USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=28 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 85 LYS NZ :NH3+ 151:sc= 0.613! (180deg=-0.464) USER MOD Set 1.2: A 90 TYR OH : rot 166:sc= 0.923 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -5.03! C(o=-7.4!,f=-14!) USER MOD Set 2.2: A 86 SER OG : rot -149:sc= -0.392! USER MOD Set 2.3: A 91 HIS : no HE2:sc= -2.01! C(o=-7.4!,f=-29!) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.868 (180deg=-1.1!) USER MOD Single : A 3 MET CE :methyl 149:sc= -0.107 (180deg=-0.959) USER MOD Single : A 5 SER OG : rot 55:sc= -0.113 USER MOD Single : A 6 MET CE :methyl -155:sc= -0.0112 (180deg=-0.371) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0676 (180deg=-0.591) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.567 (180deg=-0.558!) USER MOD Single : A 12 CYS SG : rot -155:sc= -5.5! USER MOD Single : A 13 SER OG : rot 180:sc= -1.23 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= 0.604 (180deg=-0.491!) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.0765 (180deg=-0.539) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -4.62! C(o=-4.6!,f=-8.2!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.73 (180deg=-1.16!) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc=-0.00899 (180deg=-0.242) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.823 (180deg=0.659) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.608 (180deg=0.19) USER MOD Single : A 44 SER OG : rot -157:sc= -5.67! USER MOD Single : A 49 SER OG : rot 55:sc= 0.883 USER MOD Single : A 51 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.671) USER MOD Single : A 55 SER OG : rot -5:sc= 0.601 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.087) USER MOD Single : A 64 MET CE :methyl -168:sc= -3.38! (180deg=-3.85!) USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 0.118 (180deg=-1.06!) USER MOD Single : A 76 GLN : amide:sc= -2.15! C(o=-2.2!,f=-13!) USER MOD Single : A 81 SER OG : rot -80:sc= -2.52! USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= 0.577! (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.457 3.967 0.812 1.00 0.00 N ATOM 2 CA GLY A 1 -19.344 2.972 1.410 1.00 0.00 C ATOM 3 C GLY A 1 -20.073 3.543 2.624 1.00 0.00 C ATOM 4 O GLY A 1 -21.062 4.273 2.474 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.904 4.363 -0.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.279 4.729 1.497 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.556 3.517 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.071 2.637 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.766 2.097 1.708 1.00 0.00 H new ATOM 8 N PRO A 2 -19.588 3.278 3.816 1.00 0.00 N ATOM 9 CA PRO A 2 -20.237 3.817 5.053 1.00 0.00 C ATOM 10 C PRO A 2 -20.306 5.331 5.027 1.00 0.00 C ATOM 11 O PRO A 2 -19.351 5.996 4.586 1.00 0.00 O ATOM 12 CB PRO A 2 -19.308 3.351 6.179 1.00 0.00 C ATOM 13 CG PRO A 2 -18.635 2.142 5.639 1.00 0.00 C ATOM 14 CD PRO A 2 -18.447 2.397 4.147 1.00 0.00 C ATOM 0 HA PRO A 2 -21.265 3.471 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.584 4.123 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.869 3.120 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.676 1.977 6.130 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.238 1.250 5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -17.491 2.877 3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.472 1.471 3.573 1.00 0.00 H new ATOM 22 N MET A 3 -21.409 5.883 5.542 1.00 0.00 N ATOM 23 CA MET A 3 -21.569 7.331 5.586 1.00 0.00 C ATOM 24 C MET A 3 -20.313 7.966 6.145 1.00 0.00 C ATOM 25 O MET A 3 -19.811 7.558 7.204 1.00 0.00 O ATOM 26 CB MET A 3 -22.793 7.739 6.424 1.00 0.00 C ATOM 27 CG MET A 3 -24.088 7.397 5.667 1.00 0.00 C ATOM 28 SD MET A 3 -25.516 7.841 6.688 1.00 0.00 S ATOM 29 CE MET A 3 -25.328 9.641 6.590 1.00 0.00 C ATOM 0 H MET A 3 -22.191 5.354 5.928 1.00 0.00 H new ATOM 0 HA MET A 3 -21.734 7.687 4.569 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.776 7.222 7.383 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.758 8.807 6.637 1.00 0.00 H new ATOM 0 HG2 MET A 3 -24.122 7.936 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 3 -24.113 6.334 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 3 -26.309 10.113 6.646 1.00 0.00 H new ATOM 0 HE2 MET A 3 -24.711 9.988 7.419 1.00 0.00 H new ATOM 0 HE3 MET A 3 -24.851 9.906 5.646 1.00 0.00 H new ATOM 39 N GLY A 4 -19.751 8.883 5.383 1.00 0.00 N ATOM 40 CA GLY A 4 -18.497 9.511 5.736 1.00 0.00 C ATOM 41 C GLY A 4 -17.345 8.876 4.982 1.00 0.00 C ATOM 42 O GLY A 4 -16.263 9.455 4.884 1.00 0.00 O ATOM 0 H GLY A 4 -20.151 9.212 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.542 10.576 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.329 9.420 6.809 1.00 0.00 H new ATOM 46 N SER A 5 -17.594 7.714 4.397 1.00 0.00 N ATOM 47 CA SER A 5 -16.578 7.034 3.608 1.00 0.00 C ATOM 48 C SER A 5 -17.020 6.934 2.156 1.00 0.00 C ATOM 49 O SER A 5 -17.905 6.151 1.823 1.00 0.00 O ATOM 50 CB SER A 5 -16.310 5.637 4.179 1.00 0.00 C ATOM 51 OG SER A 5 -17.033 5.484 5.399 1.00 0.00 O ATOM 0 H SER A 5 -18.487 7.224 4.453 1.00 0.00 H new ATOM 0 HA SER A 5 -15.655 7.612 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.615 4.874 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.243 5.501 4.355 1.00 0.00 H new ATOM 0 HG SER A 5 -17.982 5.675 5.243 1.00 0.00 H new ATOM 57 N MET A 6 -16.415 7.739 1.304 1.00 0.00 N ATOM 58 CA MET A 6 -16.750 7.751 -0.111 1.00 0.00 C ATOM 59 C MET A 6 -15.590 7.188 -0.906 1.00 0.00 C ATOM 60 O MET A 6 -14.437 7.290 -0.475 1.00 0.00 O ATOM 61 CB MET A 6 -17.034 9.190 -0.580 1.00 0.00 C ATOM 62 CG MET A 6 -18.282 9.736 0.128 1.00 0.00 C ATOM 63 SD MET A 6 -18.669 11.390 -0.512 1.00 0.00 S ATOM 64 CE MET A 6 -17.357 12.300 0.347 1.00 0.00 C ATOM 0 H MET A 6 -15.683 8.399 1.568 1.00 0.00 H new ATOM 0 HA MET A 6 -17.641 7.143 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 6 -16.176 9.827 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.182 9.207 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.126 9.066 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.112 9.782 1.204 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.653 13.342 0.463 1.00 0.00 H new ATOM 0 HE2 MET A 6 -17.191 11.858 1.329 1.00 0.00 H new ATOM 0 HE3 MET A 6 -16.437 12.247 -0.235 1.00 0.00 H new ATOM 74 N ALA A 7 -15.878 6.661 -2.095 1.00 0.00 N ATOM 75 CA ALA A 7 -14.825 6.143 -2.971 1.00 0.00 C ATOM 76 C ALA A 7 -13.797 7.228 -3.279 1.00 0.00 C ATOM 77 O ALA A 7 -12.745 6.955 -3.864 1.00 0.00 O ATOM 78 CB ALA A 7 -15.405 5.569 -4.267 1.00 0.00 C ATOM 0 H ALA A 7 -16.822 6.581 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.326 5.331 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.595 5.194 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -16.088 4.754 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.945 6.351 -4.802 1.00 0.00 H new ATOM 84 N ASP A 8 -14.086 8.447 -2.822 1.00 0.00 N ATOM 85 CA ASP A 8 -13.137 9.544 -2.916 1.00 0.00 C ATOM 86 C ASP A 8 -11.927 9.203 -2.084 1.00 0.00 C ATOM 87 O ASP A 8 -10.789 9.469 -2.464 1.00 0.00 O ATOM 88 CB ASP A 8 -13.747 10.838 -2.393 1.00 0.00 C ATOM 89 CG ASP A 8 -12.780 11.966 -2.628 1.00 0.00 C ATOM 90 OD1 ASP A 8 -12.506 12.259 -3.775 1.00 0.00 O ATOM 91 OD2 ASP A 8 -12.308 12.521 -1.666 1.00 0.00 O ATOM 0 H ASP A 8 -14.973 8.694 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.864 9.687 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.691 11.040 -2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.968 10.747 -1.330 1.00 0.00 H new ATOM 96 N LYS A 9 -12.190 8.517 -0.991 1.00 0.00 N ATOM 97 CA LYS A 9 -11.165 7.962 -0.150 1.00 0.00 C ATOM 98 C LYS A 9 -10.697 6.670 -0.755 1.00 0.00 C ATOM 99 O LYS A 9 -11.466 5.987 -1.446 1.00 0.00 O ATOM 100 CB LYS A 9 -11.722 7.666 1.237 1.00 0.00 C ATOM 101 CG LYS A 9 -12.025 8.967 1.973 1.00 0.00 C ATOM 102 CD LYS A 9 -12.640 8.632 3.335 1.00 0.00 C ATOM 103 CE LYS A 9 -12.803 9.909 4.163 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.389 11.000 3.335 1.00 0.00 N ATOM 0 H LYS A 9 -13.137 8.330 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.346 8.676 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.629 7.068 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.004 7.076 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.112 9.548 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.712 9.580 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.609 8.151 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.005 7.923 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.445 9.712 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.835 10.222 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.861 11.690 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.633 11.474 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.082 10.598 2.672 1.00 0.00 H new ATOM 118 N ILE A 10 -9.509 6.273 -0.414 1.00 0.00 N ATOM 119 CA ILE A 10 -9.006 5.025 -0.877 1.00 0.00 C ATOM 120 C ILE A 10 -9.059 4.045 0.252 1.00 0.00 C ATOM 121 O ILE A 10 -8.438 4.263 1.297 1.00 0.00 O ATOM 122 CB ILE A 10 -7.544 5.160 -1.329 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.401 6.306 -2.323 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.060 3.846 -1.974 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.313 6.053 -3.521 1.00 0.00 C ATOM 0 H ILE A 10 -8.872 6.799 0.184 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.610 4.692 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.931 5.372 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.662 7.251 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.365 6.390 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.023 3.956 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.135 3.036 -1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.680 3.616 -2.840 