -5.309 5.718 1.00 0.00 O ATOM 780 CB ASP A 50 7.567 -6.007 8.653 1.00 0.00 C ATOM 781 CG ASP A 50 7.748 -7.480 8.969 1.00 0.00 C ATOM 782 OD1 ASP A 50 7.160 -8.316 8.252 1.00 0.00 O ATOM 783 OD2 ASP A 50 8.475 -7.795 9.934 1.00 0.00 O ATOM 0 H ASP A 50 9.532 -4.577 9.064 1.00 0.00 H new ATOM 0 HA ASP A 50 8.912 -6.407 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.767 -5.419 9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.529 -5.823 8.376 1.00 0.00 H new ATOM 788 N TYR A 51 7.860 -3.425 6.506 1.00 0.00 N ATOM 789 CA TYR A 51 7.149 -2.551 5.579 1.00 0.00 C ATOM 790 C TYR A 51 8.084 -2.037 4.490 1.00 0.00 C ATOM 791 O TYR A 51 9.244 -2.440 4.411 1.00 0.00 O ATOM 792 CB TYR A 51 6.527 -1.374 6.332 1.00 0.00 C ATOM 793 CG TYR A 51 7.503 -0.645 7.228 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.368 0.313 6.713 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.560 -0.914 8.589 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.261 0.982 7.528 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.449 -0.250 9.412 1.00 0.00 C ATOM 798 CZ TYR A 51 9.297 0.696 8.876 1.00 0.00 C ATOM 799 OH TYR A 51 10.185 1.360 9.692 1.00 0.00 O ATOM 0 H TYR A 51 8.491 -2.940 7.144 1.00 0.00 H new ATOM 0 HA TYR A 51 6.356 -3.131 5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.113 -0.670 5.610 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.695 -1.738 6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.342 0.539 5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.898 -1.655 9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.926 1.724 7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.480 -0.471 10.469 1.00 0.00 H new ATOM 0 HH TYR A 51 10.082 1.043 10.614 1.00 0.00 H new ATOM 809 N ALA A 52 7.570 -1.143 3.651 1.00 0.00 N ATOM 810 CA ALA A 52 8.359 -0.570 2.567 1.00 0.00 C ATOM 811 C ALA A 52 7.979 0.886 2.323 1.00 0.00 C ATOM 812 O ALA A 52 6.892 1.327 2.698 1.00 0.00 O ATOM 813 CB ALA A 52 8.178 -1.385 1.295 1.00 0.00 C ATOM 0 H ALA A 52 6.611 -0.800 3.701 1.00 0.00 H new ATOM 0 HA ALA A 52 9.409 -0.601 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.773 -0.946 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.505 -2.410 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.126 -1.384 1.009 1.00 0.00 H new ATOM 819 N PHE A 53 8.882 1.630 1.693 1.00 0.00 N ATOM 820 CA PHE A 53 8.643 3.038 1.400 1.00 0.00 C ATOM 821 C PHE A 53 8.661 3.292 -0.104 1.00 0.00 C ATOM 822 O PHE A 53 9.717 3.271 -0.736 1.00 0.00 O ATOM 823 CB PHE A 53 9.695 3.911 2.088 1.00 0.00 C ATOM 824 CG PHE A 53 9.446 4.104 3.557 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.208 4.527 4.013 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.450 3.861 4.481 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.976 4.705 5.365 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.223 4.037 5.832 1.00 0.00 C ATOM 829 CZ PHE A 53 8.985 4.460 6.275 1.00 0.00 C ATOM 0 H PHE A 53 9.786 1.281 1.376 1.00 0.00 H new ATOM 0 HA PHE A 53 7.657 3.299 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.677 3.459 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.722 4.886 1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.415 4.720 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.420 3.530 4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.007 5.035 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.014 3.844 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.807 4.599 7.331 1.00 0.00 H new ATOM 839 N VAL A 54 7.484 3.531 -0.673 1.00 0.00 N ATOM 840 CA VAL A 54 7.364 3.789 -2.103 1.00 0.00 C ATOM 841 C VAL A 54 6.814 5.187 -2.365 1.00 0.00 C ATOM 842 O VAL A 54 5.900 5.644 -1.678 1.00 0.00 O ATOM 843 CB VAL A 54 6.449 2.754 -2.785 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.437 2.962 -4.292 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.893 1.340 -2.437 1.00 0.00 C ATOM 0 H VAL A 54 6.600 3.551 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 54 8.366 3.711 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 54 5.433 2.893 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.785 2.222 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.069 3.963 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.448 2.851 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.236 0.621 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.917 1.186 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.844 1.199 -1.357 1.00 0.00 H new ATOM 855 N HIS A 55 7.375 5.860 -3.363 1.00 0.00 N ATOM 856 CA HIS A 55 6.941 7.207 -3.717 1.00 0.00 C ATOM 857 C HIS A 55 6.205 7.206 -5.054 1.00 0.00 C ATOM 858 O HIS A 55 6.414 6.325 -5.889 1.00 0.00 O ATOM 859 CB HIS A 55 8.140 8.152 -3.783 1.00 0.00 C ATOM 860 CG HIS A 55 8.634 8.586 -2.437 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.402 9.844 -1.921 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.351 7.922 -1.501 1.00 0.00 C ATOM 863 CE1 HIS A 55 8.956 9.935 -0.725 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.537 8.782 -0.445 1.00 0.00 N ATOM 0 H HIS A 55 8.132 5.495 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 55 6.256 7.556 -2.944 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.952 7.659 -4.318 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.866 9.034 -4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.710 6.906 -1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.937 10.805 -0.085 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.041 8.565 0.415 