USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 698 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 Set 1.1: A 58 ASN : amide:sc= 0.879 K(o=2.7,f=0.59) USER MOD Set 1.2: A 69 THR OG1 : rot 28:sc= 1.79 USER MOD Set 2.1: A 27 ASN : amide:sc= 0.676 K(o=1.4,f=-2) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -159:sc= 0.755 (180deg=-0.0543) USER MOD Set 3.1: A 26 THR OG1 : rot -76:sc= 2.15 USER MOD Set 3.2: A 68 TYR OH : rot 32:sc= 2.27 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.34 (180deg=2.27) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 6 GLN : amide:sc= 1.46 K(o=1.5,f=-2.4) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0492 USER MOD Single : A 15 MET CE :methyl -162:sc= -0.033 (180deg=-0.169) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 0.696 (180deg=0.455) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=-0.00398 (180deg=-0.151) USER MOD Single : A 21 HIS : no HD1:sc= 0.909 K(o=0.91,f=-2.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 23 SER OG : rot 0:sc= 0.367 USER MOD Single : A 25 ASN : amide:sc= 0.406 K(o=0.41,f=-10!) USER MOD Single : A 34 SER OG : rot -68:sc= 0.988 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= 0.329 (180deg=-0.349) USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.09 USER MOD Single : A 37 SER OG : rot 179:sc= 1.08 USER MOD Single : A 38 THR OG1 : rot 62:sc= 0.121 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00691 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 45 GLN : amide:sc= 0.0359 X(o=0.036,f=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0284) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 1.37 (180deg=1.31) USER MOD Single : A 59 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.24) USER MOD Single : A 60 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc=-0.00149 (180deg=-0.0301) USER MOD Single : A 71 ASN : amide:sc= -0.715! C(o=-0.71!,f=-6!) USER MOD Single : A 75 SER OG : rot 77:sc= 1.17 USER MOD Single : A 77 TYR OH : rot 105:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -0:sc= 0.389 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.459 11.523 5.002 1.00 0.00 N ATOM 2 CA MET A 1 3.451 12.339 5.697 1.00 0.00 C ATOM 3 C MET A 1 4.013 13.755 5.707 1.00 0.00 C ATOM 4 O MET A 1 5.209 13.877 5.968 1.00 0.00 O ATOM 5 CB MET A 1 3.189 11.794 7.111 1.00 0.00 C ATOM 6 CG MET A 1 1.735 12.005 7.551 1.00 0.00 C ATOM 7 SD MET A 1 1.185 13.727 7.616 1.00 0.00 S ATOM 8 CE MET A 1 -0.599 13.482 7.760 1.00 0.00 C ATOM 0 H1 MET A 1 4.121 10.542 4.929 1.00 0.00 H new ATOM 0 H2 MET A 1 4.618 11.906 4.048 1.00 0.00 H new ATOM 0 H3 MET A 1 5.351 11.543 5.537 1.00 0.00 H new ATOM 0 HA MET A 1 2.482 12.317 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.425 10.730 7.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.856 12.287 7.818 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.084 11.459 6.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.604 11.562 8.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.096 14.451 7.812 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.962 12.934 6.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.816 12.914 8.664 1.00 0.00 H new ATOM 20 N LYS A 2 3.212 14.773 5.366 1.00 0.00 N ATOM 21 CA LYS A 2 3.655 16.141 5.095 1.00 0.00 C ATOM 22 C LYS A 2 4.445 16.061 3.784 1.00 0.00 C ATOM 23 O LYS A 2 3.962 16.476 2.735 1.00 0.00 O ATOM 24 CB LYS A 2 4.427 16.786 6.260 1.00 0.00 C ATOM 25 CG LYS A 2 3.608 16.754 7.558 1.00 0.00 C ATOM 26 CD LYS A 2 4.179 17.692 8.632 1.00 0.00 C ATOM 27 CE LYS A 2 5.593 17.292 9.071 1.00 0.00 C ATOM 28 NZ LYS A 2 6.068 18.141 10.179 1.00 0.00 N ATOM 0 H LYS A 2 2.203 14.660 5.269 1.00 0.00 H new ATOM 0 HA LYS A 2 2.806 16.816 4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.370 16.260 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.674 17.818 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.578 17.037 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.584 15.735 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.197 18.712 8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.519 17.690 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.598 16.247 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.276 17.376 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.027 17.847 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.085 19.135 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.428 18.041 10.992 1.00 0.00 H new ATOM 42 N LYS A 3 5.628 15.447 3.839 1.00 0.00 N ATOM 43 CA LYS A 3 6.367 15.049 2.660 1.00 0.00 C ATOM 44 C LYS A 3 5.534 13.926 2.029 1.00 0.00 C ATOM 45 O LYS A 3 5.104 12.999 2.732 1.00 0.00 O ATOM 46 CB LYS A 3 7.755 14.548 3.085 1.00 0.00 C ATOM 47 CG LYS A 3 8.660 14.212 1.890 1.00 0.00 C ATOM 48 CD LYS A 3 9.926 13.454 2.318 1.00 0.00 C ATOM 49 CE LYS A 3 10.748 14.163 3.402 1.00 0.00 C ATOM 50 NZ LYS A 3 11.175 15.504 2.973 1.00 0.00 N ATOM 0 H LYS A 3 6.096 15.214 4.715 1.00 0.00 H new ATOM 0 HA LYS A 3 6.523 15.864 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.238 15.309 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.641 13.661 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.103 13.610 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.944 15.133 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.639 12.468 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.557 13.300 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.155 14.244 4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.625 13.562 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.728 15.952 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.762 15.425 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.338 16.085 2.766 1.00 0.00 H new ATOM 64 N ILE A 4 5.260 14.024 0.727 1.00 0.00 N ATOM 65 CA ILE A 4 4.494 13.011 0.015 1.00 0.00 C ATOM 66 C ILE A 4 5.290 11.696 0.080 1.00 0.00 C ATOM 67 O ILE A 4 6.516 11.745 -0.033 1.00 0.00 O ATOM 68 CB ILE A 4 4.241 13.456 -1.442 1.00 0.00 C ATOM 69 CG1 ILE A 4 3.713 14.900 -1.564 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.281 12.492 -2.154 1.00 0.00 C ATOM 71 CD1 ILE A 4 2.439 15.179 -0.759 1.00 0.00 C ATOM 0 H ILE A 4 5.562 14.804 0.143 1.00 0.00 H new ATOM 0 HA ILE A 4 3.516 12.867 0.473 1.00 0.00 H new ATOM 0 HB ILE A 4 5.216 13.431 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.493 15.588 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.519 15.115 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.120 12.829 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.712 11.491 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.328 12.471 -1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.138 16.217 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.641 14.519 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.630 14.999 0.299 1.00 0.00 H new ATOM 83 N PRO A 5 4.644 10.536 0.294 1.00 0.00 N ATOM 84 CA PRO A 5 5.319 9.248 0.342 1.00 0.00 C ATOM 85 C PRO A 5 6.273 9.052 -0.841 1.00 0.00 C ATOM 86 O PRO A 5 5.838 9.085 -1.990 1.00 0.00 O ATOM 87 CB PRO A 5 4.177 8.222 0.308 1.00 0.00 C ATOM 88 CG PRO A 5 3.071 8.922 1.087 1.00 0.00 C ATOM 89 CD PRO A 5 3.236 10.375 0.638 1.00 0.00 C ATOM 0 HA PRO A 5 5.946 9.152 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.870 7.992 -0.712 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.466 7.280 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.085 8.528 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.197 8.811 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.598 10.593 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.948 11.063 1.433 1.00 0.00 H new ATOM 97 N GLN A 6 7.570 8.850 -0.571 1.00 0.00 N ATOM 98 CA GLN A 6 8.565 8.588 -1.606 1.00 0.00 C ATOM 99 C GLN A 6 8.374 7.151 -2.096 1.00 0.00 C ATOM 100 O GLN A 6 9.109 6.236 -1.730 1.00 0.00 O ATOM 101 CB GLN A 6 9.986 8.851 -1.076 1.00 0.00 C ATOM 102 CG GLN A 6 10.338 10.348 -1.060 1.00 0.00 C ATOM 103 CD GLN A 6 10.509 10.931 -2.465 1.00 0.00 C ATOM 104 OE1 GLN A 6 10.342 10.238 -3.465 1.00 0.00 O ATOM 105 NE2 GLN A 6 10.839 12.210 -2.568 1.00 0.00 N ATOM 0 H GLN A 6 7.954 8.865 0.374 1.00 0.00 H new ATOM 0 HA GLN A 6 8.431 9.265 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.075 8.449 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 6 10.707 8.318 -1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.554 10.896 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 6 11.259 10.494 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.974 12.771 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.958 12.633 -3.488 1.00 0.00 H new ATOM 114 N ILE A 7 7.332 6.968 -2.899 1.00 0.00 N ATOM 115 CA ILE A 7 6.877 5.700 -3.433 1.00 0.00 C ATOM 116 C ILE A 7 7.690 5.287 -4.666 1.00 0.00 C ATOM 117 O ILE A 7 7.768 6.031 -5.643 1.00 0.00 O ATOM 118 CB ILE A 7 5.377 5.868 -3.749 1.00 0.00 C ATOM 119 CG1 ILE A 7 4.521 5.981 -2.481 1.00 0.00 C ATOM 120 CG2 ILE A 7 4.827 4.813 -4.702 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.364 4.687 -1.686 1.00 0.00 C ATOM 0 H ILE A 7 6.753 7.748 -3.209 1.00 0.00 H new ATOM 0 HA ILE A 7 7.022 4.895 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 7 5.307 6.818 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.961 6.737 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.530 6.339 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.767 4.997 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.364 4.863 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.956 3.824 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.743 4.872 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.892 3.930 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.345 4.334 -1.368 1.00 0.00 H new ATOM 133 N SER A 8 8.280 4.089 -4.628 1.00 0.00 N ATOM 134 CA SER A 8 8.956 3.497 -5.776 1.00 0.00 C ATOM 135 C SER A 8 7.917 2.813 -6.678 1.00 0.00 C ATOM 136 O SER A 8 6.725 2.798 -6.374 1.00 0.00 O ATOM 137 CB SER A 8 10.036 2.517 -5.300 1.00 0.00 C ATOM 138 OG SER A 8 10.767 2.017 -6.407 1.00 0.00 O ATOM 0 H SER A 8 8.300 3.503 -3.793 1.00 0.00 H new ATOM 0 HA SER A 8 9.454 4.271 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.711 3.018 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.575 1.692 -4.757 1.00 0.00 H new ATOM 0 HG SER A 8 11.454 1.394 -6.091 1.00 0.00 H new ATOM 144 N ASP A 9 8.378 2.206 -7.772 1.00 0.00 N ATOM 145 CA ASP A 9 7.531 1.546 -8.761 1.00 0.00 C ATOM 146 C ASP A 