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.213 6.871 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.031 5.116 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.348 5.990 -3.184 1.00 0.00 H new ATOM 137 N LYS A 11 -9.690 2.923 0.002 1.00 0.00 N ATOM 138 CA LYS A 11 -9.642 1.817 0.910 1.00 0.00 C ATOM 139 C LYS A 11 -8.523 0.932 0.437 1.00 0.00 C ATOM 140 O LYS A 11 -8.585 0.420 -0.675 1.00 0.00 O ATOM 141 CB LYS A 11 -10.956 1.036 0.897 1.00 0.00 C ATOM 142 CG LYS A 11 -12.090 1.882 1.481 1.00 0.00 C ATOM 143 CD LYS A 11 -13.407 1.094 1.396 1.00 0.00 C ATOM 144 CE LYS A 11 -13.325 -0.145 2.310 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.654 -0.776 2.420 1.00 0.00 N ATOM 0 H LYS A 11 -10.248 2.757 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.484 2.166 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.202 0.743 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.846 0.118 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.872 2.137 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.178 2.820 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.242 1.727 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.594 0.788 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.606 -0.858 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.967 0.144 3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.689 -1.364 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.385 -0.038 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.826 -1.371 1.585 1.00 0.00 H new ATOM 159 N CYS A 12 -7.427 0.903 1.162 1.00 0.00 N ATOM 160 CA CYS A 12 -6.256 0.210 0.666 1.00 0.00 C ATOM 161 C CYS A 12 -5.429 -0.395 1.758 1.00 0.00 C ATOM 162 O CYS A 12 -5.588 -0.078 2.950 1.00 0.00 O ATOM 163 CB CYS A 12 -5.397 1.140 -0.211 1.00 0.00 C ATOM 164 SG CYS A 12 -3.758 1.373 0.529 1.00 0.00 S ATOM 0 H CYS A 12 -7.320 1.340 2.077 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.623 -0.615 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.295 0.716 -1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.893 2.104 -0.323 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.258 2.504 0.129 1.00 0.00 H new ATOM 170 N SER A 13 -4.486 -1.193 1.328 1.00 0.00 N ATOM 171 CA SER A 13 -3.520 -1.795 2.187 1.00 0.00 C ATOM 172 C SER A 13 -2.144 -1.566 1.599 1.00 0.00 C ATOM 173 O SER A 13 -2.003 -1.438 0.373 1.00 0.00 O ATOM 174 CB SER A 13 -3.813 -3.285 2.334 1.00 0.00 C ATOM 175 OG SER A 13 -5.160 -3.455 2.769 1.00 0.00 O ATOM 0 H SER A 13 -4.373 -1.443 0.346 1.00 0.00 H new ATOM 0 HA SER A 13 -3.564 -1.347 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.658 -3.794 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.127 -3.734 3.052 1.00 0.00 H new ATOM 0 HG SER A 13 -5.355 -4.411 2.864 1.00 0.00 H new ATOM 181 N HIS A 14 -1.151 -1.425 2.456 1.00 0.00 N ATOM 182 CA HIS A 14 0.192 -1.113 2.002 1.00 0.00 C ATOM 183 C HIS A 14 1.229 -1.976 2.693 1.00 0.00 C ATOM 184 O HIS A 14 1.040 -2.400 3.836 1.00 0.00 O ATOM 185 CB HIS A 14 0.495 0.398 2.196 1.00 0.00 C ATOM 186 CG HIS A 14 1.562 0.614 3.247 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.684 1.384 3.006 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.700 0.147 4.533 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.443 1.350 4.118 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.889 0.599 5.076 1.00 0.00 N ATOM 0 H HIS A 14 -1.247 -1.521 3.467 1.00 0.00 H new ATOM 0 HA HIS A 14 0.247 -1.338 0.937 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.821 0.830 1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.417 0.919 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.985 -0.481 5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.385 1.867 4.223 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.262 0.402 6.005 1.00 0.00 H new ATOM 198 N ILE A 15 2.329 -2.193 2.012 1.00 0.00 N ATOM 199 CA ILE A 15 3.453 -2.920 2.568 1.00 0.00 C ATOM 200 C ILE A 15 4.698 -2.067 2.373 1.00 0.00 C ATOM 201 O ILE A 15 4.973 -1.619 1.262 1.00 0.00 O ATOM 202 CB ILE A 15 3.589 -4.263 1.831 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.301 -5.074 2.030 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.766 -5.070 2.403 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.292 -6.278 1.089 1.00 0.00 C ATOM 0 H ILE A 15 2.473 -1.871 1.055 1.00 0.00 H new ATOM 0 HA ILE A 15 3.312 -3.122 3.630 1.00 0.00 H new ATOM 0 HB ILE A 15 3.764 -4.069 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.229 -5.410 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.432 -4.445 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.850 -6.018 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.689 -4.503 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.595 -5.262 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.375 -6.848 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.343 -5.933 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.152 -6.913 1.302 1.00 0.00 H new ATOM 217 N LEU A 16 5.433 -1.826 3.447 1.00 0.00 N ATOM 218 CA LEU A 16 6.635 -1.001 3.385 1.00 0.00 C ATOM 219 C LEU A 16 7.849 -1.910 3.318 1.00 0.00 C ATOM 220 O LEU A 16 8.034 -2.773 4.189 1.00 0.00 O ATOM 221 CB LEU A 16 6.714 -0.100 4.632 1.00 0.00 C ATOM 222 CG LEU A 16 7.895 0.889 4.512 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.646 1.877 3.360 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.039 1.667 5.825 1.00 0.00 C ATOM 0 H LEU A 16 5.220 -2.190 4.376 1.00 0.00 H new ATOM 0 HA LEU A 16 6.605 -0.366 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.781 0.451 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.836 -0.714 5.524 1.00 0.00 H new ATOM 0 HG LEU A 16 8.808 0.330 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.485 2.569 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.545 1.327 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.731 2.437 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.871 2.366 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.120 2.218 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.228 0.970 6.642 1.00 0.00 H new ATOM 236 N VAL A 17 8.655 -1.744 2.283 1.00 0.00 N ATOM 237 CA VAL A 17 9.800 -2.613 2.070 1.00 0.00 C ATOM 238 C VAL A 17 11.090 -1.822 1.989 1.00 0.00 C ATOM 239 O VAL A 17 11.093 -0.640 1.634 1.00 0.00 O ATOM 240 CB VAL A 17 9.598 -3.440 0.793 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.344 -4.304 0.933 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.437 -2.512 -0.417 1.00 0.00 C ATOM 0 H VAL A 17 8.538 -1.016 1.578 1.00 0.00 H new ATOM 0 HA VAL A 17 9.879 -3.285 2.925 1.00 0.00 H new ATOM 0 HB VAL A 17 10.470 -4.077 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.203 -4.890 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.458 -4.975 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.476 -3.663 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.294 -3.110 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.571 -1.867 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.331 -1.899 -0.527 1.00 0.00 H new ATOM 252 N LYS A 18 12.178 -2.488 2.323 1.00 0.00 N ATOM 253 CA LYS A 18 13.495 -1.891 2.296 1.00 0.00 C ATOM 254 C LYS A 18 13.916 -1.589 0.869 1.00 0.00 C ATOM 255 O LYS A 18 14.661 -0.644 0.614 1.00 0.00 O ATOM 256 CB LYS A 18 14.517 -2.861 2.878 1.00 0.00 C ATOM 257 CG LYS A 18 14.199 -3.166 4.344 1.00 0.00 C ATOM 258 CD LYS A 18 15.260 -4.142 4.889 1.00 0.00 C ATOM 259 CE LYS A 18 14.584 -5.368 5.526 1.00 0.00 C ATOM 260 NZ LYS A 18 13.813 -6.118 4.495 1.00 0.00 N ATOM 0 H LYS A 18 12.171 -3.463 2.622 1.00 0.00 H new ATOM 0 HA LYS A 18 13.455 -0.971 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.518 -3.786 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.517 -2.435 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.196 -2.246 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.204 -3.602 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.919 -4.461 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.882 -3.637 5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.337 -6.017 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.919 -5.051 6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.864 -7.137 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.820 -5.811 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.217 -5.931 3.555 1.00 0.00 H new ATOM 274 N LYS A 19 13.629 -2.537 -0.005 1.00 0.00 N ATOM 275 CA LYS A 19 14.181 -2.524 -1.345 1.00 0.00 C ATOM 276 C LYS A 19 13.092 -2.579 -2.399 1.00 0.00 C ATOM 277 O LYS A 19 12.095 -3.293 -2.252 1.00 0.00 O ATOM 278 CB LYS A 19 15.088 -3.743 -1.523 1.00 0.00 C ATOM 279 CG LYS A 19 16.285 -3.663 -0.572 1.00 0.00 C ATOM 280 CD LYS A 19 17.128 -4.942 -0.723 1.00 0.00 C ATOM 281 CE LYS A 19 18.277 -4.932 0.288 1.00 0.00 C ATOM 282 NZ LYS A 19 19.114 -3.725 0.068 1.00 0.00 N ATOM 0 H LYS A 19 13.015 -3.327 0.191 1.00 0.00 H new ATOM 0 HA LYS A 19 14.739 -1.596 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.523 -4.655 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.438 -3.796 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.889 -2.784 -0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.942 -3.557 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.502 -5.821 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.524 -5.009 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.883 -4.935 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.881 -5.833 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.034 -3.850 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.262 -3.586 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.633 -2.892 0.465 1.00 0.00 H new ATOM 296 N GLN A 20 13.376 -1.977 -3.534 1.00 0.00 N ATOM 297 CA GLN A 20 12.508 -2.101 -4.682 1.00 0.00 C ATOM 298 C GLN A 20 12.346 -3.583 -5.032 1.00 0.00 C ATOM 299 O GLN A 20 11.249 -4.048 -5.328 1.00 0.00 O ATOM 