1.00 0.00 H new ATOM 872 N PHE A 56 5.344 8.198 -5.250 1.00 0.00 N ATOM 873 CA PHE A 56 4.575 8.312 -6.484 1.00 0.00 C ATOM 874 C PHE A 56 4.733 9.699 -7.098 1.00 0.00 C ATOM 875 O PHE A 56 5.023 10.669 -6.398 1.00 0.00 O ATOM 876 CB PHE A 56 3.096 8.024 -6.218 1.00 0.00 C ATOM 877 CG PHE A 56 2.782 6.562 -6.089 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.088 5.873 -4.927 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.180 5.875 -7.131 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.802 4.526 -4.807 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.891 4.528 -7.017 1.00 0.00 C ATOM 882 CZ PHE A 56 2.200 3.853 -5.853 1.00 0.00 C ATOM 0 H PHE A 56 5.161 8.936 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 56 4.959 7.576 -7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.794 8.534 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.501 8.445 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.556 6.394 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.934 6.398 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.049 4.000 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.424 4.004 -7.838 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.972 2.801 -5.760 1.00 0.00 H new ATOM 892 N GLU A 57 4.541 9.785 -8.412 1.00 0.00 N ATOM 893 CA GLU A 57 4.664 11.053 -9.119 1.00 0.00 C ATOM 894 C GLU A 57 3.739 12.106 -8.515 1.00 0.00 C ATOM 895 O GLU A 57 4.006 13.305 -8.602 1.00 0.00 O ATOM 896 CB GLU A 57 4.340 10.868 -10.604 1.00 0.00 C ATOM 897 CG GLU A 57 5.091 11.824 -11.514 1.00 0.00 C ATOM 898 CD GLU A 57 4.209 12.941 -12.041 1.00 0.00 C ATOM 899 OE1 GLU A 57 3.952 13.899 -11.283 1.00 0.00 O ATOM 900 OE2 GLU A 57 3.778 12.856 -13.209 1.00 0.00 O ATOM 0 H GLU A 57 4.300 8.992 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 57 5.693 11.397 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.575 9.844 -10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.269 11.004 -10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.930 12.255 -10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.508 11.268 -12.354 1.00 0.00 H new ATOM 907 N ASP A 58 2.654 11.649 -7.901 1.00 0.00 N ATOM 908 CA ASP A 58 1.689 12.551 -7.282 1.00 0.00 C ATOM 909 C ASP A 58 0.823 11.807 -6.270 1.00 0.00 C ATOM 910 O ASP A 58 1.014 10.615 -6.032 1.00 0.00 O ATOM 911 CB ASP A 58 0.807 13.201 -8.348 1.00 0.00 C ATOM 912 CG ASP A 58 0.808 14.713 -8.258 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.886 15.318 -8.439 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.269 15.294 -8.003 1.00 0.00 O ATOM 0 H ASP A 58 2.420 10.660 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 58 2.242 13.330 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.154 12.899 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.214 12.835 -8.243 1.00 0.00 H new ATOM 919 N ARG A 59 -0.131 12.519 -5.678 1.00 0.00 N ATOM 920 CA ARG A 59 -1.026 11.927 -4.691 1.00 0.00 C ATOM 921 C ARG A 59 -2.017 10.977 -5.357 1.00 0.00 C ATOM 922 O ARG A 59 -2.272 9.881 -4.860 1.00 0.00 O ATOM 923 CB ARG A 59 -1.781 13.021 -3.934 1.00 0.00 C ATOM 924 CG ARG A 59 -2.889 12.490 -3.040 1.00 0.00 C ATOM 925 CD ARG A 59 -4.263 12.799 -3.613 1.00 0.00 C ATOM 926 NE ARG A 59 -5.336 12.397 -2.707 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.578 12.863 -2.786 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.900 13.743 -3.724 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.499 12.450 -1.926 1.00 0.00 N ATOM 0 H ARG A 59 -0.304 13.507 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.422 11.358 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.073 13.584 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.209 13.719 -4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.777 11.412 -2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.800 12.931 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.340 13.867 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.382 12.285 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.120 11.722 -1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.194 14.063 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.854 14.099 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.255 11.774 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.452 12.809 -1.988 1.00 0.00 H new ATOM 943 N GLY A 60 -2.575 11.407 -6.485 1.00 0.00 N ATOM 944 CA GLY A 60 -3.534 10.584 -7.199 1.00 0.00 C ATOM 945 C GLY A 60 -3.000 9.195 -7.493 1.00 0.00 C ATOM 946 O GLY A 60 -3.631 8.196 -7.151 1.00 0.00 O ATOM 0 H GLY A 60 -2.380 12.310 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.447 10.502 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.802 11.073 -8.136 1.00 0.00 H new ATOM 950 N ALA A 61 -1.835 9.133 -8.128 1.00 0.00 N ATOM 951 CA ALA A 61 -1.216 7.858 -8.467 1.00 0.00 C ATOM 952 C ALA A 61 -1.097 6.962 -7.239 1.00 0.00 C ATOM 953 O ALA A 61 -1.113 5.737 -7.349 1.00 0.00 O ATOM 954 CB ALA A 61 0.152 8.084 -9.093 1.00 0.00 C ATOM 0 H ALA A 61 -1.300 9.952 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.855 7.354 -9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.602 7.123 -9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.043 8.678 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.792 8.613 -8.387 1.00 0.00 H new ATOM 960 N ALA A 62 -0.978 7.582 -6.070 1.00 0.00 N ATOM 961 CA ALA A 62 -0.858 6.840 -4.821 1.00 0.00 C ATOM 962 C ALA A 62 -2.226 6.417 -4.299 1.00 0.00 C ATOM 963 O ALA A 62 -2.395 5.303 -3.802 