9 6.636 0.480 -8.120 1.00 0.00 C ATOM 147 O ASP A 9 5.413 0.593 -8.145 1.00 0.00 O ATOM 148 CB ASP A 9 8.401 0.950 -9.874 1.00 0.00 C ATOM 149 CG ASP A 9 7.575 0.112 -10.846 1.00 0.00 C ATOM 150 OD1 ASP A 9 6.603 0.671 -11.396 1.00 0.00 O ATOM 151 OD2 ASP A 9 7.935 -1.073 -11.014 1.00 0.00 O ATOM 0 H ASP A 9 9.371 2.159 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 9 6.866 2.292 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.898 1.753 -10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.183 0.332 -9.433 1.00 0.00 H new ATOM 156 N ALA A 10 7.253 -0.552 -7.535 1.00 0.00 N ATOM 157 CA ALA A 10 6.532 -1.647 -6.896 1.00 0.00 C ATOM 158 C ALA A 10 5.519 -1.109 -5.885 1.00 0.00 C ATOM 159 O ALA A 10 4.363 -1.522 -5.864 1.00 0.00 O ATOM 160 CB ALA A 10 7.525 -2.601 -6.227 1.00 0.00 C ATOM 0 H ALA A 10 8.268 -0.647 -7.494 1.00 0.00 H new ATOM 0 HA ALA A 10 5.979 -2.199 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.981 -3.417 -5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.203 -3.006 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.099 -2.060 -5.475 1.00 0.00 H new ATOM 166 N GLU A 11 5.953 -0.165 -5.051 1.00 0.00 N ATOM 167 CA GLU A 11 5.083 0.460 -4.074 1.00 0.00 C ATOM 168 C GLU A 11 3.878 1.104 -4.775 1.00 0.00 C ATOM 169 O GLU A 11 2.740 0.896 -4.362 1.00 0.00 O ATOM 170 CB GLU A 11 5.881 1.484 -3.266 1.00 0.00 C ATOM 171 CG GLU A 11 6.893 0.822 -2.325 1.00 0.00 C ATOM 172 CD GLU A 11 7.721 1.873 -1.594 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.495 2.559 -2.297 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.558 1.989 -0.361 1.00 0.00 O ATOM 0 H GLU A 11 6.912 0.182 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 11 4.697 -0.292 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.406 2.152 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.195 2.098 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.369 0.198 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.551 0.166 -2.895 1.00 0.00 H new ATOM 181 N LEU A 12 4.110 1.880 -5.836 1.00 0.00 N ATOM 182 CA LEU A 12 3.031 2.535 -6.562 1.00 0.00 C ATOM 183 C LEU A 12 2.065 1.492 -7.117 1.00 0.00 C ATOM 184 O LEU A 12 0.856 1.685 -7.027 1.00 0.00 O ATOM 185 CB LEU A 12 3.600 3.463 -7.646 1.00 0.00 C ATOM 186 CG LEU A 12 2.605 4.398 -8.359 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.933 3.745 -9.566 1.00 0.00 C ATOM 188 CD2 LEU A 12 1.555 4.999 -7.416 1.00 0.00 C ATOM 0 H LEU A 12 5.041 2.068 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 12 2.460 3.166 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.377 4.078 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.084 2.844 -8.401 1.00 0.00 H new ATOM 0 HG LEU A 12 3.218 5.221 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.244 4.453 -10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.692 3.454 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.383 2.861 -9.242 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.886 5.647 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.979 4.197 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.053 5.580 -6.640 1.00 0.00 H new ATOM 200 N GLU A 13 2.572 0.380 -7.664 1.00 0.00 N ATOM 201 CA GLU A 13 1.705 -0.697 -8.134 1.00 0.00 C ATOM 202 C GLU A 13 0.729 -1.100 -7.025 1.00 0.00 C ATOM 203 O GLU A 13 -0.485 -1.120 -7.242 1.00 0.00 O ATOM 204 CB GLU A 13 2.514 -1.919 -8.572 1.00 0.00 C ATOM 205 CG GLU A 13 3.358 -1.685 -9.833 1.00 0.00 C ATOM 206 CD GLU A 13 4.139 -2.930 -10.246 1.00 0.00 C ATOM 207 OE1 GLU A 13 3.482 -3.963 -10.507 1.00 0.00 O ATOM 208 OE2 GLU A 13 5.385 -2.835 -10.276 1.00 0.00 O ATOM 0 H GLU A 13 3.569 0.207 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 13 1.153 -0.328 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.172 -2.219 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.831 -2.749 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.707 -1.379 -10.652 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.053 -0.865 -9.655 1.00 0.00 H new ATOM 215 N VAL A 14 1.247 -1.414 -5.830 1.00 0.00 N ATOM 216 CA VAL A 14 0.359 -1.808 -4.746 1.00 0.00 C ATOM 217 C VAL A 14 -0.581 -0.661 -4.389 1.00 0.00 C ATOM 218 O VAL A 14 -1.771 -0.906 -4.218 1.00 0.00 O ATOM 219 CB VAL A 14 1.083 -2.432 -3.538 1.00 0.00 C ATOM 220 CG1 VAL A 14 2.203 -3.369 -4.004 1.00 0.00 C ATOM 221 CG2 VAL A 14 1.606 -1.490 -2.446 1.00 0.00 C ATOM 0 H VAL A 14 2.241 -1.402 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.258 -2.630 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 14 0.282 -2.975 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.702 -3.799 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.779 -4.168 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.925 -2.807 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.091 -2.074 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.326 -0.795 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.774 -0.931 -2.019 1.00 0.00 H new ATOM 231 N MET A 15 -0.089 0.584 -4.317 1.00 0.00 N ATOM 232 CA MET A 15 -0.963 1.715 -4.024 1.00 0.00 C ATOM 233 C MET A 15 -2.140 1.750 -4.998 1.00 0.00 C ATOM 234 O MET A 15 -3.284 1.911 -4.586 1.00 0.00 O ATOM 235 CB MET A 15 -0.249 3.061 -4.061 1.00 0.00 C ATOM 236 CG MET A 15 0.855 3.175 -3.022 1.00 0.00 C ATOM 237 SD MET A 15 0.935 4.752 -2.133 1.00 0.00 S ATOM 238 CE MET A 15 -0.475 4.539 -1.022 1.00 0.00 C ATOM 0 H MET A 15 0.892 0.825 -4.456 1.00 0.00 H new ATOM 0 HA MET A 15 -1.315 1.560 -3.004 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.176 3.214 -5.053 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.976 3.857 -3.900 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.728 2.374 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.812 3.008 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.779 5.509 -0.629 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.305 4.093 -1.569 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.192 3.886 -0.196 1.00 0.00 H new ATOM 248 N LYS A 16 -1.850 1.595 -6.291 1.00 0.00 N ATOM 249 CA LYS A 16 -2.852 1.589 -7.341 1.00 0.00 C ATOM 250 C LYS A 16 -3.891 0.506 -7.058 1.00 0.00 C ATOM 251 O LYS A 16 -5.087 0.774 -7.113 1.00 0.00 O ATOM 252 CB LYS A 16 -2.173 1.422 -8.707 1.00 0.00 C ATOM 253 CG LYS A 16 -3.048 1.900 -9.876 1.00 0.00 C ATOM 254 CD LYS A 16 -3.358 3.408 -9.876 1.00 0.00 C ATOM 255 CE LYS A 16 -2.096 4.271 -9.731 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.395 5.699 -9.928 1.00 0.00 N ATOM 0 H LYS A 16 -0.898 1.469 -6.636 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.382 2.541 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.236 1.979 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.921 0.372 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.550 1.646 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.989 1.350 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.868 3.670 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.044 3.634 -9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.663 4.122 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.349 3.951 -10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.514 6.214 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.049 5.809 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.833 6.084 -9.067 1.00 0.00 H new ATOM 270 N VAL A 17 -3.446 -0.710 -6.732 1.00 0.00 N ATOM 271 CA VAL A 17 -4.354 -1.795 -6.380 1.00 0.00 C ATOM 272 C VAL A 17 -5.221 -1.390 -5.176 1.00 0.00 C ATOM 273 O VAL A 17 -6.446 -1.517 -5.217 1.00 0.00 O ATOM 274 CB VAL A 17 -3.552 -3.084 -6.128 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.421 -4.168 -5.484 1.00 0.00 C ATOM 276 CG2 VAL A 17 -2.980 -3.617 -7.449 1.00 0.00 C ATOM 0 H VAL A 17 -2.459 -0.965 -6.706 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.035 -1.994 -7.208 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.740 -2.837 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.823 -5.064 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.804 -3.808 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.256 -4.405 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.414 -4.529 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.796 -3.833 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.322 -2.868 -7.889 1.00 0.00 H new ATOM 286 N ILE A 18 -4.588 -0.896 -4.108 1.00 0.00 N ATOM 287 CA ILE A 18 -5.284 -0.470 -2.899 1.00 0.00 C ATOM 288 C ILE A 18 -6.344 0.584 -3.250 1.00 0.00 C ATOM 289 O ILE A 18 -7.456 0.515 -2.738 1.00 0.00 O ATOM 290 CB ILE A 18 -4.279 0.015 -1.830 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.213 -1.071 -1.518 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.026 0.519 -0.582 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.971 -1.384 -0.037 1.00 0.00 C ATOM 0 H ILE A 18 -3.576 -0.782 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.808 -1.319 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.722 0.864 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.509 -1.993 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.267 -0.758 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.305 0.857 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.678 1.348 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.625 -0.291 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.207 -2.156 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.637 -0.482 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.897 -1.737 0.416 1.00 0.00 H new ATOM 305 N TRP A 19 -6.005 1.548 -4.113 1.00 0.00 N ATOM 306 CA TRP A 19 -6.914 2.598 -4.562 1.00 0.00 C ATOM 307 C TRP A 19 -8.002 2.059 -5.499 1.00 0.00 C ATOM 308 O TRP A 19 -9.106 2.597 -5.521 1.00 0.00 O ATOM 309 CB TRP A 19 -6.117 3.737 -5.228 1.00 0.00 C ATOM 310 CG TRP A 19 -5.339 4.635 -4.307 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.830 5.161 -3.161 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.985 5.184 -4.442 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.884 5.961 -2.564 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.729 6.006 -3.307 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.943 5.096 -5.396 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -2.517 6.674 -3.111 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.708 5.752 -5.197 1.00 0.00 C ATOM 318 CH2 TRP A 19 -1.487 6.528 -4.045 1.00 0.00 C ATOM 0 H TRP A 19 -5.074 1.618 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 19 -7.427 2.994 -3.685 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.422 3.296 -5.942 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.812 4.353 -5.799 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.821 4.979 -2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -5.022 6.457 -1.683 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -3.095 4.516 -6.