300 CB GLN A 20 13.092 -1.323 -5.867 1.00 0.00 C ATOM 301 CG GLN A 20 14.479 -1.871 -6.206 1.00 0.00 C ATOM 302 CD GLN A 20 15.292 -0.812 -6.924 1.00 0.00 C ATOM 303 OE1 GLN A 20 16.304 -0.361 -6.401 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.914 -0.380 -8.081 1.00 0.00 N ATOM 0 H GLN A 20 14.201 -1.397 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 20 11.529 -1.682 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.434 -1.410 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.158 -0.263 -5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.991 -2.178 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.386 -2.757 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.071 -0.756 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.458 0.337 -8.560 1.00 0.00 H new ATOM 313 N GLY A 21 13.443 -4.330 -4.908 1.00 0.00 N ATOM 314 CA GLY A 21 13.437 -5.771 -5.156 1.00 0.00 C ATOM 315 C GLY A 21 12.508 -6.478 -4.196 1.00 0.00 C ATOM 316 O GLY A 21 11.753 -7.358 -4.597 1.00 0.00 O ATOM 0 H GLY A 21 14.353 -3.958 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.124 -5.967 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.447 -6.167 -5.050 1.00 0.00 H new ATOM 320 N GLU A 22 12.449 -6.000 -2.963 1.00 0.00 N ATOM 321 CA GLU A 22 11.494 -6.541 -2.017 1.00 0.00 C ATOM 322 C GLU A 22 10.085 -6.255 -2.505 1.00 0.00 C ATOM 323 O GLU A 22 9.216 -7.126 -2.473 1.00 0.00 O ATOM 324 CB GLU A 22 11.686 -5.932 -0.625 1.00 0.00 C ATOM 325 CG GLU A 22 12.983 -6.432 0.034 1.00 0.00 C ATOM 326 CD GLU A 22 13.191 -5.752 1.393 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.380 -4.934 1.772 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.164 -6.067 2.045 1.00 0.00 O ATOM 0 H GLU A 22 13.041 -5.252 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 22 11.655 -7.617 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.711 -4.845 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.834 -6.187 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.938 -7.513 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.832 -6.224 -0.617 1.00 0.00 H new ATOM 335 N ALA A 23 9.883 -5.049 -3.026 1.00 0.00 N ATOM 336 CA ALA A 23 8.589 -4.672 -3.579 1.00 0.00 C ATOM 337 C ALA A 23 8.220 -5.581 -4.753 1.00 0.00 C ATOM 338 O ALA A 23 7.118 -6.129 -4.804 1.00 0.00 O ATOM 339 CB ALA A 23 8.578 -3.203 -4.014 1.00 0.00 C ATOM 0 H ALA A 23 10.595 -4.320 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 23 7.842 -4.796 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.599 -2.952 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.786 -2.567 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.341 -3.043 -4.776 1.00 0.00 H new ATOM 345 N LEU A 24 9.173 -5.818 -5.648 1.00 0.00 N ATOM 346 CA LEU A 24 8.933 -6.741 -6.762 1.00 0.00 C ATOM 347 C LEU A 24 8.646 -8.126 -6.218 1.00 0.00 C ATOM 348 O LEU A 24 7.735 -8.830 -6.700 1.00 0.00 O ATOM 349 CB LEU A 24 10.155 -6.802 -7.714 1.00 0.00 C ATOM 350 CG LEU A 24 10.124 -5.648 -8.756 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.115 -5.964 -9.869 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.759 -4.322 -8.095 1.00 0.00 C ATOM 0 H LEU A 24 10.102 -5.396 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 24 8.076 -6.377 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.074 -6.743 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.167 -7.761 -8.232 1.00 0.00 H new ATOM 0 HG LEU A 24 11.121 -5.558 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.103 -5.148 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.403 -6.888 -10.370 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.121 -6.080 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.745 -3.533 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.774 -4.403 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.497 -4.081 -7.330 1.00 0.00 H new ATOM 364 N ALA A 25 9.412 -8.516 -5.209 1.00 0.00 N ATOM 365 CA ALA A 25 9.246 -9.820 -4.606 1.00 0.00 C ATOM 366 C ALA A 25 7.831 -9.987 -4.081 1.00 0.00 C ATOM 367 O ALA A 25 7.166 -10.991 -4.368 1.00 0.00 O ATOM 368 CB ALA A 25 10.253 -10.027 -3.474 1.00 0.00 C ATOM 0 H ALA A 25 10.150 -7.947 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 25 9.428 -10.573 -5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.109 -11.014 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.266 -9.949 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.103 -9.265 -2.709 1.00 0.00 H new ATOM 374 N VAL A 26 7.363 -9.008 -3.326 1.00 0.00 N ATOM 375 CA VAL A 26 6.022 -9.087 -2.776 1.00 0.00 C ATOM 376 C VAL A 26 4.963 -9.053 -3.865 1.00 0.00 C ATOM 377 O VAL A 26 3.963 -9.760 -3.776 1.00 0.00 O ATOM 378 CB VAL A 26 5.760 -8.014 -1.706 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.753 -8.189 -0.568 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.947 -6.625 -2.296 1.00 0.00 C ATOM 0 H VAL A 26 7.881 -8.164 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 26 5.952 -10.054 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 26 4.738 -8.123 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.571 -7.430 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.633 -9.180 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.768 -8.083 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.758 -5.875 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.968 -6.520 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.249 -6.483 -3.121 1.00 0.00 H new ATOM 390 N GLN A 27 5.184 -8.254 -4.907 1.00 0.00 N ATOM 391 CA GLN A 27 4.205 -8.186 -5.990 1.00 0.00 C ATOM 392 C GLN A 27 4.013 -9.561 -6.610 1.00 0.00 C ATOM 393 O GLN A 27 2.884 -10.037 -6.767 1.00 0.00 O ATOM 394 CB GLN A 27 4.677 -7.233 -7.093 1.00 0.00 C ATOM 395 CG GLN A 27 4.620 -5.778 -6.638 1.00 0.00 C ATOM 396 CD GLN A 27 5.218 -4.917 -7.736 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.423 -4.966 -7.981 1.00 0.00 O ATOM 398 NE2 GLN A 27 4.456 -4.149 -8.428 1.00 0.00 N ATOM 0 H GLN A 27 6.006 -7.661 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 27 3.269 -7.824 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.698 -7.485 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.055 -7.363 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.590 -5.481 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.174 -5.648 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.457 -4.106 -8.227 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.850 -3.582 -9.179 1.00 0.00 H new ATOM 407 N GLU A 28 5.108 -10.206 -6.948 1.00 0.00 N ATOM 408 CA GLU A 28 5.036 -11.521 -7.559 1.00 0.00 C ATOM 409 C GLU A 28 4.529 -12.555 -6.576 1.00 0.00 C ATOM 410 O GLU A 28 3.698 -13.399 -6.917 1.00 0.00 O ATOM 411 CB GLU A 28 6.376 -11.915 -8.155 1.00 0.00 C ATOM 412 CG GLU A 28 6.694 -10.945 -9.307 1.00 0.00 C ATOM 413 CD GLU A 28 5.646 -11.063 -10.396 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.471 -12.146 -10.898 1.00 0.00 O ATOM 415 OE2 GLU A 28 5.033 -10.066 -10.726 1.00 0.00 O ATOM 0 H GLU A 28 6.053 -9.847 -6.813 1.00 0.00 H new ATOM 0 HA GLU A 28 4.316 -11.477 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.157 -11.872 -7.396 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.342 -12.941 -8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.726 -9.922 -8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.680 -11.165 -9.716 1.00 0.00 H new ATOM 422 N ARG A 29 4.954 -12.437 -5.333 1.00 0.00 N ATOM 423 CA ARG A 29 4.452 -13.320 -4.297 1.00 0.00 C ATOM 424 C ARG A 29 2.956 -13.131 -4.139 1.00 0.00 C ATOM 425 O ARG A 29 2.202 -14.095 -4.024 1.00 0.00 O ATOM 426 CB ARG A 29 5.158 -13.072 -2.965 1.00 0.00 C ATOM 427 CG ARG A 29 4.632 -14.075 -1.940 1.00 0.00 C ATOM 428 CD ARG A 29 5.305 -13.848 -0.602 1.00 0.00 C ATOM 429 NE ARG A 29 4.739 -14.734 0.395 1.00 0.00 N ATOM 430 CZ ARG A 29 4.904 -14.521 1.686 1.00 0.00 C ATOM 431 NH1 ARG A 29 5.619 -13.509 2.096 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.355 -15.318 2.545 1.00 0.00 N ATOM 0 H ARG A 29 5.637 -11.748 -5.018 1.00 0.00 H new ATOM 0 HA ARG A 29 4.657 -14.348 -4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.236 -13.181 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.976 -12.053 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.552 -13.969 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.821 -15.092 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.377 -14.024 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.177 -12.811 -0.293 1.00 0.00 H new ATOM 0 HE ARG A 29 4.199 -15.544 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.051 -12.882 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.746 -13.345 3.095 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.796 -16.108 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.481 -15.156 3.544 1.00 0.00 H new ATOM 446 N LEU A 30 2.519 -11.884 -4.167 1.00 0.00 N ATOM 447 CA LEU A 30 1.104 -11.593 -4.053 1.00 0.00 C ATOM 448 C LEU A 30 0.403 -12.279 -5.216 1.00 0.00 C ATOM 449 O LEU A 30 -0.568 -13.025 -5.040 1.00 0.00 O ATOM 450 CB LEU A 30 0.884 -10.064 -4.128 1.00 0.00 C ATOM 451 CG LEU A 30 -0.424 -9.644 -3.430 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.559 -10.596 -3.788 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.232 -9.641 -1.910 1.00 0.00 C ATOM 0 H LEU A 30 3.119 -11.065 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 30 0.706 -11.952 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.726 -9.551 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.857 -9.750 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.681 -8.641 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.472 -10.280 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.717 -10.584 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.301 -11.606 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.162 -9.343 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.046 -10.641 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.557 -8.937 -1.644 1.00 0.00 H new ATOM 465 N LYS A 31 1.012 -12.162 -6.383 1.00 0.00 N ATOM 466 CA LYS A 31 0.521 -12.842 -7.565 1.00 0.00 C ATOM 467 C LYS A 31 0.592 -14.360 -7.392 1.00 0.00 C ATOM 468 O LYS A 31 -0.071 -15.105 -8.118 1.00 0.00 O ATOM 469 CB LYS A 31 1.296 -12.389 -8.812 1.00 0.00 C ATOM 470 CG LYS A 31 0.503 -11.287 -9.542 1.00 0.00 C ATOM 471 CD LYS A 31 0.854 -9.903 -8.958 1.00 0.00 C ATOM 472 CE LYS A 31 2.088 -9.283 -9.655 1.00 0.00 C ATOM 473 NZ LYS A 31 2.553 -10.141 -10.773 1.00 0.00 N ATOM 0 H LYS A 31 1.850 -11.600 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.526 -12.573 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.279 -12.015 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.459 -13.236 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.732 -11.309 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.567 -11.471 -9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.000 -9.235 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.049 -9.998 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.837 -8.292 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.893 -9.154 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.473 -9.797 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.651 -11.121 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.861 -10.106 -11.548 1.00 0.00 H new ATOM 487 N ALA A 32 1.307 -14.811 -6.358 1.00 0.00 N ATOM 488 CA ALA A 32 1.338 -16.234 -6.019 1.00 0.00 C ATOM 489 C ALA A 32 0.010 -16.639 -5.406 1.00 0.00 C ATOM 490 O ALA A 32 -0.241 -17.827 -5.158 1.00 0.00 O ATOM 491 CB ALA A 32 2.486 -16.564 -5.058 1.00 0.00 C ATOM 0 H ALA A 32 1.867 -14.217 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 32 1.507 -16.797 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.475 -17.630 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.436 -16.302 -5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.364 -15.995 -4.136 1.00 0.00 H new ATOM 497 N GLY A 33 -0.827 -15.640 -5.136 1.00 0.00 N ATOM 498 CA GLY A 33 -2.133 -15.862 -4.535 1.00 0.00 C ATOM 499 C GLY A 33 -2.059 -15.740 -3.022 1.00 0.00 C ATOM 500 O GLY A 33 -3.024 -16.059 -2.315 1.00 0.00 O ATOM 0 H GLY A 33 -0.618 -14.660 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.847 -15.138 -4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.500 -16.852 -4.807 1.00 0.00 H new ATOM 504 N GLU A 34 -0.920 -15.262 -2.520 1.00 0.00 N ATOM 505 CA GLU A 34 -0.724 -15.093 -1.083 1.00 0.00 C ATOM 506 C GLU A 34 -1.482 -13.886 -0.560 1.00 0.00 C ATOM 507 O GLU A 34 -1.918 -13.026 -1.331 1.00 0.00 O ATOM 508 CB GLU A 34 0.768 -14.967 -0.741 1.00 0.00 C ATOM 509 CG GLU A 34 1.485 -16.279 -1.070 1.00 0.00 C ATOM 510 CD GLU A 34 2.152 -16.826 0.178 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.451 -17.312 1.045 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.352 -16.756 0.260 1.00 0.00 O ATOM 0 H GLU A 34 -0.120 -14.985 -3.089 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.119 -15.984 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.212 -14.147 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.890 -14.730 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.773 -17.005 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.230 -16.112 -1.848 1.00 0.00 H new ATOM 519 N LYS A 35 -1.696 -13.852 0.738 1.00 0.00 N ATOM 520 CA LYS A 35 -2.450 -12.778 1.351 1.00 0.00 C ATOM 521 C LYS A 35 -1.648 -11.512 1.406 1.00 0.00 C ATOM 522 O LYS A 35 -0.509 -11.508 1.855 1.00 0.00 O ATOM 523 CB LYS A 35 -2.867 -13.168 2.760 1.00 0.00 C ATOM 524 CG LYS A 35 -4.207 -13.890 2.731 1.00 0.00 C ATOM 525 CD LYS A 35 -4.510 -14.407 4.145 1.00 0.00 C ATOM 526 CE LYS A 35 -5.855 -15.131 4.166 1.00 0.00 C ATOM 527 NZ LYS A 35 -6.951 -14.144 3.956 1.00 0.00 N ATOM 0 H LYS A 35 -1.357 -14.558 1.392 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.335 -12.604 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.109 -13.811 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.939 -12.278 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.995 -13.214 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.176 -14.718 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.720 -15.084 4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.526 -13.575 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.883 -15.893 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.990 -15.644 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.859 -14.569 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.772 -13.298 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.988 -13.875 2.952 1.00 0.00 H new ATOM 541 N PHE A 36 -2.293 -10.418 1.087 1.00 0.00 N ATOM 542 CA PHE A 36 -1.667 -9.119 1.180 1.00 0.00 C ATOM 543 C PHE A 36 -1.231 -8.895 2.616 1.00 0.00 C ATOM 544 O PHE A 36 -0.105 -8.482 2.885 1.00 0.00 O ATOM 545 CB PHE A 36 -2.657 -8.027 0.763 1.00 0.00 C ATOM 546 CG PHE A 36 -1.917 -6.713 0.597 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.364 -6.377 -0.651 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.775 -5.834 1.683 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.677 -5.169 -0.812 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.083 -4.629 1.520 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.537 -4.295 0.271 1.00 0.00 C ATOM 0 H PHE A 36 -3.258 -10.400 0.758 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.804 -9.077 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.146 -8.302 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.440 -7.924 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.470 -7.053 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.200 -6.088 2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.255 -4.911 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.969 -3.955 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.008 -3.362 0.146 1.00 0.00 H new ATOM 561 N GLY A 37 -2.121 -9.219 3.538 1.00 0.00 N ATOM 562 CA GLY A 37 -1.832 -9.084 4.949 1.00 0.00 C ATOM 563 C GLY A 37 -0.661 -9.960 5.358 1.00 0.00 C ATOM 564 O GLY A 37 0.197 -9.540 6.130 1.00 0.00 O ATOM 0 H GLY A 37 -3.053 -9.579 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.607 -8.042 5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.713 -9.356 5.531 1.00 0.00 H new ATOM 568 N LYS A 38 -0.605 -11.163 4.793 1.00 0.00 N ATOM 569 CA LYS A 38 0.475 -12.098 5.091 1.00 0.00 C ATOM 570 C LYS A 38 1.791 -11.464 4.694 1.00 0.00 C ATOM 571 O LYS A 38 2.715 -11.379 5.495 1.00 0.00 O ATOM 572 CB LYS A 38 0.256 -13.389 4.299 1.00 0.00 C ATOM 573 CG LYS A 38 1.292 -14.457 4.671 1.00 0.00 C ATOM 574 CD LYS A 38 0.990 -15.719 3.853 1.00 0.00 C ATOM 575 CE LYS A 38 1.966 -16.840 4.199 1.00 0.00 C ATOM 576 NZ LYS A 38 1.639 -18.036 3.388 1.00 0.00 N ATOM 0 H LYS A 38 -1.294 -11.513 4.127 1.00 0.00 H new ATOM 0 HA LYS A 38 0.490 -12.332 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.747 -13.770 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.317 -13.177 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.300 -14.099 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.247 -14.675 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.031 -16.048 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.054 -15.491 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.990 -16.521 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.904 -17.078 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.257 -18.825 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.646 -18.302 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.784 -17.823 2.381 1.00 0.00 H new ATOM 590 N LEU A 39 1.804 -10.871 3.519 1.00 0.00 N ATOM 591 CA LEU A 39 2.946 -10.113 3.068 1.00 0.00 C ATOM 592 C LEU A 39 3.181 -8.953 4.022 1.00 0.00 C ATOM 593 O LEU A 39 4.328 -8.613 4.337 1.00 0.00 O ATOM 594 CB LEU A 39 2.690 -9.540 1.657 1.00 0.00 C ATOM 595 CG LEU A 39 2.982 -10.571 0.546 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.473 -10.569 0.219 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.542 -11.980 0.964 1.00 0.00 C ATOM 0 H LEU A 39 1.029 -10.901 2.856 1.00 0.00 H new ATOM 0 HA LEU A 39 3.814 -10.772 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.653 -9.212 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.314 -8.659 1.506 1.00 0.00 H new ATOM 0 HG LEU A 39 2.412 -10.288 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.674 -11.298 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.769 -9.577 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.042 -10.830 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.761 -12.683 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.081 -12.278 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.471 -11.982 1.166 1.00 0.00 H new ATOM 609 N ALA A 40 2.092 -8.304 4.431 1.00 0.00 N ATOM 610 CA ALA A 40 2.201 -7.138 5.260 1.00 0.00 C ATOM 611 C ALA A 40 2.864 -7.446 6.585 1.00 0.00 C ATOM 612 O ALA A 40 3.836 -6.798 6.953 1.00 0.00 O ATOM 613 CB ALA A 40 0.842 -6.501 5.497 1.00 0.00 C ATOM 0 H ALA A 40 1.137 -8.575 4.196 1.00 0.00 H new ATOM 0 HA ALA A 40 2.832 -6.430 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.958 -5.620 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.406 -6.208 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.186 -7.217 5.991 1.00 0.00 H new ATOM 619 N LYS A 41 2.351 -8.432 7.296 1.00 0.00 N ATOM 620 CA LYS A 41 2.930 -8.795 8.582 1.00 0.00 C ATOM 621 C LYS A 41 4.299 -9.420 8.399 1.00 0.00 C ATOM 622 O LYS A 41 5.177 -9.269 9.241 1.00 0.00 O ATOM 623 CB LYS A 41 1.999 -9.711 9.406 1.00 0.00 C ATOM 624 CG LYS A 41 1.414 -10.836 8.536 1.00 0.00 C ATOM 625 CD LYS A 41 -0.118 -10.771 8.562 1.00 0.00 C ATOM 626 CE LYS A 41 -0.654 -11.285 9.908 1.00 0.00 C ATOM 627 NZ LYS A 41 -2.081 -10.888 10.057 1.00 0.00 N ATOM 0 H LYS A 41 1.546 -8.991 7.013 1.00 0.00 H new ATOM 0 HA LYS A 41 3.049 -7.875 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.554 -10.143 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.189 -9.120 9.834 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.774 -10.740 7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.752 -11.805 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.447 -9.745 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.527 -11.369 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.560 -12.370 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.064 -10.875 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.478 -11.334 10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.146 -9.854 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.617 -11.199 9.222 1.00 0.00 H new ATOM 641 N GLU A 42 4.472 -10.133 7.299 1.00 0.00 N ATOM 642 CA GLU A 42 5.738 -10.778 7.032 1.00 0.00 C ATOM 643 C GLU A 42 6.859 -9.789 6.670 1.00 0.00 C ATOM 644 O GLU A 42 8.009 -9.983 7.081 1.00 0.00 O ATOM 645 CB GLU A 42 5.594 -11.859 5.956 1.00 0.00 C ATOM 646 CG GLU A 42 4.904 -13.091 6.563 1.00 0.00 C ATOM 647 CD GLU A 42 4.800 -14.210 5.539 1.00 0.00 C ATOM 648 OE1 GLU A 42 5.365 -14.078 4.481 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.183 -15.202 5.836 1.00 0.00 O ATOM 0 H GLU A 42 3.758 -10.277 6.585 1.00 0.00 H new ATOM 0 HA GLU A 42 6.037 -11.254 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.011 -11.478 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.574 -12.132 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.465 -13.437 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.909 -12.820 6.914 1.00 0.00 H new ATOM 656 N LEU A 43 6.550 -8.780 5.864 1.00 0.00 N ATOM 657 CA LEU A 43 7.572 -7.818 5.414 1.00 0.00 C ATOM 658 C LEU A 43 7.457 -6.489 6.116 1.00 0.00 C ATOM 659 O LEU A 43 8.427 -5.997 6.695 1.00 0.00 O ATOM 660 CB LEU A 43 7.431 -7.542 3.923 1.00 0.00 C ATOM 661 CG LEU A 43 7.946 -8.707 3.106 1.00 0.00 C ATOM 662 CD1 LEU A 43 6.781 -9.641 2.784 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.538 -8.149 1.818 1.00 0.00 C ATOM 0 H LEU A 43 5.612 -8.600 5.507 1.00 0.00 H new ATOM 0 HA LEU A 43 8.534 -8.276 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.384 -7.358 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.982 -6.638 3.663 1.00 0.00 H new ATOM 0 HG LEU A 43 8.705 -9.265 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.143 -10.484 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.342 -10.008 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.026 -9.098 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.918 -8.968 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.767 -7.612 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.353 -7.467 2.058 1.00 0.00 H new ATOM 675 N SER A 44 6.367 -5.805 5.803 1.00 0.00 N ATOM 676 CA SER A 44 6.187 -4.399 6.122 1.00 0.00 C ATOM 677 C SER A 44 6.982 -3.962 7.327 1.00 0.00 C ATOM 678 O SER A 44 6.784 -4.463 8.438 1.00 0.00 O ATOM 679 CB SER A 44 4.723 -4.085 6.292 1.00 0.00 C ATOM 680 OG SER A 44 3.985 -4.914 5.428 1.00 0.00 O ATOM 0 H SER A 44 5.573 -6.217 5.314 1.00 0.00 H new ATOM 0 HA SER A 44 6.577 -3.828 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.418 -4.248 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.532 -3.036 6.065 1.00 0.00 H new ATOM 0 HG SER A 44 3.114 -4.503 5.245 1.00 0.00 H new ATOM 686 N ILE A 45 7.899 -3.048 7.091 1.00 0.00 N ATOM 687 CA ILE A 45 8.779 -2.555 8.122 1.00 0.00 C ATOM 688 C ILE A 45 8.182 -1.335 8.815 1.00 0.00 C ATOM 689 O ILE A 45 8.759 -0.816 9.779 1.00 0.00 O ATOM 690 CB ILE A 45 10.163 -2.236 7.528 1.00 0.00 C ATOM 691 CG1 ILE A 45 10.035 -1.157 6.448 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.747 -3.505 6.893 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.423 -0.736 5.976 1.00 0.00 C ATOM 0 H ILE A 45 8.053 -2.626 6.175 1.00 0.00 H new ATOM 0 HA ILE A 45 8.899 -3.332 8.877 1.00 0.00 H new ATOM 0 HB ILE A 45 10.816 -1.878 8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.454 -1.537 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.498 -0.295 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.727 -3.283 6.471 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.846 -4.280 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.083 -3.855 6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.329 0.032 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.989 -0.339 6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.945 -1.600 5.564 1.00 0.00 H new ATOM 705 N ASP A 46 7.012 -0.895 8.345 1.00 0.00 N ATOM 706 CA ASP A 46 6.349 0.258 8.947 1.00 0.00 C ATOM 707 C ASP A 46 5.687 -0.128 10.265 1.00 0.00 C ATOM 708 O ASP A 46 5.811 -1.260 10.722 1.00 0.00 O ATOM 709 CB ASP A 46 5.310 0.866 7.991 1.00 0.00 C ATOM 710 CG ASP A 46 4.040 0.046 7.998 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.243 0.236 8.895 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.870 -0.744 7.103 1.00 0.00 O ATOM 0 H ASP A 46 6.512 -1.314 7.561 1.00 0.00 H new ATOM 0 HA ASP A 46 7.112 1.011 9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.090 1.891 8.288 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.717 0.908 6.981 1.00 0.00 H new ATOM 717 N GLY A 47 5.056 0.840 10.903 1.00 0.00 N ATOM 718 CA GLY A 47 4.433 0.641 12.205 1.00 0.00 C ATOM 719 C GLY A 47 3.044 0.017 12.105 1.00 0.00 C ATOM 720 O GLY A 47 2.888 -1.142 11.707 1.00 0.00 O ATOM 0 H GLY A 47 4.959 1.787 10.536 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.071 0.001 12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.360 1.600 12.718 1.00 0.00 H new ATOM 724 N GLY A 48 2.053 0.750 12.581 1.00 0.00 N ATOM 725 CA GLY A 48 0.703 0.231 12.712 1.00 0.00 C ATOM 726 C GLY A 48 0.224 -0.438 11.444 1.00 0.00 C ATOM 727 O GLY A 48 -0.348 -1.528 11.495 1.00 0.00 O ATOM 0 H GLY A 48 2.160 1.717 12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.669 -0.484 13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.026 1.045 12.970 1.00 0.00 H new ATOM 731 N SER A 49 0.488 0.172 10.304 1.00 0.00 N ATOM 732 CA SER A 49 0.035 -0.412 9.064 1.00 0.00 C ATOM 733 C SER A 49 0.630 -1.804 8.854 1.00 0.00 C ATOM 734 O SER A 49 -0.070 -2.725 8.412 1.00 0.00 O ATOM 735 CB SER A 49 0.361 0.509 7.888 1.00 0.00 C ATOM 736 OG SER A 49 1.284 1.510 8.301 1.00 0.00 O ATOM 0 H SER A 49 1.001 1.049 10.214 1.00 0.00 H new ATOM 0 HA SER A 49 -1.048 -0.526 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.782 -0.070 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.551 0.974 7.515 1.00 0.00 H new ATOM 0 HG SER A 49 2.077 1.084 8.688 1.00 0.00 H new ATOM 742 N ALA A 50 1.857 -1.993 9.306 1.00 0.00 N ATOM 743 CA ALA A 50 2.483 -3.302 9.247 1.00 0.00 C ATOM 744 C ALA A 50 1.722 -4.260 10.137 1.00 0.00 C ATOM 745 O ALA A 50 1.546 -5.437 9.814 1.00 0.00 O ATOM 746 CB ALA A 50 3.944 -3.224 9.682 1.00 0.00 C ATOM 0 H ALA A 50 2.437 -1.261 9.716 1.00 0.00 H new ATOM 0 HA ALA A 50 2.457 -3.661 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.393 -4.216 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.485 -2.546 9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.000 -2.854 10.706 1.00 0.00 H new ATOM 752 N LYS A 51 1.262 -3.749 11.259 1.00 0.00 N ATOM 753 CA LYS A 51 0.488 -4.541 12.201 1.00 0.00 C ATOM 754 C LYS A 51 -0.981 -4.580 11.818 1.00 0.00 C ATOM 755 O LYS A 51 -1.749 -5.368 12.361 1.00 0.00 O ATOM 756 CB LYS A 51 0.686 -4.025 13.625 1.00 0.00 C ATOM 757 CG LYS A 51 1.878 -4.768 14.250 1.00 0.00 C ATOM 758 CD LYS A 51 3.028 -3.798 14.521 1.00 0.00 C ATOM 759 CE LYS A 51 4.352 -4.569 14.457 1.00 0.00 C ATOM 760 NZ LYS A 51 4.236 -5.829 15.245 1.00 0.00 N ATOM 0 H LYS A 51 1.410 -2.781 11.546 1.00 0.00 H new ATOM 0 HA LYS A 51 0.854 -5.567 12.163 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.871 -2.951 13.617 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.215 -4.189 14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.570 -5.246 15.180 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.212 -5.560 13.580 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.024 -2.994 13.786 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.908 -3.335 15.500 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.601 -4.798 13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.161 -3.955 14.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.182 -6.139 15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.644 -5.661 16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.801 -6.568 14.656 1.00 0.00 H new ATOM 774 N ARG A 52 -1.343 -3.796 10.822 1.00 0.00 N ATOM 775 CA ARG A 52 -2.700 -3.802 10.288 1.00 0.00 C ATOM 776 C ARG A 52 -2.763 -4.687 9.065 1.00 0.00 C ATOM 777 O ARG A 52 -3.576 -4.460 8.175 1.00 0.00 O ATOM 778 CB ARG A 52 -3.141 -2.392 9.889 1.00 0.00 C ATOM 779 CG ARG A 52 -3.378 -1.528 11.125 1.00 0.00 C ATOM 780 CD ARG A 52 -3.735 -0.117 10.657 1.00 0.00 C ATOM 781 NE ARG A 52 -4.944 -0.166 9.833 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.129 0.290 10.245 1.00 0.00 C ATOM 783 NH1 ARG A 52 -6.257 0.840 11.428 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.158 0.176 9.459 1.00 0.00 N ATOM 0 H ARG A 52 -0.714 -3.140 10.360 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.364 -4.178 11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.379 -1.932 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.054 -2.446 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.183 -1.943 11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.486 -1.507 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.895 0.533 11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.910 0.308 10.085 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.878 -0.568 8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.447 0.922 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.167 1.186 