USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 SER N :NH3+ 179:sc= 0 (180deg=-0.00298) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0993 USER MOD Single : A 10 SER OG : rot -95:sc= -1.04! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= 0.292 (180deg=-0.627) USER MOD Single : A 23 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.046) USER MOD Single : A 25 SER OG : rot 127:sc= 0.0967 USER MOD Single : A 27 ASN : amide:sc= -1.67! C(o=-1.7!,f=-4.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 172:sc= -1.58! USER MOD Single : A 48 GLN : amide:sc= -2.11! C(o=-2.1!,f=-5.1!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0354 (180deg=-0.478) USER MOD Single : A 52 SER OG : rot -111:sc= -1.59! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.77 USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.15) USER MOD Single : A 69 ASN : amide:sc= -4.12! C(o=-4.1!,f=-7.8!) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= -0.0162 (180deg=-0.346) USER MOD Single : A 74 GLN : amide:sc= -2.47! C(o=-2.5!,f=-11!) USER MOD Single : A 82 SER OG : rot -89:sc= 0.145 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -25:sc= -2.14! USER MOD Single : A 88 THR OG1 : rot -49:sc= 0.333 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -55:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 98.366 4.748 4.963 1.00 0.00 N ATOM 2 CA SER A 1 97.821 5.776 5.897 1.00 0.00 C ATOM 3 C SER A 1 98.875 6.152 6.942 1.00 0.00 C ATOM 4 O SER A 1 98.589 6.249 8.119 1.00 0.00 O ATOM 5 CB SER A 1 96.621 5.106 6.563 1.00 0.00 C ATOM 6 OG SER A 1 95.422 5.674 6.050 1.00 0.00 O ATOM 0 H1 SER A 1 97.637 4.488 4.269 1.00 0.00 H new ATOM 0 H2 SER A 1 99.194 5.134 4.467 1.00 0.00 H new ATOM 0 H3 SER A 1 98.648 3.904 5.502 1.00 0.00 H new ATOM 0 HA SER A 1 97.542 6.696 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 1 96.638 4.033 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 1 96.668 5.241 7.644 1.00 0.00 H new ATOM 0 HG SER A 1 94.649 5.245 6.474 1.00 0.00 H new ATOM 14 N HIS A 2 100.091 6.367 6.521 1.00 0.00 N ATOM 15 CA HIS A 2 101.162 6.737 7.491 1.00 0.00 C ATOM 16 C HIS A 2 101.575 8.198 7.290 1.00 0.00 C ATOM 17 O HIS A 2 102.658 8.603 7.666 1.00 0.00 O ATOM 18 CB HIS A 2 102.327 5.800 7.172 1.00 0.00 C ATOM 19 CG HIS A 2 102.957 5.329 8.454 1.00 0.00 C ATOM 20 ND1 HIS A 2 103.879 6.095 9.150 1.00 0.00 N ATOM 21 CD2 HIS A 2 102.808 4.173 9.179 1.00 0.00 C ATOM 22 CE1 HIS A 2 104.246 5.397 10.240 1.00 0.00 C ATOM 23 NE2 HIS A 2 103.622 4.218 10.306 1.00 0.00 N ATOM 0 H HIS A 2 100.390 6.303 5.548 1.00 0.00 H new ATOM 0 HA HIS A 2 100.834 6.640 8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 2 101.973 4.947 6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 2 103.066 6.317 6.559 1.00 0.00 H new ATOM 0 HD2 HIS A 2 102.157 3.353 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 2 104.958 5.747 10.972 1.00 0.00 H new ATOM 0 HE2 HIS A 2 103.721 3.504 11.028 1.00 0.00 H new ATOM 31 N MET A 3 100.724 8.990 6.700 1.00 0.00 N ATOM 32 CA MET A 3 101.071 10.422 6.476 1.00 0.00 C ATOM 33 C MET A 3 99.807 11.286 6.515 1.00 0.00 C ATOM 34 O MET A 3 98.879 11.011 7.249 1.00 0.00 O ATOM 35 CB MET A 3 101.705 10.464 5.085 1.00 0.00 C ATOM 36 CG MET A 3 102.897 11.421 5.095 1.00 0.00 C ATOM 37 SD MET A 3 102.737 12.600 3.731 1.00 0.00 S ATOM 38 CE MET A 3 104.455 13.168 3.717 1.00 0.00 C ATOM 0 H MET A 3 99.803 8.708 6.363 1.00 0.00 H new ATOM 0 HA MET A 3 101.743 10.808 7.242 1.00 0.00 H new ATOM 0 HB2 MET A 3 102.029 9.466 4.792 1.00 0.00 H new ATOM 0 HB3 MET A 3 100.970 10.790 4.349 1.00 0.00 H new ATOM 0 HG2 MET A 3 102.942 11.952 6.046 1.00 0.00 H new ATOM 0 HG3 MET A 3 103.827 10.861 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 3 104.585 13.916 2.935 1.00 0.00 H new ATOM 0 HE2 MET A 3 104.701 13.608 4.684 1.00 0.00 H new ATOM 0 HE3 MET A 3 105.116 12.323 3.524 1.00 0.00 H new ATOM 48 N LEU A 4 99.765 12.328 5.731 1.00 0.00 N ATOM 49 CA LEU A 4 98.560 13.207 5.725 1.00 0.00 C ATOM 50 C LEU A 4 97.317 12.399 5.343 1.00 0.00 C ATOM 51 O LEU A 4 97.365 11.534 4.492 1.00 0.00 O ATOM 52 CB LEU A 4 98.853 14.272 4.668 1.00 0.00 C ATOM 53 CG LEU A 4 98.906 15.650 5.331 1.00 0.00 C ATOM 54 CD1 LEU A 4 97.542 15.974 5.943 1.00 0.00 C ATOM 55 CD2 LEU A 4 99.970 15.645 6.430 1.00 0.00 C ATOM 0 H LEU A 4 100.511 12.609 5.095 1.00 0.00 H new ATOM 0 HA LEU A 4 98.364 13.646 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 4 99.801 14.058 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 4 98.082 14.257 3.898 1.00 0.00 H new ATOM 0 HG LEU A 4 99.157 16.404 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 4 97.579 16.956 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 4 96.783 15.976 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 97.290 15.221 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 4 100.009 16.626 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 4 99.718 14.892 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 4 100.942 15.414 5.994 1.00 0.00 H new ATOM 67 N GLU A 5 96.204 12.675 5.965 1.00 0.00 N ATOM 68 CA GLU A 5 94.959 11.924 5.637 1.00 0.00 C ATOM 69 C GLU A 5 93.747 12.858 5.692 1.00 0.00 C ATOM 70 O GLU A 5 93.860 14.016 6.043 1.00 0.00 O ATOM 71 CB GLU A 5 94.853 10.844 6.715 1.00 0.00 C ATOM 72 CG GLU A 5 94.563 11.498 8.067 1.00 0.00 C ATOM 73 CD GLU A 5 95.352 10.781 9.163 1.00 0.00 C ATOM 74 OE1 GLU A 5 96.509 10.474 8.928 1.00 0.00 O ATOM 75 OE2 GLU A 5 94.785 10.550 10.218 1.00 0.00 O ATOM 0 H GLU A 5 96.103 13.389 6.687 1.00 0.00 H new ATOM 0 HA GLU A 5 94.986 11.498 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 5 94.060 10.140 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 5 95.781 10.274 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 5 94.837 12.553 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 5 93.496 11.452 8.283 1.00 0.00 H new ATOM 82 N ASP A 6 92.588 12.365 5.349 1.00 0.00 N ATOM 83 CA ASP A 6 91.373 13.227 5.383 1.00 0.00 C ATOM 84 C ASP A 6 91.246 13.908 6.748 1.00 0.00 C ATOM 85 O ASP A 6 91.830 13.467 7.718 1.00 0.00 O ATOM 86 CB ASP A 6 90.203 12.272 5.148 1.00 0.00 C ATOM 87 CG ASP A 6 90.482 11.415 3.912 1.00 0.00 C ATOM 88 OD1 ASP A 6 90.359 11.934 2.816 1.00 0.00 O ATOM 89 OD2 ASP A 6 90.814 10.253 4.084 1.00 0.00 O ATOM 0 H ASP A 6 92.430 11.404 5.047 1.00 0.00 H new ATOM 0 HA ASP A 6 91.408 14.020 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 6 90.060 11.635 6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 6 89.281 12.837 5.011 1.00 0.00 H new ATOM 94 N PRO A 7 90.481 14.963 6.774 1.00 0.00 N ATOM 95 CA PRO A 7 90.267 15.720 8.032 1.00 0.00 C ATOM 96 C PRO A 7 89.365 14.929 8.983 1.00 0.00 C ATOM 97 O PRO A 7 88.942 13.829 8.684 1.00 0.00 O ATOM 98 CB PRO A 7 89.578 17.001 7.567 1.00 0.00 C ATOM 99 CG PRO A 7 88.918 16.638 6.275 1.00 0.00 C ATOM 100 CD PRO A 7 89.748 15.547 5.646 1.00 0.00 C ATOM 0 HA PRO A 7 91.190 15.914 8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.848 17.345 8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 7 90.297 17.809 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.897 16.296 6.446 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.857 17.504 5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 7 89.122 14.805 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 7 90.427 15.946 4.893 1.00 0.00 H new ATOM 108 N CYS A 8 89.067 15.478 10.129 1.00 0.00 N ATOM 109 CA CYS A 8 88.194 14.755 11.098 1.00 0.00 C ATOM 110 C CYS A 8 86.721 14.938 10.723 1.00 0.00 C ATOM 111 O CYS A 8 85.886 14.108 11.024 1.00 0.00 O ATOM 112 CB CYS A 8 88.487 15.400 12.452 1.00 0.00 C ATOM 113 SG CYS A 8 87.802 14.368 13.772 1.00 0.00 S ATOM 0 H CYS A 8 89.390 16.395 10.436 1.00 0.00 H new ATOM 0 HA CYS A 8 88.387 13.682 11.107 1.00 0.00 H new ATOM 0 HB2 CYS A 8 89.562 15.515 12.587 1.00 0.00 H new ATOM 0 HB3 CYS A 8 88.052 16.398 12.493 1.00 0.00 H new ATOM 0 HG CYS A 8 88.052 14.915 14.925 1.00 0.00 H new ATOM 119 N THR A 9 86.395 16.019 10.069 1.00 0.00 N ATOM 120 CA THR A 9 84.984 16.256 9.679 1.00 0.00 C ATOM 121 C THR A 9 84.400 14.994 9.045 1.00 0.00 C ATOM 122 O THR A 9 83.258 14.643 9.266 1.00 0.00 O ATOM 123 CB THR A 9 85.036 17.396 8.661 1.00 0.00 C ATOM 124 OG1 THR A 9 85.995 18.357 9.080 1.00 0.00 O ATOM 125 CG2 THR A 9 83.660 18.056 8.559 1.00 0.00 C ATOM 0 H THR A 9 87.050 16.749 9.789 1.00 0.00 H new ATOM 0 HA THR A 9 84.354 16.507 10.533 1.00 0.00 H new ATOM 0 HB THR A 9 85.318 17.000 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 9 86.032 19.088 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 9 83.699 18.868 7.833 1.00 0.00 H new ATOM 0 HG22 THR A 9 82.925 17.318 8.238 1.00 0.00 H new ATOM 0 HG23 THR A 9 83.374 18.453 9.533 1.00 0.00 H new ATOM 133 N SER A 10 85.185 14.313 8.259 1.00 0.00 N ATOM 134 CA SER A 10 84.695 13.066 7.599 1.00 0.00 C ATOM 135 C SER A 10 83.252 13.246 7.122 1.00 0.00 C ATOM 136 O SER A 10 82.353 12.553 7.556 1.00 0.00 O ATOM 137 CB SER A 10 84.771 11.992 8.682 1.00 0.00 C ATOM 138 OG SER A 10 84.408 12.559 9.934 1.00 0.00 O ATOM 0 H SER A 10 86.149 14.565 8.043 1.00 0.00 H new ATOM 0 HA SER A 10 85.286 12.805 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.104 11.165 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 10 85.780 11.583 8.734 1.00 0.00 H new ATOM 0 HG SER A 10 85.216 12.838 10.413 1.00 0.00 H new ATOM 144 N LYS A 11 83.023 14.171 6.231 1.00 0.00 N ATOM 145 CA LYS A 11 81.637 14.393 5.727 1.00 0.00 C ATOM 146 C LYS A 11 81.376 13.514 4.503 1.00 0.00 C ATOM 147 O LYS A 11 80.615 12.569 4.557 1.00 0.00 O ATOM 148 CB LYS A 11 81.586 15.873 5.348 1.00 0.00 C ATOM 149 CG LYS A 11 80.322 16.508 5.931 1.00 0.00 C ATOM 150 CD LYS A 11 80.625 17.941 6.369 1.00 0.00 C ATOM 151 CE LYS A 11 79.508 18.443 7.287 1.00 0.00 C ATOM 152 NZ LYS A 11 78.763 19.445 6.473 1.00 0.00 N ATOM 0 H LYS A 11 83.734 14.782 5.830 1.00 0.00 H new ATOM 0 HA LYS A 11 80.880 14.138 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 11 82.470 16.386 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 11 81.593 15.982 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.525 16.505 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 11 79.968 15.924 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.582 17.978 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.711 18.588 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 11 78.858 17.626 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 11 79.914 18.893 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 77.980 19.835 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 79.406 20.213 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 78.383 18.986 5.621 1.00 0.00 H new ATOM 166 N LYS A 12 81.999 13.816 3.397 1.00 0.00 N ATOM 167 CA LYS A 12 81.785 12.995 2.175 1.00 0.00 C ATOM 168 C LYS A 12 82.542 11.673 2.279 1.00 0.00 C ATOM 169 O LYS A 12 82.526 10.860 1.377 1.00 0.00 O ATOM 170 CB LYS A 12 82.335 13.843 1.034 1.00 0.00 C ATOM 171 CG LYS A 12 81.700 13.385 -0.272 1.00 0.00 C ATOM 172 CD LYS A 12 82.419 14.043 -1.452 1.00 0.00 C ATOM 173 CE LYS A 12 83.860 13.537 -1.518 1.00 0.00 C ATOM 174 NZ LYS A 12 84.170 13.446 -2.972 1.00 0.00 N ATOM 0 H LYS A 12 82.647 14.596 3.288 1.00 0.00 H new ATOM 0 HA LYS A 12 80.735 12.741 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 