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.377 7.300 -2.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.926 5.657 -5.936 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.532 7.006 -3.884 1.00 0.00 H new ATOM 329 N LYS A 20 -7.696 1.039 -6.307 1.00 0.00 N ATOM 330 CA LYS A 20 -8.658 0.445 -7.225 1.00 0.00 C ATOM 331 C LYS A 20 -9.800 -0.191 -6.432 1.00 0.00 C ATOM 332 O LYS A 20 -10.970 0.023 -6.746 1.00 0.00 O ATOM 333 CB LYS A 20 -7.949 -0.562 -8.147 1.00 0.00 C ATOM 334 CG LYS A 20 -8.880 -1.302 -9.120 1.00 0.00 C ATOM 335 CD LYS A 20 -9.644 -0.343 -10.045 1.00 0.00 C ATOM 336 CE LYS A 20 -10.493 -1.098 -11.075 1.00 0.00 C ATOM 337 NZ LYS A 20 -9.667 -1.869 -12.021 1.00 0.00 N ATOM 0 H LYS A 20 -6.773 0.606 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.093 1.214 -7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.188 -0.035 -8.723 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.431 -1.297 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.293 -1.994 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.593 -1.900 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.287 0.303 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.936 0.304 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.174 -1.773 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.107 -0.387 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.258 -2.194 -12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.902 -1.266 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.258 -2.692 -11.534 1.00 0.00 H new ATOM 351 N HIS A 21 -9.465 -1.011 -5.433 1.00 0.00 N ATOM 352 CA HIS A 21 -10.473 -1.597 -4.556 1.00 0.00 C ATOM 353 C HIS A 21 -10.962 -0.512 -3.581 1.00 0.00 C ATOM 354 O HIS A 21 -10.294 0.504 -3.417 1.00 0.00 O ATOM 355 CB HIS A 21 -9.877 -2.792 -3.807 1.00 0.00 C ATOM 356 CG HIS A 21 -9.576 -4.003 -4.655 1.00 0.00 C ATOM 357 ND1 HIS A 21 -10.280 -5.193 -4.470 1.00 0.00 N ATOM 358 CD2 HIS A 21 -8.620 -4.204 -5.618 1.00 0.00 C ATOM 359 CE1 HIS A 21 -9.723 -6.060 -5.317 1.00 0.00 C ATOM 360 NE2 HIS A 21 -8.719 -5.521 -6.025 1.00 0.00 N ATOM 0 H HIS A 21 -8.506 -1.282 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.321 -1.960 -5.137 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.955 -2.472 -3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.568 -3.085 -3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.920 -3.470 -5.989 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -10.046 -7.085 -5.422 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -8.143 -5.990 -6.724 1.00 0.00 H new ATOM 368 N SER A 22 -12.120 -0.690 -2.928 1.00 0.00 N ATOM 369 CA SER A 22 -12.628 0.309 -1.986 1.00 0.00 C ATOM 370 C SER A 22 -11.594 0.518 -0.875 1.00 0.00 C ATOM 371 O SER A 22 -11.173 1.637 -0.588 1.00 0.00 O ATOM 372 CB SER A 22 -13.983 -0.160 -1.448 1.00 0.00 C ATOM 373 OG SER A 22 -14.742 -0.696 -2.516 1.00 0.00 O ATOM 0 H SER A 22 -12.716 -1.511 -3.036 1.00 0.00 H new ATOM 0 HA SER A 22 -12.783 1.271 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.840 -0.913 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.515 0.673 -0.989 1.00 0.00 H new ATOM 0 HG SER A 22 -15.611 -1.000 -2.180 1.00 0.00 H new ATOM 379 N SER A 23 -11.261 -0.554 -0.159 1.00 0.00 N ATOM 380 CA SER A 23 -9.998 -0.619 0.554 1.00 0.00 C ATOM 381 C SER A 23 -9.450 -2.001 0.180 1.00 0.00 C ATOM 382 O SER A 23 -9.966 -2.591 -0.768 1.00 0.00 O ATOM 383 CB SER A 23 -10.280 -0.402 2.042 1.00 0.00 C ATOM 384 OG SER A 23 -10.790 0.909 2.211 1.00 0.00 O ATOM 0 H SER A 23 -11.848 -1.382 -0.061 1.00 0.00 H new ATOM 0 HA SER A 23 -9.258 0.140 0.302 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.998 -1.138 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.368 -0.533 2.624 1.00 0.00 H new ATOM 0 HG SER A 23 -10.839 1.356 1.340 1.00 0.00 H new ATOM 390 N ILE A 24 -8.539 -2.607 0.944 1.00 0.00 N ATOM 391 CA ILE A 24 -8.164 -4.003 0.732 1.00 0.00 C ATOM 392 C ILE A 24 -7.665 -4.604 2.050 1.00 0.00 C ATOM 393 O ILE A 24 -7.150 -3.839 2.868 1.00 0.00 O ATOM 394 CB ILE A 24 -7.227 -4.129 -0.483 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.138 -5.583 -0.967 1.00 0.00 C ATOM 396 CG2 ILE A 24 -5.852 -3.530 -0.188 1.00 0.00 C ATOM 397 CD1 ILE A 24 -6.720 -5.681 -2.437 1.00 0.00 C ATOM 0 H ILE A 24 -8.049 -2.152 1.714 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.024 -4.614 0.458 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.655 -3.549 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.421 -6.126 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.105 -6.068 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.214 -3.635 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.960 -2.474 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.400 -4.054 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.671 -6.729 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.450 -5.163 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.741 -5.221 -2.568 1.00 0.00 H new ATOM 409 N ASN A 25 -7.799 -5.921 2.274 1.00 0.00 N ATOM 410 CA ASN A 25 -7.236 -6.597 3.450 1.00 0.00 C ATOM 411 C ASN A 25 -5.968 -7.367 3.084 1.00 0.00 C ATOM 412 O ASN A 25 -5.735 -7.638 1.910 1.00 0.00 O ATOM 413 CB ASN A 25 -8.283 -7.445 4.197 1.00 0.00 C ATOM 414 CG ASN A 25 -8.516 -8.870 3.687 1.00 0.00 C ATOM 415 OD1 ASN A 25 -7.685 -9.478 3.019 1.00 0.00 O ATOM 416 ND2 ASN A 25 -9.658 -9.445 4.046 1.00 0.00 N ATOM 0 H ASN A 25 -8.301 -6.546 1.644 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.936 -5.832 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.986 -7.504 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.234 -6.914 4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.855 -10.406 3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.338 -8.926 4.601 1.00 0.00 H new ATOM 423 N THR A 26 -5.151 -7.729 4.078 1.00 0.00 N ATOM 424 CA THR A 26 -3.885 -8.421 3.864 1.00 0.00 C ATOM 425 C THR A 26 -3.982 -9.640 2.940 1.00 0.00 C ATOM 426 O THR A 26 -3.144 -9.810 2.059 1.00 0.00 O ATOM 427 CB THR A 26 -3.252 -8.796 5.209 1.00 0.00 C ATOM 428 OG1 THR A 26 -3.672 -7.884 6.203 1.00 0.00 O ATOM 429 CG2 THR A 26 -1.722 -8.782 5.099 1.00 0.00 C ATOM 0 H THR A 26 -5.355 -7.546 5.061 1.00 0.00 H new ATOM 0 HA THR A 26 -3.239 -7.717 3.339 1.00 0.00 H new ATOM 0 HB THR A 26 -3.573 -9.801 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.188 -7.039 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.286 -9.050 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.405 -9.501 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.387 -7.785 4.814 1.00 0.00 H new ATOM 437 N ASN A 27 -4.981 -10.505 3.123 1.00 0.00 N ATOM 438 CA ASN A 27 -5.094 -11.680 2.267 1.00 0.00 C ATOM 439 C ASN A 27 -5.360 -11.255 0.826 1.00 0.00 C ATOM 440 O ASN A 27 -4.675 -11.701 -0.092 1.00 0.00 O ATOM 441 CB ASN A 27 -6.196 -12.623 2.759 1.00 0.00 C ATOM 442 CG ASN A 27 -6.422 -13.741 1.741 1.00 0.00 C ATOM 443 OD1 ASN A 27 -5.639 -14.680 1.656 1.00 0.00 O ATOM 444 ND2 ASN A 27 -7.482 -13.640 0.943 1.00 0.00 N ATOM 0 H ASN A 27 -5.704 -10.417 3.837 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.149 -12.222 2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.918 -13.049 3.723 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.121 -12.066 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.660 -14.355 0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.117 -12.847 1.036 1.00 0.00 H new ATOM 451 N GLU A 28 -6.353 -10.385 0.637 1.00 0.00 N ATOM 452 CA GLU A 28 -6.759 -9.923 -0.675 1.00 0.00 C ATOM 453 C GLU A 28 -5.570 -9.270 -1.366 1.00 0.00 C ATOM 454 O GLU A 28 -5.287 -9.565 -2.523 1.00 0.00 O ATOM 455 CB GLU A 28 -7.904 -8.920 -0.516 1.00 0.00 C ATOM 456 CG GLU A 28 -9.170 -9.554 0.073 1.00 0.00 C ATOM 457 CD GLU A 28 -10.200 -8.493 0.456 1.00 0.00 C ATOM 458 OE1 GLU A 28 -9.773 -7.465 1.029 1.00 0.00 O ATOM 459 OE2 GLU A 28 -11.394 -8.732 0.176 1.00 0.00 O ATOM 0 H GLU A 28 -6.897 -9.983 1.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.102 -10.761 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.579 -8.103 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.139 -8.486 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.606 -10.241 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.908 -10.143 0.952 1.00 0.00 H new ATOM 466 N VAL A 29 -4.876 -8.389 -0.645 1.00 0.00 N ATOM 467 CA VAL A 29 -3.746 -7.664 -1.182 1.00 0.00 C ATOM 468 C VAL A 29 -2.636 -8.641 -1.556 1.00 0.00 C ATOM 469 O VAL A 29 -2.204 -8.630 -2.703 1.00 0.00 O ATOM 470 CB VAL A 29 -3.335 -6.511 -0.241 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.182 -6.797 0.721 1.00 0.00 C ATOM 472 CG2 VAL A 29 -2.936 -5.280 -1.049 1.00 0.00 C ATOM 0 H VAL A 29 -5.089 -8.165 0.327 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.015 -7.164 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.228 -6.360 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.987 -5.913 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.448 -7.631 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.288 -7.051 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.649 -4.477 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.094 -5.527 -1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.779 -4.956 -1.659 1.00 0.00 H new ATOM 482 N ILE A 30 -2.203 -9.518 -0.641 1.00 0.00 N ATOM 483 CA ILE A 30 -1.137 -10.465 -0.944 1.00 0.00 C ATOM 484 C ILE A 30 -1.508 -11.293 -2.177 1.00 0.00 C ATOM 485 O ILE A 30 -0.722 -11.359 -3.120 1.00 0.00 O ATOM 486 CB ILE A 30 -0.753 -11.293 0.302 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.030 -10.360 1.297 1.00 0.00 C ATOM 488 CG2 ILE A 30 0.164 -12.475 -0.055 1.00 0.00 C ATOM 489 CD1 ILE A 30 0.472 -11.047 2.569 1.00 0.00 C ATOM 0 H ILE A 30 -2.575 -9.587 0.306 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.226 -9.928 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.661 -11.707 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.818 -9.899 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.709 -9.555 1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.410 -13.031 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.348 -13.133 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.080 -12.100 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.966 -10.315 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.371 -11.484 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.180 -11.832 2.303 1.00 0.00 H new ATOM 501 N LYS A 31 -2.708 -11.884 -2.204 1.00 0.00 N ATOM 502 CA LYS A 31 -3.142 -12.670 -3.352 1.00 0.00 C ATOM 503 C LYS A 31 -3.120 -11.828 -4.636 1.00 0.00 C ATOM 504 O LYS A 31 -2.465 -12.203 -5.606 1.00 0.00 O ATOM 505 CB LYS A 31 -4.536 -13.263 -3.098 1.00 0.00 C ATOM 506 CG LYS A 31 -4.569 -14.299 -1.963 1.00 0.00 C ATOM 507 CD LYS A 31 -3.754 -15.558 -2.287 1.00 0.00 C ATOM 508 CE LYS A 31 -4.022 -16.673 -1.268 1.00 0.00 C ATOM 509 NZ LYS A 31 -3.709 -16.257 0.112 1.00 0.00 N ATOM 0 H LYS A 31 -3.388 -11.830 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.442 -13.494 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.227 -12.454 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.895 -13.730 -4.015 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.182 -13.845 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.603 -14.581 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.005 -15.909 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.692 -15.315 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.069 -16.972 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.426 -17.548 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.558 -17.100 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.847 -15.675 0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.501 -15.702 0.495 1.00 0.00 H new ATOM 523 N GLU A 32 -3.830 -10.695 -4.643 1.00 0.00 N ATOM 524 CA GLU A 32 -3.943 -9.810 -5.796 1.00 0.00 C ATOM 525 C GLU A 32 -2.567 -9.427 -6.345 1.00 0.00 C ATOM 526 O GLU A 32 -2.297 -9.578 -7.537 1.00 0.00 O ATOM 527 CB GLU A 32 -4.769 -8.576 -5.408 1.00 0.00 C ATOM 528 CG GLU A 32 -5.096 -7.662 -6.598 1.00 0.00 C ATOM 529 CD GLU A 32 -6.247 -8.172 -7.462 1.00 0.00 C ATOM 530 OE1 GLU A 32 -6.033 -9.172 -8.182 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.324 -7.540 -7.389 1.00 0.00 O ATOM 0 H GLU A 32 -4.350 -10.366 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.458 -10.335 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.700 -8.902 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.223 -8.003 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.345 -6.669 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.206 -7.555 -7.219 1.00 0.00 H new ATOM 538 N LEU A 33 -1.693 -8.913 -5.480 1.00 0.00 N ATOM 539 CA LEU A 33 -0.374 -8.489 -5.843 1.00 0.00 C ATOM 540 C LEU A 33 0.420 -9.689 -6.366 1.00 0.00 C ATOM 541 O LEU A 33 0.794 -9.688 -7.534 1.00 0.00 O ATOM 542 CB LEU A 33 0.239 -7.924 -4.566 1.00 0.00 C ATOM 543 CG LEU A 33 0.010 -6.436 -4.263 1.00 0.00 C ATOM 544 CD1 LEU A 33 -1.426 -5.934 -4.415 1.00 0.00 C ATOM 545 CD2 LEU A 33 0.502 -6.188 -2.835 1.00 0.00 C ATOM 0 H LEU A 33 -1.903 -8.784 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.374 -7.740 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.146 -8.501 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.314 -8.097 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 33 0.563 -5.871 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.467 -4.871 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.759 -6.088 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.078 -6.484 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.357 -5.139 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.062 -6.813 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.561 -6.436 -2.767 1.00 0.00 H new ATOM 557 N SER A 34 0.608 -10.741 -5.558 1.00 0.00 N ATOM 558 CA SER A 34 1.398 -11.898 -5.964 1.00 0.00 C ATOM 559 C SER A 34 0.900 -12.526 -7.271 1.00 0.00 C ATOM 560 O SER A 34 1.709 -13.014 -8.055 1.00 0.00 O ATOM 561 CB SER A 34 1.464 -12.934 -4.837 1.00 0.00 C ATOM 562 OG SER A 34 2.081 -12.389 -3.684 1.00 0.00 O ATOM 0 H SER A 34 0.220 -10.809 -4.617 1.00 0.00 H new ATOM 0 HA SER A 34 2.408 -11.539 -6.162 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.458 -13.273 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.021 -13.808 -5.174 1.00 0.00 H new ATOM 0 HG SER A 34 3.031 -12.230 -3.866 1.00 0.00 H new ATOM 568 N LYS A 35 -0.414 -12.524 -7.520 1.00 0.00 N ATOM 569 CA LYS A 35 -0.969 -13.077 -8.750 1.00 0.00 C ATOM 570 C LYS A 35 -0.494 -12.288 -9.971 1.00 0.00 C ATOM 571 O LYS A 35 -0.290 -12.863 -11.038 1.00 0.00 O ATOM 572 CB LYS A 35 -2.505 -13.020 -8.698 1.00 0.00 C ATOM 573 CG LYS A 35 -3.146 -13.777 -9.870 1.00 0.00 C ATOM 574 CD LYS A 35 -4.672 -13.920 -9.754 1.00 0.00 C ATOM 575 CE LYS A 35 -5.409 -12.573 -9.719 1.00 0.00 C ATOM 576 NZ LYS A 35 -5.518 -12.038 -8.350 1.00 0.00 N ATOM 0 H LYS A 35 -1.111 -12.143 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.629 -14.109 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.852 -13.446 -7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.831 -11.980 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.908 -13.259 -10.799 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.701 -14.770 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.040 -14.505 -10.597 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.910 -14.480 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.882 -11.855 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.407 -12.695 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.412 -11.004 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.448 -12.283 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.770 -12.450 -7.756 1.00 0.00 H new ATOM 590 N THR A 36 -0.374 -10.969 -9.825 1.00 0.00 N ATOM 591 CA THR A 36 -0.063 -10.065 -10.917 1.00 0.00 C ATOM 592 C THR A 36 1.446 -9.826 -11.000 1.00 0.00 C ATOM 593 O THR A 36 2.078 -10.177 -11.994 1.00 0.00 O ATOM 594 CB THR A 36 -0.904 -8.794 -10.726 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.721 -8.242 -9.436 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.393 -9.139 -10.876 1.00 0.00 C ATOM 0 H THR A 36 -0.493 -10.497 -8.929 1.00 0.00 H new ATOM 0 HA THR A 36 -0.327 -10.490 -11.885 1.00 0.00 H new ATOM 0 HB THR A 36 -0.585 -8.072 -11.478 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.317 -8.691 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.991 -8.238 -10.741 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.573 -9.548 -11.870 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.673 -9.877 -10.124 1.00 0.00 H new ATOM 604 N SER A 37 2.020 -9.250 -9.945 1.00 0.00 N ATOM 605 CA SER A 37 3.444 -8.996 -9.801 1.00 0.00 C ATOM 606 C SER A 37 3.928 -9.907 -8.672 1.00 0.00 C ATOM 607 O SER A 37 3.650 -9.657 -7.501 1.00 0.00 O ATOM 608 CB SER A 37 3.653 -7.514 -9.493 1.00 0.00 C ATOM 609 OG SER A 37 3.215 -6.731 -10.590 1.00 0.00 O ATOM 0 H SER A 37 1.481 -8.937 -9.138 1.00 0.00 H new ATOM 0 HA SER A 37 4.011 -9.211 -10.707 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.102 -7.238 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.707 -7.319 -9.293 1.00 0.00 H new ATOM 0 HG SER A 37 3.341 -5.781 -10.385 1.00 0.00 H new ATOM 615 N THR A 38 4.664 -10.960 -9.029 1.00 0.00 N ATOM 616 CA THR A 38 5.074 -12.039 -8.144 1.00 0.00 C ATOM 617 C THR A 38 6.079 -11.644 -7.054 1.00 0.00 C ATOM 618 O THR A 38 7.214 -12.119 -7.069 1.00 0.00 O ATOM 619 CB THR A 38 5.611 -13.181 -9.020 1.00 0.00 C ATOM 620 OG1 THR A 38 6.640 -12.670 -9.842 1.00 0.00 O ATOM 621 CG2 THR A 38 4.521 -13.780 -9.916 1.00 0.00 C ATOM 0 H THR A 38 5.002 -11.085 -9.983 1.00 0.00 H new ATOM 0 HA THR A 38 4.197 -12.349 -7.576 1.00 0.00 H new ATOM 0 HB THR A 38 5.978 -13.969 -8.362 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.373 -12.339 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.946 -14.584 -10.518 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.717 -14.177 -9.296 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.124 -13.006 -10.573 1.00 0.00 H new ATOM 629 N TRP A 39 5.670 -10.803 -6.103 1.00 0.00 N ATOM 630 CA TRP A 39 6.449 -10.488 -4.918 1.00 0.00 C ATOM 631 C TRP A 39 6.011 -11.463 -3.824 1.00 0.00 C ATOM 632 O TRP A 39 4.828 -11.804 -3.730 1.00 0.00 O ATOM 633 CB TRP A 39 6.185 -9.049 -4.476 1.00 0.00 C ATOM 634 CG TRP A 39 6.405 -7.984 -5.501 1.00 0.00 C ATOM 635 CD1 TRP A 39 7.565 -7.712 -6.138 1.00 0.00 C ATOM 636 CD2 TRP A 39 5.435 -7.030 -6.012 1.00 0.00 C ATOM 637 NE1 TRP A 39 7.386 -6.650 -7.003 1.00 0.00 N ATOM 638 CE2 TRP A 39 6.085 -6.190 -6.964 1.00 0.00 C ATOM 639 CE3 TRP A 39 4.066 -6.796 -5.768 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.405 -5.169 -7.644 1.00 0.00 C ATOM 641 CZ3 TRP A 39 3.373 -5.794 -6.463 1.00 0.00 C ATOM 642 CH2 TRP A 39 4.036 -4.994 -7.400 1.00 0.00 C ATOM 0 H TRP A 39 4.774 -10.317 -6.141 1.00 0.00 H new ATOM 0 HA TRP A 39 7.516 -10.582 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 39 5.153 -8.982 -4.131 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.822 -8.834 -3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 39 8.493 -8.245 -5.993 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.119 -6.257 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.545 -7.396 -5.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.926 -4.530 -8.