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.053 -0.257 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.070 0.520 9.760 1.00 0.00 H new ATOM 798 N ASP A 53 -1.804 -5.580 8.936 1.00 0.00 N ATOM 799 CA ASP A 53 -1.687 -6.397 7.738 1.00 0.00 C ATOM 800 C ASP A 53 -1.588 -5.467 6.545 1.00 0.00 C ATOM 801 O ASP A 53 -2.083 -5.771 5.454 1.00 0.00 O ATOM 802 CB ASP A 53 -2.925 -7.292 7.541 1.00 0.00 C ATOM 803 CG ASP A 53 -3.060 -8.357 8.610 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.158 -8.520 9.401 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.072 -9.016 8.620 1.00 0.00 O ATOM 0 H ASP A 53 -1.092 -5.761 9.644 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.808 -7.034 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.820 -6.670 7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.869 -7.771 6.563 1.00 0.00 H new ATOM 810 N GLY A 54 -1.033 -4.298 6.777 1.00 0.00 N ATOM 811 CA GLY A 54 -0.925 -3.292 5.746 1.00 0.00 C ATOM 812 C GLY A 54 -2.263 -2.606 5.485 1.00 0.00 C ATOM 813 O GLY A 54 -2.305 -1.572 4.815 1.00 0.00 O ATOM 0 H GLY A 54 -0.647 -4.020 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.185 -2.547 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.566 -3.752 4.825 1.00 0.00 H new ATOM 817 N SER A 55 -3.366 -3.171 5.998 1.00 0.00 N ATOM 818 CA SER A 55 -4.680 -2.591 5.732 1.00 0.00 C ATOM 819 C SER A 55 -4.842 -1.226 6.367 1.00 0.00 C ATOM 820 O SER A 55 -5.221 -1.091 7.541 1.00 0.00 O ATOM 821 CB SER A 55 -5.843 -3.539 6.083 1.00 0.00 C ATOM 822 OG SER A 55 -5.720 -4.037 7.408 1.00 0.00 O ATOM 0 H SER A 55 -3.372 -4.006 6.583 1.00 0.00 H new ATOM 0 HA SER A 55 -4.729 -2.447 4.653 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.790 -3.011 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.862 -4.371 5.379 1.00 0.00 H new ATOM 0 HG SER A 55 -4.875 -3.728 7.796 1.00 0.00 H new ATOM 828 N LEU A 56 -4.574 -0.215 5.571 1.00 0.00 N ATOM 829 CA LEU A 56 -4.714 1.159 5.976 1.00 0.00 C ATOM 830 C LEU A 56 -6.167 1.444 6.228 1.00 0.00 C ATOM 831 O LEU A 56 -6.515 2.268 7.077 1.00 0.00 O ATOM 832 CB LEU A 56 -4.193 2.071 4.861 1.00 0.00 C ATOM 833 CG LEU A 56 -2.691 1.832 4.675 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.204 2.575 3.446 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.924 2.327 5.900 1.00 0.00 C ATOM 0 H LEU A 56 -4.248 -0.330 4.611 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.141 1.342 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.724 1.868 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.379 3.115 5.112 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.518 0.763 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.135 2.403 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.739 2.214 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.387 3.642 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.858 2.152 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.102 3.394 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.264 1.789 6.784 1.00 0.00 H new ATOM 847 N GLY A 57 -7.005 0.867 5.391 1.00 0.00 N ATOM 848 CA GLY A 57 -8.427 1.148 5.419 1.00 0.00 C ATOM 849 C GLY A 57 -8.706 2.294 4.478 1.00 0.00 C ATOM 850 O GLY A 57 -7.987 2.461 3.487 1.00 0.00 O ATOM 0 H GLY A 57 -6.723 0.195 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.994 0.266 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.743 1.403 6.431 1.00 0.00 H new ATOM 854 N TYR A 58 -9.691 3.121 4.804 1.00 0.00 N ATOM 855 CA TYR A 58 -9.991 4.287 3.979 1.00 0.00 C ATOM 856 C TYR A 58 -9.118 5.473 4.357 1.00 0.00 C ATOM 857 O TYR A 58 -8.924 5.764 5.538 1.00 0.00 O ATOM 858 CB TYR A 58 -11.478 4.698 4.059 1.00 0.00 C ATOM 859 CG TYR A 58 -12.054 4.401 5.431 1.00 0.00 C ATOM 860 CD1 TYR A 58 -11.814 5.275 6.503 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.841 3.259 5.628 1.00 0.00 C ATOM 862 CE1 TYR A 58 -12.359 5.012 7.756 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.377 2.995 6.884 1.00 0.00 C ATOM 864 CZ TYR A 58 -13.140 3.874 7.949 1.00 0.00 C ATOM 865 OH TYR A 58 -13.671 3.609 9.186 1.00 0.00 O ATOM 0 H TYR A 58 -10.290 3.010 5.622 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.774 3.994 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.577 5.762 3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.048 4.164 3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.205 6.154 6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.031 2.585 4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.177 5.689 8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.977 2.111 7.039 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.190 2.779 9.148 1.00 0.00 H new ATOM 875 N PHE A 59 -8.688 6.210 3.356 1.00 0.00 N ATOM 876 CA PHE A 59 -7.995 7.468 3.578 1.00 0.00 C ATOM 877 C PHE A 59 -8.323 8.425 2.453 1.00 0.00 C ATOM 878 O PHE A 59 -8.585 7.994 1.329 1.00 0.00 O ATOM 879 CB PHE A 59 -6.467 7.274 3.690 1.00 0.00 C ATOM 880 CG PHE A 59 -5.883 6.741 2.393 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.520 7.635 1.380 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.695 5.366 2.217 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.969 7.149 0.193 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.137 4.884 1.036 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.774 5.775 0.021 1.00 0.00 C ATOM 0 H PHE A 59 -8.805 5.961 2.374 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.336 7.881 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.995 8.224 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.244 6.583 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.665 8.697 1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.983 4.678 2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.693 7.835 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.985 3.823 0.904 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.343 5.402 -0.896 1.00 0.00 H new ATOM 895 N GLY A 60 -8.288 9.712 2.739 1.00 0.00 N ATOM 896 CA GLY A 60 -8.536 10.713 1.718 1.00 0.00 C ATOM 897 C GLY A 60 -7.226 11.300 1.243 1.00 0.00 C ATOM 898 O GLY A 60 -6.156 10.992 1.792 1.00 0.00 O ATOM 0 H GLY A 60 -8.091 10.089 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.069 10.265 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.174 11.501 2.117 1.00 0.00 H new ATOM 902 N ARG A 61 -7.298 12.179 0.270 1.00 0.00 N ATOM 903 CA ARG A 61 -6.118 12.828 -0.240 1.00 0.00 C ATOM 904 C ARG A 61 -5.550 13.785 0.783 1.00 0.00 C ATOM 905 O ARG A 61 -6.290 14.449 1.509 1.00 0.00 O ATOM 906 CB ARG A 61 -6.442 13.555 -1.551 1.00 0.00 C ATOM 907 CG ARG A 61 -6.684 12.515 -2.646 1.00 0.00 C ATOM 908 CD ARG A 61 -7.020 13.200 -3.975 1.00 0.00 C ATOM 909 NE ARG A 61 -8.323 13.852 -3.903 1.00 0.00 N ATOM 910 CZ ARG A 61 -9.461 13.149 -3.938 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.418 11.838 -3.985 1.00 0.00 N ATOM 912 NH2 ARG A 61 -10.603 13.756 -3.934 1.00 0.00 N ATOM 0 H ARG A 61 -8.167 12.460 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.362 12.070 -0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.324 14.183 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.619 14.213 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.798 11.892 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.501 11.855 -2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.252 13.936 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.020 12.465 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.368 14.868 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.518 11.357 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.284 11.300 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.639 14.775 -3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.468 13.216 -3.961 1.00 0.00 H new ATOM 926 N GLY A 62 -4.247 13.844 0.844 1.00 0.00 N ATOM 927 CA GLY A 62 -3.566 14.708 1.781 1.00 0.00 C ATOM 928 C GLY A 62 -2.985 13.913 2.938 1.00 0.00 C ATOM 929 O GLY A 62 -1.875 14.189 3.397 1.00 0.00 O ATOM 0 H GLY A 62 -3.625 13.297 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.768 15.247 1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.262 15.455 2.163 1.00 0.00 H new ATOM 933 N LYS A 63 -3.695 12.885 3.371 1.00 0.00 N ATOM 934 CA LYS A 63 -3.204 12.043 4.457 1.00 0.00 C ATOM 935 C LYS A 63 -1.924 11.345 4.056 1.00 0.00 C ATOM 936 O LYS A 63 -1.027 11.141 4.878 1.00 0.00 O ATOM 937 CB LYS A 63 -4.233 10.972 4.834 1.00 0.00 C ATOM 938 CG LYS A 63 -5.437 11.587 5.541 1.00 0.00 C ATOM 939 CD LYS A 63 -6.401 10.453 5.923 1.00 0.00 C ATOM 940 CE LYS A 63 -7.563 11.015 6.730 1.00 0.00 C ATOM 941 NZ LYS A 63 -7.107 11.289 8.115 1.00 0.00 N ATOM 0 H LYS A 63 -4.603 12.613 2.995 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.023 12.696 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.563 10.449 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.768 10.229 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.119 12.131 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.934 12.305 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.774 9.962 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.875 9.696 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.933 11.930 6.268 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.391 10.306 6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.931 11.477 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.590 10.464 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.480 12.118 8.116 1.00 0.00 H new ATOM 955 N MET A 64 -1.896 10.872 2.831 1.00 0.00 N ATOM 956 CA MET A 64 -0.794 10.053 2.352 1.00 0.00 C ATOM 957 C MET A 64 0.213 10.893 1.586 1.00 0.00 C ATOM 958 O MET A 64 -0.117 11.975 1.090 1.00 0.00 O ATOM 959 CB MET A 64 -1.336 8.945 1.445 1.00 0.00 C ATOM 960 CG MET A 64 -2.568 8.311 2.103 1.00 0.00 C ATOM 961 SD MET A 64 -2.136 7.698 3.749 1.00 0.00 S ATOM 962 CE MET A 64 -1.814 