12 82.118 14.897 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 12 83.419 13.745 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 12 81.760 12.300 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 12 80.642 13.648 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 12 81.899 13.814 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 12 82.408 15.127 -1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 12 84.542 14.220 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 12 83.960 12.567 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 85.144 13.105 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 83.510 12.784 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 84.073 14.386 -3.407 1.00 0.00 H new ATOM 188 N VAL A 13 83.195 11.452 3.378 1.00 0.00 N ATOM 189 CA VAL A 13 83.949 10.181 3.560 1.00 0.00 C ATOM 190 C VAL A 13 83.057 9.150 4.250 1.00 0.00 C ATOM 191 O VAL A 13 83.280 7.959 4.161 1.00 0.00 O ATOM 192 CB VAL A 13 85.139 10.546 4.448 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.981 9.299 4.713 1.00 0.00 C ATOM 194 CG2 VAL A 13 85.996 11.599 3.742 1.00 0.00 C ATOM 0 H VAL A 13 83.242 12.099 4.165 1.00 0.00 H new ATOM 0 HA VAL A 13 84.273 9.747 2.614 1.00 0.00 H new ATOM 0 HB VAL A 13 84.776 10.946 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 13 86.829 9.560 5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.371 8.548 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 13 86.345 8.898 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 86.845 11.860 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 86.358 11.198 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 13 85.396 12.489 3.553 1.00 0.00 H new ATOM 204 N ARG A 14 82.042 9.602 4.938 1.00 0.00 N ATOM 205 CA ARG A 14 81.131 8.650 5.633 1.00 0.00 C ATOM 206 C ARG A 14 80.082 8.117 4.653 1.00 0.00 C ATOM 207 O ARG A 14 79.744 6.949 4.666 1.00 0.00 O ATOM 208 CB ARG A 14 80.467 9.471 6.738 1.00 0.00 C ATOM 209 CG ARG A 14 81.193 9.227 8.061 1.00 0.00 C ATOM 210 CD ARG A 14 80.597 10.125 9.147 1.00 0.00 C ATOM 211 NE ARG A 14 80.267 9.203 10.269 1.00 0.00 N ATOM 212 CZ ARG A 14 79.459 9.591 11.217 1.00 0.00 C ATOM 213 NH1 ARG A 14 79.864 10.456 12.106 1.00 0.00 N ATOM 214 NH2 ARG A 14 78.245 9.116 11.275 1.00 0.00 N ATOM 0 H ARG A 14 81.806 10.588 5.048 1.00 0.00 H new ATOM 0 HA ARG A 14 81.661 7.786 6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.496 10.531 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 14 79.417 9.194 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 14 81.101 8.180 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 14 82.257 9.434 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.307 10.890 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 14 79.708 10.643 8.787 1.00 0.00 H new ATOM 0 HE ARG A 14 80.673 8.268 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 14 80.812 10.829 12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 14 79.232 10.759 12.847 1.00 0.00 H new ATOM 0 HH21 ARG A 14 77.928 8.441 10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 14 77.613 9.419 12.016 1.00 0.00 H new ATOM 228 N ALA A 15 79.564 8.962 3.804 1.00 0.00 N ATOM 229 CA ALA A 15 78.540 8.502 2.828 1.00 0.00 C ATOM 230 C ALA A 15 79.211 7.858 1.613 1.00 0.00 C ATOM 231 O ALA A 15 78.557 7.463 0.668 1.00 0.00 O ATOM 232 CB ALA A 15 77.788 9.767 2.414 1.00 0.00 C ATOM 0 H ALA A 15 79.807 9.951 3.745 1.00 0.00 H new ATOM 0 HA ALA A 15 77.875 7.752 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.013 9.510 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.330 10.222 3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.485 10.473 1.962 1.00 0.00 H new ATOM 238 N ALA A 16 80.512 7.752 1.626 1.00 0.00 N ATOM 239 CA ALA A 16 81.216 7.137 0.466 1.00 0.00 C ATOM 240 C ALA A 16 81.358 5.628 0.667 1.00 0.00 C ATOM 241 O ALA A 16 81.363 4.864 -0.277 1.00 0.00 O ATOM 242 CB ALA A 16 82.589 7.808 0.431 1.00 0.00 C ATOM 0 H ALA A 16 81.116 8.064 2.387 1.00 0.00 H new ATOM 0 HA ALA A 16 80.671 7.279 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.169 7.406 -0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.465 8.883 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.113 7.614 1.367 1.00 0.00 H new ATOM 248 N ARG A 17 81.470 5.191 1.888 1.00 0.00 N ATOM 249 CA ARG A 17 81.605 3.730 2.141 1.00 0.00 C ATOM 250 C ARG A 17 80.233 3.124 2.442 1.00 0.00 C ATOM 251 O ARG A 17 80.125 2.112 3.105 1.00 0.00 O ATOM 252 CB ARG A 17 82.523 3.617 3.357 1.00 0.00 C ATOM 253 CG ARG A 17 81.849 4.262 4.568 1.00 0.00 C ATOM 254 CD ARG A 17 82.770 5.337 5.150 1.00 0.00 C ATOM 255 NE ARG A 17 83.628 4.619 6.131 1.00 0.00 N ATOM 256 CZ ARG A 17 83.103 4.116 7.215 1.00 0.00 C ATOM 257 NH1 ARG A 17 81.892 4.453 7.570 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.786 3.276 7.943 1.00 0.00 N ATOM 0 H ARG A 17 81.474 5.780 2.721 1.00 0.00 H new ATOM 0 HA ARG A 17 82.009 3.196 1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.742 2.570 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.475 4.107 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.896 4.703 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.632 3.506 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.370 5.807 4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.197 6.129 5.632 1.00 0.00 H new ATOM 0 HE ARG A 17 84.628 4.520 5.956 1.00 0.00 H new ATOM 0 HH11 ARG A 17 81.357 5.109 7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 17 81.481 4.060 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.731 3.012 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.375 2.884 8.790 1.00 0.00 H new ATOM 272 N THR A 18 79.183 3.736 1.966 1.00 0.00 N ATOM 273 CA THR A 18 77.823 3.187 2.235 1.00 0.00 C ATOM 274 C THR A 18 76.900 3.416 1.034 1.00 0.00 C ATOM 275 O THR A 18 76.924 4.459 0.410 1.00 0.00 O ATOM 276 CB THR A 18 77.317 3.961 3.453 1.00 0.00 C ATOM 277 OG1 THR A 18 77.981 3.491 4.618 1.00 0.00 O ATOM 278 CG2 THR A 18 75.809 3.752 3.603 1.00 0.00 C ATOM 0 H THR A 18 79.207 4.588 1.405 1.00 0.00 H new ATOM 0 HA THR A 18 77.845 2.112 2.411 1.00 0.00 H new ATOM 0 HB THR A 18 77.522 5.023 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.660 3.987 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.450 4.304 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.301 4.112 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.600 2.690 3.736 1.00 0.00 H new ATOM 286 N LEU A 19 76.084 2.450 0.713 1.00 0.00 N ATOM 287 CA LEU A 19 75.151 2.607 -0.440 1.00 0.00 C ATOM 288 C LEU A 19 73.814 1.926 -0.131 1.00 0.00 C ATOM 289 O LEU A 19 73.745 1.000 0.653 1.00 0.00 O ATOM 290 CB LEU A 19 75.847 1.925 -1.620 1.00 0.00 C ATOM 291 CG LEU A 19 76.245 0.501 -1.234 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.138 -0.470 -1.649 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.544 0.127 -1.950 1.00 0.00 C ATOM 0 H LEU A 19 76.023 1.556 1.200 1.00 0.00 H new ATOM 0 HA LEU A 19 74.933 3.653 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.183 1.905 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.731 2.493 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 19 76.392 0.444 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.423 -1.485 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.211 -0.203 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.991 -0.415 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.831 -0.888 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.395 0.184 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.334 0.819 -1.656 1.00 0.00 H new ATOM 305 N LEU A 20 72.754 2.388 -0.734 1.00 0.00 N ATOM 306 CA LEU A 20 71.417 1.775 -0.468 1.00 0.00 C ATOM 307 C LEU A 20 71.055 0.763 -1.561 1.00 0.00 C ATOM 308 O LEU A 20 70.967 1.099 -2.723 1.00 0.00 O ATOM 309 CB LEU A 20 70.437 2.949 -0.492 1.00 0.00 C ATOM 310 CG LEU A 20 69.137 2.544 0.203 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.192 2.964 1.673 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.958 3.238 -0.481 1.00 0.00 C ATOM 0 H LEU A 20 72.753 3.162 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 20 71.399 1.235 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.875 3.812 0.008 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.234 3.246 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 20 69.011 1.463 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.265 2.675 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.033 2.472 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.317 4.045 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.030 2.950 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.084 4.319 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.918 2.940 -1.529 1.00 0.00 H new ATOM 324 N ALA A 21 70.827 -0.470 -1.198 1.00 0.00 N ATOM 325 CA ALA A 21 70.455 -1.488 -2.220 1.00 0.00 C ATOM 326 C ALA A 21 68.982 -1.320 -2.599 1.00 0.00 C ATOM 327 O ALA A 21 68.158 -0.975 -1.775 1.00 0.00 O ATOM 328 CB ALA A 21 70.685 -2.838 -1.541 1.00 0.00 C ATOM 0 H ALA A 21 70.882 -0.815 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 21 71.039 -1.395 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.432 -3.641 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.732 -2.926 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.055 -2.911 -0.654 1.00 0.00 H new ATOM 334 N LYS A 22 68.643 -1.554 -3.838 1.00 0.00 N ATOM 335 CA LYS A 22 67.222 -1.397 -4.256 1.00 0.00 C ATOM 336 C LYS A 22 66.835 -2.493 -5.249 1.00 0.00 C ATOM 337 O LYS A 22 67.669 -3.233 -5.732 1.00 0.00 O ATOM 338 CB LYS A 22 67.156 -0.024 -4.924 1.00 0.00 C ATOM 339 CG LYS A 22 66.922 1.052 -3.862 1.00 0.00 C ATOM 340 CD LYS A 22 65.498 1.597 -3.991 1.00 0.00 C ATOM 341 CE LYS A 22 65.495 2.801 -4.936 1.00 0.00 C ATOM 342 NZ LYS A 22 66.100 3.910 -4.146 1.00 0.00 N ATOM 0 H LYS A 22 69.285 -1.846 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 22 66.535 -1.476 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.084 0.176 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.352 -0.004 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 22 67.074 0.634 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.644 1.860 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.834 0.821 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.119 1.889 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.073 2.597 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.483 3.050 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 65.429 4.703 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 66.318 3.574 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 66.975 4.228 -4.608 1.00 0.00 H new ATOM 356 N ASN A 23 65.571 -2.602 -5.557 1.00 0.00 N ATOM 357 CA ASN A 23 65.120 -3.651 -6.518 1.00 0.00 C ATOM 358 C ASN A 23 65.252 -5.037 -5.883 1.00 0.00 C ATOM 359 O ASN A 23 65.178 -6.047 -6.554 1.00 0.00 O ATOM 360 CB ASN A 23 66.051 -3.522 -7.726 1.00 0.00 C ATOM 361 CG ASN A 23 65.373 -4.120 -8.960 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.320 -3.670 -9.368 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.936 -5.125 -9.575 1.00 0.00 N ATOM 0 H ASN A 23 64.829 -2.009 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 23 64.075 -3.527 