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.321 -5.639 -6.274 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.488 -4.235 -7.940 1.00 0.00 H new ATOM 653 N SER A 40 6.954 -11.927 -3.004 1.00 0.00 N ATOM 654 CA SER A 40 6.663 -12.852 -1.922 1.00 0.00 C ATOM 655 C SER A 40 5.818 -12.160 -0.839 1.00 0.00 C ATOM 656 O SER A 40 5.926 -10.944 -0.676 1.00 0.00 O ATOM 657 CB SER A 40 7.999 -13.344 -1.356 1.00 0.00 C ATOM 658 OG SER A 40 8.867 -13.697 -2.416 1.00 0.00 O ATOM 0 H SER A 40 7.938 -11.669 -3.076 1.00 0.00 H new ATOM 0 HA SER A 40 6.084 -13.700 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.455 -12.565 -0.745 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.835 -14.204 -0.706 1.00 0.00 H new ATOM 0 HG SER A 40 9.721 -14.009 -2.050 1.00 0.00 H new ATOM 664 N PRO A 41 5.013 -12.900 -0.057 1.00 0.00 N ATOM 665 CA PRO A 41 4.204 -12.320 1.007 1.00 0.00 C ATOM 666 C PRO A 41 5.031 -11.429 1.943 1.00 0.00 C ATOM 667 O PRO A 41 4.564 -10.382 2.385 1.00 0.00 O ATOM 668 CB PRO A 41 3.556 -13.497 1.743 1.00 0.00 C ATOM 669 CG PRO A 41 3.639 -14.658 0.783 1.00 0.00 C ATOM 670 CD PRO A 41 4.798 -14.335 -0.159 1.00 0.00 C ATOM 0 HA PRO A 41 3.443 -11.656 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.080 -13.717 2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.521 -13.276 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.816 -15.593 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.707 -14.776 0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.696 -14.885 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.559 -14.621 -1.183 1.00 0.00 H new ATOM 678 N LYS A 42 6.258 -11.845 2.273 1.00 0.00 N ATOM 679 CA LYS A 42 7.154 -11.051 3.107 1.00 0.00 C ATOM 680 C LYS A 42 7.485 -9.711 2.435 1.00 0.00 C ATOM 681 O LYS A 42 7.472 -8.665 3.083 1.00 0.00 O ATOM 682 CB LYS A 42 8.410 -11.861 3.475 1.00 0.00 C ATOM 683 CG LYS A 42 9.238 -12.347 2.275 1.00 0.00 C ATOM 684 CD LYS A 42 10.442 -13.162 2.761 1.00 0.00 C ATOM 685 CE LYS A 42 11.279 -13.638 1.568 1.00 0.00 C ATOM 686 NZ LYS A 42 12.450 -14.415 2.011 1.00 0.00 N ATOM 0 H LYS A 42 6.652 -12.736 1.970 1.00 0.00 H new ATOM 0 HA LYS A 42 6.647 -10.811 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.046 -11.248 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.107 -12.727 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.618 -12.957 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.579 -11.494 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.056 -12.555 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.099 -14.020 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.662 -14.249 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.610 -12.777 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.996 -14.723 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.050 -13.822 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.132 -15.249 2.545 1.00 0.00 H new ATOM 700 N THR A 43 7.768 -9.734 1.130 1.00 0.00 N ATOM 701 CA THR A 43 8.074 -8.553 0.338 1.00 0.00 C ATOM 702 C THR A 43 6.887 -7.596 0.416 1.00 0.00 C ATOM 703 O THR A 43 7.042 -6.425 0.759 1.00 0.00 O ATOM 704 CB THR A 43 8.362 -9.000 -1.104 1.00 0.00 C ATOM 705 OG1 THR A 43 9.263 -10.090 -1.084 1.00 0.00 O ATOM 706 CG2 THR A 43 8.913 -7.882 -1.991 1.00 0.00 C ATOM 0 H THR A 43 7.790 -10.598 0.588 1.00 0.00 H new ATOM 0 HA THR A 43 8.953 -8.030 0.714 1.00 0.00 H new ATOM 0 HB THR A 43 7.409 -9.295 -1.543 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.448 -10.379 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.093 -8.269 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.191 -7.067 -2.040 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.849 -7.512 -1.571 1.00 0.00 H new ATOM 714 N ILE A 44 5.691 -8.110 0.124 1.00 0.00 N ATOM 715 CA ILE A 44 4.462 -7.342 0.182 1.00 0.00 C ATOM 716 C ILE A 44 4.291 -6.715 1.564 1.00 0.00 C ATOM 717 O ILE A 44 4.064 -5.512 1.674 1.00 0.00 O ATOM 718 CB ILE A 44 3.287 -8.244 -0.217 1.00 0.00 C ATOM 719 CG1 ILE A 44 3.531 -8.671 -1.677 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.971 -7.478 0.000 1.00 0.00 C ATOM 721 CD1 ILE A 44 2.445 -9.568 -2.257 1.00 0.00 C ATOM 0 H ILE A 44 5.555 -9.080 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 44 4.498 -6.514 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 44 3.210 -9.145 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.617 -7.777 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.487 -9.192 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.130 -8.112 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.881 -7.200 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.968 -6.578 -0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.694 -9.822 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.373 -10.481 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.489 -9.044 -2.234 1.00 0.00 H new ATOM 733 N GLN A 45 4.409 -7.518 2.621 1.00 0.00 N ATOM 734 CA GLN A 45 4.288 -7.016 3.981 1.00 0.00 C ATOM 735 C GLN A 45 5.329 -5.929 4.256 1.00 0.00 C ATOM 736 O GLN A 45 5.010 -4.925 4.893 1.00 0.00 O ATOM 737 CB GLN A 45 4.314 -8.186 4.962 1.00 0.00 C ATOM 738 CG GLN A 45 2.997 -8.965 4.817 1.00 0.00 C ATOM 739 CD GLN A 45 3.047 -10.287 5.565 1.00 0.00 C ATOM 740 OE1 GLN A 45 2.436 -10.450 6.616 1.00 0.00 O ATOM 741 NE2 GLN A 45 3.779 -11.245 5.010 1.00 0.00 N ATOM 0 H GLN A 45 4.589 -8.520 2.557 1.00 0.00 H new ATOM 0 HA GLN A 45 3.326 -6.522 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.164 -8.836 4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.430 -7.823 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.172 -8.362 5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.797 -9.150 3.762 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.272 -11.068 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.849 -12.158 5.459 1.00 0.00 H new ATOM 750 N THR A 46 6.552 -6.090 3.744 1.00 0.00 N ATOM 751 CA THR A 46 7.565 -5.052 3.870 1.00 0.00 C ATOM 752 C THR A 46 7.048 -3.770 3.204 1.00 0.00 C ATOM 753 O THR A 46 7.029 -2.720 3.839 1.00 0.00 O ATOM 754 CB THR A 46 8.913 -5.513 3.295 1.00 0.00 C ATOM 755 OG1 THR A 46 9.297 -6.740 3.882 1.00 0.00 O ATOM 756 CG2 THR A 46 10.016 -4.491 3.585 1.00 0.00 C ATOM 0 H THR A 46 6.858 -6.924 3.243 1.00 0.00 H new ATOM 0 HA THR A 46 7.748 -4.843 4.924 1.00 0.00 H new ATOM 0 HB THR A 46 8.787 -5.622 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.735 -7.461 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.958 -4.844 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.754 -3.534 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.122 -4.366 4.663 1.00 0.00 H new ATOM 764 N MET A 47 6.595 -3.844 1.946 1.00 0.00 N ATOM 765 CA MET A 47 6.069 -2.679 1.237 1.00 0.00 C ATOM 766 C MET A 47 4.932 -2.015 2.023 1.00 0.00 C ATOM 767 O MET A 47 4.939 -0.799 2.215 1.00 0.00 O ATOM 768 CB MET A 47 5.656 -3.040 -0.188 1.00 0.00 C ATOM 769 CG MET A 47 6.870 -3.444 -1.032 1.00 0.00 C ATOM 770 SD MET A 47 8.231 -2.251 -1.172 1.00 0.00 S ATOM 771 CE MET A 47 9.333 -3.177 -2.262 1.00 0.00 C ATOM 0 H MET A 47 6.584 -4.705 1.399 1.00 0.00 H new ATOM 0 HA MET A 47 6.869 -1.943 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.937 -3.859 -0.165 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.155 -2.190 -0.651 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.274 -4.368 -0.618 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.519 -3.672 -2.038 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.230 -2.589 -2.457 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.611 -4.117 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.824 -3.385 -3.203 1.00 0.00 H new ATOM 781 N LEU A 48 3.965 -2.807 2.498 1.00 0.00 N ATOM 782 CA LEU A 48 2.874 -2.299 3.325 1.00 0.00 C ATOM 783 C LEU A 48 3.463 -1.536 4.516 1.00 0.00 C ATOM 784 O LEU A 48 3.062 -0.406 4.795 1.00 0.00 O ATOM 785 CB LEU A 48 1.973 -3.450 3.803 1.00 0.00 C ATOM 786 CG LEU A 48 1.133 -4.092 2.684 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.567 -5.433 3.163 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.047 -3.199 2.285 1.00 0.00 C ATOM 0 H LEU A 48 3.919 -3.810 2.320 1.00 0.00 H new ATOM 0 HA LEU A 48 2.257 -1.622 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.595 -4.218 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.303 -3.076 4.577 1.00 0.00 H new ATOM 0 HG LEU A 48 1.788 -4.229 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.027 -5.883 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.387 -6.101 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.063 -5.270 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.618 -3.683 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.690 -3.038 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.327 -2.240 1.928 1.00 0.00 H new ATOM 800 N LEU A 49 4.434 -2.142 5.208 1.00 0.00 N ATOM 801 CA LEU A 49 5.100 -1.510 6.336 1.00 0.00 C ATOM 802 C LEU A 49 5.735 -0.179 5.914 1.00 0.00 C ATOM 803 O LEU A 49 5.601 0.803 6.641 1.00 0.00 O ATOM 804 CB LEU A 49 6.091 -2.488 6.986 1.00 0.00 C ATOM 805 CG LEU A 49 6.704 -1.947 8.290 1.00 0.00 C ATOM 806 CD1 LEU A 49 6.925 -3.102 9.272 1.00 0.00 C ATOM 807 CD2 LEU A 49 8.050 -1.254 8.039 1.00 0.00 C ATOM 0 H LEU A 49 4.774 -3.080 4.998 1.00 0.00 H new ATOM 0 HA LEU A 49 4.366 -1.262 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.581 -3.429 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.891 -2.709 6.279 1.00 0.00 H new ATOM 0 HG LEU A 49 6.008 -1.217 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.359 -2.717 10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.971 -3.580 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.603 -3.832 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.451 -0.886 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.750 -1.966 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.907 -0.418 7.355 1.00 0.00 H new ATOM 819 N ARG A 50 6.410 -0.125 4.755 1.00 0.00 N ATOM 820 CA ARG A 50 6.998 1.117 4.254 1.00 0.00 C ATOM 821 C ARG A 50 5.927 2.201 4.185 1.00 0.00 C ATOM 822 O ARG A 50 6.060 3.245 4.815 1.00 0.00 O ATOM 823 CB ARG A 50 7.662 0.954 2.880 1.00 0.00 C ATOM 824 CG ARG A 50 8.766 -0.099 2.893 1.00 0.00 C ATOM 825 CD ARG A 50 9.750 0.141 1.747 1.00 0.00 C ATOM 826 NE ARG A 50 10.649 -1.007 1.559 1.00 0.00 N ATOM 827 CZ ARG A 50 11.708 -1.300 2.327 1.00 0.00 C ATOM 828 NH1 ARG A 50 12.016 -0.533 3.378 1.00 0.00 N ATOM 829 NH2 ARG A 50 12.455 -2.369 2.036 1.00 0.00 N ATOM 0 H ARG A 50 6.560 -0.932 4.149 1.00 0.00 H new ATOM 0 HA ARG A 50 7.783 1.403 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.907 0.677 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.079 1.910 2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.294 -0.069 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.329 -1.093 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.198 0.327 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.338 1.035 1.953 1.00 0.00 H new ATOM 0 HE ARG A 50 10.450 -1.633 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.444 0.282 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.823 -0.762 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.218 -2.954 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.263 -2.600 2.615 1.00 0.00 H new ATOM 843 N LEU A 51 4.865 1.958 3.417 1.00 0.00 N ATOM 844 CA LEU A 51 3.746 2.867 3.272 1.00 0.00 C ATOM 845 C LEU A 51 3.185 3.295 4.624 1.00 0.00 C ATOM 846 O LEU A 51 2.936 4.481 4.825 1.00 0.00 O ATOM 847 CB LEU A 