1.00 0.00 O ATOM 964 CB ALA A 62 -0.130 7.677 -3.779 1.00 0.00 C ATOM 0 H ALA A 62 -0.962 8.596 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.279 5.938 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.047 7.111 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.867 7.925 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.688 8.595 -3.595 1.00 0.00 H new ATOM 970 N VAL A 63 -3.202 7.313 -4.415 1.00 0.00 N ATOM 971 CA VAL A 63 -4.557 7.031 -3.956 1.00 0.00 C ATOM 972 C VAL A 63 -5.214 5.951 -4.809 1.00 0.00 C ATOM 973 O VAL A 63 -5.672 4.930 -4.294 1.00 0.00 O ATOM 974 CB VAL A 63 -5.434 8.297 -3.986 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.824 7.996 -3.446 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.777 9.418 -3.195 1.00 0.00 C ATOM 0 H VAL A 63 -3.079 8.240 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.475 6.678 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.535 8.624 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.430 8.902 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.293 7.226 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.746 7.644 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.410 10.305 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.644 9.104 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.805 9.650 -3.631 1.00 0.00 H new ATOM 986 N LYS A 64 -5.254 6.182 -6.117 1.00 0.00 N ATOM 987 CA LYS A 64 -5.853 5.228 -7.044 1.00 0.00 C ATOM 988 C LYS A 64 -5.211 3.852 -6.900 1.00 0.00 C ATOM 989 O LYS A 64 -5.830 2.833 -7.198 1.00 0.00 O ATOM 990 CB LYS A 64 -5.705 5.725 -8.484 1.00 0.00 C ATOM 991 CG LYS A 64 -6.304 4.784 -9.515 1.00 0.00 C ATOM 992 CD LYS A 64 -5.245 4.249 -10.465 1.00 0.00 C ATOM 993 CE LYS A 64 -5.732 3.014 -11.205 1.00 0.00 C ATOM 994 NZ LYS A 64 -4.676 2.442 -12.086 1.00 0.00 N ATOM 0 H LYS A 64 -4.879 7.021 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.912 5.141 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.182 6.701 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.647 5.866 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.793 3.952 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.073 5.308 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.976 5.023 -11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.342 4.006 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.051 2.261 -10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.605 3.271 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.121 1.907 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.102 3.212 -12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.067 1.807 -11.531 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.963 3.832 -6.439 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.238 2.582 -6.253 1.00 0.00 C ATOM 1010 C ALA A 65 -3.612 1.923 -4.928 1.00 0.00 C ATOM 1011 O ALA A 65 -4.140 0.813 -4.904 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.738 2.827 -6.318 1.00 0.00 C ATOM 0 H ALA A 65 -3.435 4.668 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.519 1.904 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.209 1.884 -6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.480 3.247 -7.290 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.449 3.526 -5.533 1.00 0.00 H new ATOM 1018 N MET A 66 -3.331 2.616 -3.829 1.00 0.00 N ATOM 1019 CA MET A 66 -3.638 2.098 -2.501 1.00 0.00 C ATOM 1020 C MET A 66 -5.116 1.741 -2.385 1.00 0.00 C ATOM 1021 O MET A 66 -5.497 0.885 -1.586 1.00 0.00 O ATOM 1022 CB MET A 66 -3.263 3.125 -1.430 1.00 0.00 C ATOM 1023 CG MET A 66 -3.742 2.752 -0.037 1.00 0.00 C ATOM 1024 SD MET A 66 -5.298 3.551 0.400 1.00 0.00 S ATOM 1025 CE MET A 66 -4.796 5.270 0.439 1.00 0.00 C ATOM 0 H MET A 66 -2.892 3.537 -3.832 1.00 0.00 H new ATOM 0 HA MET A 66 -3.051 1.193 -2.347 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.179 3.242 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.684 4.093 -1.703 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.864 1.671 0.023 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.979 3.028 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.442 5.822 1.122 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.763 5.340 0.780 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.877 5.695 -0.561 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.944 2.403 -3.185 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.381 2.154 -3.173 1.00 0.00 C ATOM 1037 C ASP A 67 -7.683 0.696 -3.498 1.00 0.00 C ATOM 1038 O ASP A 67 -8.526 0.069 -2.855 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.087 3.069 -4.175 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.388 4.438 -3.596 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.047 4.672 -2.418 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -8.965 5.276 -4.322 1.00 0.00 O ATOM 0 H ASP A 67 -5.645 3.116 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.753 2.369 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.463 3.182 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.017 2.601 -4.497 1.00 0.00 H new ATOM 1047 N GLU A 68 -6.992 0.161 -4.499 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.188 -1.224 -4.910 1.00 0.00 C ATOM 1049 C GLU A 68 -6.214 -2.150 -4.187 1.00 0.00 C ATOM 1050 O GLU A 68 -6.600 -3.203 -3.682 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.012 -1.361 -6.424 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.862 -0.390 -7.225 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.345 -0.681 -7.110 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.744 -1.839 -7.352 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.109 0.251 -6.778 1.00 0.00 O ATOM 0 H GLU A 68 -6.291 0.666 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.204 -1.514 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.963 -1.205 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.262 -2.380 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.667 0.626 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.567 -0.434 -8.273 1.00 0.00 H new ATOM 1062 N MET A 69 -4.948 -1.748 -4.144 1.00 0.00 N ATOM 1063 CA MET A 69 -3.917 -2.541 -3.483 1.00 0.00 C ATOM 1064 C MET A 69 -4.336 -2.900 -2.061 1.00 0.00 C ATOM 1065 O MET A 69 -4.057 -3.998 -1.581 1.00 0.00 O ATOM 1066 CB MET A 69 -2.592 -1.775 -3.458 1.00 0.00 C ATOM 1067 CG MET A 69 -1.952 -1.625 -4.828 1.00 0.00 C ATOM 1068 SD MET A 69 -1.414 -3.200 -5.520 1.00 0.00 S ATOM 1069 CE MET A 69 -0.150 -3.673 -4.344 1.00 0.00 C ATOM 0 H MET A 69 -4.611 -0.879 -4.558 1.00 0.00 H new ATOM 0 HA MET A 69 -3.785 -3.464 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.762 -0.785 -3.035 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.896 -2.290 -2.795 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.664 -1.158 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.096 -0.954 -4.753 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.815 -3.725 -4.848 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.102 -2.934 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.392 -4.649 -3.923 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.009 -1.969 -1.394 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.466 -2.189 -0.026 1.00 0.00 C ATOM 1081 C ASN A 70 -6.255 -3.490 0.081 1.00 0.00 C ATOM 1082 O ASN A 70 -7.416 -3.558 -0.319 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.330 -1.015 0.440 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.140 -1.349 1.678 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.715 -2.144 2.516 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.315 -0.742 1.797 1.00 0.00 N ATOM 0 H ASN A 70 -5.250 -1.055 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.589 -2.263 0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.691 -0.157 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.005 -0.722 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.905 -0.928 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.627 -0.090 1.077 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.616 -4.521 0.626 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.273 -5.806 0.777 1.00 0.00 C ATOM 1095 C GLY A 71 -5.921 -6.771 -0.338 1.00 0.00 C ATOM 1096 O GLY A 71 -6.752 -7.577 -0.758 1.00 0.00 O ATOM 0 H GLY A 71 -4.655 -4.489 0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.992 -6.244 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.353 -5.658 0.798 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.685 -6.690 -0.820 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.223 -7.563 -1.892 1.00 0.00 C ATOM 1102 C LYS A 72 -3.366 -8.698 -1.340 1.00 0.00 C ATOM 1103 O LYS A 72 -2.982 -8.684 -0.172 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.425 -6.762 -2.923 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.277 -6.196 -4.047 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.749 -7.289 -4.992 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.930 -7.309 -6.274 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.777 -7.581 -7.468 1.00 0.00 N ATOM 0 H LYS A 72 -3.985 -6.028 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.099 -7.995 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.914 -5.942 -2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.654 -7.403 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.140 -5.679 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.702 -5.456 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.675 -8.257 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.801 -7.134 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.425 -6.351 -6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.154 -8.071 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.183 -7.587 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.239 -8.507 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.502 -6.840 -7.556 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.069 -9.677 -2.190 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.257 -10.817 -1.786 1.00 0.00 C ATOM 1124 C GLU A 73 -0.985 -10.904 -2.625 1.00 0.00 C ATOM 1125 O GLU A 73 -1.005 -11.399 -3.752 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.057 -12.115 -1.917 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.222 -13.368 -1.718 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.028 -14.640 -1.894 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.627 -15.106 -0.903 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.058 -15.170 -3.025 1.00 0.00 O ATOM 0 H GLU A 73 -3.379 -9.702 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.975 -10.677 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.866 -12.108 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.519 -12.149 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.395 -13.365 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.785 -13.354 -0.719 1.00 0.00 H new ATOM 1137 N ILE A 74 0.120 -10.419 -2.067 1.00 0.00 N ATOM 1138 CA ILE A 74 1.400 -10.442 -2.763 1.00 0.00 C ATOM 1139 C ILE A 74 2.239 -11.639 -2.330 1.00 0.00 C ATOM 1140 O ILE A 74 2.623 -11.751 -1.166 1.00 0.00 O ATOM 1141 CB ILE A 74 2.200 -9.150 -2.513 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.365 -7.925 -2.893 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.503 -9.174 -3.299 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.987 -6.614 -2.466 1.00 0.00 C ATOM 0 H ILE A 74 0.154 -10.006 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 74 1.180 -10.522 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 74 2.439 -9.088 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.221 -7.915 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.377 -8.014 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.058 -8.254 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.102 -10.029 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.284 -9.256 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.341 -5.789 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.106 -6.604 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.963 -6.503 -2.939 1.00 0.00 H new ATOM 1156 N GLU A 75 2.523 -12.529 -3.275 1.00 0.00 N ATOM 1157 CA GLU A 75 3.319 -13.717 -2.991 1.00 0.00 C ATOM 1158 C GLU A 75 2.639 -14.589 -1.938 1.00 0.00 C ATOM 1159 O GLU A 75 3.301 -15.290 -1.176 1.00 0.00 O ATOM 1160 CB GLU A 75 4.717 -13.320 -2.513 1.00 0.00 C ATOM 1161 CG GLU A 75 5.838 -14.041 -3.241 1.00 0.00 C ATOM 1162 CD GLU A 75 6.034 -13.536 -4.657 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.598 -12.403 -4.949 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.624 -14.274 -5.474 1.00 0.00 O ATOM 0 H GLU A 75 2.214 -12.450 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 75 3.408 -14.292 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.844 -12.245 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.798 -13.525 -1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.766 -13.918 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.621 -15.109 -3.267 1.00 0.00 H new ATOM 1171 N GLY A 76 1.311 -14.537 -1.905 1.00 0.00 N ATOM 1172 CA GLY A 76 0.562 -15.325 -0.944 1.00 0.00 C ATOM 1173 C GLY A 76 0.725 -14.816 0.475 1.00 0.00 C ATOM 1174 O GLY A 76 0.571 -15.572 1.434 1.00 0.00 O ATOM 0 H GLY A 76 0.741 -13.963 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.494 -15.312 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.891 -16.363 -0.995 1.00 0.00 H new ATOM 1178 N GLU A 77 1.036 -13.531 0.608 1.00 0.00 N ATOM 1179 CA GLU A 77 1.221 -12.922 1.921 1.00 0.00 C ATOM 1180 C GLU A 77 0.295 -11.724 2.100 1.00 0.00 C ATOM 1181 O GLU A 77 0.290 -10.802 1.284 1.00 0.00 O ATOM 1182 CB GLU A 77 2.677 -12.488 2.106 1.00 0.00 C ATOM 1183 CG GLU A 77 3.605 -13.625 2.499 1.00 0.00 C ATOM 1184 CD GLU A 77 3.668 -13.835 3.999 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.716 -14.421 4.556 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.669 -13.414 4.617 1.00 0.00 O ATOM 0 H GLU A 77 1.165 -12.891 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 77 0.973 -13.667 2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.035 -12.042 1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.722 -11.713 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.269 -14.545 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.607 -13.418 2.123 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.488 -11.743 3.175 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.420 -10.659 3.460 1.00 0.00 C ATOM 1195 C GLU A 78 -0.676 -9.341 3.655 1.00 0.00 C ATOM 1196 O GLU A 78 -0.059 -9.113 4.695 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.246 -10.981 4.708 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.341 -12.005 4.465 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.704 -11.518 4.915 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -5.070 -10.374 4.571 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.408 -12.282 5.610 1.00 0.00 O ATOM 0 H GLU A 78 -0.495 -12.497 3.862 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.090 -10.556 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.581 -11.351 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.696 -10.062 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.378 -12.247 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.096 -12.926 4.993 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.742 -8.477 2.647 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.076 -7.182 2.707 1.00 0.00 C ATOM 1210 C ILE A 79 -1.030 -6.095 3.192 1.00 0.00 C ATOM 1211 O ILE A 79 -2.200 -6.068 2.810 1.00 0.00 O ATOM 1212 CB ILE A 79 0.492 -6.776 1.335 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.634 -6.672 0.304 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.544 -7.777 0.879 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.858 -5.266 -0.207 1.00 0.00 C ATOM 0 H ILE A 79 -1.250 -8.651 1.780 1.00 0.00 H new ATOM 0 HA ILE A 79 0.746 -7.283 3.415 1.00 0.00 H new ATOM 0 HB ILE A 79 0.966 -5.799 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.405 -7.324 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.558 -7.040 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.936 -7.476 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.357 -7.807 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.094 -8.766 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.670 -5.268 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.118 -4.613 