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.292 -2.474 -7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.992 -4.036 -7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.492 -5.533 -10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.820 -5.502 -9.232 1.00 0.00 H new ATOM 370 N LEU A 24 65.442 -5.091 -4.594 1.00 0.00 N ATOM 371 CA LEU A 24 65.573 -6.412 -3.916 1.00 0.00 C ATOM 372 C LEU A 24 64.293 -7.227 -4.118 1.00 0.00 C ATOM 373 O LEU A 24 63.498 -6.945 -4.992 1.00 0.00 O ATOM 374 CB LEU A 24 65.768 -6.084 -2.434 1.00 0.00 C ATOM 375 CG LEU A 24 67.225 -5.691 -2.174 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.127 -6.911 -2.366 1.00 0.00 C ATOM 377 CD2 LEU A 24 67.640 -4.588 -3.152 1.00 0.00 C ATOM 0 H LEU A 24 65.512 -4.279 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 24 66.400 -7.002 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.105 -5.269 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.500 -6.946 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 24 67.324 -5.325 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.164 -6.630 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 24 67.833 -7.694 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.028 -7.280 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 68.677 -4.309 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.539 -4.952 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 66.999 -3.717 -3.012 1.00 0.00 H new ATOM 389 N SER A 25 64.087 -8.232 -3.314 1.00 0.00 N ATOM 390 CA SER A 25 62.857 -9.060 -3.459 1.00 0.00 C ATOM 391 C SER A 25 62.431 -9.602 -2.093 1.00 0.00 C ATOM 392 O SER A 25 63.176 -9.552 -1.136 1.00 0.00 O ATOM 393 CB SER A 25 63.256 -10.203 -4.390 1.00 0.00 C ATOM 394 OG SER A 25 62.350 -10.256 -5.484 1.00 0.00 O ATOM 0 H SER A 25 64.716 -8.516 -2.563 1.00 0.00 H new ATOM 0 HA SER A 25 62.016 -8.491 -3.855 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.273 -10.054 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.246 -11.149 -3.848 1.00 0.00 H new ATOM 0 HG SER A 25 62.852 -10.243 -6.325 1.00 0.00 H new ATOM 400 N PHE A 26 61.239 -10.121 -1.994 1.00 0.00 N ATOM 401 CA PHE A 26 60.773 -10.664 -0.696 1.00 0.00 C ATOM 402 C PHE A 26 61.537 -11.948 -0.364 1.00 0.00 C ATOM 403 O PHE A 26 61.459 -12.465 0.733 1.00 0.00 O ATOM 404 CB PHE A 26 59.292 -10.950 -0.923 1.00 0.00 C ATOM 405 CG PHE A 26 58.485 -9.721 -0.580 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.358 -8.687 -1.514 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.870 -9.612 0.673 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.614 -7.543 -1.197 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.125 -8.470 0.990 1.00 0.00 C ATOM 410 CZ PHE A 26 56.998 -7.435 0.054 1.00 0.00 C ATOM 0 H PHE A 26 60.569 -10.191 -2.760 1.00 0.00 H new ATOM 0 HA PHE A 26 60.936 -9.982 0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.120 -11.233 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.974 -11.791 -0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 26 58.834 -8.771 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.970 -10.409 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.516 -6.745 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.648 -8.387 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.424 -6.553 0.299 1.00 0.00 H new ATOM 420 N ASN A 27 62.278 -12.462 -1.307 1.00 0.00 N ATOM 421 CA ASN A 27 63.052 -13.705 -1.058 1.00 0.00 C ATOM 422 C ASN A 27 64.479 -13.358 -0.620 1.00 0.00 C ATOM 423 O ASN A 27 65.072 -14.040 0.192 1.00 0.00 O ATOM 424 CB ASN A 27 63.065 -14.440 -2.399 1.00 0.00 C ATOM 425 CG ASN A 27 64.043 -15.615 -2.327 1.00 0.00 C ATOM 426 OD1 ASN A 27 65.216 -15.430 -2.075 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.605 -16.826 -2.540 1.00 0.00 N ATOM 0 H ASN A 27 62.379 -12.070 -2.243 1.00 0.00 H new ATOM 0 HA ASN A 27 62.615 -14.313 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.064 -14.800 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.358 -13.758 -3.197 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.248 -17.616 -2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.619 -16.982 -2.752 1.00 0.00 H new ATOM 434 N ILE A 28 65.033 -12.302 -1.152 1.00 0.00 N ATOM 435 CA ILE A 28 66.420 -11.912 -0.766 1.00 0.00 C ATOM 436 C ILE A 28 66.441 -11.433 0.690 1.00 0.00 C ATOM 437 O ILE A 28 65.411 -11.269 1.312 1.00 0.00 O ATOM 438 CB ILE A 28 66.798 -10.782 -1.733 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.318 -10.747 -1.902 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.317 -9.431 -1.196 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.685 -9.790 -3.038 1.00 0.00 C ATOM 0 H ILE A 28 64.586 -11.693 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 28 67.125 -12.741 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 28 66.319 -10.968 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.790 -10.424 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.693 -11.747 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.594 -8.642 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.233 -9.450 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.781 -9.238 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.768 -9.766 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.225 -10.132 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.324 -8.789 -2.802 1.00 0.00 H new ATOM 453 N THR A 29 67.605 -11.209 1.240 1.00 0.00 N ATOM 454 CA THR A 29 67.673 -10.742 2.657 1.00 0.00 C ATOM 455 C THR A 29 69.076 -10.226 2.993 1.00 0.00 C ATOM 456 O THR A 29 69.980 -10.273 2.179 1.00 0.00 O ATOM 457 CB THR A 29 67.347 -11.979 3.496 1.00 0.00 C ATOM 458 OG1 THR A 29 67.804 -13.142 2.820 1.00 0.00 O ATOM 459 CG2 THR A 29 65.836 -12.072 3.712 1.00 0.00 C ATOM 0 H THR A 29 68.505 -11.328 0.775 1.00 0.00 H new ATOM 0 HA THR A 29 66.984 -9.919 2.847 1.00 0.00 H new ATOM 0 HB THR A 29 67.844 -11.901 4.463 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.597 -13.935 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.608 -12.954 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.487 -11.180 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.335 -12.148 2.747 1.00 0.00 H new ATOM 467 N GLU A 30 69.266 -9.743 4.192 1.00 0.00 N ATOM 468 CA GLU A 30 70.610 -9.232 4.584 1.00 0.00 C ATOM 469 C GLU A 30 71.656 -10.315 4.343 1.00 0.00 C ATOM 470 O GLU A 30 72.722 -10.063 3.818 1.00 0.00 O ATOM 471 CB GLU A 30 70.498 -8.912 6.074 1.00 0.00 C ATOM 472 CG GLU A 30 70.961 -7.476 6.328 1.00 0.00 C ATOM 473 CD GLU A 30 71.441 -7.343 7.775 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.488 -7.885 8.084 1.00 0.00 O ATOM 475 OE2 GLU A 30 70.751 -6.701 8.550 1.00 0.00 O ATOM 0 H GLU A 30 68.549 -9.681 4.915 1.00 0.00 H new ATOM 0 HA GLU A 30 70.910 -8.356 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.467 -9.036 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.106 -9.608 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.766 -7.215 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.143 -6.780 6.139 1.00 0.00 H new ATOM 482 N ASP A 31 71.349 -11.527 4.712 1.00 0.00 N ATOM 483 CA ASP A 31 72.318 -12.635 4.490 1.00 0.00 C ATOM 484 C ASP A 31 72.770 -12.621 3.033 1.00 0.00 C ATOM 485 O ASP A 31 73.945 -12.689 2.730 1.00 0.00 O ATOM 486 CB ASP A 31 71.541 -13.915 4.805 1.00 0.00 C ATOM 487 CG ASP A 31 72.377 -14.807 5.725 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.317 -14.605 6.927 1.00 0.00 O ATOM 489 OD2 ASP A 31 73.062 -15.676 5.212 1.00 0.00 O ATOM 0 H ASP A 31 70.472 -11.798 5.156 1.00 0.00 H new ATOM 0 HA ASP A 31 73.210 -12.549 5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.593 -13.669 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.305 -14.446 3.883 1.00 0.00 H new ATOM 494 N GLU A 32 71.838 -12.516 2.129 1.00 0.00 N ATOM 495 CA GLU A 32 72.198 -12.476 0.686 1.00 0.00 C ATOM 496 C GLU A 32 72.993 -11.204 0.399 1.00 0.00 C ATOM 497 O GLU A 32 73.962 -11.208 -0.341 1.00 0.00 O ATOM 498 CB GLU A 32 70.862 -12.459 -0.055 1.00 0.00 C ATOM 499 CG GLU A 32 71.104 -12.167 -1.535 1.00 0.00 C ATOM 500 CD GLU A 32 71.124 -10.656 -1.761 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.816 -9.933 -0.829 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.449 -10.245 -2.864 1.00 0.00 O ATOM 0 H GLU A 32 70.839 -12.456 2.328 1.00 0.00 H new ATOM 0 HA GLU A 32 72.814 -13.321 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.358 -13.419 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.206 -11.701 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 72.050 -12.605 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.321 -12.625 -2.140 1.00 0.00 H new ATOM 509 N LEU A 33 72.606 -10.119 1.007 1.00 0.00 N ATOM 510 CA LEU A 33 73.348 -8.851 0.801 1.00 0.00 C ATOM 511 C LEU A 33 74.710 -8.995 1.460 1.00 0.00 C ATOM 512 O LEU A 33 75.703 -8.472 0.997 1.00 0.00 O ATOM 513 CB LEU A 33 72.515 -7.774 1.498 1.00 0.00 C ATOM 514 CG LEU A 33 71.333 -7.385 0.609 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.023 -7.644 1.356 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.430 -5.900 0.253 1.00 0.00 C ATOM 0 H LEU A 33 71.807 -10.058 1.638 1.00 0.00 H new ATOM 0 HA LEU A 33 73.500 -8.600 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.155 -8.143 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.132 -6.899 1.704 1.00 0.00 H new ATOM 0 HG LEU A 33 71.355 -7.981 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.181 -7.366 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.952 -8.701 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.001 -7.049 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.588 -5.622 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.409 -5.305 1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.362 -5.714 -0.280 1.00 0.00 H new ATOM 528 N LYS A 34 74.762 -9.733 2.534 1.00 0.00 N ATOM 529 CA LYS A 34 76.056 -9.945 3.219 1.00 0.00 C ATOM 530 C LYS A 34 76.865 -10.973 2.436 1.00 0.00 C ATOM 531 O LYS A 34 78.077 -11.027 2.509 1.00 0.00 O ATOM 532 CB LYS A 34 75.703 -10.468 4.611 1.00 0.00 C ATOM 533 CG LYS A 34 76.988 -10.761 5.389 1.00 0.00 C ATOM 534 CD LYS A 34 77.879 -9.518 5.390 1.00 0.00 C ATOM 535 CE LYS A 34 79.101 -9.766 6.278 1.00 0.00 C ATOM 536 NZ LYS A 34 80.263 -9.304 5.470 1.00 0.00 N ATOM 0 H LYS A 34 73.961 -10.196 2.963 1.00 0.00 H new ATOM 0 HA LYS A 34 76.654 -9.036 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.102 -9.732 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.101 -11.373 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 76.748 -11.050 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.517 -11.600 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.196 -9.284 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.320 -8.657 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.027 -9.214 7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.194 -10.821 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.140 -9.442 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.312 -9.852 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.150 -8.295 5.245 1.00 0.00 H new ATOM 550 N GLU A 35 76.187 -11.779 1.673 1.00 0.00 N ATOM 551 CA GLU A 35 76.881 -12.805 0.855 1.00 0.00 C ATOM 552 C GLU A 35 77.386 -12.166 -0.439 1.00 