USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 764 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 20 GLN : amide:sc= 0.932 K(o=1.8,f=-7.1!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 161:sc= 0.503! (180deg=-0.687) USER MOD Set 1.3: A 90 TYR OH : rot 165:sc= 0.409 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -1.05 K(o=-2.5,f=-20!) USER MOD Set 2.2: A 49 SER OG : rot 178:sc= -1.26! USER MOD Set 2.3: A 86 SER OG : rot -79:sc= 0.577 USER MOD Set 2.4: A 91 HIS : no HD1:sc= -0.774 K(o=-2.5,f=-22!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.099 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 72:sc= -0.183 USER MOD Single : A 6 MET CE :methyl 164:sc= 0 (180deg=-0.336) USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= 0.671 (180deg=-0.689!) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0.643 (180deg=-0.213!) USER MOD Single : A 12 CYS SG : rot -96:sc= -4.09! USER MOD Single : A 13 SER OG : rot 180:sc= -0.953 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0.416 (180deg=0.109) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= 0.371 (180deg=-2.02!) USER MOD Single : A 27 GLN :FLIP amide:sc= -8.47! C(o=-12!,f=-8.5!) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0.165 (180deg=-2.43!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0.896 (180deg=0.829) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.0343! (180deg=-2.1!) USER MOD Single : A 44 SER OG : rot -160:sc= -5.98! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 139:sc= 1.11 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= 0.589 (180deg=-1.38!) USER MOD Single : A 64 MET CE :methyl 138:sc= -1.98 (180deg=-3.16!) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= -0.957 (180deg=-1.19) USER MOD Single : A 76 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.21) USER MOD Single : A 81 SER OG : rot -77:sc= -2.15! USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 0.638! (180deg=-0.838!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.361 -1.142 3.516 1.00 0.00 N ATOM 2 CA GLY A 1 -19.558 -0.121 4.174 1.00 0.00 C ATOM 3 C GLY A 1 -20.440 0.809 5.002 1.00 0.00 C ATOM 4 O GLY A 1 -21.667 0.791 4.865 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.008 -2.084 3.779 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.353 -1.048 3.813 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.296 -1.024 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.815 -0.594 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.012 0.456 3.428 1.00 0.00 H new ATOM 8 N PRO A 2 -19.855 1.623 5.845 1.00 0.00 N ATOM 9 CA PRO A 2 -20.648 2.569 6.698 1.00 0.00 C ATOM 10 C PRO A 2 -21.475 3.527 5.844 1.00 0.00 C ATOM 11 O PRO A 2 -21.002 4.002 4.800 1.00 0.00 O ATOM 12 CB PRO A 2 -19.573 3.340 7.479 1.00 0.00 C ATOM 13 CG PRO A 2 -18.384 2.437 7.479 1.00 0.00 C ATOM 14 CD PRO A 2 -18.409 1.720 6.135 1.00 0.00 C ATOM 0 HA PRO A 2 -21.360 2.051 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.346 4.294 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.903 3.561 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.462 3.005 7.603 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.433 1.725 8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.879 2.282 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.941 0.737 6.192 1.00 0.00 H new ATOM 22 N MET A 3 -22.685 3.835 6.295 1.00 0.00 N ATOM 23 CA MET A 3 -23.576 4.729 5.554 1.00 0.00 C ATOM 24 C MET A 3 -23.169 6.179 5.754 1.00 0.00 C ATOM 25 O MET A 3 -22.560 6.526 6.766 1.00 0.00 O ATOM 26 CB MET A 3 -25.028 4.539 6.002 1.00 0.00 C ATOM 27 CG MET A 3 -25.510 3.136 5.613 1.00 0.00 C ATOM 28 SD MET A 3 -27.235 2.936 6.122 1.00 0.00 S ATOM 29 CE MET A 3 -27.351 1.149 5.836 1.00 0.00 C ATOM 0 H MET A 3 -23.074 3.481 7.169 1.00 0.00 H new ATOM 0 HA MET A 3 -23.495 4.479 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 3 -25.107 4.675 7.081 1.00 0.00 H new ATOM 0 HB3 MET A 3 -25.663 5.294 5.539 1.00 0.00 H new ATOM 0 HG2 MET A 3 -25.417 2.992 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 3 -24.888 2.379 6.091 1.00 0.00 H new ATOM 0 HE1 MET A 3 -28.353 0.804 6.090 1.00 0.00 H new ATOM 0 HE2 MET A 3 -27.149 0.935 4.787 1.00 0.00 H new ATOM 0 HE3 MET A 3 -26.621 0.633 6.459 1.00 0.00 H new ATOM 39 N GLY A 4 -23.447 7.011 4.769 1.00 0.00 N ATOM 40 CA GLY A 4 -23.060 8.410 4.836 1.00 0.00 C ATOM 41 C GLY A 4 -21.586 8.550 4.535 1.00 0.00 C ATOM 42 O GLY A 4 -20.965 9.579 4.835 1.00 0.00 O ATOM 0 H GLY A 4 -23.938 6.746 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.643 8.992 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.278 8.810 5.826 1.00 0.00 H new ATOM 46 N SER A 5 -21.023 7.512 3.943 1.00 0.00 N ATOM 47 CA SER A 5 -19.625 7.502 3.586 1.00 0.00 C ATOM 48 C SER A 5 -19.479 7.497 2.076 1.00 0.00 C ATOM 49 O SER A 5 -19.876 6.533 1.406 1.00 0.00 O ATOM 50 CB SER A 5 -18.952 6.262 4.170 1.00 0.00 C ATOM 51 OG SER A 5 -19.584 5.921 5.406 1.00 0.00 O ATOM 0 H SER A 5 -21.524 6.658 3.699 1.00 0.00 H new ATOM 0 HA SER A 5 -19.148 8.395 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.025 5.430 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.891 6.451 4.331 1.00 0.00 H new ATOM 0 HG SER A 5 -20.474 5.551 5.227 1.00 0.00 H new ATOM 57 N MET A 6 -18.863 8.531 1.551 1.00 0.00 N ATOM 58 CA MET A 6 -18.596 8.618 0.128 1.00 0.00 C ATOM 59 C MET A 6 -17.181 8.160 -0.131 1.00 0.00 C ATOM 60 O MET A 6 -16.414 7.932 0.816 1.00 0.00 O ATOM 61 CB MET A 6 -18.787 10.062 -0.363 1.00 0.00 C ATOM 62 CG MET A 6 -20.208 10.243 -0.905 1.00 0.00 C ATOM 63 SD MET A 6 -21.411 9.698 0.335 1.00 0.00 S ATOM 64 CE MET A 6 -21.233 11.092 1.475 1.00 0.00 C ATOM 0 H MET A 6 -18.534 9.331 2.091 1.00 0.00 H new ATOM 0 HA MET A 6 -19.293 7.980 -0.415 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.608 10.760 0.455 1.00 0.00 H new ATOM 0 HB3 MET A 6 -18.059 10.290 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 6 -20.380 11.289 -1.157 1.00 0.00 H new ATOM 0 HG3 MET A 6 -20.333 9.669 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 6 -22.077 11.108 2.164 1.00 0.00 H new ATOM 0 HE2 MET A 6 -20.306 10.985 2.039 1.00 0.00 H new ATOM 0 HE3 MET A 6 -21.208 12.024 0.910 1.00 0.00 H new ATOM 74 N ALA A 7 -16.812 8.060 -1.392 1.00 0.00 N ATOM 75 CA ALA A 7 -15.457 7.669 -1.744 1.00 0.00 C ATOM 76 C ALA A 7 -14.470 8.765 -1.364 1.00 0.00 C ATOM 77 O ALA A 7 -13.521 9.051 -2.100 1.00 0.00 O ATOM 78 CB ALA A 7 -15.351 7.334 -3.234 1.00 0.00 C ATOM 0 H ALA A 7 -17.425 8.242 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.206 6.770 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.327 7.045 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -16.024 6.510 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.626 8.208 -3.824 1.00 0.00 H new ATOM 84 N ASP A 8 -14.675 9.342 -0.181 1.00 0.00 N ATOM 85 CA ASP A 8 -13.784 10.354 0.364 1.00 0.00 C ATOM 86 C ASP A 8 -12.445 9.719 0.555 1.00 0.00 C ATOM 87 O ASP A 8 -11.402 10.370 0.482 1.00 0.00 O ATOM 88 CB ASP A 8 -14.273 10.804 1.756 1.00 0.00 C ATOM 89 CG ASP A 8 -15.541 11.623 1.678 1.00 0.00 C ATOM 90 OD1 ASP A 8 -15.949 11.964 0.598 1.00 0.00 O ATOM 91 OD2 ASP A 8 -16.098 11.887 2.718 1.00 0.00 O ATOM 0 H ASP A 8 -15.465 9.118 0.424 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.749 11.209 -0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.447 9.927 2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.493 11.390 2.241 1.00 0.00 H new ATOM 96 N LYS A 9 -12.515 8.474 0.959 1.00 0.00 N ATOM 97 CA LYS A 9 -11.371 7.692 1.315 1.00 0.00 C ATOM 98 C LYS A 9 -10.996 6.796 0.152 1.00 0.00 C ATOM 99 O LYS A 9 -11.875 6.340 -0.586 1.00 0.00 O ATOM 100 CB LYS A 9 -11.738 6.772 2.476 1.00 0.00 C ATOM 101 CG LYS A 9 -12.266 7.555 3.683 1.00 0.00 C ATOM 102 CD LYS A 9 -11.127 8.278 4.401 1.00 0.00 C ATOM 103 CE LYS A 9 -11.520 8.483 5.870 1.00 0.00 C ATOM 104 NZ LYS A 9 -11.738 7.150 6.505 1.00 0.00 N ATOM 0 H LYS A 9 -13.397 7.969 1.049 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.552 8.361 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.494 6.058 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.862 6.195 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.012 8.278 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.764 6.875 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.208 7.695 4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.930 9.239 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.736 9.027 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.426 9.085 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.424 7.182 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.749 6.910 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.193 6.428 5.992 1.00 0.00 H new ATOM 118 N ILE A 10 -9.765 6.350 0.158 1.00 0.00 N ATOM 119 CA ILE A 10 -9.344 5.291 -0.729 1.00 0.00 C ATOM 120 C ILE A 10 -9.187 4.048 0.109 1.00 0.00 C ATOM 121 O ILE A 10 -8.536 4.085 1.155 1.00 0.00 O ATOM 122 CB ILE A 10 -7.992 5.624 -1.400 1.00 0.00 C ATOM 123 CG1 ILE A 10 -8.102 6.931 -2.191 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.599 4.493 -2.363 1.00 0.00 C ATOM 125 CD1 ILE A 10 -9.029 6.731 -3.388 1.00 0.00 C ATOM 0 H ILE A 10 -9.031 6.706 0.771 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.082 5.158 -1.520 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.235 5.732 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.486 7.724 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.115 7.246 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.645 4.731 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.507 3.559 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.366 4.385 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.105 7.663 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.626 5.951 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.018 6.437 -3.037 1.00 0.00 H new ATOM 137 N LYS A 11 -9.791 2.957 -0.327 1.00 0.00 N ATOM 138 CA LYS A 11 -9.639 1.712 0.387 1.00 0.00 C ATOM 139 C LYS A 11 -8.419 1.024 -0.155 1.00 0.00 C ATOM 140 O LYS A 11 -8.418 0.565 -1.296 1.00 0.00 O ATOM 141 CB LYS A 11 -10.864 0.807 0.194 1.00 0.00 C ATOM 142 CG LYS A 11 -12.095 1.430 0.856 1.00 0.00 C ATOM 143 CD LYS A 11 -13.326 0.568 0.549 1.00 0.00 C ATOM 144 CE LYS A 11 -13.313 -0.696 1.438 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.588 -1.430 1.284 1.00 0.00 N ATOM 0 H LYS A 11 -10.381 2.911 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.540 1.913 1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.051 0.658 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.670 -0.176 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.946 1.501 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.246 2.445 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.236 1.140 0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.330 0.284 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.477 -1.338 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.167 -0.416 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.654 -2.168 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.384 -0.769 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.624 -1.870 0.342 1.00 0.00 H new ATOM 159 N CYS A 12 -7.352 1.037 0.612 1.00 0.00 N ATOM 160 CA CYS A 12 -6.098 0.464 0.152 1.00 0.00 C ATOM 161 C CYS A 12 -5.304 -0.132 1.290 1.00 0.00 C ATOM 162 O CYS A 12 -5.554 0.163 2.470 1.00 0.00 O ATOM 163 CB CYS A 12 -5.258 1.508 -0.612 1.00 0.00 C ATOM 164 SG CYS A 12 -3.674 1.788 0.228 1.00 0.00 S ATOM 0 H CYS A 12 -7.322 1.434 1.551 