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.053 -4.902 -0.682 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.521 -5.201 4.033 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.329 -4.111 4.569 1.00 0.00 C ATOM 1229 C GLU A 80 -0.892 -2.771 3.982 1.00 0.00 C ATOM 1230 O GLU A 80 0.257 -2.606 3.575 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.224 -4.071 6.095 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.392 -3.368 6.767 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.492 -3.689 8.246 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.905 -4.818 8.581 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -2.158 -2.809 9.067 1.00 0.00 O ATOM 0 H GLU A 80 0.446 -5.209 4.358 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.367 -4.290 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.158 -5.091 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.298 -3.568 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.286 -2.291 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.319 -3.658 6.272 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.819 -1.820 3.943 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.530 -0.495 3.407 1.00 0.00 C ATOM 1244 C ILE A 81 -2.237 0.589 4.213 1.00 0.00 C ATOM 1245 O ILE A 81 -3.451 0.540 4.412 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.954 -0.381 1.931 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.385 -1.549 1.123 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.493 0.948 1.350 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.796 -1.532 -0.333 1.00 0.00 C ATOM 0 H ILE A 81 -2.776 -1.942 4.276 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.452 -0.353 3.479 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.042 -0.422 1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.297 -1.528 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.712 -2.486 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.800 1.015 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.942 1.766 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.407 1.016 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.357 -2.388 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.882 -1.584 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.445 -0.611 -0.799 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.469 1.571 4.675 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.022 2.671 5.456 1.00 0.00 C ATOM 1263 C VAL A 82 -1.409 4.003 5.039 1.00 0.00 C ATOM 1264 O VAL A 82 -0.223 4.082 4.719 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.786 2.461 6.965 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.513 1.217 7.450 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.297 2.369 7.264 1.00 0.00 C ATOM 0 H VAL A 82 -0.462 1.627 4.522 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.094 2.690 5.261 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.188 3.321 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.335 1.084 8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.583 1.328 7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.143 0.346 6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.149 2.221 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.132 1.529 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.194 3.292 6.954 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.228 5.051 5.044 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.767 6.382 4.667 1.00 0.00 C ATOM 1279 C LEU A 83 -0.708 6.890 5.640 1.00 0.00 C ATOM 1280 O LEU A 83 -0.962 7.019 6.838 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.946 7.358 4.624 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.716 7.423 3.306 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.174 7.775 3.556 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.076 8.433 2.364 1.00 0.00 C ATOM 0 H LEU A 83 -3.213 5.004 5.305 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.320 6.316 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.644 7.088 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.574 8.356 4.854 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.676 6.441 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.706 7.817 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.628 7.016 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.235 8.745 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.637 8.466 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.085 9.419 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.047 8.138 2.158 1.00 0.00 H new ATOM 1296 N ALA A 84 0.480 7.177 5.117 1.00 0.00 N ATOM 1297 CA ALA A 84 1.576 7.674 5.939 1.00 0.00 C ATOM 1298 C ALA A 84 1.515 9.191 6.078 1.00 0.00 C ATOM 1299 O ALA A 84 1.514 9.916 5.083 1.00 0.00 O ATOM 1300 CB ALA A 84 2.912 7.250 5.349 1.00 0.00 C ATOM 0 H ALA A 84 0.707 7.074 4.128 1.00 0.00 H new ATOM 0 HA ALA A 84 1.476 7.240 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.722 7.628 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.963 6.162 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.010 7.656 4.342 1.00 0.00 H new ATOM 1306 N LYS A 85 1.463 9.665 7.318 1.00 0.00 N ATOM 1307 CA LYS A 85 1.401 11.097 7.588 1.00 0.00 C ATOM 1308 C LYS A 85 2.760 11.624 8.037 1.00 0.00 C ATOM 1309 O LYS A 85 3.566 10.907 8.629 1.00 0.00 O ATOM 1310 CB LYS A 85 0.348 11.389 8.661 1.00 0.00 C ATOM 1311 CG LYS A 85 0.631 10.714 9.991 1.00 0.00 C ATOM 1312 CD LYS A 85 1.157 11.703 11.018 1.00 0.00 C ATOM 1313 CE