51 2.698 2.175 2.405 1.00 0.00 C ATOM 848 CG LEU A 51 3.068 2.289 0.918 1.00 0.00 C ATOM 849 CD1 LEU A 51 4.545 2.173 0.530 1.00 0.00 C ATOM 850 CD2 LEU A 51 2.227 1.337 0.064 1.00 0.00 C ATOM 0 H LEU A 51 4.764 1.103 2.870 1.00 0.00 H new ATOM 0 HA LEU A 51 4.071 3.789 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.620 1.125 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.720 2.625 2.578 1.00 0.00 H new ATOM 0 HG LEU A 51 2.833 3.332 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.646 2.274 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.114 2.962 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.928 1.201 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.511 1.440 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.399 0.310 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.171 1.582 0.179 1.00 0.00 H new ATOM 862 N ILE A 52 2.981 2.359 5.551 1.00 0.00 N ATOM 863 CA ILE A 52 2.496 2.709 6.879 1.00 0.00 C ATOM 864 C ILE A 52 3.481 3.690 7.533 1.00 0.00 C ATOM 865 O ILE A 52 3.080 4.772 7.956 1.00 0.00 O ATOM 866 CB ILE A 52 2.235 1.435 7.704 1.00 0.00 C ATOM 867 CG1 ILE A 52 1.029 0.687 7.106 1.00 0.00 C ATOM 868 CG2 ILE A 52 1.956 1.780 9.176 1.00 0.00 C ATOM 869 CD1 ILE A 52 0.976 -0.785 7.529 1.00 0.00 C ATOM 0 H ILE A 52 3.143 1.363 5.406 1.00 0.00 H new ATOM 0 HA ILE A 52 1.536 3.221 6.820 1.00 0.00 H new ATOM 0 HB ILE A 52 3.123 0.803 7.667 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.109 1.183 7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.073 0.747 6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.775 0.863 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.817 2.299 9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.078 2.423 9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.106 -1.262 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.881 -1.292 7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.903 -0.849 8.615 1.00 0.00 H new ATOM 881 N LYS A 53 4.773 3.349 7.572 1.00 0.00 N ATOM 882 CA LYS A 53 5.807 4.198 8.158 1.00 0.00 C ATOM 883 C LYS A 53 5.825 5.589 7.508 1.00 0.00 C ATOM 884 O LYS A 53 5.950 6.596 8.199 1.00 0.00 O ATOM 885 CB LYS A 53 7.170 3.497 8.050 1.00 0.00 C ATOM 886 CG LYS A 53 8.245 4.214 8.882 1.00 0.00 C ATOM 887 CD LYS A 53 9.647 3.622 8.670 1.00 0.00 C ATOM 888 CE LYS A 53 9.752 2.128 9.005 1.00 0.00 C ATOM 889 NZ LYS A 53 9.311 1.836 10.380 1.00 0.00 N ATOM 0 H LYS A 53 5.129 2.471 7.195 1.00 0.00 H new ATOM 0 HA LYS A 53 5.582 4.353 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.076 2.465 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.480 3.463 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.257 5.272 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.984 4.151 9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.940 3.772 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.359 4.172 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.147 1.556 8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.784 1.800 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.446 0.825 10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.871 2.400 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.304 2.077 10.480 1.00 0.00 H new ATOM 903 N LYS A 54 5.695 5.649 6.180 1.00 0.00 N ATOM 904 CA LYS A 54 5.673 6.876 5.410 1.00 0.00 C ATOM 905 C LYS A 54 4.359 7.644 5.601 1.00 0.00 C ATOM 906 O LYS A 54 4.245 8.782 5.138 1.00 0.00 O ATOM 907 CB LYS A 54 5.861 6.493 3.937 1.00 0.00 C ATOM 908 CG LYS A 54 7.288 6.017 3.632 1.00 0.00 C ATOM 909 CD LYS A 54 7.377 5.490 2.194 1.00 0.00 C ATOM 910 CE LYS A 54 8.801 5.011 1.886 1.00 0.00 C ATOM 911 NZ LYS A 54 8.904 4.444 0.529 1.00 0.00 N ATOM 0 H LYS A 54 5.600 4.814 5.602 1.00 0.00 H new ATOM 0 HA LYS A 54 6.471 7.537 5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.155 5.705 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.626 7.352 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.990 6.839 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.575 5.233 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.673 4.669 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.091 6.275 1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.495 5.846 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.099 4.260 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.847 4.024 0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.178 3.710 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.760 5.197 -0.174 1.00 0.00 H new ATOM 925 N GLY A 55 3.360 7.052 6.261 1.00 0.00 N ATOM 926 CA GLY A 55 2.068 7.677 6.467 1.00 0.00 C ATOM 927 C GLY A 55 1.273 7.745 5.165 1.00 0.00 C ATOM 928 O GLY A 55 0.449 8.644 5.003 1.00 0.00 O ATOM 0 H GLY A 55 3.434 6.119 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.504 7.115 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.207 8.682 6.864 1.00 0.00 H new ATOM 932 N ALA A 56 1.496 6.793 4.257 1.00 0.00 N ATOM 933 CA ALA A 56 0.800 6.678 2.981 1.00 0.00 C ATOM 934 C ALA A 56 -0.528 5.932 3.159 1.00 0.00 C ATOM 935 O ALA A 56 -1.504 6.191 2.453 1.00 0.00 O ATOM 936 CB ALA A 56 1.699 5.920 2.001 1.00 0.00 C ATOM 0 H ALA A 56 2.190 6.058 4.398 1.00 0.00 H new ATOM 0 HA ALA A 56 0.581 7.673 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.192 5.826 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.632 6.466 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.914 4.927 2.397 1.00 0.00 H new ATOM 942 N LEU A 57 -0.554 4.997 4.110 1.00 0.00 N ATOM 943 CA LEU A 57 -1.702 4.181 4.463 1.00 0.00 C ATOM 944 C LEU A 57 -1.801 4.121 5.990 1.00 0.00 C ATOM 945 O LEU A 57 -0.837 4.418 6.696 1.00 0.00 O ATOM 946 CB LEU A 57 -1.539 2.751 3.922 1.00 0.00 C ATOM 947 CG LEU A 57 -1.277 2.590 2.413 1.00 0.00 C ATOM 948 CD1 LEU A 57 -0.995 1.108 2.156 1.00 0.00 C ATOM 949 CD2 LEU A 57 -2.449 3.021 1.524 1.00 0.00 C ATOM 0 H LEU A 57 0.266 4.783 4.678 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.600 4.621 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.716 2.279 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.442 2.193 4.169 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.441 3.239 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.804 0.953 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.122 0.799 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.858 0.515 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.184 2.876 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.327 2.420 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.671 4.074 1.700 1.00 0.00 H new ATOM 961 N ASN A 58 -2.975 3.735 6.480 1.00 0.00 N ATOM 962 CA ASN A 58 -3.323 3.486 7.871 1.00 0.00 C ATOM 963 C ASN A 58 -4.075 2.160 7.830 1.00 0.00 C ATOM 964 O ASN A 58 -4.575 1.812 6.762 1.00 0.00 O ATOM 965 CB ASN A 58 -4.203 4.619 8.414 1.00 0.00 C ATOM 966 CG ASN A 58 -4.865 4.219 9.729 1.00 0.00 C ATOM 967 OD1 ASN A 58 -4.258 4.330 10.787 1.00 0.00 O ATOM 968 ND2 ASN A 58 -6.090 3.704 9.675 1.00 0.00 N ATOM 0 H ASN A 58 -3.771 3.576 5.862 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.456 3.444 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.598 5.513 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.968 4.873 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.549 3.389 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.571 3.624 8.779 1.00 0.00 H new ATOM 975 N HIS A 59 -4.121 1.381 8.914 1.00 0.00 N ATOM 976 CA HIS A 59 -4.827 0.106 8.887 1.00 0.00 C ATOM 977 C HIS A 59 -5.692 -0.139 10.114 1.00 0.00 C ATOM 978 O HIS A 59 -5.505 0.485 11.157 1.00 0.00 O ATOM 979 CB HIS A 59 -3.852 -1.047 8.660 1.00 0.00 C ATOM 980 CG HIS A 59 -2.912 -1.255 9.813 1.00 0.00 C ATOM 981 ND1 HIS A 59 -3.229 -2.117 10.861 1.00 0.00 N ATOM 982 CD2 HIS A 59 -1.669 -0.724 10.027 1.00 0.00 C ATOM 983 CE1 HIS A 59 -2.170 -2.064 11.674 1.00 0.00 C ATOM 984 NE2 HIS A 59 -1.207 -1.244 11.219 1.00 0.00 N ATOM 0 H HIS A 59 -3.684 1.609 9.807 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.517 0.158 8.045 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.416 -1.964 8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.273 -0.854 7.757 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.148 -0.029 9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.096 -2.620 12.597 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.312 -1.045 11.666 1.00 0.00 H new ATOM 992 N HIS A 60 -6.656 -1.046 9.940 1.00 0.00 N ATOM 993 CA HIS A 60 -7.560 -1.548 10.964 1.00 0.00 C ATOM 994 C HIS A 60 -7.400 -3.069 11.009 1.00 0.00 C ATOM 995 O HIS A 60 -7.196 -3.688 9.967 1.00 0.00 O ATOM 996 CB HIS A 60 -9.009 -1.174 10.636 1.00 0.00 C ATOM 997 CG HIS A 60 -9.990 -1.944 11.482 1.00 0.00 C ATOM 998 ND1 HIS A 60 -9.842 -2.019 12.868 1.00 0.00 N ATOM 999 CD2 HIS A 60 -11.004 -2.781 11.098 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -10.780 -2.884 13.265 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -11.500 -3.371 12.242 1.00 0.00 N ATOM 0 H HIS A 60 -6.832 -1.470 9.029 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.320 -1.107 11.932 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.153 -0.105 10.794 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.205 -1.370 9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.350 -2.948 10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.941 -3.161 14.296 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.264 -4.045 12.299 1.00 0.00 H new ATOM 1009 N LYS A 61 -7.499 -3.676 12.193 1.00 0.00 N ATOM 1010 CA LYS A 61 -7.362 -5.115 12.371 1.00 0.00 C ATOM 1011 C LYS A 61 -8.697 -5.819 12.109 1.00 0.00 C ATOM 1012 O LYS A 61 -9.586 -5.829 12.960 1.00 0.00 O ATOM 1013 CB LYS A 61 -6.839 -5.424 13.778 1.00 0.00 C ATOM 1014 CG LYS A 61 -5.407 -4.899 13.962 1.00 0.00 C ATOM 1015 CD LYS A 61 -4.855 -5.190 15.366 1.00 0.00 C ATOM 1016 CE LYS A 61 -4.834 -6.681 15.737 1.00 0.00 C ATOM 1017 NZ LYS A 61 -4.134 -7.497 14.730 1.00 0.00 N ATOM 0 H LYS A 61 -7.679 -3.173 13.062 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.639 -5.493 11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.495 -4.970 14.521 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.860 -6.500 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.756 -5.356 13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.391 -3.824 13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.841 -4.796 15.435 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.456 -4.653 16.099 