0.00 C ATOM 553 O GLU A 35 78.398 -12.559 -0.986 1.00 0.00 O ATOM 554 CB GLU A 35 75.819 -13.866 0.557 1.00 0.00 C ATOM 555 CG GLU A 35 76.417 -15.259 0.764 1.00 0.00 C ATOM 556 CD GLU A 35 75.289 -16.281 0.916 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.208 -15.885 1.319 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.526 -17.443 0.627 1.00 0.00 O ATOM 0 H GLU A 35 75.171 -11.770 1.581 1.00 0.00 H new ATOM 0 HA GLU A 35 77.743 -13.236 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.958 -13.727 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.462 -13.761 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.050 -15.524 -0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.051 -15.266 1.651 1.00 0.00 H new ATOM 565 N VAL A 36 76.692 -11.172 -0.924 1.00 0.00 N ATOM 566 CA VAL A 36 77.135 -10.493 -2.173 1.00 0.00 C ATOM 567 C VAL A 36 78.174 -9.430 -1.822 1.00 0.00 C ATOM 568 O VAL A 36 79.160 -9.255 -2.510 1.00 0.00 O ATOM 569 CB VAL A 36 75.871 -9.847 -2.746 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.257 -8.752 -3.744 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.033 -10.909 -3.460 1.00 0.00 C ATOM 0 H VAL A 36 75.837 -10.802 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 36 77.592 -11.176 -2.889 1.00 0.00 H new ATOM 0 HB VAL A 36 75.292 -9.409 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.354 -8.295 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.853 -7.992 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.839 -9.188 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.133 -10.449 -3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.615 -11.348 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.753 -11.688 -2.751 1.00 0.00 H new ATOM 581 N PHE A 37 77.955 -8.718 -0.751 1.00 0.00 N ATOM 582 CA PHE A 37 78.914 -7.669 -0.344 1.00 0.00 C ATOM 583 C PHE A 37 79.934 -8.242 0.645 1.00 0.00 C ATOM 584 O PHE A 37 80.224 -7.651 1.667 1.00 0.00 O ATOM 585 CB PHE A 37 78.045 -6.612 0.328 1.00 0.00 C ATOM 586 CG PHE A 37 76.953 -6.184 -0.622 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.269 -5.831 -1.940 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.623 -6.143 -0.187 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.257 -5.438 -2.821 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.610 -5.750 -1.069 1.00 0.00 C ATOM 591 CZ PHE A 37 74.926 -5.397 -2.386 1.00 0.00 C ATOM 0 H PHE A 37 77.145 -8.823 -0.140 1.00 0.00 H new ATOM 0 HA PHE A 37 79.485 -7.266 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.610 -7.012 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.652 -5.753 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.295 -5.862 -2.276 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.379 -6.415 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.501 -5.166 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.584 -5.719 -0.733 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.144 -5.093 -3.066 1.00 0.00 H new ATOM 601 N GLU A 38 80.479 -9.390 0.350 1.00 0.00 N ATOM 602 CA GLU A 38 81.477 -10.005 1.271 1.00 0.00 C ATOM 603 C GLU A 38 82.588 -9.005 1.600 1.00 0.00 C ATOM 604 O GLU A 38 83.302 -9.156 2.571 1.00 0.00 O ATOM 605 CB GLU A 38 82.041 -11.200 0.502 1.00 0.00 C ATOM 606 CG GLU A 38 83.255 -11.760 1.244 1.00 0.00 C ATOM 607 CD GLU A 38 83.740 -13.030 0.544 1.00 0.00 C ATOM 608 OE1 GLU A 38 84.378 -12.906 -0.489 1.00 0.00 O ATOM 609 OE2 GLU A 38 83.466 -14.105 1.052 1.00 0.00 O ATOM 0 H GLU A 38 80.276 -9.930 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 38 81.031 -10.303 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.278 -11.971 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.326 -10.896 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 38 84.053 -11.018 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.992 -11.980 2.279 1.00 0.00 H new ATOM 616 N ASP A 39 82.744 -7.988 0.799 1.00 0.00 N ATOM 617 CA ASP A 39 83.814 -6.985 1.069 1.00 0.00 C ATOM 618 C ASP A 39 83.272 -5.846 1.938 1.00 0.00 C ATOM 619 O ASP A 39 84.021 -5.119 2.559 1.00 0.00 O ATOM 620 CB ASP A 39 84.223 -6.461 -0.308 1.00 0.00 C ATOM 621 CG ASP A 39 85.737 -6.597 -0.476 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.190 -7.705 -0.717 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.419 -5.592 -0.361 1.00 0.00 O ATOM 0 H ASP A 39 82.178 -7.807 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 39 84.656 -7.419 1.608 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.708 -7.020 -1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.927 -5.417 -0.415 1.00 0.00 H new ATOM 628 N ALA A 40 81.977 -5.680 1.984 1.00 0.00 N ATOM 629 CA ALA A 40 81.399 -4.583 2.812 1.00 0.00 C ATOM 630 C ALA A 40 81.415 -4.967 4.295 1.00 0.00 C ATOM 631 O ALA A 40 81.680 -6.097 4.652 1.00 0.00 O ATOM 632 CB ALA A 40 79.962 -4.428 2.315 1.00 0.00 C ATOM 0 H ALA A 40 81.297 -6.254 1.486 1.00 0.00 H new ATOM 0 HA ALA A 40 81.966 -3.657 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.466 -3.636 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.969 -4.171 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.425 -5.366 2.458 1.00 0.00 H new ATOM 638 N LEU A 41 81.130 -4.032 5.163 1.00 0.00 N ATOM 639 CA LEU A 41 81.124 -4.338 6.616 1.00 0.00 C ATOM 640 C LEU A 41 79.795 -4.979 7.006 1.00 0.00 C ATOM 641 O LEU A 41 79.752 -6.018 7.635 1.00 0.00 O ATOM 642 CB LEU A 41 81.276 -2.987 7.319 1.00 0.00 C ATOM 643 CG LEU A 41 82.423 -2.195 6.693 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.294 -0.724 7.096 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.757 -2.748 7.197 1.00 0.00 C ATOM 0 H LEU A 41 80.901 -3.067 4.923 1.00 0.00 H new ATOM 0 HA LEU A 41 81.920 -5.031 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.348 -2.421 7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.467 -3.140 8.381 1.00 0.00 H new ATOM 0 HG LEU A 41 82.383 -2.283 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.109 -0.152 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.341 -0.332 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.340 -0.639 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.576 -2.184 6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.802 -2.657 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.845 -3.798 6.917 1.00 0.00 H new ATOM 657 N GLU A 42 78.709 -4.357 6.641 1.00 0.00 N ATOM 658 CA GLU A 42 77.373 -4.916 6.993 1.00 0.00 C ATOM 659 C GLU A 42 76.292 -4.332 6.082 1.00 0.00 C ATOM 660 O GLU A 42 76.510 -3.362 5.384 1.00 0.00 O ATOM 661 CB GLU A 42 77.137 -4.492 8.442 1.00 0.00 C ATOM 662 CG GLU A 42 77.970 -5.373 9.374 1.00 0.00 C ATOM 663 CD GLU A 42 77.237 -5.546 10.705 1.00 0.00 C ATOM 664 OE1 GLU A 42 77.395 -4.693 11.563 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.527 -6.530 10.845 1.00 0.00 O ATOM 0 H GLU A 42 78.688 -3.484 6.113 1.00 0.00 H new ATOM 0 HA GLU A 42 77.336 -5.999 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.409 -3.445 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.079 -4.580 8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.143 -6.346 8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.948 -4.921 9.541 1.00 0.00 H new ATOM 672 N ILE A 43 75.129 -4.919 6.088 1.00 0.00 N ATOM 673 CA ILE A 43 74.028 -4.405 5.226 1.00 0.00 C ATOM 674 C ILE A 43 72.715 -4.371 6.010 1.00 0.00 C ATOM 675 O ILE A 43 72.488 -5.168 6.897 1.00 0.00 O ATOM 676 CB ILE A 43 73.931 -5.402 4.073 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.189 -5.305 3.208 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.703 -5.084 3.220 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.041 -6.561 3.396 1.00 0.00 C ATOM 0 H ILE A 43 74.892 -5.734 6.653 1.00 0.00 H new ATOM 0 HA ILE A 43 74.218 -3.390 4.876 1.00 0.00 H new ATOM 0 HB ILE A 43 73.841 -6.411 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.913 -5.194 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.763 -4.420 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.636 -5.797 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.805 -5.154 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.790 -4.074 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.936 -6.489 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.329 -6.652 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.466 -7.438 3.100 1.00 0.00 H new ATOM 691 N ARG A 44 71.845 -3.457 5.683 1.00 0.00 N ATOM 692 CA ARG A 44 70.549 -3.370 6.395 1.00 0.00 C ATOM 693 C ARG A 44 69.412 -3.532 5.375 1.00 0.00 C ATOM 694 O ARG A 44 69.609 -3.368 4.188 1.00 0.00 O ATOM 695 CB ARG A 44 70.564 -1.973 7.032 1.00 0.00 C ATOM 696 CG ARG A 44 69.151 -1.398 7.085 1.00 0.00 C ATOM 697 CD ARG A 44 69.035 -0.420 8.258 1.00 0.00 C ATOM 698 NE ARG A 44 69.743 0.811 7.809 1.00 0.00 N ATOM 699 CZ ARG A 44 70.085 1.720 8.680 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.252 2.677 8.984 1.00 0.00 N ATOM 701 NH2 ARG A 44 71.259 1.672 9.247 1.00 0.00 N ATOM 0 H ARG A 44 71.981 -2.764 4.947 1.00 0.00 H new ATOM 0 HA ARG A 44 70.399 -4.142 7.150 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.979 -2.030 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.212 -1.311 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 44 68.920 -0.888 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.424 -2.203 7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 44 67.992 -0.211 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.490 -0.830 9.159 1.00 0.00 H new ATOM 0 HE ARG A 44 69.960 0.943 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.334 2.714 8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 44 69.519 3.388 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 44 71.910 0.924 9.009 1.00 0.00 H new ATOM 0 HH22 ARG A 44 71.526 2.383 9.928 1.00 0.00 H new ATOM 715 N LEU A 45 68.231 -3.852 5.822 1.00 0.00 N ATOM 716 CA LEU A 45 67.101 -4.023 4.868 1.00 0.00 C ATOM 717 C LEU A 45 66.168 -2.818 4.943 1.00 0.00 C ATOM 718 O LEU A 45 66.090 -2.142 5.949 1.00 0.00 O ATOM 719 CB LEU A 45 66.381 -5.292 5.323 1.00 0.00 C ATOM 720 CG LEU A 45 66.337 -6.293 4.167 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.378 -7.432 4.515 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.849 -5.588 2.898 1.00 0.00 C ATOM 0 H LEU A 45 67.999 -4.002 6.804 1.00 0.00 H new ATOM 0 HA LEU A 45 67.439 -4.101 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.897 -5.729 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.369 -5.052 5.650 1.00 0.00 H new ATOM 0 HG LEU A 45 67.336 -6.696 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.346 -8.145 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.723 -7.935 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.380 -7.028 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.818 -6.301 2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.850 -5.185 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.531 -4.775 2.648 1.00 0.00 H new ATOM 734 N VAL A 46 65.465 -2.538 3.883 1.00 0.00 N ATOM 735 CA VAL A 46 64.546 -1.372 3.895 1.00 0.00 C ATOM 736 C VAL A 46 63.272 -1.680 3.100 1.00 0.00 C ATOM 737 O VAL A 46 63.315 -2.065 1.935 1.00 0.00 O ATOM 738 CB VAL A 46 65.344 -0.241 3.250 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.509 1.039 3.260 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.631 -0.019 4.047 1.00 0.00 C ATOM 0 H VAL A 46 65.488 -3.066 3.011 1.00 0.00 H new ATOM 0 HA VAL A 46 64.217 -1.112 4.901 1.00 0.00 H new ATOM 0 HB VAL A 46 65.591 -0.503 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.077 1.848 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.589 0.877 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.265 1.306 4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.206 0.787 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.382 0.248 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.224 -0.934 4.044 1.00 0.00 H new ATOM 750 N SER A 47 62.142 -1.518 3.736 1.00 0.00 N ATOM 751 CA SER A 47 60.841 -1.797 3.067 1.00 0.00 C ATOM 752 C SER A 47 59.899 -0.598 3.222 1.00 0.00 C ATOM 753 O SER A 47 60.305 0.540 3.090 1.00 0.00 O ATOM 754 CB SER A 47 60.287 -3.013 3.802 1.00 0.00 C ATOM 755 OG SER A 47 61.341 -3.935 4.044 1.00 0.00 O ATOM 0 H SER A 47 62.066 -1.200 4.702 1.00 0.00 H new ATOM 0 HA SER A 47 60.949 -1.976 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.832 -2.707 4.744 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.504 -3.485 3.209 1.00 0.00 H new ATOM 0 HG SER A 47 61.019 -4.654 4.626 1.00 0.00 H new ATOM 761 N GLN A 48 58.645 -0.839 3.501 1.00 0.00 N ATOM 762 CA GLN A 48 57.691 0.299 3.658 1.00 0.00 C ATOM 763 C GLN A 48 56.507 -0.104 4.547 1.00 0.00 C ATOM 764 O GLN A 48 56.041 -1.225 4.509 1.00 0.00 O ATOM 765 CB GLN A 48 57.214 0.609 2.239 1.00 0.00 C ATOM 766 CG GLN A 48 55.961 1.486 2.300 1.00 0.00 C ATOM 767 CD GLN A 48 54.735 0.653 1.923 1.00 0.00 C ATOM 768 OE1 GLN A 48 54.841 -0.535 1.692 1.00 0.00 O ATOM 769 NE2 GLN A 48 53.566 1.229 1.852 1.00 0.00 N ATOM 0 H GLN A 48 58.242 -1.768 3.626 1.00 0.00 H new ATOM 0 HA GLN A 48 58.158 1.161 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 48 58.001 1.119 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.997 -0.317 1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.840 1.897 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.063 2.331 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 48 53.476 2.226 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 48 52.742 0.682 1.603 1.00 0.00 H new ATOM 778 N ASP A 49 56.017 0.811 5.340 1.00 0.00 N ATOM 779 CA ASP A 49 54.859 0.498 6.228 1.00 0.00 C ATOM 780 C ASP A 49 55.035 -0.875 6.880 1.00 0.00 C ATOM 781 O ASP A 49 54.076 -1.527 7.242 1.00 0.00 O ATOM 782 CB ASP A 49 53.645 0.494 5.301 1.00 0.00 C ATOM 783 CG ASP A 49 52.724 1.663 5.657 1.00 0.00 C ATOM 784 OD1 ASP A 49 51.922 1.505 6.563 1.00 0.00 O ATOM 785 OD2 ASP A 49 52.839 2.696 5.019 1.00 0.00 O ATOM 0 H ASP A 49 56.370 1.765 5.411 1.00 0.00 H new ATOM 0 HA ASP A 49 54.759 1.219 7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 49 53.967 0.575 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 49 53.106 -0.449 5.395 1.00 0.00 H new ATOM 790 N GLY A 50 56.249 -1.319 7.031 1.00 0.00 N ATOM 791 CA GLY A 50 56.481 -2.650 7.658 1.00 0.00 C ATOM 792 C GLY A 50 56.164 -3.748 6.643 1.00 0.00 C ATOM 793 O GLY A 50 55.532 -4.737 6.957 1.00 0.00 O ATOM 0 H GLY A 50 57.092 -0.819 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 57.516 -2.733 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 50 55.853 -2.763 8.542 1.00 0.00 H new ATOM 797 N LYS A 51 56.601 -3.580 5.426 1.00 0.00 N ATOM 798 CA LYS A 51 56.333 -4.607 4.384 1.00 0.00 C ATOM 799 C LYS A 51 57.439 -4.556 3.334 1.00 0.00 C ATOM 800 O LYS A 51 57.548 -3.597 2.597 1.00 0.00 O ATOM 801 CB LYS A 51 54.988 -4.215 3.771 1.00 0.00 C ATOM 802 CG LYS A 51 53.925 -5.239 4.175 1.00 0.00 C ATOM 803 CD LYS A 51 53.012 -5.527 2.981 1.00 0.00 C ATOM 804 CE LYS A 51 52.471 -4.209 2.425 1.00 0.00 C ATOM 805 NZ LYS A 51 51.546 -3.700 3.475 1.00 0.00 N ATOM 0 H LYS A 51 57.135 -2.771 5.108 1.00 0.00 H new ATOM 0 HA LYS A 51 56.307 -5.620 4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.698 -3.221 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.071 -4.170 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.401 -6.160 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 51 53.338 -4.859 5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.564 -6.061 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.188 -6.171 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.277 -3.501 2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.950 -4.363 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 50.903 -2.996 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 50.991 -4.490 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 52.097 -3.258 4.238 1.00 0.00 H new ATOM 819 N SER A 52 58.263 -5.574 3.285 1.00 0.00 N ATOM 820 CA SER A 52 59.391 -5.608 2.305 1.00 0.00 C ATOM 821 C SER A 52 59.074 -4.791 1.057 1.00 0.00 C ATOM 822 O SER A 52 58.088 -5.011 0.383 1.00 0.00 O ATOM 823 CB SER A 52 59.565 -7.081 1.958 1.00 0.00 C ATOM 824 OG SER A 52 59.521 -7.248 0.546 1.00 0.00 O ATOM 0 H SER A 52 58.200 -6.393 3.890 1.00 0.00 H new ATOM 0 HA SER A 52 60.298 -5.171 2.723 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.515 -7.447 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.779 -7.671 2.429 1.00 0.00 H new ATOM 0 HG SER A 52 58.701 -7.725 0.298 1.00 0.00 H new ATOM 830 N LYS A 53 59.915 -3.850 0.752 1.00 0.00 N ATOM 831 CA LYS A 53 59.692 -3.003 -0.452 1.00 0.00 C ATOM 832 C LYS A 53 60.764 -3.317 -1.487 1.00 0.00 C ATOM 833 O LYS A 53 60.565 -3.168 -2.676 1.00 0.00 O ATOM 834 CB LYS A 53 59.821 -1.562 0.042 1.00 0.00 C ATOM 835 CG LYS A 53 59.315 -0.606 -1.039 1.00 0.00 C ATOM 836 CD LYS A 53 59.019 0.760 -0.417 1.00 0.00 C ATOM 837 CE LYS A 53 59.406 1.865 -1.401 1.00 0.00 C ATOM 838 NZ LYS A 53 59.847 3.003 -0.548 1.00 0.00 N ATOM 0 H LYS A 53 60.754 -3.627 1.287 1.00 0.00 H new ATOM 0 HA LYS A 53 58.723 -3.176 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.247 -1.428 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.861 -1.340 0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.061 -0.504 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.414 -1.009 -1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 53 57.961 0.836 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.575 0.876 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.205 1.538 -2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.562 2.147 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.129 3.801 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.064 3.297 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.656 2.707 0.034 1.00 0.00 H new ATOM 852 N GLY A 54 61.902 -3.766 -1.038 1.00 0.00 N ATOM 853 CA GLY A 54 62.991 -4.107 -1.986 1.00 0.00 C ATOM 854 C GLY A 54 64.183 -3.170 -1.778 1.00 0.00 C ATOM 855 O GLY A 54 65.012 -3.018 -2.652 1.00 0.00 O ATOM 0 H GLY A 54 62.123 -3.911 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.302 -5.141 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.630 -4.026 -3.011 1.00 0.00 H new ATOM 859 N ILE A 55 64.290 -2.541 -0.635 1.00 0.00 N ATOM 860 CA ILE A 55 65.451 -1.629 -0.420 1.00 0.00 C ATOM 861 C ILE A 55 66.308 -2.140 0.740 1.00 0.00 C ATOM 862 O ILE A 55 65.863 -2.928 1.547 1.00 0.00 O ATOM 863 CB ILE A 55 64.830 -0.272 -0.092 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.776 0.070 -1.147 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.920 0.801 -0.099 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.003 1.317 -0.712 1.00 0.00 C ATOM 0 H ILE A 55 63.637 -2.617 0.145 1.00 0.00 H new ATOM 0 HA ILE A 55 66.106 -1.569 -1.289 1.00 0.00 H new ATOM 0 HB ILE A 55 64.364 -0.312 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.254 0.244 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.091 -0.768 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.478 1.770 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.676 0.557 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.384 0.842 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.252 1.560 -1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.512 1.126 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.693 2.154 -0.604 1.00 0.00 H new ATOM 878 N ALA A 56 67.539 -1.707 0.824 1.00 0.00 N ATOM 879 CA ALA A 56 68.417 -2.180 1.933 1.00 0.00 C ATOM 880 C ALA A 56 69.641 -1.268 2.064 1.00 0.00 C ATOM 881 O ALA A 56 70.144 -0.753 1.089 1.00 0.00 O ATOM 882 CB ALA A 56 68.843 -3.590 1.526 1.00 0.00 C ATOM 0 H ALA A 56 67.972 -1.049 0.176 1.00 0.00 H new ATOM 0 HA ALA A 56 67.907 -2.169 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.494 -4.009 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 56 67.960 -4.219 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.380 -3.549 0.578 1.00 0.00 H new ATOM 888 N TYR A 57 70.129 -1.068 3.257 1.00 0.00 N ATOM 889 CA TYR A 57 71.325 -0.193 3.428 1.00 0.00 C ATOM 890 C TYR A 57 72.598 -1.038 3.356 1.00 0.00 C ATOM 891 O TYR A 57 72.613 -2.187 3.754 1.00 0.00 O ATOM 892 CB TYR A 57 71.171 0.435 4.812 1.00 0.00 C ATOM 893 CG TYR A 57 70.854 1.904 4.665 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.814 2.778 4.139 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.601 2.394 5.055 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.519 4.140 4.001 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.307 3.755 4.917 1.00 0.00 C ATOM 898 CZ TYR A 57 70.267 4.629 4.390 1.00 0.00 C ATOM 899 OH TYR A 57 69.976 5.971 4.255 1.00 0.00 O ATOM 0 H TYR A 57 69.755 -1.469 4.117 1.00 0.00 H new ATOM 0 HA TYR A 57 71.398 0.567 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.376 -0.066 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.088 0.306 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.781 2.402 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.861 1.721 5.463 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.259 4.814 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.340 4.132 5.217 1.00 0.00 H new ATOM 0 HH TYR A 57 69.064 6.141 4.571 1.00 0.00 H new ATOM 909 N ILE A 58 73.663 -0.489 2.843 1.00 0.00 N ATOM 910 CA ILE A 58 74.923 -1.277 2.741 1.00 0.00 C ATOM 911 C ILE A 58 76.134 -0.403 3.079 1.00 0.00 C ATOM 912 O ILE A 58 76.380 0.606 2.448 1.00 0.00 O ATOM 913 CB ILE A 58 74.973 -1.732 1.282 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.604 -2.293 0.884 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.036 -2.820 1.117 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.686 -2.921 -0.507 1.00 0.00 C ATOM 0 H ILE A 58 73.716 0.467 2.491 1.00 0.00 H new ATOM 0 HA ILE A 58 74.946 -2.116 3.436 1.00 0.00 H new ATOM 0 HB ILE A 58 75.225 -0.884 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.281 -3.038 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.859 -1.497 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.069 -3.142 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.010 -2.424 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.788 -3.670 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.710 -3.318 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.989 -2.164 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.418 -3.729 -0.499 1.00 0.00 H new ATOM 928 N GLU A 59 76.895 -0.786 4.069 1.00 0.00 N ATOM 929 CA GLU A 59 78.092 0.018 4.446 1.00 0.00 C ATOM 930 C GLU A 59 79.364 -0.806 4.223 1.00 0.00 C ATOM 931 O GLU A 59 79.485 -1.915 4.701 1.00 0.00 O ATOM 932 CB GLU A 