LYS A 85 0.623 11.398 12.409 1.00 0.00 C ATOM 1314 NZ LYS A 85 0.572 12.617 13.263 1.00 0.00 N ATOM 0 H LYS A 85 1.463 9.078 8.152 1.00 0.00 H new ATOM 0 HA LYS A 85 1.121 11.605 6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.288 12.466 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.627 11.064 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.281 10.250 10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.359 9.916 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.246 11.672 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.870 12.715 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.376 10.969 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.255 10.648 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.203 12.367 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.529 13.013 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.051 13.324 12.823 1.00 0.00 H new ATOM 1328 N PRO A 86 3.020 12.909 7.751 1.00 0.00 N ATOM 1329 CA PRO A 86 4.280 13.561 8.119 1.00 0.00 C ATOM 1330 C PRO A 86 4.409 13.769 9.624 1.00 0.00 C ATOM 1331 O PRO A 86 3.448 13.621 10.379 1.00 0.00 O ATOM 1332 CB PRO A 86 4.205 14.909 7.398 1.00 0.00 C ATOM 1333 CG PRO A 86 2.747 15.170 7.233 1.00 0.00 C ATOM 1334 CD PRO A 86 2.104 13.823 7.048 1.00 0.00 C ATOM 0 HA PRO A 86 5.146 12.960 7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.685 15.696 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.712 14.871 6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.340 15.680 8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.560 15.813 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.101 13.794 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.009 13.564 5.993 1.00 0.00 H new ATOM 1342 N PRO A 87 5.622 14.121 10.073 1.00 0.00 N ATOM 1343 CA PRO A 87 5.905 14.357 11.492 1.00 0.00 C ATOM 1344 C PRO A 87 5.236 15.626 12.012 1.00 0.00 C ATOM 1345 O PRO A 87 4.846 16.497 11.235 1.00 0.00 O ATOM 1346 CB PRO A 87 7.428 14.501 11.532 1.00 0.00 C ATOM 1347 CG PRO A 87 7.802 14.958 10.164 1.00 0.00 C ATOM 1348 CD PRO A 87 6.814 14.317 9.229 1.00 0.00 C ATOM 0 HA PRO A 87 5.523 13.554 12.123 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.738 15.222 12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.909 13.554 11.778 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.760 16.045 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.821 14.661 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.599 14.956 8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.188 13.372 8.836 1.00 0.00 H new ATOM 1356 N ASP A 88 5.108 15.722 13.331 1.00 0.00 N ATOM 1357 CA ASP A 88 4.488 16.886 13.955 1.00 0.00 C ATOM 1358 C ASP A 88 5.124 17.178 15.311 1.00 0.00 C ATOM 1359 O ASP A 88 4.428 17.371 16.307 1.00 0.00 O ATOM 1360 CB ASP A 88 2.985 16.661 14.121 1.00 0.00 C ATOM 1361 CG ASP A 88 2.241 17.943 14.445 1.00 0.00 C ATOM 1362 OD1 ASP A 88 2.692 19.018 14.002 1.00 0.00 O ATOM 1363 OD2 ASP A 88 1.207 17.868 15.142 1.00 0.00 O ATOM 0 H ASP A 88 5.425 15.009 13.988 1.00 0.00 H new ATOM 0 HA ASP A 88 4.649 17.746 13.305 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.581 16.231 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.815 15.934 14.915 1.00 0.00 H new ATOM 1368 N LYS A 89 6.452 17.208 15.341 1.00 0.00 N ATOM 1369 CA LYS A 89 7.185 17.477 16.573 1.00 0.00 C ATOM 1370 C LYS A 89 6.748 16.525 17.683 1.00 0.00 C ATOM 1371 O LYS A 89 6.040 16.919 18.610 1.00 0.00 O ATOM 1372 CB LYS A 89 6.967 18.926 17.014 1.00 0.00 C ATOM 1373 CG LYS A 89 7.509 19.948 16.031 1.00 0.00 C ATOM 1374 CD LYS A 89 8.167 21.116 16.747 1.00 0.00 C ATOM 1375 CE LYS A 89 7.144 21.958 17.495 1.00 0.00 C ATOM 1376 NZ LYS A 89 7.706 23.273 17.910 1.00 0.00 N ATOM 0 H LYS A 89 7.043 17.049 14.525 1.00 0.00 H new ATOM 0 HA LYS A 89 8.246 17.319 16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.900 19.098 17.153 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.443 19.078 17.983 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.233 19.471 15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.698 20.316 15.403 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.914 20.741 17.447 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.693 21.738 16.023 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.273 22.119 16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.801 21.415 18.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.979 23.817 18.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.522 23.120 18.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.010 23.802 17.068 1.00 0.00 H new ATOM 1390 N LYS A 90 7.176 15.271 17.584 1.00 0.00 N ATOM 1391 CA LYS A 90 6.833 14.265 18.581 1.00 0.00 C ATOM 1392 C LYS A 90 7.438 14.612 19.937 1.00 0.00 C ATOM 1393 O LYS A 90 8.285 15.500 20.041 1.00 0.00 O ATOM 1394 CB LYS A 90 7.322 12.885 18.133 1.00 0.00 C ATOM 1395 CG LYS A 90 6.240 12.037 17.488 1.00 0.00 C ATOM 1396 CD LYS A 90 6.816 10.770 16.875 1.00 0.00 C ATOM 1397 CE LYS A 90 7.134 9.731 17.939 1.00 0.00 C ATOM 1398 NZ LYS A 90 7.713 8.492 17.348 1.00 0.00 N ATOM 0 H LYS A 90 7.761 14.927 16.823 1.00 0.00 H new ATOM 0 HA LYS A 90 5.748 14.246 18.681 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.143 13.011 17.427 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.723 12.353 18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.490 11.773 18.234 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.733 12.617 16.717 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.105 10.355 16.160 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.722 11.013 16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.835 10.152 18.660 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.225 9.482 18.