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.348 -6.806 16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.857 -7.041 15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.071 -8.480 15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.660 -7.468 13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.176 -7.120 14.582 1.00 0.00 H new ATOM 1031 N GLU A 62 -8.833 -6.444 10.939 1.00 0.00 N ATOM 1032 CA GLU A 62 -10.007 -7.219 10.583 1.00 0.00 C ATOM 1033 C GLU A 62 -9.773 -8.634 11.122 1.00 0.00 C ATOM 1034 O GLU A 62 -9.456 -9.574 10.387 1.00 0.00 O ATOM 1035 CB GLU A 62 -10.191 -7.148 9.061 1.00 0.00 C ATOM 1036 CG GLU A 62 -11.433 -7.890 8.550 1.00 0.00 C ATOM 1037 CD GLU A 62 -11.630 -7.667 7.052 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -10.839 -8.249 6.276 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -12.560 -6.908 6.708 1.00 0.00 O ATOM 0 H GLU A 62 -8.121 -6.422 10.209 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.933 -6.842 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.256 -6.102 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.307 -7.564 8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.332 -8.956 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.314 -7.545 9.091 1.00 0.00 H new ATOM 1046 N GLY A 63 -9.967 -8.761 12.436 1.00 0.00 N ATOM 1047 CA GLY A 63 -9.836 -9.996 13.192 1.00 0.00 C ATOM 1048 C GLY A 63 -8.436 -10.606 13.103 1.00 0.00 C ATOM 1049 O GLY A 63 -7.638 -10.472 14.027 1.00 0.00 O ATOM 0 H GLY A 63 -10.231 -7.969 13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.076 -9.803 14.237 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.565 -10.719 12.826 1.00 0.00 H new ATOM 1053 N ARG A 64 -8.159 -11.297 11.996 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.908 -12.000 11.738 1.00 0.00 C ATOM 1055 C ARG A 64 -6.021 -11.234 10.757 1.00 0.00 C ATOM 1056 O ARG A 64 -4.801 -11.238 10.902 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.207 -13.403 11.204 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.035 -14.205 12.216 1.00 0.00 C ATOM 1059 CD ARG A 64 -8.042 -15.683 11.825 1.00 0.00 C ATOM 1060 NE ARG A 64 -8.836 -16.474 12.773 1.00 0.00 N ATOM 1061 CZ ARG A 64 -9.006 -17.802 12.702 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -8.435 -18.503 11.716 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -9.749 -18.422 13.623 1.00 0.00 N ATOM 0 H ARG A 64 -8.826 -11.384 11.229 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.362 -12.077 12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.748 -13.330 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.273 -13.925 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.618 -14.086 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.055 -13.823 12.248 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.450 -15.795 10.821 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.020 -16.060 11.797 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.290 -15.978 13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.868 -18.027 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.567 -19.513 11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.183 -17.885 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.883 -19.432 13.575 1.00 0.00 H new ATOM 1077 N VAL A 65 -6.625 -10.609 9.744 1.00 0.00 N ATOM 1078 CA VAL A 65 -5.916 -9.831 8.734 1.00 0.00 C ATOM 1079 C VAL A 65 -6.139 -8.354 9.042 1.00 0.00 C ATOM 1080 O VAL A 65 -6.903 -8.027 9.948 1.00 0.00 O ATOM 1081 CB VAL A 65 -6.382 -10.229 7.321 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -5.953 -11.667 7.006 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -7.899 -10.100 7.130 1.00 0.00 C ATOM 0 H VAL A 65 -7.635 -10.631 9.603 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.845 -10.033 8.760 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.906 -9.531 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.289 -11.936 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.867 -11.742 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.398 -12.347 7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.164 -10.395 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.412 -10.747 7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.200 -9.066 7.298 1.00 0.00 H new ATOM 1093 N PHE A 66 -5.462 -7.447 8.337 1.00 0.00 N ATOM 1094 CA PHE A 66 -5.627 -6.018 8.540 1.00 0.00 C ATOM 1095 C PHE A 66 -6.021 -5.340 7.226 1.00 0.00 C ATOM 1096 O PHE A 66 -5.486 -5.666 6.166 1.00 0.00 O ATOM 1097 CB PHE A 66 -4.434 -5.399 9.294 1.00 0.00 C ATOM 1098 CG PHE A 66 -3.012 -5.661 8.813 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -2.463 -6.958 8.874 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -2.140 -4.568 8.651 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -1.092 -7.166 8.643 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -0.755 -4.765 8.505 1.00 0.00 C ATOM 1103 CZ PHE A 66 -0.235 -6.069 8.463 1.00 0.00 C ATOM 0 H PHE A 66 -4.786 -7.688 7.612 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.463 -5.834 9.215 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.580 -4.319 9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.494 -5.736 10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.101 -7.799 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.540 -3.565 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.698 -8.171 8.604 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.093 -3.915 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.820 -6.227 8.293 1.00 0.00 H new ATOM 1113 N VAL A 67 -7.026 -4.462 7.307 1.00 0.00 N ATOM 1114 CA VAL A 67 -7.595 -3.690 6.213 1.00 0.00 C ATOM 1115 C VAL A 67 -6.831 -2.381 6.124 1.00 0.00 C ATOM 1116 O VAL A 67 -6.662 -1.727 7.151 1.00 0.00 O ATOM 1117 CB VAL A 67 -9.095 -3.451 6.463 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -9.683 -2.389 5.522 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -9.871 -4.753 6.249 1.00 0.00 C ATOM 0 H VAL A 67 -7.487 -4.264 8.195 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.507 -4.227 5.269 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.190 -3.098 7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.743 -2.258 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.162 -1.443 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.562 -2.712 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.932 -4.578 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.727 -5.098 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.507 -5.512 6.942 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.397 -1.994 4.921 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.645 -0.764 4.723 1.00 0.00 C ATOM 1131 C TYR A 68 -6.574 0.348 4.252 1.00 0.00 C ATOM 1132 O TYR A 68 -7.169 0.253 3.180 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.541 -0.983 3.681 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.651 -2.159 4.004 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.733 -2.070 5.065 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -3.914 -3.404 3.410 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -2.158 -3.238 5.592 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.349 -4.568 3.944 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.535 -4.493 5.083 1.00 0.00 C ATOM 1140 OH TYR A 68 -2.118 -5.645 5.677 1.00 0.00 O ATOM 0 H TYR A 68 -6.559 -2.525 4.065 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.192 -0.477 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.997 -1.137 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.932 -0.082 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.470 -1.106 5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.552 -3.463 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.429 -3.172 6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.540 -5.524 3.479 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.027 -5.501 6.642 1.00 0.00 H new ATOM 1150 N THR A 69 -6.649 1.420 5.034 1.00 0.00 N ATOM 1151 CA THR A 69 -7.363 2.642 4.731 1.00 0.00 C ATOM 1152 C THR A 69 -6.296 3.591 4.176 1.00 0.00 C ATOM 1153 O THR A 69 -5.366 3.918 4.918 1.00 0.00 O ATOM 1154 CB THR A 69 -7.963 3.195 6.033 1.00 0.00 C ATOM 1155 OG1 THR A 69 -6.971 3.223 7.043 1.00 0.00 O ATOM 1156 CG2 THR A 69 -9.120 2.320 6.522 1.00 0.00 C ATOM 0 H THR A 69 -6.187 1.455 5.943 1.00 0.00 H new ATOM 0 HA THR A 69 -8.179 2.504 4.022 1.00 0.00 H new ATOM 0 HB THR A 69 -8.333 4.200 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.087 3.324 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.525 2.735 7.445 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.901 2.292 5.763 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.758 1.309 6.707 1.00 0.00 H new ATOM 1164 N PRO A 70 -6.353 3.999 2.901 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.326 4.854 2.337 1.00 0.00 C ATOM 1166 C PRO A 70 -5.377 6.263 2.936 1.00 0.00 C ATOM 1167 O PRO A 70 -6.455 6.820 3.127 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.530 4.805 0.822 1.00 0.00 C ATOM 1169 CG PRO A 70 -7.023 4.516 0.691 1.00 0.00 C ATOM 1170 CD PRO A 70 -7.336 3.632 1.897 1.00 0.00 C ATOM 0 HA PRO A 70 -4.320 4.511 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.257 5.747 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.925 4.026 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.610 5.434 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.250 4.008 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.350 3.802 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.262 2.575 1.641 1.00 0.00 H new ATOM 1178 N ASN A 71 -4.204 6.830 3.238 1.00 0.00 N ATOM 1179 CA ASN A 71 -4.074 8.147 3.865 1.00 0.00 C ATOM 1180 C ASN A 71 -4.120 9.235 2.805 1.00 0.00 C ATOM 1181 O ASN A 71 -4.646 10.322 3.028 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.735 8.240 4.606 1.00 0.00 C ATOM 1183 CG ASN A 71 -2.651 7.278 5.783 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -3.588 6.551 6.086 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -1.508 7.262 6.454 1.00 0.00 N ATOM 0 H ASN A 71 -3.308 6.380 3.051 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.898 8.281 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.923 8.029 3.910 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.592 9.260 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.391 6.632 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.745 