59 77.911 0.338 5.932 1.00 0.00 C ATOM 933 CG GLU A 59 77.434 -0.913 6.675 1.00 0.00 C ATOM 934 CD GLU A 59 78.092 -0.970 8.054 1.00 0.00 C ATOM 935 OE1 GLU A 59 79.301 -0.819 8.118 1.00 0.00 O ATOM 936 OE2 GLU A 59 77.376 -1.164 9.023 1.00 0.00 O ATOM 0 H GLU A 59 76.739 -1.621 4.633 1.00 0.00 H new ATOM 0 HA GLU A 59 78.187 0.925 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.852 0.688 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.187 1.144 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.349 -0.896 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.685 -1.806 6.103 1.00 0.00 H new ATOM 943 N PHE A 60 80.307 -0.278 3.493 1.00 0.00 N ATOM 944 CA PHE A 60 81.560 -1.042 3.237 1.00 0.00 C ATOM 945 C PHE A 60 82.703 -0.514 4.103 1.00 0.00 C ATOM 946 O PHE A 60 82.561 0.452 4.825 1.00 0.00 O ATOM 947 CB PHE A 60 81.869 -0.822 1.758 1.00 0.00 C ATOM 948 CG PHE A 60 80.771 -1.428 0.918 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.480 -0.889 0.955 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.045 -2.532 0.101 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.463 -1.455 0.178 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.027 -3.097 -0.676 1.00 0.00 C ATOM 953 CZ PHE A 60 78.736 -2.558 -0.638 1.00 0.00 C ATOM 0 H PHE A 60 80.265 0.646 3.064 1.00 0.00 H new ATOM 0 HA PHE A 60 81.445 -2.098 3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.955 0.244 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.827 -1.275 1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.269 -0.036 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.041 -2.947 0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.466 -1.040 0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.238 -3.949 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.951 -2.993 -1.238 1.00 0.00 H new ATOM 963 N LYS A 61 83.839 -1.148 4.029 1.00 0.00 N ATOM 964 CA LYS A 61 85.006 -0.696 4.841 1.00 0.00 C ATOM 965 C LYS A 61 85.580 0.599 4.266 1.00 0.00 C ATOM 966 O LYS A 61 86.418 1.240 4.867 1.00 0.00 O ATOM 967 CB LYS A 61 86.027 -1.830 4.730 1.00 0.00 C ATOM 968 CG LYS A 61 87.069 -1.690 5.841 1.00 0.00 C ATOM 969 CD LYS A 61 88.454 -2.032 5.290 1.00 0.00 C ATOM 970 CE LYS A 61 89.334 -2.575 6.419 1.00 0.00 C ATOM 971 NZ LYS A 61 89.189 -4.056 6.340 1.00 0.00 N ATOM 0 H LYS A 61 84.012 -1.962 3.440 1.00 0.00 H new ATOM 0 HA LYS A 61 84.734 -0.490 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.525 -2.794 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.514 -1.801 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.063 -0.673 6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.822 -2.353 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.368 -2.772 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.912 -1.145 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 61 90.373 -2.272 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.010 -2.198 7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.764 -4.501 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.190 -4.315 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.511 -4.387 5.408 1.00 0.00 H new ATOM 985 N SER A 62 85.134 0.990 3.104 1.00 0.00 N ATOM 986 CA SER A 62 85.655 2.244 2.491 1.00 0.00 C ATOM 987 C SER A 62 85.020 2.465 1.116 1.00 0.00 C ATOM 988 O SER A 62 84.443 1.566 0.533 1.00 0.00 O ATOM 989 CB SER A 62 87.160 2.023 2.358 1.00 0.00 C ATOM 990 OG SER A 62 87.434 0.629 2.386 1.00 0.00 O ATOM 0 H SER A 62 84.432 0.496 2.553 1.00 0.00 H new ATOM 0 HA SER A 62 85.424 3.124 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.522 2.458 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.686 2.525 3.170 1.00 0.00 H new ATOM 0 HG SER A 62 88.399 0.484 2.299 1.00 0.00 H new ATOM 996 N GLU A 63 85.124 3.654 0.592 1.00 0.00 N ATOM 997 CA GLU A 63 84.530 3.933 -0.745 1.00 0.00 C ATOM 998 C GLU A 63 85.055 2.928 -1.773 1.00 0.00 C ATOM 999 O GLU A 63 84.349 2.526 -2.675 1.00 0.00 O ATOM 1000 CB GLU A 63 84.985 5.350 -1.095 1.00 0.00 C ATOM 1001 CG GLU A 63 84.071 5.928 -2.176 1.00 0.00 C ATOM 1002 CD GLU A 63 84.891 6.801 -3.127 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.032 6.451 -3.387 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.367 7.805 -3.580 1.00 0.00 O ATOM 0 H GLU A 63 85.595 4.445 1.032 1.00 0.00 H new ATOM 0 HA GLU A 63 83.443 3.846 -0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.959 5.981 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 63 86.017 5.336 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.590 5.121 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.277 6.518 -1.718 1.00 0.00 H new ATOM 1011 N ALA A 64 86.287 2.518 -1.642 1.00 0.00 N ATOM 1012 CA ALA A 64 86.849 1.540 -2.610 1.00 0.00 C ATOM 1013 C ALA A 64 86.080 0.224 -2.517 1.00 0.00 C ATOM 1014 O ALA A 64 85.754 -0.389 -3.514 1.00 0.00 O ATOM 1015 CB ALA A 64 88.305 1.348 -2.188 1.00 0.00 C ATOM 0 H ALA A 64 86.926 2.819 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 64 86.775 1.884 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.787 0.637 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.827 2.304 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.341 0.966 -1.168 1.00 0.00 H new ATOM 1021 N ASP A 65 85.773 -0.207 -1.326 1.00 0.00 N ATOM 1022 CA ASP A 65 85.007 -1.473 -1.174 1.00 0.00 C ATOM 1023 C ASP A 65 83.587 -1.254 -1.690 1.00 0.00 C ATOM 1024 O ASP A 65 83.097 -1.981 -2.536 1.00 0.00 O ATOM 1025 CB ASP A 65 85.000 -1.761 0.328 1.00 0.00 C ATOM 1026 CG ASP A 65 86.356 -2.332 0.744 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.306 -2.151 0.001 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.422 -2.940 1.800 1.00 0.00 O ATOM 0 H ASP A 65 86.019 0.262 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 65 85.439 -2.303 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.793 -0.846 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.206 -2.468 0.570 1.00 0.00 H new ATOM 1033 N ALA A 66 82.929 -0.241 -1.198 1.00 0.00 N ATOM 1034 CA ALA A 66 81.547 0.046 -1.668 1.00 0.00 C ATOM 1035 C ALA A 66 81.570 0.377 -3.162 1.00 0.00 C ATOM 1036 O ALA A 66 80.639 0.084 -3.887 1.00 0.00 O ATOM 1037 CB ALA A 66 81.095 1.259 -0.853 1.00 0.00 C ATOM 0 H ALA A 66 83.289 0.400 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 66 80.874 -0.801 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.081 1.534 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.115 1.012 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.766 2.096 -1.044 1.00 0.00 H new ATOM 1043 N GLU A 67 82.630 0.982 -3.630 1.00 0.00 N ATOM 1044 CA GLU A 67 82.714 1.326 -5.076 1.00 0.00 C ATOM 1045 C GLU A 67 82.981 0.064 -5.897 1.00 0.00 C ATOM 1046 O GLU A 67 82.365 -0.167 -6.918 1.00 0.00 O ATOM 1047 CB GLU A 67 83.888 2.299 -5.189 1.00 0.00 C ATOM 1048 CG GLU A 67 84.247 2.496 -6.664 1.00 0.00 C ATOM 1049 CD GLU A 67 85.723 2.154 -6.880 1.00 0.00 C ATOM 1050 OE1 GLU A 67 86.170 1.167 -6.321 1.00 0.00 O ATOM 1051 OE2 GLU A 67 86.380 2.887 -7.602 1.00 0.00 O ATOM 0 H GLU A 67 83.440 1.252 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 67 81.790 1.764 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.626 3.255 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.748 1.913 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.620 1.861 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 67 84.054 3.527 -6.962 1.00 0.00 H new ATOM 1058 N LYS A 68 83.893 -0.761 -5.455 1.00 0.00 N ATOM 1059 CA LYS A 68 84.194 -2.010 -6.209 1.00 0.00 C ATOM 1060 C LYS A 68 82.959 -2.911 -6.227 1.00 0.00 C ATOM 1061 O LYS A 68 82.644 -3.533 -7.223 1.00 0.00 O ATOM 1062 CB LYS A 68 85.335 -2.675 -5.439 1.00 0.00 C ATOM 1063 CG LYS A 68 86.135 -3.573 -6.384 1.00 0.00 C ATOM 1064 CD LYS A 68 85.281 -4.775 -6.791 1.00 0.00 C ATOM 1065 CE LYS A 68 86.173 -5.842 -7.432 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.783 -6.572 -6.286 1.00 0.00 N ATOM 0 H LYS A 68 84.441 -0.623 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 68 84.468 -1.817 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.985 -1.916 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.936 -3.263 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.436 -3.011 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.048 -3.911 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.774 -5.186 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.507 -4.464 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.593 -6.514 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.937 -5.390 -8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.788 -6.751 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.697 -5.998 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.290 -7.478 -6.149 1.00 0.00 H new ATOM 1080 N ASN A 69 82.253 -2.981 -5.132 1.00 0.00 N ATOM 1081 CA ASN A 69 81.037 -3.838 -5.089 1.00 0.00 C ATOM 1082 C ASN A 69 79.907 -3.188 -5.895 1.00 0.00 C ATOM 1083 O ASN A 69 79.242 -3.834 -6.679 1.00 0.00 O ATOM 1084 CB ASN A 69 80.667 -3.914 -3.608 1.00 0.00 C ATOM 1085 CG ASN A 69 81.127 -5.255 -3.036 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.321 -6.121 -2.761 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.400 -5.465 -2.845 1.00 0.00 N ATOM 0 H ASN A 69 82.466 -2.483 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 69 81.206 -4.825 -5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.135 -3.094 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.589 -3.805 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.718 -6.356 -2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.077 -4.738 -3.076 1.00 0.00 H new ATOM 1094 N LEU A 70 79.685 -1.917 -5.707 1.00 0.00 N ATOM 1095 CA LEU A 70 78.595 -1.229 -6.460 1.00 0.00 C ATOM 1096 C LEU A 70 78.982 -1.067 -7.934 1.00 0.00 C ATOM 1097 O LEU A 70 78.137 -0.871 -8.785 1.00 0.00 O ATOM 1098 CB LEU A 70 78.450 0.135 -5.780 1.00 0.00 C ATOM 1099 CG LEU A 70 77.721 1.107 -6.711 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.359 0.526 -7.091 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.522 2.444 -5.993 1.00 0.00 C ATOM 0 H LEU A 70 80.210 -1.323 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 70 77.662 -1.792 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 70 77.898 0.029 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.433 0.530 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 70 78.314 1.261 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.840 1.218 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.499 -0.427 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 70 75.765 0.372 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.003 3.138 -6.654 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.929 2.288 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.493 2.859 -5.721 1.00 0.00 H new ATOM 1113 N GLU A 71 80.245 -1.146 -8.248 1.00 0.00 N ATOM 1114 CA GLU A 71 80.659 -0.998 -9.672 1.00 0.00 C ATOM 1115 C GLU A 71 80.720 -2.372 -10.343 1.00 0.00 C ATOM 1116 O GLU A 71 80.393 -2.521 -11.504 1.00 0.00 O ATOM 1117 CB GLU A 71 82.048 -0.350 -9.628 1.00 0.00 C ATOM 1118 CG GLU A 71 83.096 -1.396 -9.242 1.00 0.00 C ATOM 1119 CD GLU A 71 84.495 -0.788 -9.370 1.00 0.00 C ATOM 1120 OE1 GLU A 71 84.586 0.424 -9.477 1.00 0.00 O ATOM 1121 OE2 GLU A 71 