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.346 -0.345 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.080 1.165 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.809 2.446 -0.683 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.772 2.826 1.005 1.00 0.00 H new ATOM 170 N SER A 13 -4.321 -0.925 0.926 1.00 0.00 N ATOM 171 CA SER A 13 -3.410 -1.518 1.870 1.00 0.00 C ATOM 172 C SER A 13 -1.985 -1.303 1.376 1.00 0.00 C ATOM 173 O SER A 13 -1.753 -1.276 0.157 1.00 0.00 O ATOM 174 CB SER A 13 -3.716 -3.007 2.016 1.00 0.00 C ATOM 175 OG SER A 13 -5.120 -3.184 2.190 1.00 0.00 O ATOM 0 H SER A 13 -4.133 -1.177 -0.044 1.00 0.00 H new ATOM 0 HA SER A 13 -3.523 -1.051 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.376 -3.548 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.177 -3.419 2.869 1.00 0.00 H new ATOM 0 HG SER A 13 -5.320 -4.139 2.283 1.00 0.00 H new ATOM 181 N HIS A 14 -1.034 -1.143 2.294 1.00 0.00 N ATOM 182 CA HIS A 14 0.348 -0.913 1.885 1.00 0.00 C ATOM 183 C HIS A 14 1.344 -1.758 2.658 1.00 0.00 C ATOM 184 O HIS A 14 1.137 -2.083 3.831 1.00 0.00 O ATOM 185 CB HIS A 14 0.716 0.589 1.926 1.00 0.00 C ATOM 186 CG HIS A 14 1.542 0.937 3.150 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.734 1.655 3.060 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.352 0.695 4.488 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.207 1.808 4.313 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.401 1.243 5.219 1.00 0.00 N ATOM 0 H HIS A 14 -1.189 -1.167 3.302 1.00 0.00 H new ATOM 0 HA HIS A 14 0.415 -1.239 0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.273 0.851 1.026 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.196 1.186 1.922 1.00 0.00 H new ATOM 0 HD1 HIS A 14 3.168 2.001 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.514 0.160 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.124 2.324 4.556 1.00 0.00 H new ATOM 198 N ILE A 15 2.430 -2.074 1.986 1.00 0.00 N ATOM 199 CA ILE A 15 3.533 -2.828 2.545 1.00 0.00 C ATOM 200 C ILE A 15 4.811 -2.022 2.340 1.00 0.00 C ATOM 201 O ILE A 15 5.058 -1.526 1.242 1.00 0.00 O ATOM 202 CB ILE A 15 3.622 -4.191 1.834 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.344 -4.985 2.104 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.822 -4.991 2.344 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.305 -6.227 1.212 1.00 0.00 C ATOM 0 H ILE A 15 2.575 -1.808 1.012 1.00 0.00 H new ATOM 0 HA ILE A 15 3.387 -3.006 3.610 1.00 0.00 H new ATOM 0 HB ILE A 15 3.742 -4.018 0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.302 -5.278 3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.471 -4.361 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.866 -5.950 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.739 -4.434 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.718 -5.160 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.392 -6.788 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.325 -5.924 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.170 -6.855 1.425 1.00 0.00 H new ATOM 217 N LEU A 16 5.572 -1.823 3.404 1.00 0.00 N ATOM 218 CA LEU A 16 6.775 -0.998 3.319 1.00 0.00 C ATOM 219 C LEU A 16 8.012 -1.862 3.206 1.00 0.00 C ATOM 220 O LEU A 16 8.251 -2.735 4.055 1.00 0.00 O ATOM 221 CB LEU A 16 6.890 -0.077 4.548 1.00 0.00 C ATOM 222 CG LEU A 16 8.095 0.874 4.386 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.883 1.802 3.183 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.255 1.723 5.650 1.00 0.00 C ATOM 0 H LEU A 16 5.385 -2.214 4.327 1.00 0.00 H new ATOM 0 HA LEU A 16 6.696 -0.382 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.974 0.501 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.008 -0.676 5.451 1.00 0.00 H new ATOM 0 HG LEU A 16 8.992 0.276 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.741 2.467 3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.777 1.205 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.981 2.394 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.106 2.393 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.351 2.310 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.422 1.071 6.507 1.00 0.00 H new ATOM 236 N VAL A 17 8.828 -1.569 2.206 1.00 0.00 N ATOM 237 CA VAL A 17 10.080 -2.265 1.987 1.00 0.00 C ATOM 238 C VAL A 17 11.230 -1.286 1.862 1.00 0.00 C ATOM 239 O VAL A 17 11.053 -0.131 1.446 1.00 0.00 O ATOM 240 CB VAL A 17 10.013 -3.156 0.735 1.00 0.00 C ATOM 241 CG1 VAL A 17 9.081 -4.330 0.983 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.487 -2.358 -0.454 1.00 0.00 C ATOM 0 H VAL A 17 8.637 -0.837 1.521 1.00 0.00 H new ATOM 0 HA VAL A 17 10.253 -2.902 2.855 1.00 0.00 H new ATOM 0 HB VAL A 17 11.018 -3.518 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.039 -4.956 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.452 -4.918 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.082 -3.959 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.445 -3.001 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.488 -1.985 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.152 -1.517 -0.651 1.00 0.00 H new ATOM 252 N LYS A 18 12.410 -1.769 2.159 1.00 0.00 N ATOM 253 CA LYS A 18 13.614 -0.983 2.018 1.00 0.00 C ATOM 254 C LYS A 18 14.150 -1.020 0.596 1.00 0.00 C ATOM 255 O LYS A 18 14.927 -0.141 0.198 1.00 0.00 O ATOM 256 CB LYS A 18 14.686 -1.360 3.070 1.00 0.00 C ATOM 257 CG LYS A 18 14.783 -2.888 3.248 1.00 0.00 C ATOM 258 CD LYS A 18 15.779 -3.212 4.365 1.00 0.00 C ATOM 259 CE LYS A 18 15.659 -4.695 4.754 1.00 0.00 C ATOM 260 NZ LYS A 18 15.973 -5.552 3.584 1.00 0.00 N ATOM 0 H LYS A 18 12.565 -2.716 2.505 1.00 0.00 H new ATOM 0 HA LYS A 18 13.344 0.053 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.655 -0.965 2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.441 -0.895 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.803 -3.299 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.102 -3.353 2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.794 -2.994 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.584 -2.582 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.340 -4.921 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.651 -4.906 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.056 -6.542 3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.212 -5.471 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.871 -5.244 3.160 1.00 0.00 H new ATOM 274 N LYS A 19 13.778 -2.053 -0.164 1.00 0.00 N ATOM 275 CA LYS A 19 14.258 -2.182 -1.543 1.00 0.00 C ATOM 276 C LYS A 19 13.157 -2.574 -2.538 1.00 0.00 C ATOM 277 O LYS A 19 12.150 -3.186 -2.181 1.00 0.00 O ATOM 278 CB LYS A 19 15.472 -3.116 -1.629 1.00 0.00 C ATOM 279 CG LYS A 19 16.653 -2.493 -0.860 1.00 0.00 C ATOM 280 CD LYS A 19 17.177 -1.243 -1.613 1.00 0.00 C ATOM 281 CE LYS A 19 18.083 -0.425 -0.689 1.00 0.00 C ATOM 282 NZ LYS A 19 17.301 0.010 0.499 1.00 0.00 N ATOM 0 H LYS A 19 13.157 -2.801 0.145 1.00 0.00 H new ATOM 0 HA LYS A 19 14.583 -1.187 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.225 -4.091 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.747 -3.278 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.337 -2.216 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.454 -3.225 -0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.729 -1.547 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.340 -0.632 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.940 -1.022 -0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.476 0.443 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.469 1.021 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.288 -0.148 0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.599 -0.539 1.331 1.00 0.00 H new ATOM 296 N GLN A 20 13.353 -2.168 -3.784 1.00 0.00 N ATOM 297 CA GLN A 20 12.384 -2.409 -4.849 1.00 0.00 C ATOM 298 C GLN A 20 12.200 -3.897 -5.089 1.00 0.00 C ATOM 299 O GLN A 20 11.084 -4.360 -5.327 1.00 0.00 O ATOM 300 CB GLN A 20 12.851 -1.721 -6.130 1.00 0.00 C ATOM 301 CG GLN A 20 13.051 -0.224 -5.846 1.00 0.00 C ATOM 302 CD GLN A 20 14.527 0.059 -5.615 1.00 0.00 C ATOM 303 OE1 GLN A 20 15.228 -0.770 -5.021 1.00 0.00 O ATOM 304 NE2 GLN A 20 15.043 1.169 -6.030 1.00 0.00 N ATOM 0 H GLN A 20 14.186 -1.663 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 20 11.422 -1.996 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.783 -2.166 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.115 -1.859 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.684 0.368 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.473 0.071 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.462 1.850 -6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.031 1.364 -5.868 1.00 0.00 H new ATOM 313 N GLY A 21 13.284 -4.647 -5.002 1.00 0.00 N ATOM 314 CA GLY A 21 13.215 -6.087 -5.187 1.00 0.00 C ATOM 315 C GLY A 21 12.302 -6.694 -4.145 1.00 0.00 C ATOM 316 O GLY A 21 11.505 -7.591 -4.443 1.00 0.00 O ATOM 0 H GLY A 21 14.218 -4.287 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.845 -6.317 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.212 -6.521 -5.108 1.00 0.00 H new ATOM 320 N GLU A 22 12.350 -6.144 -2.946 1.00 0.00 N ATOM 321 CA GLU A 22 11.464 -6.575 -1.888 1.00 0.00 C ATOM 322 C GLU A 22 10.037 -6.228 -2.279 1.00 0.00 C ATOM 323 O GLU A 22 9.121 -7.054 -2.173 1.00 0.00 O ATOM 324 CB GLU A 22 11.820 -5.833 -0.603 1.00 0.00 C ATOM 325 CG GLU A 22 13.201 -6.266 -0.105 1.00 0.00 C ATOM 326 CD GLU A 22 13.638 -5.412 1.082 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.875 -4.569 1.522 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.733 -5.611 1.538 1.00 0.00 O ATOM 0 H GLU A 22 12.994 -5.398 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 22 11.562 -7.649 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.811 -4.758 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.070 -6.036 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.175 -7.316 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.929 -6.176 -0.912 1.00 0.00 H new ATOM 335 N ALA A 23 9.864 -5.011 -2.792 1.00 0.00 N ATOM 336 CA ALA A 23 8.553 -4.566 -3.237 1.00 0.00 C ATOM 337 C ALA A 23 8.019 -5.497 -4.312 1.00 0.00 C ATOM 338 O ALA A 23 6.887 -5.965 -4.235 1.00 0.00 O ATOM 339 CB ALA A 23 8.612 -3.133 -3.778 1.00 0.00 C ATOM 0 H ALA A 23 10.610 -4.325 -2.907 1.00 0.00 H new ATOM 0 HA ALA A 23 7.883 -4.584 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.618 -2.826 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.960 -2.462 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.300 -3.091 -4.623 1.00 0.00 H new ATOM 345 N LEU A 24 8.836 -5.785 -5.306 1.00 0.00 N ATOM 346 CA LEU A 24 8.404 -6.675 -6.366 1.00 0.00 C ATOM 347 C LEU A 24 8.137 -8.055 -5.828 1.00 0.00 C ATOM 348 O LEU A 24 7.190 -8.714 -6.237 1.00 0.00 O ATOM 349 CB LEU A 24 9.409 -6.753 -7.513 1.00 0.00 C ATOM 350 CG LEU A 24 9.489 -5.409 -8.248 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.304 -5.587 -9.508 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.096 -4.913 -8.625 1.00 0.00 C ATOM 0 H LEU A 24 9.785 -5.424 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 24 7.481 -6.255 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.392 -7.022 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.115 -7.538 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 24 9.955 -4.676 -7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.367 -4.637 -10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.307 -5.924 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.827 -6.329 -10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.178 -3.959 -9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.615 -5.642 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.499 -4.784 -7.722 1.00 0.00 H new ATOM 364 N ALA A 25 8.992 -8.515 -4.935 1.00 0.00 N ATOM 365 CA ALA A 25 8.841 -9.853 -4.396 1.00 0.00 C ATOM 366 C ALA A 25 7.465 -10.019 -3.781 1.00 0.00 C ATOM 367 O ALA A 25 6.740 -10.973 -4.108 1.00 0.00 O ATOM 368 CB ALA A 25 9.928 -10.156 -3.364 1.00 0.00 C ATOM 0 H ALA A 25 9.788 -7.991 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 25 8.948 -10.564 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.791 -11.165 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.908 -10.078 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.861 -9.440 -2.544 1.00 0.00 H new ATOM 374 N VAL A 26 7.068 -9.060 -2.950 1.00 0.00 N ATOM 375 CA VAL A 26 5.740 -9.101 -2.364 1.00 0.00 C ATOM 376 C VAL A 26 4.681 -8.954 -3.448 1.00 0.00 C ATOM 377 O VAL A 26 3.669 -9.645 -3.431 1.00 0.00 O ATOM 378 CB VAL A 26 5.565 -8.045 -1.253 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.654 -8.227 -0.198 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.664 -6.629 -1.823 1.00 0.00 C ATOM 0 H VAL A 26 7.638 -8.260 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 26 5.613 -10.074 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 26 4.579 -8.180 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.529 -7.480 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.578 -9.224 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.633 -8.106 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.537 -5.904 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.641 -6.491 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.884 -6.482 -2.570 1.00 0.00 H new ATOM 390 N GLN A 27 4.946 -8.084 -4.415 1.00 0.00 N ATOM 391 CA GLN A 27 4.023 -7.868 -5.525 1.00 0.00 C ATOM 392 C GLN A 27 3.803 -9.147 -6.308 1.00 0.00 C ATOM 393 O GLN A 27 2.666 -9.544 -6.542 1.00 0.00 O ATOM 394 CB GLN A 27 4.572 -6.765 -6.441 1.00 0.00 C ATOM 395 CG GLN A 27 4.417 -5.419 -5.737 1.00 0.00 C ATOM 396 CD GLN A 27 5.061 -4.309 -6.540 1.00 0.00 C ATOM 397 OE1 GLN A 27 5.150 -3.131 -6.023 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 5.481 -4.519 -7.676 1.00 0.00 N flip ATOM 0 H GLN A 27 5.792 -7.516 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 27 3.059 -7.556 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.621 -6.952 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.034 -6.759 -7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.359 -5.201 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.872 -5.468 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.409 -5.452 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.901 -3.760 -8.213 1.00 0.00 H new ATOM 407 N GLU A 28 4.885 -9.830 -6.632 1.00 0.00 N ATOM 408 CA GLU A 28 4.811 -11.097 -7.337 1.00 0.00 C ATOM 409 C GLU A 28 4.200 -12.168 -6.457 1.00 0.00 C ATOM 410 O GLU A 28 3.376 -12.965 -6.904 1.00 0.00 O ATOM 411 CB GLU A 28 6.199 -11.520 -7.808 1.00 0.00 C ATOM 412 CG GLU A 28 6.659 -10.563 -8.910 1.00 0.00 C ATOM 413 CD GLU A 28 8.051 -10.901 -9.401 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.651 -11.803 -8.868 1.00 0.00 O ATOM 415 OE2 GLU A 28 8.485 -10.268 -10.327 1.00 0.00 O ATOM 0 H GLU A 28 5.834 -9.525 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 28 4.170 -10.969 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.902 -11.502 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.175 -12.543 -8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.959 -10.605 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.644 -9.540 -8.533 1.00 0.00 H new ATOM 422 N ARG A 29 4.588 -12.174 -5.200 1.00 0.00 N ATOM 423 CA ARG A 29 4.042 -13.124 -4.246 1.00 0.00 C ATOM 424 C ARG A 29 2.550 -12.912 -4.071 1.00 0.00 C ATOM 425 O ARG A 29 1.788 -13.865 -3.936 1.00 0.00 O ATOM 426 CB ARG A 29 4.763 -13.046 -2.904 1.00 0.00 C ATOM 427 CG ARG A 29 4.191 -14.111 -1.961 1.00 0.00 C ATOM 428 CD ARG A 29 4.932 -14.065 -0.638 1.00 0.00 C ATOM 429 NE ARG A 29 4.296 -14.944 0.326 1.00 0.00 N ATOM 430 CZ ARG A 29 4.533 -14.832 1.624 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.438 -14.003 2.051 1.00 0.00 N ATOM 432 NH2 ARG A 29 3.872 -15.555 2.473 1.00 0.00 N ATOM 0 H ARG A 29 5.280 -11.533 -4.812 1.00 0.00 H new ATOM 0 HA ARG A 29 4.202 -14.125 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.833 -13.203 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.640 -12.054 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.127 -13.936 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.288 -15.099 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.970 -14.364 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.945 -13.044 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 29 3.653 -15.664 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.966 -13.438 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.620 -13.917 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.166 -16.213 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.057 -15.466 3.472 1.00 0.00 H new ATOM 446 N LEU A 30 2.139 -11.660 -4.065 1.00 0.00 N ATOM 447 CA LEU A 30 0.750 -11.309 -3.857 1.00 0.00 C ATOM 448 C LEU A 30 -0.070 -12.013 -4.920 1.00 0.00 C ATOM 449 O LEU A 30 -1.166 -12.518 -4.665 1.00 0.00 O ATOM 450 CB LEU A 30 0.586 -9.776 -3.993 1.00 0.00 C ATOM 451 CG LEU A 30 -0.597 -9.256 -3.151 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.849 -10.090 -3.401 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.236 -9.302 -1.661 1.00 0.00 C ATOM 0 H LEU A 30 2.757 -10.860 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 30 0.417 -11.611 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.504 -9.282 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.430 -9.517 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.801 -8.227 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.670 -9.704 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.118 -10.035 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.655 -11.128 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.076 -8.933 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.013 -10.329 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.638 -8.676 -1.479 1.00 0.00 H new ATOM 465 N LYS A 31 0.509 -12.112 -6.095 1.00 0.00 N ATOM 466 CA LYS A 31 -0.131 -12.776 -7.208 1.00 0.00 C ATOM 467 C LYS A 31 -0.384 -14.248 -6.869 1.00 0.00 C ATOM 468 O LYS A 31 -1.306 -14.866 -7.406 1.00 0.00 O ATOM 469 CB LYS A 31 0.743 -12.687 -8.467 1.00 0.00 C ATOM 470 CG LYS A 31 1.166 -11.230 -8.734 1.00 0.00 C ATOM 471 CD LYS A 31 -0.061 -10.313 -8.847 1.00 0.00 C ATOM 472 CE LYS A 31 0.335 -9.010 -9.559 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.878 -8.318 -10.057 1.00 0.00 N ATOM 0 H LYS A 31 1.433 -11.736 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.081 -12.278 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.628 -13.312 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.194 -13.075 -9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.812 -10.882 -7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.748 -11.179 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.854 -10.816 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.456 -10.092 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.878 -8.361 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.006 -9.229 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.663 -7.846 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.639 -9.012 -10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.184 -7.610 -9.360 1.00 0.00 H new ATOM 487 N ALA A 32 0.459 -14.818 -6.006 1.00 0.00 N ATOM 488 CA ALA A 32 0.339 -16.226 -5.619 1.00 0.00 C ATOM 489 C ALA A 32 -1.025 -16.508 -5.017 1.00 0.00 C ATOM 490 O ALA A 32 -1.463 -17.663 -4.947 1.00 0.00 O ATOM 491 CB ALA A 32 1.435 -16.620 -4.627 1.00 0.00 C ATOM 0 H ALA A 32 1.234 -14.326 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 32 0.455 -16.825 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.321 -17.670 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.412 -16.467 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.353 -16.004 -3.731 1.00 0.00 H new ATOM 497 N GLY A 33 -1.670 -15.466 -4.529 1.00 0.00 N ATOM 498 CA GLY A 33 -2.969 -15.610 -3.889 1.00 0.00 C ATOM 499 C GLY A 33 -2.842 -15.509 -2.385 1.00 0.00 C ATOM 500 O GLY A 33 -3.819 -15.699 -1.656 1.00 0.00 O ATOM 0 H GLY A 33 -1.318 -14.509 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.647 -14.838 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.407 -16.571 -4.158 1.00 0.00 H new ATOM 504 N GLU A 34 -1.647 -15.167 -1.912 1.00 0.00 N ATOM 505 CA GLU A 34 -1.439 -14.981 -0.492 1.00 0.00 C ATOM 506 C GLU A 34 -2.024 -13.651 -0.047 1.00 0.00 C ATOM 507 O GLU A 34 -2.257 -12.755 -0.868 1.00 0.00 O ATOM 508 CB GLU A 34 0.045 -15.075 -0.111 1.00 0.00 C ATOM 509 CG GLU A 34 0.553 -16.492 -0.388 1.00 0.00 C ATOM 510 CD GLU A 34 1.866 -16.725 0.332 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.866 -16.750 1.545 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.860 -16.884 -0.326 1.00 0.00 O ATOM 0 H GLU A 34 -0.820 -15.016 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.955 -15.789 0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.625 -14.351 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.177 -14.829 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.186 -17.222 -0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.687 -16.636 -1.460 1.00 0.00 H new ATOM 519 N LYS A 35 -2.338 -13.555 1.227 1.00 0.00 N ATOM 520 CA LYS A 35 -2.973 -12.368 1.759 1.00 0.00 C ATOM 521 C LYS A 35 -2.029 -11.202 1.844 1.00 0.00 C ATOM 522 O LYS A 35 -0.867 -11.334 2.249 1.00 0.00 O ATOM 523 CB LYS A 35 -3.605 -12.649 3.116 1.00 0.00 C ATOM 524 CG LYS A 35 -4.833 -13.522 2.892 1.00 0.00 C ATOM 525 CD LYS A 35 -5.483 -13.894 4.227 1.00 0.00 C ATOM 526 CE LYS A 35 -4.608 -14.923 4.959 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.312 -16.225 5.025 1.00 0.00 N ATOM 0 H LYS A 35 -2.163 -14.287 1.916 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.761 -12.092 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.894 -13.153 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.885 -11.717 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.552 -12.993 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.549 -14.427 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.607 -13.003 4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.478 -14.304 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.657 -15.040 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.381 -14.571 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.715 -16.917 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.209 -16.109 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.507 -16.564 4.061 1.00 0.00 H new ATOM 541 N PHE A 36 -2.564 -10.050 1.535 1.00 0.00 N ATOM 542 CA PHE A 36 -1.829 -8.818 1.583 1.00 0.00 C ATOM 543 C PHE A 36 -1.308 -8.636 2.988 1.00 0.00 C ATOM 544 O PHE A 36 -0.140 -8.327 3.198 1.00 0.00 O ATOM 545 CB PHE A 36 -2.768 -7.666 1.226 1.00 0.00 C ATOM 546 CG PHE A 36 -1.967 -6.405 1.006 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.463 -6.122 -0.269 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.724 -5.525 2.066 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.719 -4.961 -0.485 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.978 -4.362 1.848 