7.880 6.177 1.00 0.00 H new ATOM 1192 N ILE A 72 -3.540 8.921 1.650 1.00 0.00 N ATOM 1193 CA ILE A 72 -3.459 9.777 0.485 1.00 0.00 C ATOM 1194 C ILE A 72 -4.346 9.138 -0.583 1.00 0.00 C ATOM 1195 O ILE A 72 -4.432 7.913 -0.665 1.00 0.00 O ATOM 1196 CB ILE A 72 -1.993 9.887 0.026 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -1.272 8.529 0.092 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -1.215 10.871 0.914 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -0.072 8.483 -0.849 1.00 0.00 C ATOM 0 H ILE A 72 -3.094 8.016 1.501 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.800 10.791 0.693 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.019 10.239 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.941 8.341 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.970 7.733 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.182 10.932 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.676 11.857 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.234 10.523 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.412 7.509 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.407 8.645 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.638 9.262 -0.572 1.00 0.00 H new ATOM 1211 N ASP A 73 -5.046 9.958 -1.368 1.00 0.00 N ATOM 1212 CA ASP A 73 -5.960 9.491 -2.401 1.00 0.00 C ATOM 1213 C ASP A 73 -6.125 10.549 -3.488 1.00 0.00 C ATOM 1214 O ASP A 73 -5.760 10.312 -4.634 1.00 0.00 O ATOM 1215 CB ASP A 73 -7.301 9.133 -1.754 1.00 0.00 C ATOM 1216 CG ASP A 73 -8.270 8.560 -2.781 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -8.231 7.326 -2.973 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -9.027 9.371 -3.356 1.00 0.00 O ATOM 0 H ASP A 73 -4.991 10.974 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.553 8.600 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.141 8.408 -0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.736 10.021 -1.295 1.00 0.00 H new ATOM 1223 N GLU A 74 -6.650 11.719 -3.108 1.00 0.00 N ATOM 1224 CA GLU A 74 -6.901 12.867 -3.977 1.00 0.00 C ATOM 1225 C GLU A 74 -5.796 13.065 -5.023 1.00 0.00 C ATOM 1226 O GLU A 74 -6.018 12.913 -6.221 1.00 0.00 O ATOM 1227 CB GLU A 74 -7.117 14.153 -3.149 1.00 0.00 C ATOM 1228 CG GLU A 74 -6.782 14.093 -1.647 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.331 13.710 -1.373 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -4.447 14.408 -1.918 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -5.131 12.683 -0.689 1.00 0.00 O ATOM 0 H GLU A 74 -6.923 11.896 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.819 12.652 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.518 14.946 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.162 14.447 -3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.987 15.064 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.440 13.371 -1.163 1.00 0.00 H new ATOM 1238 N SER A 75 -4.598 13.402 -4.549 1.00 0.00 N ATOM 1239 CA SER A 75 -3.429 13.660 -5.378 1.00 0.00 C ATOM 1240 C SER A 75 -2.710 12.381 -5.824 1.00 0.00 C ATOM 1241 O SER A 75 -1.604 12.479 -6.350 1.00 0.00 O ATOM 1242 CB SER A 75 -2.462 14.553 -4.589 1.00 0.00 C ATOM 1243 OG SER A 75 -3.145 15.650 -4.010 1.00 0.00 O ATOM 0 H SER A 75 -4.412 13.505 -3.551 1.00 0.00 H new ATOM 0 HA SER A 75 -3.769 14.153 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.976 13.968 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.676 14.917 -5.250 1.00 0.00 H new ATOM 0 HG SER A 75 -3.637 15.348 -3.218 1.00 0.00 H new ATOM 1249 N ASP A 76 -3.305 11.200 -5.616 1.00 0.00 N ATOM 1250 CA ASP A 76 -2.717 9.901 -5.918 1.00 0.00 C ATOM 1251 C ASP A 76 -1.297 9.835 -5.344 1.00 0.00 C ATOM 1252 O ASP A 76 -1.144 9.742 -4.128 1.00 0.00 O ATOM 1253 CB ASP A 76 -2.836 9.609 -7.422 1.00 0.00 C ATOM 1254 CG ASP A 76 -2.404 8.186 -7.761 1.00 0.00 C ATOM 1255 OD1 ASP A 76 -3.267 7.288 -7.656 1.00 0.00 O ATOM 1256 OD2 ASP A 76 -1.225 8.021 -8.143 1.00 0.00 O ATOM 0 H ASP A 76 -4.242 11.126 -5.219 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.263 9.093 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.867 9.761 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -2.222 10.317 -7.979 1.00 0.00 H new ATOM 1261 N TYR A 77 -0.266 9.921 -6.188 1.00 0.00 N ATOM 1262 CA TYR A 77 1.127 9.930 -5.781 1.00 0.00 C ATOM 1263 C TYR A 77 1.900 10.924 -6.649 1.00 0.00 C ATOM 1264 O TYR A 77 2.245 10.619 -7.789 1.00 0.00 O ATOM 1265 CB TYR A 77 1.714 8.516 -5.891 1.00 0.00 C ATOM 1266 CG TYR A 77 3.232 8.464 -5.862 1.00 0.00 C ATOM 1267 CD1 TYR A 77 3.950 9.250 -4.942 1.00 0.00 C ATOM 1268 CD2 TYR A 77 3.927 7.775 -6.875 1.00 0.00 C ATOM 1269 CE1 TYR A 77 5.342 9.381 -5.068 1.00 0.00 C ATOM 1270 CE2 TYR A 77 5.329 7.827 -6.936 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.036 8.651 -6.043 1.00 0.00 C ATOM 1272 OH TYR A 77 7.395 8.649 -6.027 1.00 0.00 O ATOM 0 H TYR A 77 -0.388 9.988 -7.198 1.00 0.00 H new ATOM 0 HA TYR A 77 1.208 10.244 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.326 7.910 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.364 8.061 -6.818 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.431 9.752 -4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.378 7.203 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.881 10.047 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.862 7.236 -7.666 1.00 0.00 H new ATOM 0 HH TYR A 77 7.717 7.788 -5.687 1.00 0.00 H new ATOM 1282 N ILE A 78 2.177 12.112 -6.108 1.00 0.00 N ATOM 1283 CA ILE A 78 3.026 13.100 -6.757 1.00 0.00 C ATOM 1284 C ILE A 78 4.455 12.802 -6.297 1.00 0.00 C ATOM 1285 O ILE A 78 4.723 12.793 -5.096 1.00 0.00 O ATOM 1286 CB ILE A 78 2.587 14.529 -6.379 1.00 0.00 C ATOM 1287 CG1 ILE A 78 1.152 14.775 -6.879 1.00 0.00 C ATOM 1288 CG2 ILE A 78 3.552 15.567 -6.976 1.00 0.00 C ATOM 1289 CD1 ILE A 78 0.639 16.188 -6.581 1.00 0.00 C ATOM 0 H ILE A 78 1.815 12.412 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 78 2.954 13.042 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 78 2.610 14.633 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.115 14.602 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.484 14.049 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.226 16.569 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.557 15.393 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.558 15.475 -8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.378 16.293 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.644 16.357 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.285 16.920 -7.067 1.00 0.00 H new ATOM 1301 N GLU A 79 5.379 12.557 -7.230 1.00 0.00 N ATOM 1302 CA GLU A 79 6.760 12.294 -6.862 1.00 0.00 C ATOM 1303 C GLU A 79 7.399 13.619 -6.442 1.00 0.00 C ATOM 1304 O GLU A 79 7.827 14.408 -7.282 1.00 0.00 O ATOM 1305 CB GLU A 79 7.494 11.633 -8.036 1.00 0.00 C ATOM 1306 CG GLU A 79 8.933 11.254 -7.660 1.00 0.00 C ATOM 1307 CD GLU A 79 9.604 10.460 -8.775 1.00 0.00 C ATOM 1308 OE1 GLU A 79 9.274 9.260 -8.896 1.00 0.00 O ATOM 1309 OE2 GLU A 79 10.424 11.069 -9.496 1.00 0.00 O ATOM 0 H GLU A 79 5.193 12.537 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 79 6.821 11.600 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.952 10.741 -8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.507 12.313 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.508 12.157 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.929 10.665 -6.743 1.00 0.00 H new ATOM 1316 N VAL A 80 7.462 13.855 -5.132 1.00 0.00 N ATOM 1317 CA VAL A 80 8.070 15.049 -4.571 1.00 0.00 C ATOM 1318 C VAL A 80 9.593 14.932 -4.690 1.00 0.00 C ATOM 1319 O VAL A 80 10.139 13.830 -4.667 1.00 0.00 O ATOM 1320 CB VAL A 80 7.571 15.262 -3.128 1.00 0.00 C ATOM 1321 CG1 VAL A 80 8.036 14.166 -2.160 1.00 0.00 C ATOM 1322 CG2 VAL A 80 7.992 16.631 -2.581 1.00 0.00 C ATOM 0 H VAL A 80 7.089 13.216 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 80 7.775 15.940 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 80 6.484 15.213 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.651 14.375 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.662 13.199 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.125 14.144 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.622 16.745 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.079 16.705 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.574 17.418 -3.209 1.00 0.00 H new ATOM 1332 N LYS A 81 10.283 16.062 -4.852 1.00 0.00 N ATOM 1333 CA LYS A 81 11.733 16.110 -4.974 1.00 0.00 C ATOM 1334 C LYS A 81 12.329 16.617 -3.659 1.00 0.00 C ATOM 1335 O LYS A 81 13.041 17.621 -3.636 1.00 0.00 O ATOM 1336 CB LYS A 81 12.110 16.992 -6.174 1.00 0.00 C ATOM 1337 CG LYS A 81 11.514 16.429 -7.474 1.00 0.00 C ATOM 1338 CD LYS A 81 12.062 17.138 -8.721 1.00 0.00 C ATOM 1339 CE LYS A 81 11.690 18.625 -8.755 1.00 0.00 C ATOM 1340 NZ LYS A 81 12.111 19.253 -10.019 1.00 0.00 N ATOM 0 H LYS A 81 9.840 16.980 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 81 12.144 15.117 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.748 18.007 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.195 17.050 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.732 15.363 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.429 16.531 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.147 17.036 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.675 16.648 -9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.613 18.735 -8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.160 19.139 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.846 20.259 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.142 19.168 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.643 18.777 -10.816 1.00 0.00 H new ATOM 1354 N SER A 82 12.010 15.946 -2.552 1.00 0.00 N ATOM 1355 CA SER A 82 12.483 16.253 -1.214 1.00 0.00 C ATOM 1356 C SER A 82 12.244 15.006 -0.369 1.00 0.00 C ATOM 1357 O SER A 82 12.784 14.963 0.755 1.00 0.00 O ATOM 1358 CB SER A 82 11.710 17.431 -0.610 1.00 0.00 C ATOM 1359 OG SER A 82 11.811 18.603 -1.399 1.00 0.00 O ATOM 1360 OXT SER A 82 11.479 14.137 -0.850 1.00 0.00 O ATOM 0 H SER A 82 11.387 15.139 -2.571 1.00 0.00 H new ATOM 0 HA SER A 82 13.537 16.531 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.660 17.157 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.089 17.636 0.391 1.00 0.00 H new ATOM 0 HG SER A 82 12.370 18.422 -2.183 1.00 0.00 H new TER 1366 SER A 82