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.916 7.808 18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.034 8.076 16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.594 8.725 16.847 1.00 0.00 H new ATOM 1412 N ARG A 91 6.997 13.908 20.975 1.00 0.00 N ATOM 1413 CA ARG A 91 7.495 14.143 22.325 1.00 0.00 C ATOM 1414 C ARG A 91 8.846 13.465 22.532 1.00 0.00 C ATOM 1415 O ARG A 91 8.916 12.328 22.998 1.00 0.00 O ATOM 1416 CB ARG A 91 6.491 13.630 23.358 1.00 0.00 C ATOM 1417 CG ARG A 91 6.879 13.947 24.794 1.00 0.00 C ATOM 1418 CD ARG A 91 6.021 13.177 25.785 1.00 0.00 C ATOM 1419 NE ARG A 91 6.610 11.887 26.133 1.00 0.00 N ATOM 1420 CZ ARG A 91 6.065 11.039 26.999 1.00 0.00 C ATOM 1421 NH1 ARG A 91 4.922 11.343 27.599 1.00 0.00 N ATOM 1422 NH2 ARG A 91 6.662 9.883 27.262 1.00 0.00 N ATOM 0 H ARG A 91 6.296 13.170 20.907 1.00 0.00 H new ATOM 0 HA ARG A 91 7.624 15.217 22.456 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.514 14.066 23.150 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.389 12.550 23.248 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.929 13.700 24.951 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.773 15.017 24.973 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.890 13.771 26.689 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.029 13.020 25.360 1.00 0.00 H new ATOM 0 HE ARG A 91 7.488 11.622 25.687 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.459 12.229 27.396 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.505 10.691 28.263 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.539 9.645 26.799 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.243 9.232 27.927 1.00 0.00 H new ATOM 1436 N SER A 92 9.917 14.170 22.181 1.00 0.00 N ATOM 1437 CA SER A 92 11.266 13.634 22.324 1.00 0.00 C ATOM 1438 C SER A 92 12.182 14.645 23.006 1.00 0.00 C ATOM 1439 O SER A 92 12.059 15.851 22.798 1.00 0.00 O ATOM 1440 CB SER A 92 11.835 13.255 20.954 1.00 0.00 C ATOM 1441 OG SER A 92 12.425 11.967 20.987 1.00 0.00 O ATOM 0 H SER A 92 9.877 15.114 21.796 1.00 0.00 H new ATOM 0 HA SER A 92 11.212 12.741 22.947 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.041 13.276 20.208 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.578 13.992 20.649 1.00 0.00 H new ATOM 0 HG SER A 92 12.780 11.747 20.100 1.00 0.00 H new ATOM 1447 N GLY A 93 13.103 14.143 23.822 1.00 0.00 N ATOM 1448 CA GLY A 93 14.028 15.015 24.524 1.00 0.00 C ATOM 1449 C GLY A 93 15.332 14.322 24.866 1.00 0.00 C ATOM 1450 O GLY A 93 15.609 14.010 26.024 1.00 0.00 O ATOM 0 H GLY A 93 13.226 13.148 24.010 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.236 15.890 23.908 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.560 15.374 25.440 1.00 0.00 H new ATOM 1454 N PRO A 94 16.159 14.069 23.840 1.00 0.00 N ATOM 1455 CA PRO A 94 17.454 13.405 24.013 1.00 0.00 C ATOM 1456 C PRO A 94 18.465 14.286 24.738 1.00 0.00 C ATOM 1457 O PRO A 94 18.126 15.362 25.229 1.00 0.00 O ATOM 1458 CB PRO A 94 17.910 13.139 22.576 1.00 0.00 C ATOM 1459 CG PRO A 94 17.216 14.174 21.760 1.00 0.00 C ATOM 1460 CD PRO A 94 15.893 14.413 22.433 1.00 0.00 C ATOM 0 HA PRO A 94 17.373 12.505 24.623 1.00 0.00 H new ATOM 0 HB2 PRO A 94 18.993 13.222 22.483 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.638 12.134 22.254 1.00 0.00 H new ATOM 0 HG2 PRO A 94 17.802 15.092 21.714 1.00 0.00 H new ATOM 0 HG3 PRO A 94 17.076 13.833 20.734 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.569 15.448 22.327 1.00 0.00 H new ATOM 0 HD3 PRO A 94 15.107 13.788 22.008 1.00 0.00 H new ATOM 1468 N SER A 95 19.710 13.822 24.802 1.00 0.00 N ATOM 1469 CA SER A 95 20.769 14.567 25.470 1.00 0.00 C ATOM 1470 C SER A 95 21.460 15.521 24.498 1.00 0.00 C ATOM 1471 O SER A 95 22.456 15.168 23.869 1.00 0.00 O ATOM 1472 CB SER A 95 21.795 13.605 26.074 1.00 0.00 C ATOM 1473 OG SER A 95 21.192 12.754 27.033 1.00 0.00 O ATOM 0 H SER A 95 20.009 12.934 24.399 1.00 0.00 H new ATOM 0 HA SER A 95 20.317 15.155 26.269 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.246 13.005 25.283 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.600 14.173 26.541 1.00 0.00 H new ATOM 0 HG SER A 95 21.867 12.148 27.403 1.00 0.00 H new ATOM 1479 N SER A 96 20.921 16.730 24.383 1.00 0.00 N ATOM 1480 CA SER A 96 21.481 17.734 23.487 1.00 0.00 C ATOM 1481 C SER A 96 21.478 17.236 22.044 1.00 0.00 C ATOM 1482 O SER A 96 21.042 16.120 21.761 1.00 0.00 O ATOM 1483 CB SER A 96 22.907 18.089 23.913 1.00 0.00 C ATOM 1484 OG SER A 96 23.094 17.874 25.300 1.00 0.00 O ATOM 0 H SER A 96 20.097 17.038 24.899 1.00 0.00 H new ATOM 0 HA SER A 96 20.859 18.627 23.546 1.00 0.00 H new ATOM 0 HB2 SER A 96 23.619 17.486 23.349 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.112 19.132 23.673 1.00 0.00 H new ATOM 0 HG SER A 96 24.014 18.107 25.546 1.00 0.00 H new ATOM 1490 N GLY A 97 21.967 18.073 21.135 1.00 0.00 N ATOM 1491 CA GLY A 97 22.012 17.702 19.733 1.00 0.00 C ATOM 1492 C GLY A 97 20.652 17.783 19.068 1.00 0.00 C ATOM 1493 O GLY A 97 19.708 17.115 19.487 1.00 0.00 O ATOM 0 H GLY A 97 22.333 19.002 21.344 1.00 0.00 H new ATOM 0 HA2 GLY A 97 22.709 18.357 19.209 1.00 0.00 H new ATOM 0 HA3 GLY A 97 22.398 16.687 19.641 1.00 0.00 H new TER 1497 GLY A 97