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.477 -4.081 0.570 1.00 0.00 C ATOM 0 H PHE A 36 -3.534 -9.942 1.240 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.998 -8.835 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.333 -7.911 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.492 -7.513 2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.650 -6.803 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.111 -5.743 3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.331 -4.744 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.788 -3.681 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.097 -3.182 0.401 1.00 0.00 H new ATOM 561 N GLY A 37 -2.180 -8.889 3.951 1.00 0.00 N ATOM 562 CA GLY A 37 -1.821 -8.793 5.350 1.00 0.00 C ATOM 563 C GLY A 37 -0.714 -9.764 5.703 1.00 0.00 C ATOM 564 O GLY A 37 0.163 -9.447 6.509 1.00 0.00 O ATOM 0 H GLY A 37 -3.148 -9.164 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.501 -7.776 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.696 -8.997 5.967 1.00 0.00 H new ATOM 568 N LYS A 38 -0.744 -10.943 5.100 1.00 0.00 N ATOM 569 CA LYS A 38 0.281 -11.940 5.357 1.00 0.00 C ATOM 570 C LYS A 38 1.631 -11.378 4.935 1.00 0.00 C ATOM 571 O LYS A 38 2.568 -11.315 5.732 1.00 0.00 O ATOM 572 CB LYS A 38 -0.037 -13.215 4.570 1.00 0.00 C ATOM 573 CG LYS A 38 0.959 -14.328 4.916 1.00 0.00 C ATOM 574 CD LYS A 38 0.603 -15.584 4.112 1.00 0.00 C ATOM 575 CE LYS A 38 1.573 -16.727 4.456 1.00 0.00 C ATOM 576 NZ LYS A 38 1.239 -17.911 3.632 1.00 0.00 N ATOM 0 H LYS A 38 -1.462 -11.230 4.434 1.00 0.00 H new ATOM 0 HA LYS A 38 0.310 -12.185 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.051 -13.544 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.000 -13.007 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.975 -14.009 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.927 -14.543 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.421 -15.887 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.649 -15.367 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.601 -16.417 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.502 -16.974 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.933 -18.665 3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.288 -18.250 3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.262 -17.651 2.625 1.00 0.00 H new ATOM 590 N LEU A 39 1.666 -10.818 3.735 1.00 0.00 N ATOM 591 CA LEU A 39 2.853 -10.122 3.254 1.00 0.00 C ATOM 592 C LEU A 39 3.153 -8.940 4.143 1.00 0.00 C ATOM 593 O LEU A 39 4.315 -8.643 4.435 1.00 0.00 O ATOM 594 CB LEU A 39 2.647 -9.617 1.813 1.00 0.00 C ATOM 595 CG LEU A 39 2.983 -10.712 0.792 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.486 -10.981 0.815 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.215 -12.003 1.109 1.00 0.00 C ATOM 0 H LEU A 39 0.888 -10.831 3.076 1.00 0.00 H new ATOM 0 HA LEU A 39 3.685 -10.826 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.614 -9.296 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.276 -8.745 1.636 1.00 0.00 H new ATOM 0 HG LEU A 39 2.686 -10.372 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.728 -11.759 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.023 -10.068 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.782 -11.309 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.467 -12.767 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.488 -12.354 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.143 -11.807 1.075 1.00 0.00 H new ATOM 609 N ALA A 40 2.113 -8.232 4.522 1.00 0.00 N ATOM 610 CA ALA A 40 2.273 -7.042 5.316 1.00 0.00 C ATOM 611 C ALA A 40 2.969 -7.372 6.612 1.00 0.00 C ATOM 612 O ALA A 40 3.975 -6.749 6.967 1.00 0.00 O ATOM 613 CB ALA A 40 0.923 -6.384 5.598 1.00 0.00 C ATOM 0 H ALA A 40 1.147 -8.463 4.291 1.00 0.00 H new ATOM 0 HA ALA A 40 2.884 -6.337 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.074 -5.488 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.446 -6.113 4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.284 -7.081 6.140 1.00 0.00 H new ATOM 619 N LYS A 41 2.466 -8.379 7.295 1.00 0.00 N ATOM 620 CA LYS A 41 3.064 -8.827 8.537 1.00 0.00 C ATOM 621 C LYS A 41 4.447 -9.409 8.287 1.00 0.00 C ATOM 622 O LYS A 41 5.352 -9.282 9.117 1.00 0.00 O ATOM 623 CB LYS A 41 2.186 -9.881 9.217 1.00 0.00 C ATOM 624 CG LYS A 41 2.771 -10.192 10.602 1.00 0.00 C ATOM 625 CD LYS A 41 3.064 -11.694 10.737 1.00 0.00 C ATOM 626 CE LYS A 41 4.564 -11.970 10.514 1.00 0.00 C ATOM 627 NZ LYS A 41 5.387 -10.825 11.022 1.00 0.00 N ATOM 0 H LYS A 41 1.640 -8.906 7.010 1.00 0.00 H new ATOM 0 HA LYS A 41 3.151 -7.961 9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.163 -9.516 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.146 -10.787 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.688 -9.622 10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.071 -9.881 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.767 -12.042 11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.473 -12.253 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.851 -12.888 11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.758 -12.123 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.335 -11.166 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.469 -10.100 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.929 -10.413 11.860 1.00 0.00 H new ATOM 641 N GLU A 42 4.554 -10.204 7.240 1.00 0.00 N ATOM 642 CA GLU A 42 5.782 -10.932 6.969 1.00 0.00 C ATOM 643 C GLU A 42 6.922 -10.039 6.505 1.00 0.00 C ATOM 644 O GLU A 42 8.077 -10.264 6.873 1.00 0.00 O ATOM 645 CB GLU A 42 5.539 -12.023 5.924 1.00 0.00 C ATOM 646 CG GLU A 42 4.779 -13.206 6.540 1.00 0.00 C ATOM 647 CD GLU A 42 4.561 -14.295 5.499 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.137 -14.206 4.439 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.833 -15.211 5.777 1.00 0.00 O ATOM 0 H GLU A 42 3.808 -10.363 6.563 1.00 0.00 H new ATOM 0 HA GLU A 42 6.083 -11.376 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.970 -11.614 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.492 -12.367 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.340 -13.607 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.818 -12.867 6.928 1.00 0.00 H new ATOM 656 N LEU A 43 6.638 -9.142 5.588 1.00 0.00 N ATOM 657 CA LEU A 43 7.692 -8.401 4.925 1.00 0.00 C ATOM 658 C LEU A 43 7.773 -6.933 5.366 1.00 0.00 C ATOM 659 O LEU A 43 8.869 -6.374 5.455 1.00 0.00 O ATOM 660 CB LEU A 43 7.526 -8.559 3.389 1.00 0.00 C ATOM 661 CG LEU A 43 8.321 -7.509 2.605 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.633 -6.158 2.729 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.774 -7.429 3.100 1.00 0.00 C ATOM 0 H LEU A 43 5.693 -8.907 5.284 1.00 0.00 H new ATOM 0 HA LEU A 43 8.651 -8.822 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.853 -9.555 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.470 -8.479 3.130 1.00 0.00 H new ATOM 0 HG LEU A 43 8.350 -7.802 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.197 -5.410 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.623 -6.226 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.585 -5.869 3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.313 -6.676 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.784 -7.156 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.256 -8.398 2.971 1.00 0.00 H new ATOM 675 N SER A 44 6.636 -6.285 5.571 1.00 0.00 N ATOM 676 CA SER A 44 6.653 -4.841 5.837 1.00 0.00 C ATOM 677 C SER A 44 7.588 -4.482 6.981 1.00 0.00 C ATOM 678 O SER A 44 7.543 -5.098 8.057 1.00 0.00 O ATOM 679 CB SER A 44 5.260 -4.329 6.169 1.00 0.00 C ATOM 680 OG SER A 44 4.331 -4.937 5.310 1.00 0.00 O ATOM 0 H SER A 44 5.711 -6.714 5.561 1.00 0.00 H new ATOM 0 HA SER A 44 7.014 -4.367 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.015 -4.553 7.207 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.221 -3.245 6.059 1.00 0.00 H new ATOM 0 HG SER A 44 3.508 -4.405 5.288 1.00 0.00 H new ATOM 686 N ILE A 45 8.318 -3.393 6.795 1.00 0.00 N ATOM 687 CA ILE A 45 9.158 -2.848 7.842 1.00 0.00 C ATOM 688 C ILE A 45 8.368 -1.813 8.638 1.00 0.00 C ATOM 689 O ILE A 45 8.827 -1.302 9.662 1.00 0.00 O ATOM 690 CB ILE A 45 10.441 -2.244 7.242 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.093 -1.112 6.268 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.211 -3.329 6.481 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.380 -0.448 5.778 1.00 0.00 C ATOM 0 H ILE A 45 8.343 -2.868 5.921 1.00 0.00 H new ATOM 0 HA ILE A 45 9.461 -3.645 8.520 1.00 0.00 H new ATOM 0 HB ILE A 45 11.051 -1.848 8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.530 -1.506 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.456 -0.377 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.119 -2.901 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.475 -4.135 7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.587 -3.724 5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.133 0.357 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.926 -0.040 6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.000 -1.187 5.270 1.00 0.00 H new ATOM 705 N ASP A 46 7.146 -1.549 8.168 1.00 0.00 N ATOM 706 CA ASP A 46 6.217 -0.637 8.830 1.00 0.00 C ATOM 707 C ASP A 46 5.347 -1.416 9.809 1.00 0.00 C ATOM 708 O ASP A 46 4.398 -2.102 9.406 1.00 0.00 O ATOM 709 CB ASP A 46 5.326 0.041 7.775 1.00 0.00 C ATOM 710 CG ASP A 46 4.382 1.058 8.402 1.00 0.00 C ATOM 711 OD1 ASP A 46 4.203 1.040 9.600 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.837 1.846 7.661 1.00 0.00 O ATOM 0 H ASP A 46 6.774 -1.965 7.314 1.00 0.00 H new ATOM 0 HA ASP A 46 6.779 0.123 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.953 0.536 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.746 -0.717 7.248 1.00 0.00 H new ATOM 717 N GLY A 47 5.691 -1.336 11.079 1.00 0.00 N ATOM 718 CA GLY A 47 4.973 -2.062 12.116 1.00 0.00 C ATOM 719 C GLY A 47 3.557 -1.555 12.261 1.00 0.00 C ATOM 720 O GLY A 47 2.612 -2.337 12.331 1.00 0.00 O ATOM 0 H GLY A 47 6.468 -0.772 11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.958 -3.125 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.498 -1.958 13.066 1.00 0.00 H new ATOM 724 N GLY A 48 3.395 -0.240 12.253 1.00 0.00 N ATOM 725 CA GLY A 48 2.074 0.355 12.406 1.00 0.00 C ATOM 726 C GLY A 48 1.147 -0.168 11.339 1.00 0.00 C ATOM 727 O GLY A 48 0.044 -0.651 11.632 1.00 0.00 O ATOM 0 H GLY A 48 4.155 0.432 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.674 0.123 13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.145 1.441 12.338 1.00 0.00 H new ATOM 731 N SER A 49 1.642 -0.201 10.119 1.00 0.00 N ATOM 732 CA SER A 49 0.899 -0.799 9.029 1.00 0.00 C ATOM 733 C SER A 49 0.710 -2.295 9.277 1.00 0.00 C ATOM 734 O SER A 49 -0.322 -2.867 8.934 1.00 0.00 O ATOM 735 CB SER A 49 1.612 -0.557 7.706 1.00 0.00 C ATOM 736 OG SER A 49 1.632 0.849 7.445 1.00 0.00 O ATOM 0 H SER A 49 2.552 0.178 9.858 1.00 0.00 H new ATOM 0 HA SER A 49 -0.085 -0.332 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.629 -0.948 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.101 -1.084 6.900 1.00 0.00 H new ATOM 0 HG SER A 49 2.123 1.021 6.614 1.00 0.00 H new ATOM 742 N ALA A 50 1.700 -2.911 9.913 1.00 0.00 N ATOM 743 CA ALA A 50 1.644 -4.330 10.237 1.00 0.00 C ATOM 744 C ALA A 50 0.523 -4.610 11.218 1.00 0.00 C ATOM 745 O ALA A 50 -0.119 -5.661 11.161 1.00 0.00 O ATOM 746 CB ALA A 50 2.980 -4.818 10.809 1.00 0.00 C ATOM 0 H ALA A 50 2.556 -2.446 10.216 1.00 0.00 H new ATOM 0 HA ALA A 50 1.447 -4.875 