5.981 3.283 1.00 0.00 C ATOM 0 H MET A 64 -2.627 11.039 2.140 1.00 0.00 H new ATOM 0 HA MET A 64 -0.291 9.613 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.600 9.354 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.569 8.189 1.277 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.370 9.045 2.177 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.941 7.493 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.736 5.369 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.631 5.613 2.663 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.880 5.925 2.723 1.00 0.00 H new ATOM 972 N VAL A 65 1.419 10.381 1.453 1.00 0.00 N ATOM 973 CA VAL A 65 2.435 11.067 0.677 1.00 0.00 C ATOM 974 C VAL A 65 2.088 10.983 -0.808 1.00 0.00 C ATOM 975 O VAL A 65 1.478 10.002 -1.259 1.00 0.00 O ATOM 976 CB VAL A 65 3.840 10.493 0.960 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.140 10.564 2.459 1.00 0.00 C ATOM 978 CG2 VAL A 65 3.929 9.031 0.507 1.00 0.00 C ATOM 0 H VAL A 65 1.720 9.499 1.868 1.00 0.00 H new ATOM 0 HA VAL A 65 2.455 12.116 0.973 1.00 0.00 H new ATOM 0 HB VAL A 65 4.567 11.086 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.133 10.157 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.103 11.602 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.398 9.983 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.927 8.646 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.191 8.437 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.732 8.969 -0.563 1.00 0.00 H new ATOM 988 N LYS A 66 2.392 12.041 -1.544 1.00 0.00 N ATOM 989 CA LYS A 66 2.013 12.137 -2.951 1.00 0.00 C ATOM 990 C LYS A 66 2.278 10.842 -3.711 1.00 0.00 C ATOM 991 O LYS A 66 1.383 10.328 -4.392 1.00 0.00 O ATOM 992 CB LYS A 66 2.713 13.319 -3.644 1.00 0.00 C ATOM 993 CG LYS A 66 1.734 14.490 -3.781 1.00 0.00 C ATOM 994 CD LYS A 66 1.417 15.073 -2.398 1.00 0.00 C ATOM 995 CE LYS A 66 0.157 15.939 -2.482 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.901 15.213 -3.229 1.00 0.00 N ATOM 0 H LYS A 66 2.903 12.850 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 66 0.938 12.315 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.585 13.627 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.072 13.016 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.164 15.261 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.816 14.153 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.270 14.268 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.257 15.669 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.195 16.184 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.385 16.882 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.831 15.614 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.733 15.310 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.881 14.206 -2.969 1.00 0.00 H new ATOM 1010 N PRO A 67 3.471 10.300 -3.625 1.00 0.00 N ATOM 1011 CA PRO A 67 3.783 9.033 -4.362 1.00 0.00 C ATOM 1012 C PRO A 67 2.775 7.946 -4.001 1.00 0.00 C ATOM 1013 O PRO A 67 2.259 7.228 -4.865 1.00 0.00 O ATOM 1014 CB PRO A 67 5.162 8.641 -3.824 1.00 0.00 C ATOM 1015 CG PRO A 67 5.793 9.926 -3.399 1.00 0.00 C ATOM 1016 CD PRO A 67 4.658 10.824 -2.907 1.00 0.00 C ATOM 0 HA PRO A 67 3.751 9.156 -5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.076 7.948 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.757 8.144 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.524 9.757 -2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.324 10.391 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.535 10.760 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.842 11.872 -3.145 1.00 0.00 H new ATOM 1024 N PHE A 68 2.474 7.868 -2.724 1.00 0.00 N ATOM 1025 CA PHE A 68 1.523 6.904 -2.217 1.00 0.00 C ATOM 1026 C PHE A 68 0.162 7.159 -2.820 1.00 0.00 C ATOM 1027 O PHE A 68 -0.501 6.237 -3.306 1.00 0.00 O ATOM 1028 CB PHE A 68 1.447 6.985 -0.694 1.00 0.00 C ATOM 1029 CG PHE A 68 0.657 5.818 -0.174 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.745 5.862 -0.156 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.330 4.684 0.291 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.465 4.768 0.328 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.608 3.598 0.770 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.789 3.636 0.787 1.00 0.00 C ATOM 0 H PHE A 68 2.881 8.470 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 68 1.853 5.903 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.450 6.979 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.977 7.921 -0.391 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.265 6.738 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.409 4.652 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.544 4.797 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.128 2.722 1.130 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.347 2.788 1.156 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.242 8.429 -2.824 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.522 8.811 -3.395 1.00 0.00 C ATOM 1046 C GLU A 69 -1.525 8.460 -4.872 1.00 0.00 C ATOM 1047 O GLU A 69 -2.503 7.922 -5.407 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.731 10.322 -3.273 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.894 10.753 -1.816 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.050 12.264 -1.755 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.319 12.946 -2.454 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.897 12.732 -1.021 1.00 0.00 O ATOM 0 H GLU A 69 0.299 9.203 -2.439 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.314 8.285 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.882 10.844 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.615 10.614 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.765 10.268 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.027 10.441 -1.233 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.414 8.746 -5.517 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.275 8.501 -6.933 1.00 0.00 C ATOM 1061 C ASP A 70 -0.554 7.054 -7.274 1.00 0.00 C ATOM 1062 O ASP A 70 -1.321 6.769 -8.186 1.00 0.00 O ATOM 1063 CB ASP A 70 1.131 8.886 -7.398 1.00 0.00 C ATOM 1064 CG ASP A 70 1.365 8.374 -8.786 1.00 0.00 C ATOM 1065 OD1 ASP A 70 0.684 8.817 -9.679 1.00 0.00 O ATOM 1066 OD2 ASP A 70 2.212 7.527 -8.946 1.00 0.00 O ATOM 0 H ASP A 70 0.412 9.152 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.009 9.117 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.247 9.970 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.875 8.472 -6.718 1.00 0.00 H new ATOM 1071 N ALA A 71 0.057 6.148 -6.542 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.168 4.733 -6.798 1.00 0.00 C ATOM 1073 C ALA A 71 -1.571 4.314 -6.372 1.00 0.00 C ATOM 1074 O ALA A 71 -2.258 3.595 -7.099 1.00 0.00 O ATOM 1075 CB ALA A 71 0.877 3.871 -6.086 1.00 0.00 C ATOM 0 H ALA A 71 0.702 6.354 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.072 4.576 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.684 2.819 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.872 4.136 -6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.820 4.044 -5.011 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.970 4.727 -5.177 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.265 4.329 -4.628 1.00 0.00 C ATOM 1083 C ALA A 72 -4.411 4.787 -5.506 1.00 0.00 C ATOM 1084 O ALA A 72 -5.307 4.010 -5.830 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.444 4.903 -3.223 1.00 0.00 C ATOM 0 H ALA A 72 -1.421 5.335 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.279 3.240 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.413 4.599 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.652 4.529 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.395 5.991 -3.266 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.405 6.064 -5.850 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.480 6.635 -6.648 1.00 0.00 C ATOM 1093 C PHE A 73 -5.518 6.083 -8.068 1.00 0.00 C ATOM 1094 O PHE A 73 -6.597 5.804 -8.603 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.448 8.169 -6.628 1.00 0.00 C ATOM 1096 CG PHE A 73 -5.972 8.645 -5.288 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.353 8.670 -5.054 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.086 9.037 -4.277 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.851 9.084 -3.819 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.581 9.454 -3.041 1.00 0.00 C ATOM 1101 CZ PHE A 73 -6.966 9.475 -2.809 1.00 0.00 C ATOM 0 H PHE A 73 -3.671 6.724 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.413 6.324 -6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.431 8.528 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.058 8.571 -7.437 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.036 8.367 -5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.021 9.017 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.916 9.103 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.899 9.761 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.348 9.793 -1.850 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.363 5.882 -8.671 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.335 5.307 -10.007 1.00 0.00 C ATOM 1113 C ARG A 74 -4.896 3.895 -10.010 1.00 0.00 C ATOM 1114 O ARG A 74 -5.568 3.490 -10.961 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.922 5.297 -10.592 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.501 6.714 -10.985 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.106 6.654 -11.609 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.082 6.450 -10.597 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.615 5.314 -10.505 1.00 0.00 C ATOM 1120 NH1 ARG A 74 0.238 4.254 -11.166 1.00 0.00 N ATOM 1121 NH2 ARG A 74 1.658 5.261 -9.738 1.00 0.00 N ATOM 0 H ARG A 74 -3.450 6.101 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.963 5.941 -10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.222 4.891 -9.