85.451 -1.546 -9.359 1.00 0.00 O ATOM 0 H GLU A 71 81.004 -1.306 -7.586 1.00 0.00 H new ATOM 0 HA GLU A 71 79.957 -0.394 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.290 0.079 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.055 0.468 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.927 -1.735 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.007 -2.270 -9.887 1.00 0.00 H new ATOM 1128 N GLU A 72 81.139 -3.377 -9.624 1.00 0.00 N ATOM 1129 CA GLU A 72 81.225 -4.729 -10.217 1.00 0.00 C ATOM 1130 C GLU A 72 80.545 -5.764 -9.313 1.00 0.00 C ATOM 1131 O GLU A 72 80.901 -6.926 -9.317 1.00 0.00 O ATOM 1132 CB GLU A 72 82.722 -5.006 -10.318 1.00 0.00 C ATOM 1133 CG GLU A 72 82.969 -6.132 -11.324 1.00 0.00 C ATOM 1134 CD GLU A 72 83.424 -5.536 -12.656 1.00 0.00 C ATOM 1135 OE1 GLU A 72 82.950 -4.463 -12.996 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.240 -6.160 -13.315 1.00 0.00 O ATOM 0 H GLU A 72 81.425 -3.313 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 72 80.724 -4.789 -11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.249 -4.104 -10.630 1.00 0.00 H new ATOM 0 HB3 GLU A 72 83.117 -5.284 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.727 -6.816 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.058 -6.713 -11.466 1.00 0.00 H new ATOM 1143 N LYS A 73 79.574 -5.361 -8.537 1.00 0.00 N ATOM 1144 CA LYS A 73 78.892 -6.344 -7.644 1.00 0.00 C ATOM 1145 C LYS A 73 77.599 -5.758 -7.064 1.00 0.00 C ATOM 1146 O LYS A 73 77.169 -6.139 -5.995 1.00 0.00 O ATOM 1147 CB LYS A 73 79.898 -6.622 -6.528 1.00 0.00 C ATOM 1148 CG LYS A 73 79.764 -8.076 -6.070 1.00 0.00 C ATOM 1149 CD LYS A 73 80.759 -8.948 -6.838 1.00 0.00 C ATOM 1150 CE LYS A 73 80.915 -10.294 -6.128 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.823 -10.021 -4.979 1.00 0.00 N ATOM 0 H LYS A 73 79.226 -4.404 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 73 78.606 -7.248 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.911 -6.433 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 73 79.723 -5.948 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.951 -8.149 -4.999 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.747 -8.430 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.410 -9.102 -7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 73 81.724 -8.445 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.952 -10.675 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.337 -11.045 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.720 -10.530 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 82.010 -9.000 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.374 -10.343 -4.098 1.00 0.00 H new ATOM 1165 N GLN A 74 76.979 -4.836 -7.756 1.00 0.00 N ATOM 1166 CA GLN A 74 75.713 -4.232 -7.238 1.00 0.00 C ATOM 1167 C GLN A 74 74.754 -5.329 -6.744 1.00 0.00 C ATOM 1168 O GLN A 74 74.920 -5.869 -5.669 1.00 0.00 O ATOM 1169 CB GLN A 74 75.114 -3.488 -8.433 1.00 0.00 C ATOM 1170 CG GLN A 74 76.005 -2.300 -8.797 1.00 0.00 C ATOM 1171 CD GLN A 74 75.132 -1.129 -9.254 1.00 0.00 C ATOM 1172 OE1 GLN A 74 74.057 -0.916 -8.729 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.552 -0.355 -10.216 1.00 0.00 N ATOM 0 H GLN A 74 77.294 -4.475 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 74 75.890 -3.569 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.023 -4.162 -9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.109 -3.141 -8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.606 -2.005 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.699 -2.581 -9.589 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.454 -0.533 -10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.978 0.429 -10.527 1.00 0.00 H new ATOM 1182 N GLY A 75 73.744 -5.656 -7.507 1.00 0.00 N ATOM 1183 CA GLY A 75 72.793 -6.705 -7.058 1.00 0.00 C ATOM 1184 C GLY A 75 73.097 -8.025 -7.770 1.00 0.00 C ATOM 1185 O GLY A 75 72.206 -8.802 -8.050 1.00 0.00 O ATOM 0 H GLY A 75 73.540 -5.242 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY A 75 72.869 -6.838 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 75 71.770 -6.395 -7.270 1.00 0.00 H new ATOM 1189 N ALA A 76 74.360 -8.259 -8.045 1.00 0.00 N ATOM 1190 CA ALA A 76 74.833 -9.513 -8.733 1.00 0.00 C ATOM 1191 C ALA A 76 73.701 -10.467 -9.138 1.00 0.00 C ATOM 1192 O ALA A 76 73.646 -11.586 -8.670 1.00 0.00 O ATOM 1193 CB ALA A 76 75.721 -10.193 -7.693 1.00 0.00 C ATOM 0 H ALA A 76 75.112 -7.610 -7.813 1.00 0.00 H new ATOM 0 HA ALA A 76 75.336 -9.262 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 76 76.116 -11.122 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 76 76.547 -9.532 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 76 75.135 -10.411 -6.800 1.00 0.00 H new ATOM 1199 N GLU A 77 72.821 -10.051 -10.018 1.00 0.00 N ATOM 1200 CA GLU A 77 71.710 -10.954 -10.465 1.00 0.00 C ATOM 1201 C GLU A 77 71.264 -11.873 -9.322 1.00 0.00 C ATOM 1202 O GLU A 77 71.751 -12.977 -9.181 1.00 0.00 O ATOM 1203 CB GLU A 77 72.311 -11.777 -11.605 1.00 0.00 C ATOM 1204 CG GLU A 77 71.208 -12.172 -12.589 1.00 0.00 C ATOM 1205 CD GLU A 77 71.797 -13.058 -13.688 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.485 -14.007 -13.351 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.548 -12.773 -14.847 1.00 0.00 O ATOM 0 H GLU A 77 72.823 -9.125 -10.447 1.00 0.00 H new ATOM 0 HA GLU A 77 70.829 -10.394 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.080 -11.199 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.794 -12.669 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.413 -12.703 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.761 -11.280 -13.027 1.00 0.00 H new ATOM 1214 N ILE A 78 70.356 -11.428 -8.499 1.00 0.00 N ATOM 1215 CA ILE A 78 69.907 -12.285 -7.365 1.00 0.00 C ATOM 1216 C ILE A 78 68.386 -12.218 -7.214 1.00 0.00 C ATOM 1217 O ILE A 78 67.712 -11.523 -7.944 1.00 0.00 O ATOM 1218 CB ILE A 78 70.587 -11.700 -6.129 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.059 -11.414 -6.435 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.496 -12.698 -4.974 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.631 -10.514 -5.341 1.00 0.00 C ATOM 0 H ILE A 78 69.907 -10.514 -8.561 1.00 0.00 H new ATOM 0 HA ILE A 78 70.166 -13.333 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 78 70.087 -10.772 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.621 -12.347 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.154 -10.931 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.982 -12.280 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.449 -12.900 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.993 -13.627 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.680 -10.306 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.074 -9.578 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.548 -11.016 -4.377 1.00 0.00 H new ATOM 1233 N ASP A 79 67.846 -12.939 -6.270 1.00 0.00 N ATOM 1234 CA ASP A 79 66.370 -12.925 -6.069 1.00 0.00 C ATOM 1235 C ASP A 79 65.654 -12.955 -7.423 1.00 0.00 C ATOM 1236 O ASP A 79 64.589 -12.395 -7.590 1.00 0.00 O ATOM 1237 CB ASP A 79 66.078 -11.623 -5.313 1.00 0.00 C ATOM 1238 CG ASP A 79 66.075 -10.441 -6.284 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.026 -10.157 -6.836 1.00 0.00 O ATOM 1240 OD2 ASP A 79 67.122 -9.836 -6.453 1.00 0.00 O ATOM 0 H ASP A 79 68.365 -13.538 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 79 66.017 -13.793 -5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.113 -11.694 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.830 -11.466 -4.539 1.00 0.00 H new ATOM 1245 N GLY A 80 66.233 -13.617 -8.388 1.00 0.00 N ATOM 1246 CA GLY A 80 65.600 -13.703 -9.727 1.00 0.00 C ATOM 1247 C GLY A 80 65.794 -12.391 -10.491 1.00 0.00 C ATOM 1248 O GLY A 80 65.019 -12.056 -11.365 1.00 0.00 O ATOM 0 H GLY A 80 67.125 -14.105 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.036 -14.528 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.536 -13.916 -9.621 1.00 0.00 H new ATOM 1252 N ARG A 81 66.822 -11.647 -10.180 1.00 0.00 N ATOM 1253 CA ARG A 81 67.055 -10.361 -10.902 1.00 0.00 C ATOM 1254 C ARG A 81 68.202 -9.590 -10.248 1.00 0.00 C ATOM 1255 O ARG A 81 68.337 -9.564 -9.041 1.00 0.00 O ATOM 1256 CB ARG A 81 65.745 -9.579 -10.777 1.00 0.00 C ATOM 1257 CG ARG A 81 65.197 -9.714 -9.355 1.00 0.00 C ATOM 1258 CD ARG A 81 64.353 -8.484 -9.013 1.00 0.00 C ATOM 1259 NE ARG A 81 63.134 -8.609 -9.859 1.00 0.00 N ATOM 1260 CZ ARG A 81 63.162 -8.225 -11.107 1.00 0.00 C ATOM 1261 NH1 ARG A 81 63.369 -6.970 -11.397 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.983 -9.096 -12.062 1.00 0.00 N ATOM 0 H ARG A 81 67.508 -11.872 -9.460 1.00 0.00 H new ATOM 0 HA ARG A 81 67.330 -10.522 -11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.913 -8.528 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.016 -9.955 -11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.593 -10.617 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.018 -9.813 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.098 -8.462 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.892 -7.562 -9.230 1.00 0.00 H new ATOM 0 HE ARG A 81 62.277 -8.995 -9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.509 -6.290 -10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 81 63.391 -6.669 -12.371 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.821 -10.077 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 81 63.005 -8.796 -13.037 1.00 0.00 H new ATOM 1276 N SER A 82 69.032 -8.962 -11.033 1.00 0.00 N ATOM 1277 CA SER A 82 70.167 -8.196 -10.451 1.00 0.00 C ATOM 1278 C SER A 82 69.650 -7.014 -9.637 1.00 0.00 C ATOM 1279 O SER A 82 68.910 -6.182 -10.126 1.00 0.00 O ATOM 1280 CB SER A 82 70.982 -7.703 -11.644 1.00 0.00 C ATOM 1281 OG SER A 82 70.218 -7.852 -12.834 1.00 0.00 O ATOM 0 H SER A 82 68.973 -8.946 -12.051 1.00 0.00 H new ATOM 0 HA SER A 82 70.765 -8.810 -9.778 1.00 0.00 H new ATOM 0 HB2 SER A 82 71.256 -6.657 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.911 -8.268 -11.722 1.00 0.00 H new ATOM 0 HG SER A 82 70.376 -8.741 -13.215 1.00 0.00 H new ATOM 1287 N VAL A 83 70.042 -6.931 -8.401 1.00 0.00 N ATOM 1288 CA VAL A 83 69.583 -5.796 -7.548 1.00 0.00 C ATOM 1289 C VAL A 83 70.415 -4.547 -7.862 1.00 0.00 C ATOM 1290 O VAL A 83 71.507 -4.632 -8.389 1.00 0.00 O ATOM 1291 CB VAL A 83 69.785 -6.274 -6.101 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.030 -5.079 -5.175 1.00 0.00 C ATOM 1293 CG2 VAL A 83 68.530 -7.016 -5.642 1.00 0.00 C ATOM 0 H VAL A 83 70.661 -7.598 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 83 68.542 -5.524 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 83 70.650 -6.936 -6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.171 -5.433 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 83 70.922 -4.544 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.171 -4.409 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 83 68.665 -7.359 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 83 67.672 -6.345 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.357 -7.874 -6.291 1.00 0.00 H new ATOM 1303 N SER A 84 69.901 -3.386 -7.559 1.00 0.00 N ATOM 1304 CA SER A 84 70.659 -2.137 -7.860 1.00 0.00 C ATOM 1305 C SER A 84 71.195 -1.506 -6.573 1.00 0.00 C ATOM 1306 O SER A 84 70.523 -1.461 -5.561 1.00 0.00 O ATOM 1307 CB SER A 84 69.644 -1.209 -8.525 1.00 0.00 C ATOM 1308 OG SER A 84 69.200 -1.794 -9.742 1.00 0.00 O ATOM 0 H SER A 84 68.992 -3.248 -7.117 1.00 0.00 H new ATOM 0 HA SER A 84 71.522 -2.329 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.798 -1.040 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 84 70.096 -0.236 -8.719 1.00 0.00 H new ATOM 0 HG SER A 84 68.547 -1.202 -10.171 1.00 0.00 H new ATOM 1314 N LEU A 85 72.404 -1.017 -6.607 1.00 0.00 N ATOM 1315 CA LEU A 85 72.991 -0.385 -5.394 1.00 0.00 C ATOM 1316 C LEU A 85 72.943 1.141 -5.517 1.00 0.00 C ATOM 1317 O LEU A 85 73.480 1.715 -6.444 1.00 0.00 O ATOM 1318 CB LEU A 85 74.439 -0.874 -5.361 1.00 0.00 C ATOM 1319 CG LEU A 85 74.587 -1.955 -4.293 1.00 0.00 C ATOM 1320 CD1 LEU A 85 74.183 -3.309 -4.878 1.00 0.00 C ATOM 1321 CD2 LEU A 85 76.045 -2.017 -3.832 1.00 0.00 C ATOM 0 H LEU A 85 73.012 -1.028 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 85 72.449 -0.647 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.723 -1.270 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.110 -0.042 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 85 73.944 -1.718 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 85 74.289 -4.081 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 85 73.146 -3.267 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 85 74.826 -3.546 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 85 76.153 -2.788 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.685 -2.254 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 85 76.337 -1.052 -3.416 1.00 0.00 H new ATOM 1333 N TYR A 86 72.309 1.800 -4.587 1.00 0.00 N ATOM 1334 CA TYR A 86 72.232 3.287 -4.647 1.00 0.00 C ATOM 1335 C TYR A 86 73.235 3.896 -3.671 1.00 0.00 C ATOM 1336 O TYR A 86 72.966 4.032 -2.495 1.00 0.00 O ATOM 1337 CB TYR A 86 70.811 3.639 -4.221 1.00 0.00 C ATOM 1338 CG TYR A 86 69.852 3.351 -5.350 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.757 2.058 -5.877 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.056 4.379 -5.869 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.866 1.793 -6.923 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.165 4.114 -6.915 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.070 2.821 -7.442 1.00 0.00 C ATOM 1344 OH TYR A 86 67.191 2.560 -8.474 1.00 0.00 O ATOM 0 H TYR A 86 71.841 1.373 -3.788 1.00 0.00 H new ATOM 0 HA TYR A 86 72.463 3.669 -5.641 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.533 3.062 -3.339 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.755 4.692 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.371 1.265 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.130 5.377 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.792 0.795 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.551 4.907 -7.315 1.00 0.00 H new ATOM 0 HH TYR A 86 66.715 3.382 -8.714 1.00 0.00 H new ATOM 1354 N TYR A 87 74.387 4.257 -4.148 1.00 0.00 N ATOM 1355 CA TYR A 87 75.409 4.853 -3.256 1.00 0.00 C ATOM 1356 C TYR A 87 74.810 6.016 -2.464 1.00 0.00 C ATOM 1357 O TYR A 87 73.620 6.255 -2.488 1.00 0.00 O ATOM 1358 CB TYR A 87 76.495 5.355 -4.202 1.00 0.00 C ATOM 1359 CG TYR A 87 77.857 4.939 -3.697 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.060 4.688 -2.334 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.921 4.804 -4.598 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.325 4.302 -1.874 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.185 4.419 -4.138 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.387 4.167 -2.777 1.00 0.00 C ATOM 1365 OH TYR A 87 81.635 3.786 -2.323 1.00 0.00 O ATOM 0 H TYR A 87 74.666 4.164 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 87 75.792 4.140 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.331 4.953 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.445 6.441 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.241 4.792 -1.638 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.765 4.997 -5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.482 4.108 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.005 4.316 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 87 81.728 4.031 -1.379 1.00 0.00 H new ATOM 1375 N THR A 88 75.633 6.743 -1.770 1.00 0.00 N ATOM 1376 CA THR A 88 75.123 7.899 -0.976 1.00 0.00 C ATOM 1377 C THR A 88 76.251 8.888 -0.691 1.00 0.00 C ATOM 1378 O THR A 88 76.277 9.534 0.338 1.00 0.00 O ATOM 1379 CB THR A 88 74.596 7.290 0.325 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.865 8.275 1.042 1.00 0.00 O ATOM 1381 CG2 THR A 88 75.768 6.800 1.175 1.00 0.00 C ATOM 0 H THR A 88 76.640 6.590 -1.715 1.00 0.00 H new ATOM 0 HA THR A 88 74.348 8.452 -1.507 1.00 0.00 H new ATOM 0 HB THR A 88 73.944 6.448 0.095 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.391 9.100 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.390 6.367 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.327 6.045 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.424 7.639 1.408 1.00 0.00 H new ATOM 1389 N GLY A 89 77.174 9.023 -1.598 1.00 0.00 N ATOM 1390 CA GLY A 89 78.286 9.984 -1.381 1.00 0.00 C ATOM 1391 C GLY A 89 78.309 10.990 -2.518 1.00 0.00 C ATOM 1392 O GLY A 89 78.726 10.706 -3.624 1.00 0.00 O ATOM 0 H GLY A 89 77.206 8.510 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 89 78.157 10.498 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.236 9.453 -1.331 1.00 0.00 H new ATOM 1396 N GLU A 90 77.862 12.162 -2.234 1.00 0.00 N ATOM 1397 CA GLU A 90 77.833 13.241 -3.266 1.00 0.00 C ATOM 1398 C GLU A 90 77.410 12.670 -4.623 1.00 0.00 C ATOM 1399 O GLU A 90 77.934 13.052 -5.651 1.00 0.00 O ATOM 1400 CB GLU A 90 79.266 13.768 -3.330 1.00 0.00 C ATOM 1401 CG GLU A 90 79.339 14.930 -4.322 1.00 0.00 C ATOM 1402 CD GLU A 90 79.705 16.216 -3.578 1.00 0.00 C ATOM 1403 OE1 GLU A 90 78.811 16.826 -3.016 1.00 0.00 O ATOM 1404 OE2 GLU A 90 80.873 16.569 -3.584 1.00 0.00 O ATOM 0 H GLU A 90 77.506 12.436 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 90 77.120 14.027 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 90 79.588 14.098 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 90 79.944 12.972 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.082 14.719 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 90 78.381 15.050 -4.828 1.00 0.00 H new ATOM 1411 N LYS A 91 76.455 11.774 -4.627 1.00 0.00 N ATOM 1412 CA LYS A 91 75.971 11.176 -5.902 1.00 0.00 C ATOM 1413 C LYS A 91 77.130 11.011 -6.896 1.00 0.00 C ATOM 1414 O LYS A 91 76.961 11.085 -8.097 1.00 0.00 O ATOM 1415 CB LYS A 91 74.932 12.183 -6.379 1.00 0.00 C ATOM 1416 CG LYS A 91 74.626 11.983 -7.865 1.00 0.00 C ATOM 1417 CD LYS A 91 73.142 12.249 -8.123 1.00 0.00 C ATOM 1418 CE LYS A 91 72.436 10.930 -8.445 1.00 0.00 C ATOM 1419 NZ LYS A 91 71.055 11.321 -8.844 1.00 0.00 N ATOM 0 H LYS A 91 75.987 11.429 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 91 75.554 10.175 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 91 74.017 12.073 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 91 75.297 13.196 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 91 75.237 12.657 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 91 74.882 10.967 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 91 72.687 12.713 -7.248 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.025 12.948 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.943 10.397 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.424 10.267 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.508 10.469 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 70.595 11.821 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 71.097 11.947 -9.674 1.00 0.00 H new ATOM 1433 N GLY A 92 78.313 10.781 -6.396 1.00 0.00 N ATOM 1434 CA GLY A 92 79.483 10.608 -7.300 1.00 0.00 C ATOM 1435 C GLY A 92 79.114 9.655 -8.438 1.00 0.00 C ATOM 1436 O GLY A 92 78.143 8.929 -8.361 1.00 0.00 O ATOM 0 H GLY A 92 78.519 10.706 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 92 79.789 11.573 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 92 80.332 10.213 -6.742 1.00 0.00 H new ATOM 1440 N GLY A 93 79.879 9.652 -9.495 1.00 0.00 N ATOM 1441 CA GLY A 93 79.569 8.746 -10.636 1.00 0.00 C ATOM 1442 C GLY A 93 80.377 9.170 -11.863 1.00 0.00 C ATOM 1443 O GLY A 93 79.891 9.151 -12.975 1.00 0.00 O ATOM 0 H GLY A 93 80.705 10.238 -9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 93 79.806 7.716 -10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 93 78.503 8.780 -10.861 1.00 0.00 H new ATOM 1447 N THR A 94 81.610 9.550 -11.670 1.00 0.00 N ATOM 1448 CA THR A 94 82.450 9.975 -12.826 1.00 0.00 C ATOM 1449 C THR A 94 83.747 9.162 -12.863 1.00 0.00 C ATOM 1450 O THR A 94 84.831 9.700 -12.755 1.00 0.00 O ATOM 1451 CB THR A 94 82.750 11.453 -12.578 1.00 0.00 C ATOM 1452 OG1 THR A 94 83.568 11.951 -13.627 1.00 0.00 O ATOM 1453 CG2 THR A 94 83.477 11.612 -11.242 1.00 0.00 C ATOM 0 H THR A 94 82.073 9.585 -10.762 1.00 0.00 H new ATOM 0 HA THR A 94 81.948 9.817 -13.781 1.00 0.00 H new ATOM 0 HB THR A 94 81.815 12.013 -12.548 1.00 0.00 H new ATOM 0 HG1 THR A 94 84.375 11.400 -13.702 1.00 0.00 H new ATOM 0 HG21 THR A 94 83.690 12.667 -11.067 1.00 0.00 H new ATOM 0 HG22 THR A 94 82.848 11.231 -10.438 1.00 0.00 H new ATOM 0 HG23 THR A 94 84.412 11.052 -11.268 1.00 0.00 H new ATOM 1461 N ARG A 95 83.644 7.870 -13.015 1.00 0.00 N ATOM 1462 CA ARG A 95 84.871 7.023 -13.058 1.00 0.00 C ATOM 1463 C ARG A 95 85.697 7.224 -11.785 1.00 0.00 C ATOM 1464 O ARG A 95 85.518 8.186 -11.064 1.00 0.00 O ATOM 1465 CB ARG A 95 85.646 7.511 -14.283 1.00 0.00 C ATOM 1466 CG ARG A 95 85.713 6.390 -15.323 1.00 0.00 C ATOM 1467 CD ARG A 95 84.304 6.084 -15.837 1.00 0.00 C ATOM 1468 NE ARG A 95 83.932 7.265 -16.664 1.00 0.00 N ATOM 1469 CZ ARG A 95 82.679 7.607 -16.786 1.00 0.00 C ATOM 1470 NH1 ARG A 95 82.127 8.390 -15.901 1.00 0.00 N ATOM 1471 NH2 ARG A 95 81.977 7.166 -17.795 1.00 0.00 N ATOM 0 H ARG A 95 82.764 7.364 -13.111 1.00 0.00 H new ATOM 0 HA ARG A 95 84.638 5.960 -13.120 1.00 0.00 H new ATOM 0 HB2 ARG A 95 85.159 8.388 -14.709 1.00 0.00 H new ATOM 0 HB3 ARG A 95 86.652 7.814 -13.993 1.00 0.00 H new ATOM 0 HG2 ARG A 95 86.357 6.686 -16.151 1.00 0.00 H new ATOM 0 HG3 ARG A 95 86.152 5.496 -14.881 1.00 0.00 H new ATOM 0 HD2 ARG A 95 84.289 5.168 -16.428 1.00 0.00 H new ATOM 0 HD3 ARG A 95 83.605 5.943 -15.013 1.00 0.00 H new ATOM 0 HE ARG A 95 84.657 7.807 -17.135 1.00 0.00 H new ATOM 0 HH11 ARG A 95 82.675 8.735 -15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 95 81.147 8.657 -15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 95 82.408 6.554 -18.488 1.00 0.00 H new ATOM 0 HH22 ARG A 95 80.997 7.433 -17.890 1.00 0.00 H new ATOM 1485 N GLY A 96 86.600 6.326 -11.504 1.00 0.00 N ATOM 1486 CA GLY A 96 87.435 6.466 -10.278 1.00 0.00 C ATOM 1487 C GLY A 96 87.572 5.105 -9.593 1.00 0.00 C ATOM 1488 O GLY A 96 86.666 4.301 -9.731 1.00 0.00 O ATOM 1489 OXT GLY A 96 88.581 4.891 -8.941 1.00 0.00 O ATOM 0 H GLY A 96 86.796 5.501 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 96 88.420 6.854 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 96 86.980 7.184 -9.596 1.00 0.00 H new TER 1493 GLY A 96