9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.910 -5.880 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.770 -4.659 10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.212 -4.262 11.717 1.00 0.00 H new ATOM 752 N LYS A 51 0.294 -3.673 12.128 1.00 0.00 N ATOM 753 CA LYS A 51 -0.738 -3.843 13.144 1.00 0.00 C ATOM 754 C LYS A 51 -2.078 -3.964 12.446 1.00 0.00 C ATOM 755 O LYS A 51 -2.929 -4.778 12.817 1.00 0.00 O ATOM 756 CB LYS A 51 -0.771 -2.645 14.103 1.00 0.00 C ATOM 757 CG LYS A 51 0.607 -2.442 14.759 1.00 0.00 C ATOM 758 CD LYS A 51 1.049 -3.697 15.516 1.00 0.00 C ATOM 759 CE LYS A 51 2.433 -3.438 16.133 1.00 0.00 C ATOM 760 NZ LYS A 51 2.909 -4.657 16.827 1.00 0.00 N ATOM 0 H LYS A 51 0.805 -2.792 12.185 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.521 -4.738 13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.058 -1.745 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.526 -2.808 14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.344 -2.197 13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.565 -1.596 15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.328 -3.942 16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.090 -4.551 14.840 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.140 -3.152 15.355 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.378 -2.606 16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.845 -4.477 17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.239 -4.911 17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.978 -5.440 16.146 1.00 0.00 H new ATOM 774 N ARG A 52 -2.211 -3.204 11.379 1.00 0.00 N ATOM 775 CA ARG A 52 -3.372 -3.252 10.511 1.00 0.00 C ATOM 776 C ARG A 52 -3.082 -4.132 9.302 1.00 0.00 C ATOM 777 O ARG A 52 -3.760 -4.042 8.279 1.00 0.00 O ATOM 778 CB ARG A 52 -3.788 -1.836 10.085 1.00 0.00 C ATOM 779 CG ARG A 52 -4.426 -1.113 11.285 1.00 0.00 C ATOM 780 CD ARG A 52 -4.730 0.349 10.932 1.00 0.00 C ATOM 781 NE ARG A 52 -5.668 0.451 9.807 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.994 0.451 9.974 1.00 0.00 C ATOM 783 NH1 ARG A 52 -7.503 0.230 11.148 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.779 0.664 8.956 1.00 0.00 N ATOM 0 H ARG A 52 -1.507 -2.526 11.085 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.207 -3.689 11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.920 -1.280 9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.495 -1.885 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.345 -1.621 11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.753 -1.154 12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.149 0.854 11.802 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.802 0.863 10.681 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.293 0.525 8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.891 0.056 11.945 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.515 0.230 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.381 0.831 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.791 0.664 9.084 1.00 0.00 H new ATOM 798 N ASP A 53 -2.059 -4.982 9.438 1.00 0.00 N ATOM 799 CA ASP A 53 -1.654 -5.923 8.389 1.00 0.00 C ATOM 800 C ASP A 53 -1.619 -5.260 7.024 1.00 0.00 C ATOM 801 O ASP A 53 -2.089 -5.818 6.035 1.00 0.00 O ATOM 802 CB ASP A 53 -2.542 -7.187 8.366 1.00 0.00 C ATOM 803 CG ASP A 53 -3.998 -6.849 8.588 1.00 0.00 C ATOM 804 OD1 ASP A 53 -4.388 -6.714 9.729 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.712 -6.740 7.622 1.00 0.00 O ATOM 0 H ASP A 53 -1.487 -5.037 10.281 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.640 -6.242 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.428 -7.695 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.208 -7.881 9.137 1.00 0.00 H new ATOM 810 N GLY A 54 -1.098 -4.059 6.975 1.00 0.00 N ATOM 811 CA GLY A 54 -1.008 -3.317 5.726 1.00 0.00 C ATOM 812 C GLY A 54 -2.378 -2.845 5.283 1.00 0.00 C ATOM 813 O GLY A 54 -2.493 -1.878 4.523 1.00 0.00 O ATOM 0 H GLY A 54 -0.726 -3.566 7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.346 -2.460 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.568 -3.948 4.954 1.00 0.00 H new ATOM 817 N SER A 55 -3.414 -3.496 5.793 1.00 0.00 N ATOM 818 CA SER A 55 -4.779 -3.126 5.490 1.00 0.00 C ATOM 819 C SER A 55 -5.106 -1.775 6.099 1.00 0.00 C ATOM 820 O SER A 55 -5.712 -1.679 7.178 1.00 0.00 O ATOM 821 CB SER A 55 -5.737 -4.195 6.011 1.00 0.00 C ATOM 822 OG SER A 55 -5.282 -5.491 5.599 1.00 0.00 O ATOM 0 H SER A 55 -3.327 -4.292 6.425 1.00 0.00 H new ATOM 0 HA SER A 55 -4.894 -3.051 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.794 -4.147 7.098 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.742 -4.013 5.631 1.00 0.00 H new ATOM 0 HG SER A 55 -5.391 -6.126 6.337 1.00 0.00 H new ATOM 828 N LEU A 56 -4.666 -0.734 5.428 1.00 0.00 N ATOM 829 CA LEU A 56 -4.873 0.618 5.894 1.00 0.00 C ATOM 830 C LEU A 56 -6.360 0.910 5.947 1.00 0.00 C ATOM 831 O LEU A 56 -6.854 1.483 6.916 1.00 0.00 O ATOM 832 CB LEU A 56 -4.169 1.609 4.963 1.00 0.00 C ATOM 833 CG LEU A 56 -2.649 1.411 5.061 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.949 2.269 4.020 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.157 1.802 6.451 1.00 0.00 C ATOM 0 H LEU A 56 -4.156 -0.801 4.547 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.452 0.725 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.501 1.458 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.432 2.631 5.236 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.421 0.360 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.871 2.124 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.286 1.980 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.187 3.318 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.078 1.658 6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.394 2.849 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.647 1.179 7.199 1.00 0.00 H new ATOM 847 N GLY A 57 -7.076 0.461 4.929 1.00 0.00 N ATOM 848 CA GLY A 57 -8.524 0.636 4.879 1.00 0.00 C ATOM 849 C GLY A 57 -8.878 1.903 4.131 1.00 0.00 C ATOM 850 O GLY A 57 -8.186 2.278 3.181 1.00 0.00 O ATOM 0 H GLY A 57 -6.681 -0.027 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.984 -0.223 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.926 0.679 5.891 1.00 0.00 H new ATOM 854 N TYR A 58 -9.969 2.549 4.540 1.00 0.00 N ATOM 855 CA TYR A 58 -10.422 3.781 3.899 1.00 0.00 C ATOM 856 C TYR A 58 -9.697 4.980 4.498 1.00 0.00 C ATOM 857 O TYR A 58 -10.085 5.482 5.577 1.00 0.00 O ATOM 858 CB TYR A 58 -11.950 4.002 4.059 1.00 0.00 C ATOM 859 CG TYR A 58 -12.634 2.832 4.734 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.394 2.569 6.086 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.524 2.024 4.012 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.039 1.507 6.715 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.167 0.958 4.646 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.923 0.702 5.997 1.00 0.00 C ATOM 865 OH TYR A 58 -14.564 -0.347 6.626 1.00 0.00 O ATOM 0 H TYR A 58 -10.556 2.238 5.314 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.196 3.684 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -12.125 4.907 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.396 4.163 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.708 3.190 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.712 2.225 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.854 1.307 7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.852 0.333 4.092 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.146 -0.807 5.985 1.00 0.00 H new ATOM 875 N PHE A 59 -8.737 5.512 3.763 1.00 0.00 N ATOM 876 CA PHE A 59 -7.998 6.694 4.204 1.00 0.00 C ATOM 877 C PHE A 59 -8.187 7.840 3.228 1.00 0.00 C ATOM 878 O PHE A 59 -8.430 7.624 2.043 1.00 0.00 O ATOM 879 CB PHE A 59 -6.508 6.371 4.339 1.00 0.00 C ATOM 880 CG PHE A 59 -5.985 5.841 3.025 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.518 6.723 2.040 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.974 4.463 2.792 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.040 6.223 0.826 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.499 3.963 1.582 1.00 0.00 C ATOM 885 CZ PHE A 59 -5.031 4.841 0.596 1.00 0.00 C ATOM 0 H PHE A 59 -8.446 5.148 2.856 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.388 6.994 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.956 7.265 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.355 5.634 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.528 7.788 2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.334 3.785 3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.678 6.900 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.491 2.898 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.663 4.452 -0.342 1.00 0.00 H new ATOM 895 N GLY A 60 -8.168 9.055 3.754 1.00 0.00 N ATOM 896 CA GLY A 60 -8.390 10.245 2.948 1.00 0.00 C ATOM 897 C GLY A 60 -7.086 10.743 2.352 1.00 0.00 C ATOM 898 O GLY A 60 -6.031 10.123 2.526 1.00 0.00 O ATOM 0 H GLY A 60 -8.000 9.243 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.098 10.022 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.837 11.027 3.562 1.00 0.00 H new ATOM 902 N ARG A 61 -7.153 11.867 1.659 1.00 0.00 N ATOM 903 CA ARG A 61 -5.996 12.437 1.010 1.00 0.00 C ATOM 904 C ARG A 61 -5.188 13.333 1.914 1.00 0.00 C ATOM 905 O ARG A 61 -5.638 13.739 3.001 1.00 0.00 O ATOM 906 CB ARG A 61 -6.373 13.174 -0.261 1.00 0.00 C ATOM 907 CG ARG A 61 -6.879 12.172 -1.293 1.00 0.00 C ATOM 908 CD ARG A 61 -6.599 12.725 -2.677 1.00 0.00 C ATOM 909 NE ARG A 61 -5.154 12.873 -2.835 1.00 0.00 N ATOM 910 CZ ARG A 61 -4.591 13.059 -4.015 1.00 0.00 C ATOM 911 NH1 ARG A 61 -5.324 13.039 -5.095 1.00 0.00 N ATOM 912 NH2 ARG A 61 -3.307 13.235 -4.093 1.00 0.00 N ATOM 0 H ARG A 61 -8.010 12.405 1.534 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.361 11.590 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.143 13.916 -0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.510 13.712 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.383 11.210 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.947 12.000 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.997 12.055 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.095 13.687 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.560 12.831 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.329 12.880 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.892 13.182 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.739 13.229 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.866 13.379 -5.001 1.00 0.00 H new ATOM 926 N GLY A 62 -3.963 13.582 1.493 1.00 0.00 N ATOM 927 CA GLY A 62 -3.031 14.395 2.237 1.00 0.00 C ATOM 928 C GLY A 62 -2.493 13.637 3.429 1.00 0.00 C ATOM 929 O GLY A 62 -1.454 13.987 3.986 1.00 0.00 O ATOM 0 H GLY A 62 -3.587 13.221 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.207 14.697 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.524 15.307 2.572 1.00 0.00 H new ATOM 933 N LYS A 63 -3.230 12.623 3.846 1.00 0.00 N ATOM 934 CA LYS A 63 -2.866 11.847 5.007 1.00 0.00 C ATOM 935 C LYS A 63 -1.561 11.103 4.749 1.00 0.00 C ATOM 936 O LYS A 63 -0.690 11.037 5.616 1.00 0.00 O ATOM 937 CB LYS A 63 -3.989 10.865 5.350 1.00 0.00 C ATOM 938 CG LYS A 63 -5.341 11.612 5.383 1.00 0.00 C ATOM 939 CD LYS A 63 -5.253 12.860 6.279 1.00 0.00 C ATOM 940 CE LYS A 63 -6.616 13.569 6.310 1.00 0.00 C ATOM 941 NZ LYS A 63 -7.104 13.821 4.918 1.00 0.00 N ATOM 0 H LYS A 63 -4.091 12.320 3.390 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.719 12.516 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.023 10.064 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.796 10.400 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.625 11.904 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.121 10.947 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.957 12.575 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.487 13.538 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.339 12.958 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.530 14.513 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.606 14.731 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.294 13.848 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.752 13.059 4.634 1.00 0.00 H new ATOM 955 N MET A 64 -1.426 10.586 3.536 1.00 0.00 N ATOM 956 CA MET A 64 -0.224 9.875 3.119 1.00 0.00 C ATOM 957 C MET A 64 0.515 10.652 2.045 1.00 0.00 C ATOM 958 O MET A 64 -0.042 11.561 1.427 1.00 0.00 O ATOM 959 CB MET A 64 -0.552 8.465 2.618 1.00 0.00 C ATOM 960 CG MET A 64 -0.485 7.466 3.779 1.00 0.00 C ATOM 961 SD MET A 64 -1.717 7.901 5.029 1.00 0.00 S ATOM 962 CE MET A 64 -3.182 7.360 4.117 1.00 0.00 C ATOM 0 H MET A 64 -2.144 10.647 2.814 1.00 0.00 H new ATOM 0 HA MET A 64 0.420 9.782 3.993 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.547 8.451 2.173 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.151 8.175 1.837 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.666 6.455 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.512 7.472 4.220 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.860 6.840 4.794 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.687 8.228 3.692 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.883 6.686 3.315 1.00 0.00 H new ATOM 972 N VAL A 65 1.782 10.335 1.882 1.00 0.00 N ATOM 973 CA VAL A 65 2.646 11.042 0.952 1.00 0.00 C ATOM 974 C VAL A 65 2.111 10.984 -0.489 1.00 0.00 C ATOM 975 O VAL A 65 1.456 10.016 -0.896 1.00 0.00 O ATOM 976 CB VAL A 65 4.078 10.487 1.042 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.528 10.506 2.508 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.113 9.044 0.534 1.00 0.00 C ATOM 0 H VAL A 65 2.245 9.581 2.389 1.00 0.00 H new ATOM 0 HA VAL A 65 2.660 12.094 1.235 1.00 0.00 H new ATOM 0 HB VAL A 65 4.741 11.101 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.542 10.114 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.506 11.530 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.856 9.888 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.131 8.659 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.451 8.428 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.782 9.016 -0.504 1.00 0.00 H new ATOM 988 N LYS A 66 2.352 12.055 -1.231 1.00 0.00 N ATOM 989 CA LYS A 66 1.858 12.187 -2.601 1.00 0.00 C ATOM 990 C LYS A 66 2.073 10.907 -3.426 1.00 0.00 C ATOM 991 O LYS A 66 1.149 10.444 -4.104 1.00 0.00 O ATOM 992 CB LYS A 66 2.486 13.407 -3.295 1.00 0.00 C ATOM 993 CG LYS A 66 2.065 14.696 -2.569 1.00 0.00 C ATOM 994 CD LYS A 66 2.915 15.888 -3.065 1.00 0.00 C ATOM 995 CE LYS A 66 2.373 16.448 -4.398 1.00 0.00 C ATOM 996 NZ LYS A 66 0.971 16.009 -4.618 1.00 0.00 N ATOM 0 H LYS A 66 2.893 12.856 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 66 0.781 12.344 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.572 13.317 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.170 13.446 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.008 14.894 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.189 14.574 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.916 16.675 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.949 15.570 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.421 17.537 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.000 16.109 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.584 16.489 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.949 14.980 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.397 16.250 -3.785 1.00 0.00 H new ATOM 1010 N PRO A 67 3.254 10.319 -3.386 1.00 0.00 N ATOM 1011 CA PRO A 67 3.499 9.050 -4.149 1.00 0.00 C ATOM 1012 C PRO A 67 2.482 7.986 -3.760 1.00 0.00 C ATOM 1013 O PRO A 67 1.954 7.243 -4.607 1.00 0.00 O ATOM 1014 CB PRO A 67 4.889 8.614 -3.670 1.00 0.00 C ATOM 1015 CG PRO A 67 5.588 9.873 -3.283 1.00 0.00 C ATOM 1016 CD PRO A 67 4.510 10.859 -2.817 1.00 0.00 C ATOM 0 HA PRO A 67 3.424 9.188 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.816 7.929 -2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.430 8.091 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.309 9.685 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.144 10.280 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.463 10.914 -1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.710 11.868 -3.178 1.00 0.00 H new ATOM 1024 N PHE A 68 2.216 7.927 -2.465 1.00 0.00 N ATOM 1025 CA PHE A 68 1.290 6.972 -1.898 1.00 0.00 C ATOM 1026 C PHE A 68 -0.091 7.193 -2.476 1.00 0.00 C ATOM 1027 O PHE A 68 -0.764 6.245 -2.903 1.00 0.00 O ATOM 1028 CB PHE A 68 1.254 7.142 -0.379 1.00 0.00 C ATOM 1029 CG PHE A 68 0.446 6.044 0.253 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.936 6.186 0.402 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.083 4.882 0.691 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.678 5.162 0.987 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.341 3.862 1.274 1.00 0.00 C ATOM 1034 CZ PHE A 68 -1.041 4.001 1.423 1.00 0.00 C ATOM 0 H PHE A 68 2.642 8.547 -1.776 1.00 0.00 H new ATOM 0 HA PHE A 68 1.616 5.960 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.269 7.130 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.824 8.111 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.428 7.087 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.152 4.776 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.747 5.268 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.833 2.962 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.617 3.208 1.877 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.508 8.451 -2.510 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.822 8.774 -3.030 1.00 0.00 C ATOM 1046 C GLU A 69 -1.928 8.386 -4.485 1.00 0.00 C ATOM 1047 O GLU A 69 -2.907 7.772 -4.902 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.095 10.274 -2.921 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.262 10.697 -1.466 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.500 12.188 -1.419 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.765 12.908 -2.073 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -3.428 12.594 -0.774 1.00 0.00 O ATOM 0 H GLU A 69 0.037 9.251 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.550 8.219 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.273 10.830 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.996 10.525 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.099 10.166 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.372 10.438 -0.893 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.929 8.746 -5.267 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.991 8.469 -6.690 1.00 0.00 C ATOM 1061 C ASP A 70 -1.144 6.994 -6.930 1.00 0.00 C ATOM 1062 O ASP A 70 -2.019 6.571 -7.682 1.00 0.00 O ATOM 1063 CB ASP A 70 0.243 8.992 -7.420 1.00 0.00 C ATOM 1064 CG ASP A 70 0.018 8.905 -8.913 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.914 9.524 -9.391 1.00 0.00 O ATOM 1066 OD2 ASP A 70 0.781 8.238 -9.558 1.00 0.00 O ATOM 0 H ASP A 70 -0.083 9.220 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.862 8.990 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.440 10.024 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.120 8.409 -7.139 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.354 6.203 -6.225 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.449 4.757 -6.349 1.00 0.00 C ATOM 1073 C ALA A 71 -1.848 4.270 -5.974 1.00 0.00 C ATOM 1074 O ALA A 71 -2.463 3.496 -6.713 1.00 0.00 O ATOM 1075 CB ALA A 71 0.606 4.067 -5.483 1.00 0.00 C ATOM 0 H ALA A 71 0.353 6.532 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.263 4.496 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.516 2.986 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.600 4.382 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.455 4.340 -4.439 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.375 4.772 -4.857 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.718 4.396 -4.431 1.00 0.00 C ATOM 1083 C ALA A 72 -4.729 4.788 -5.491 1.00 0.00 C ATOM 1084 O ALA A 72 -5.580 3.988 -5.884 1.00 0.00 O ATOM 1085 CB ALA A 72 -4.073 5.069 -3.098 1.00 0.00 C ATOM 0 H ALA A 72 -1.899 5.430 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.744 3.315 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.079 4.775 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.361 4.759 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.031 6.152 -3.215 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.609 6.011 -5.971 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.479 6.505 -7.019 1.00 0.00 C ATOM 1093 C PHE A 73 -5.238 5.805 -8.348 1.00 0.00 C ATOM 1094 O PHE A 73 -6.180 5.566 -9.104 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.405 8.029 -7.165 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.198 8.661 -6.052 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.589 8.732 -6.147 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.552 9.165 -4.918 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.331 9.304 -5.112 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -6.289 9.736 -3.888 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.680 9.807 -3.982 1.00 0.00 C ATOM 0 H PHE A 73 -3.913 6.684 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.496 6.262 -6.710 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.368 8.362 -7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.802 8.335 -8.133 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.091 8.344 -7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.476 9.110 -4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.407 9.358 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.786 10.125 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.253 10.251 -3.181 1.00 0.00 H new ATOM 1111 N ARG A 74 -3.981 5.483 -8.650 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.689 4.801 -9.910 1.00 0.00 C ATOM 1113 C ARG A 74 -4.379 3.456 -9.977 1.00 0.00 C ATOM 1114 O ARG A 74 -4.912 3.090 -11.018 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.181 4.589 -10.120 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.482 5.893 -10.526 1.00 0.00 C ATOM 1117 CD ARG A 74 0.018 5.616 -10.658 1.00 0.00 C ATOM 1118 NE ARG A 74 0.242 4.587 -11.671 1.00 0.00 N ATOM 1119 CZ ARG A 74 1.237 3.693 -11.583 1.00 0.00 C ATOM 1120 NH1 ARG A 74 2.138 3.793 -10.640 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.323 2.742 -12.459 1.00 0.00 N ATOM 0 H ARG A 74 -3.171 5.676 -8.061 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.066 5.451 -10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.735 4.206 -9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.022 3.834 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.884 6.261 -11.470 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.661 6.667 -9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.544 6.531 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.423 5.291 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.383 4.547 -12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.087 4.556 -9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.892 3.108 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.636 2.677 -13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.078 2.059 -12.397 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.305 2.695 -8.899 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.890 1.360 -8.887 1.00 0.00 C ATOM 1137 C LEU A 75 -6.245 1.286 -8.214 1.00 0.00 C ATOM 1138 O LEU A 75 -6.569 0.268 -7.591 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.931 0.312 -8.333 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.694 0.231 -9.237 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.733 -0.793 -8.672 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.100 -0.191 -10.653 1.00 0.00 C ATOM 0 H LEU A 75 -3.852 2.972 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.068 1.124 -9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.637 0.573 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.424 -0.659 -8.283 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.218 1.211 -9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.851 -0.856 -9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.433 -0.495 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.221 -1.767 -8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.213 -0.245 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.580 -1.169 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.795 0.540 -11.065 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.102 2.262 -8.471 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.469 2.182 -7.971 1.00 0.00 C ATOM 1156 C GLN A 76 -9.106 0.879 -8.443 1.00 0.00 C ATOM 1157 O GLN A 76 -10.071 0.380 -7.843 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.308 3.384 -8.432 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.856 4.650 -7.696 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.638 5.856 -8.204 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -9.048 6.859 -8.622 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.939 5.818 -8.208 1.00 0.00 N ATOM 0 H GLN A 76 -6.885 3.101 -9.010 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.439 2.202 -6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.202 3.521 -9.508 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.364 3.197 -8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.010 4.532 -6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.788 4.808 -7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.426 4.991 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.471 6.615 -8.556 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.532 0.328 -9.503 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.975 -0.917 -10.097 1.00 0.00 C ATOM 1173 C VAL A 77 -8.853 -2.094 -9.114 1.00 0.00 C ATOM 1174 O VAL A 77 -9.668 -3.019 -9.155 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.169 -1.191 -11.382 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.689 -1.393 -11.050 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -8.710 -2.432 -12.097 1.00 0.00 C ATOM 0 H VAL A 77 -7.732 0.744 -9.980 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.031 -0.820 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.272 -0.328 -12.040 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.133 -1.586 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.298 -0.496 -10.570 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.580 -2.242 -10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.130 -2.612 -13.002 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.630 -3.296 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.755 -2.273 -12.361 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.848 -2.057 -8.224 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.675 -3.139 -7.234 1.00 0.00 C ATOM 1189 C GLY A 78 -6.326 -3.849 -7.347 1.00 0.00 C ATOM 1190 O GLY A 78 -6.023 -4.743 -6.546 1.00 0.00 O ATOM 0 H GLY A 78 -7.156 -1.310 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.777 -2.725 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.474 -3.869 -7.360 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.534 -3.480 -8.336 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.241 -4.123 -8.556 1.00 0.00 C ATOM 1196 C GLU A 79 -3.216 -3.695 -7.497 1.00 0.00 C ATOM 1197 O GLU A 79 -3.474 -2.796 -6.690 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.717 -3.807 -9.970 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.262 -5.097 -10.672 1.00 0.00 C ATOM 1200 CD GLU A 79 -1.888 -5.500 -10.175 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -0.921 -5.047 -10.734 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.818 -6.253 -9.230 1.00 0.00 O ATOM 0 H GLU A 79 -5.758 -2.740 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.384 -5.200 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.499 -3.323 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.885 -3.106 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.977 -5.897 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.237 -4.944 -11.751 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.049 -4.333 -7.534 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.944 -3.998 -6.647 1.00 0.00 C ATOM 1211 C VAL A 80 -0.047 -2.976 -7.351 1.00 0.00 C ATOM 1212 O VAL A 80 0.326 -3.168 -8.513 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.120 -5.264 -6.322 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.802 -5.009 -5.138 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.046 -6.441 -6.008 1.00 0.00 C ATOM 0 H VAL A 80 -1.845 -5.096 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.334 -3.584 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 80 0.483 -5.510 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.375 -5.911 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.485 -4.194 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.207 -4.740 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.448 -7.324 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.669 -6.194 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.681 -6.644 -6.870 1.00 0.00 H new ATOM 1225 N SER A 81 0.261 -1.896 -6.673 1.00 0.00 N ATOM 1226 CA SER A 81 1.078 -0.846 -7.246 1.00 0.00 C ATOM 1227 C SER A 81 2.516 -1.286 -7.386 1.00 0.00 C ATOM 1228 O SER A 81 3.011 -2.069 -6.567 1.00 0.00 O ATOM 1229 CB SER A 81 0.992 0.398 -6.364 1.00 0.00 C ATOM 1230 OG SER A 81 1.151 0.012 -5.000 1.00 0.00 O ATOM 0 H SER A 81 -0.043 -1.718 -5.716 1.00 0.00 H new ATOM 0 HA SER A 81 0.702 -0.617 -8.243 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.765 1.113 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.032 0.894 -6.505 1.00 0.00 H new ATOM 0 HG SER A 81 0.318 -0.388 -4.674 1.00 0.00 H new ATOM 1236 N GLU A 82 3.224 -0.690 -8.345 1.00 0.00 N ATOM 1237 CA GLU A 82 4.654 -0.914 -8.463 1.00 0.00 C ATOM 1238 C GLU A 82 5.303 -0.357 -7.222 1.00 0.00 C ATOM 1239 O GLU A 82 4.660 0.387 -6.479 1.00 0.00 O ATOM 1240 CB GLU A 82 5.231 -0.199 -9.699 1.00 0.00 C ATOM 1241 CG GLU A 82 4.324 -0.413 -10.914 1.00 0.00 C ATOM 1242 CD GLU A 82 3.450 0.804 -11.190 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.676 1.839 -10.603 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.563 0.682 -11.989 1.00 0.00 O ATOM 0 H GLU A 82 2.831 -0.056 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 82 4.848 -1.981 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.331 0.867 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.230 -0.578 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.935 -0.628 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.691 -1.284 -10.746 1.00 0.00 H new ATOM 1251 N PRO A 83 6.553 -0.618 -7.007 1.00 0.00 N ATOM 1252 CA PRO A 83 7.229 -0.055 -5.809 1.00 0.00 C ATOM 1253 C PRO A 83 7.029 1.459 -5.772 1.00 0.00 C ATOM 1254 O PRO A 83 7.256 2.143 -6.768 1.00 0.00 O ATOM 1255 CB PRO A 83 8.709 -0.390 -6.047 1.00 0.00 C ATOM 1256 CG PRO A 83 8.692 -1.597 -6.931 1.00 0.00 C ATOM 1257 CD PRO A 83 7.463 -1.448 -7.826 1.00 0.00 C ATOM 0 HA PRO A 83 6.849 -0.451 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.231 0.441 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.224 -0.595 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.603 -1.657 -7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.636 -2.512 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.709 -0.965 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.020 -2.414 -8.068 1.00 0.00 H new ATOM 1265 N VAL A 84 6.607 1.967 -4.634 1.00 0.00 N ATOM 1266 CA VAL A 84 6.359 3.386 -4.469 1.00 0.00 C ATOM 1267 C VAL A 84 7.474 3.999 -3.655 1.00 0.00 C ATOM 1268 O VAL A 84 7.573 3.753 -2.455 1.00 0.00 O ATOM 1269 CB VAL A 84 5.007 3.592 -3.756 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.729 5.083 -3.541 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.878 2.979 -4.594 1.00 0.00 C ATOM 0 H VAL A 84 6.426 1.411 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 84 6.323 3.869 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 84 5.053 3.100 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.770 5.205 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.520 5.516 -2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.699 5.590 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.925 3.128 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.847 3.461 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.058 1.912 -4.722 1.00 0.00 H new ATOM 1281 N LYS A 85 8.319 4.766 -4.304 1.00 0.00 N ATOM 1282 CA LYS A 85 9.440 5.371 -3.616 1.00 0.00 C ATOM 1283 C LYS A 85 8.984 6.578 -2.824 1.00 0.00 C ATOM 1284 O LYS A 85 8.261 7.431 -3.344 1.00 0.00 O ATOM 1285 CB LYS A 85 10.525 5.780 -4.617 1.00 0.00 C ATOM 1286 CG LYS A 85 11.773 6.262 -3.857 1.00 0.00 C ATOM 1287 CD LYS A 85 12.874 6.600 -4.860 1.00 0.00 C ATOM 1288 CE LYS A 85 14.133 7.068 -4.121 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.646 5.977 -3.257 1.00 0.00 N ATOM 0 H LYS A 85 8.255 4.986 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 85 9.857 4.636 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.780 4.936 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.154 6.572 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.531 7.138 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.116 5.489 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.104 5.725 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.531 7.380 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.897 7.365 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.905 7.946 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.640 6.164 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.081 5.930 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.577 5.071 -3.764 1.00 0.00 H new ATOM 1303 N SER A 86 9.426 6.653 -1.591 1.00 0.00 N ATOM 1304 CA SER A 86 9.123 7.757 -0.721 1.00 0.00 C ATOM 1305 C SER A 86 10.364 8.092 0.074 1.00 0.00 C ATOM 1306 O SER A 86 11.322 7.300 0.101 1.00 0.00 O ATOM 1307 CB SER A 86 7.975 7.387 0.226 1.00 0.00 C ATOM 1308 OG SER A 86 8.492 6.641 1.336 1.00 0.00 O ATOM 0 H SER A 86 10.013 5.938 -1.161 1.00 0.00 H new ATOM 0 HA SER A 86 8.813 8.620 -1.311 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.477 8.289 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.227 6.798 -0.305 1.00 0.00 H new ATOM 0 HG SER A 86 8.642 5.712 1.064 1.00 0.00 H new ATOM 1314 N GLU A 87 10.357 9.223 0.743 1.00 0.00 N ATOM 1315 CA GLU A 87 11.492 9.605 1.566 1.00 0.00 C ATOM 1316 C GLU A 87 11.722 8.520 2.601 1.00 0.00 C ATOM 1317 O GLU A 87 12.860 8.185 2.936 1.00 0.00 O ATOM 1318 CB GLU A 87 11.248 10.961 2.268 1.00 0.00 C ATOM 1319 CG GLU A 87 9.765 11.384 2.161 1.00 0.00 C ATOM 1320 CD GLU A 87 9.439 11.820 0.751 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.911 12.857 0.351 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.727 11.103 0.084 1.00 0.00 O ATOM 0 H GLU A 87 9.587 9.892 0.737 1.00 0.00 H new ATOM 0 HA GLU A 87 12.370 9.718 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.534 10.887 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.881 11.726 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.122 10.552 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.562 12.199 2.856 1.00 0.00 H new ATOM 1329 N PHE A 88 10.624 7.955 3.077 1.00 0.00 N ATOM 1330 CA PHE A 88 10.652 6.870 4.046 1.00 0.00 C ATOM 1331 C PHE A 88 11.306 5.620 3.478 1.00 0.00 C ATOM 1332 O PHE A 88 12.062 4.928 4.176 1.00 0.00 O ATOM 1333 CB PHE A 88 9.224 6.537 4.486 1.00 0.00 C ATOM 1334 CG PHE A 88 8.722 7.599 5.433 1.00 0.00 C ATOM 1335 CD1 PHE A 88 9.056 7.539 6.792 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.930 8.649 4.955 1.00 0.00 C ATOM 1337 CE1 PHE A 88 8.598 8.529 7.668 1.00 0.00 C ATOM 1338 CE2 PHE A 88 7.475 9.638 5.831 1.00 0.00 C ATOM 1339 CZ PHE A 88 7.807 9.578 7.188 1.00 0.00 C ATOM 0 H PHE A 88 9.683 8.237 2.801 1.00 0.00 H new ATOM 0 HA PHE A 88 11.244 7.203 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.571 6.474 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.201 5.562 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.667 6.729 7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.670 8.695 3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.855 8.483 8.716 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.866 10.449 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.453 10.341 7.865 1.00 0.00 H new ATOM 1349 N GLY A 89 10.961 5.286 2.258 1.00 0.00 N ATOM 1350 CA GLY A 89 11.450 4.061 1.646 1.00 0.00 C ATOM 1351 C GLY A 89 10.584 3.699 0.465 1.00 0.00 C ATOM 1352 O GLY A 89 10.018 4.578 -0.177 1.00 0.00 O ATOM 0 H GLY A 89 10.344 5.841 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.483 4.192 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.443 3.251 2.376 1.00 0.00 H new ATOM 1356 N TYR A 90 10.448 2.412 0.194 1.00 0.00 N ATOM 1357 CA TYR A 90 9.614 1.966 -0.911 1.00 0.00 C ATOM 1358 C TYR A 90 8.364 1.276 -0.375 1.00 0.00 C ATOM 1359 O TYR A 90 8.458 0.365 0.443 1.00 0.00 O ATOM 1360 CB TYR A 90 10.404 1.003 -1.811 1.00 0.00 C ATOM 1361 CG TYR A 90 11.555 1.745 -2.458 1.00 0.00 C ATOM 1362 CD1 TYR A 90 12.778 1.865 -1.784 1.00 0.00 C ATOM 1363 CD2 TYR A 90 11.398 2.316 -3.726 1.00 0.00 C ATOM 1364 CE1 TYR A 90 13.841 2.551 -2.375 1.00 0.00 C ATOM 1365 CE2 TYR A 90 12.465 3.004 -4.317 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.685 3.122 -3.641 1.00 0.00 C ATOM 1367 OH TYR A 90 14.733 3.807 -4.221 1.00 0.00 O ATOM 0 H TYR A 90 10.900 1.663 0.718 1.00 0.00 H new ATOM 0 HA TYR A 90 9.314 2.832 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.781 0.166 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.750 0.585 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.899 1.426 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.456 2.226 -4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.783 2.640 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.346 3.444 -5.296 1.00 0.00 H new ATOM 0 HH TYR A 90 14.552 3.935 -5.175 1.00 0.00 H new ATOM 1377 N HIS A 91 7.205 1.685 -0.863 1.00 0.00 N ATOM 1378 CA HIS A 91 5.945 1.079 -0.444 1.00 0.00 C ATOM 1379 C HIS A 91 5.361 0.263 -1.568 1.00 0.00 C ATOM 1380 O HIS A 91 5.458 0.646 -2.729 1.00 0.00 O ATOM 1381 CB HIS A 91 4.902 2.145 -0.058 1.00 0.00 C ATOM 1382 CG HIS A 91 5.474 3.180 0.865 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.948 3.400 2.124 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.493 4.086 0.718 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.644 4.403 2.685 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.595 4.859 1.869 1.00 0.00 N ATOM 0 H HIS A 91 7.107 2.433 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 91 6.168 0.454 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.528 2.630 -0.960 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.050 1.662 0.421 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.119 4.184 -0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.456 4.792 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.256 5.614 2.051 1.00 0.00 H new ATOM 1394 N VAL A 92 4.608 -0.744 -1.212 1.00 0.00 N ATOM 1395 CA VAL A 92 3.795 -1.466 -2.167 1.00 0.00 C ATOM 1396 C VAL A 92 2.351 -1.284 -1.741 1.00 0.00 C ATOM 1397 O VAL A 92 2.023 -1.519 -0.578 1.00 0.00 O ATOM 1398 CB VAL A 92 4.172 -2.957 -2.151 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.174 -3.768 -2.989 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.586 -3.138 -2.714 1.00 0.00 C ATOM 0 H VAL A 92 4.538 -1.090 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 92 3.950 -1.093 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 92 4.142 -3.317 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.453 -4.821 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.172 -3.650 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.187 -3.409 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.850 -4.195 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.620 -2.768 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.295 -2.580 -2.103 1.00 0.00 H new ATOM 1410 N ILE A 93 1.509 -0.818 -2.640 1.00 0.00 N ATOM 1411 CA ILE A 93 0.126 -0.554 -2.295 1.00 0.00 C ATOM 1412 C ILE A 93 -0.801 -1.391 -3.138 1.00 0.00 C ATOM 1413 O ILE A 93 -0.821 -1.251 -4.361 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.205 0.936 -2.504 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.654 1.800 -1.586 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.685 1.200 -2.201 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.477 3.261 -1.975 1.00 0.00 C ATOM 0 H ILE A 93 1.755 -0.615 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.013 -0.812 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 93 0.003 1.190 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.364 1.649 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.702 1.512 -1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.905 2.257 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.305 0.601 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.898 0.930 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.087 3.887 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.788 3.402 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.571 3.541 -1.869 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.686 -2.102 -2.489 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.765 -2.763 -3.185 1.00 0.00 C ATOM 1431 C LYS A 94 -4.051 -2.080 -2.820 1.00 0.00 C ATOM 1432 O LYS A 94 -4.238 -1.677 -1.667 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.856 -4.252 -2.834 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.034 -4.860 -3.614 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.183 -6.338 -3.294 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.414 -6.885 -4.027 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.242 -6.728 -5.494 1.00 0.00 N ATOM 0 H LYS A 94 -1.683 -2.240 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.575 -2.697 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.927 -4.760 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.003 -4.381 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.954 -4.333 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.875 -4.729 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.290 -6.882 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.290 -6.482 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.557 -7.937 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.308 -6.356 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.724 -7.507 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.652 -5.822 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.229 -6.745 -5.729 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.947 -1.965 -3.769 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.219 -1.359 -3.475 1.00 0.00 C ATOM 1453 C ARG A 95 -7.095 -2.368 -2.767 1.00 0.00 C ATOM 1454 O ARG A 95 -7.030 -3.567 -3.045 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.915 -0.840 -4.722 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.427 0.582 -4.466 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.841 0.709 -5.005 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.769 -0.009 -4.138 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.010 -0.311 -4.524 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.407 -0.037 -5.742 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.818 -0.888 -3.687 1.00 0.00 N ATOM 0 H ARG A 95 -4.823 -2.276 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.042 -0.497 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.224 -0.843 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.745 -1.495 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.411 0.800 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.774 1.309 -4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.124 1.760 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.891 0.308 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.459 -0.289 -3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.767 0.409 -6.399 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.356 -0.269 -6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.502 -1.107 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.768 -1.122 -3.974 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.852 -1.890 -1.823 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.668 -2.719 -0.988 1.00 0.00 C ATOM 1477 C LEU A 96 -10.131 -2.499 -1.310 1.00 0.00 C ATOM 1478 O LEU A 96 -10.552 -1.381 -1.639 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.379 -2.388 0.478 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.152 -3.321 1.407 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -8.693 -4.768 1.198 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -8.881 -2.914 2.851 1.00 0.00 C ATOM 0 H LEU A 96 -7.920 -0.895 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.436 -3.769 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.310 -2.478 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.654 -1.353 0.683 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.217 -3.249 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.250 -5.426 1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.874 -5.061 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.628 -4.847 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.428 -3.574 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.813 -2.991 3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.207 -1.886 3.007 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.880 -3.569 -1.325 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.291 -3.510 -1.654 1.00 0.00 C ATOM 1496 C GLY A 97 -13.138 -3.529 -0.395 1.00 0.00 C ATOM 1497 O GLY A 97 -12.649 -3.975 0.618 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.262 -3.096 -0.453 1.00 0.00 O ATOM 0 H GLY A 97 -10.537 -4.506 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.499 -2.604 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.557 -4.355 -2.290 1.00 0.00 H new TER 1502 GLY A 97