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.887 4.645 -11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.214 7.138 -11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.496 7.364 -10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.066 5.845 -12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.907 7.580 -12.149 1.00 0.00 H new ATOM 0 HE ARG A 74 0.111 7.201 -9.934 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.593 4.290 -11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.774 3.389 -11.092 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.944 6.084 -9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.193 4.396 -9.664 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.579 3.136 -8.977 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.983 1.737 -8.925 1.00 0.00 C ATOM 1137 C LEU A 75 -6.255 1.537 -8.132 1.00 0.00 C ATOM 1138 O LEU A 75 -6.490 0.453 -7.603 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.869 0.835 -8.397 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.608 1.025 -9.250 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.485 0.152 -8.710 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.893 0.655 -10.715 1.00 0.00 C ATOM 0 H LEU A 75 -4.048 3.458 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.187 1.444 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.656 1.075 -7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.186 -0.207 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.308 2.072 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.592 0.290 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.269 0.434 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.789 -0.894 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.989 0.795 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.207 -0.387 -10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.685 1.295 -11.104 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.120 2.532 -8.128 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.424 2.373 -7.498 1.00 0.00 C ATOM 1156 C GLN A 76 -9.099 1.118 -8.054 1.00 0.00 C ATOM 1157 O GLN A 76 -10.012 0.553 -7.444 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.295 3.612 -7.740 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.924 4.701 -6.729 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.984 4.769 -5.627 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.164 3.799 -4.874 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -10.705 5.840 -5.493 1.00 0.00 N ATOM 0 H GLN A 76 -6.952 3.447 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.295 2.264 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.150 3.979 -8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.349 3.354 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.947 4.489 -6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.846 5.665 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.556 6.636 -6.113 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.421 5.885 -4.768 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.627 0.687 -9.214 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.123 -0.514 -9.858 1.00 0.00 C ATOM 1173 C VAL A 77 -8.850 -1.759 -8.986 1.00 0.00 C ATOM 1174 O VAL A 77 -9.644 -2.704 -8.975 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.490 -0.656 -11.254 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.978 -0.884 -11.148 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.138 -1.821 -12.002 1.00 0.00 C ATOM 0 H VAL A 77 -7.889 1.162 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.203 -0.432 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.661 0.269 -11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.554 -0.981 -12.147 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.517 -0.037 -10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.786 -1.796 -10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.686 -1.916 -12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.984 -2.743 -11.442 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.207 -1.635 -12.109 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.750 -1.735 -8.217 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.428 -2.846 -7.301 1.00 0.00 C ATOM 1189 C GLY A 78 -6.111 -3.533 -7.629 1.00 0.00 C ATOM 1190 O GLY A 78 -5.687 -4.450 -6.904 1.00 0.00 O ATOM 0 H GLY A 78 -7.075 -0.970 -8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.387 -2.466 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.232 -3.581 -7.336 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.470 -3.117 -8.705 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.235 -3.753 -9.137 1.00 0.00 C ATOM 1196 C GLU A 79 -3.114 -3.491 -8.132 1.00 0.00 C ATOM 1197 O GLU A 79 -3.125 -2.473 -7.432 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.837 -3.242 -10.527 1.00 0.00 C ATOM 1199 CG GLU A 79 -2.944 -4.278 -11.220 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.754 -5.491 -11.655 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -4.933 -5.345 -11.882 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -3.182 -6.546 -11.774 1.00 0.00 O ATOM 0 H GLU A 79 -5.780 -2.345 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.400 -4.829 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.728 -3.057 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.309 -2.293 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.463 -3.827 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.150 -4.590 -10.542 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.140 -4.400 -8.070 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.013 -4.204 -7.179 1.00 0.00 C ATOM 1211 C VAL A 80 -0.155 -3.087 -7.728 1.00 0.00 C ATOM 1212 O VAL A 80 0.193 -3.082 -8.919 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.150 -5.475 -7.054 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.001 -5.217 -6.072 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.986 -6.645 -6.545 1.00 0.00 C ATOM 0 H VAL A 80 -2.114 -5.260 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.400 -3.960 -6.189 1.00 0.00 H new ATOM 0 HB VAL A 80 0.245 -5.724 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.612 -6.115 -5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.616 -4.395 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.594 -4.957 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.358 -7.532 -6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.396 -6.400 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.801 -6.840 -7.242 1.00 0.00 H new ATOM 1225 N SER A 81 0.206 -2.167 -6.878 1.00 0.00 N ATOM 1226 CA SER A 81 1.049 -1.077 -7.278 1.00 0.00 C ATOM 1227 C SER A 81 2.489 -1.528 -7.429 1.00 0.00 C ATOM 1228 O SER A 81 2.935 -2.473 -6.763 1.00 0.00 O ATOM 1229 CB SER A 81 0.942 0.044 -6.253 1.00 0.00 C ATOM 1230 OG SER A 81 1.052 -0.521 -4.952 1.00 0.00 O ATOM 0 H SER A 81 -0.073 -2.151 -5.897 1.00 0.00 H new ATOM 0 HA SER A 81 0.716 -0.711 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.729 0.780 -6.414 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.009 0.566 -6.360 1.00 0.00 H new ATOM 0 HG SER A 81 0.191 -0.910 -4.691 1.00 0.00 H new ATOM 1236 N GLU A 82 3.233 -0.796 -8.234 1.00 0.00 N ATOM 1237 CA GLU A 82 4.653 -1.018 -8.368 1.00 0.00 C ATOM 1238 C GLU A 82 5.323 -0.460 -7.139 1.00 0.00 C ATOM 1239 O GLU A 82 4.673 0.228 -6.352 1.00 0.00 O ATOM 1240 CB GLU A 82 5.170 -0.326 -9.629 1.00 0.00 C ATOM 1241 CG GLU A 82 4.480 -0.921 -10.859 1.00 0.00 C ATOM 1242 CD GLU A 82 3.118 -0.298 -11.041 1.00 0.00 C ATOM 1243 OE1 GLU A 82 3.061 0.853 -11.413 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.151 -0.970 -10.796 1.00 0.00 O ATOM 0 H GLU A 82 2.870 -0.036 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 82 4.872 -2.082 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.977 0.745 -9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.250 -0.452 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.089 -0.748 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.382 -2.001 -10.744 1.00 0.00 H new ATOM 1251 N PRO A 83 6.594 -0.674 -6.959 1.00 0.00 N ATOM 1252 CA PRO A 83 7.251 -0.113 -5.755 1.00 0.00 C ATOM 1253 C PRO A 83 6.998 1.389 -5.705 1.00 0.00 C ATOM 1254 O PRO A 83 7.204 2.079 -6.698 1.00 0.00 O ATOM 1255 CB PRO A 83 8.738 -0.383 -6.009 1.00 0.00 C ATOM 1256 CG PRO A 83 8.781 -1.581 -6.897 1.00 0.00 C ATOM 1257 CD PRO A 83 7.516 -1.530 -7.747 1.00 0.00 C ATOM 0 HA PRO A 83 6.893 -0.540 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.217 0.474 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.268 -0.568 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.672 -1.568 -7.525 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.818 -2.499 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.713 -1.106 -8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.100 -2.525 -7.906 1.00 0.00 H new ATOM 1265 N VAL A 84 6.558 1.880 -4.571 1.00 0.00 N ATOM 1266 CA VAL A 84 6.282 3.299 -4.425 1.00 0.00 C ATOM 1267 C VAL A 84 7.381 3.920 -3.617 1.00 0.00 C ATOM 1268 O VAL A 84 7.530 3.613 -2.434 1.00 0.00 O ATOM 1269 CB VAL A 84 4.933 3.506 -3.710 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.625 5.007 -3.558 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.814 2.833 -4.511 1.00 0.00 C ATOM 0 H VAL A 84 6.382 1.324 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 84 6.230 3.765 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 84 4.994 3.058 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.668 5.133 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.412 5.482 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.577 5.470 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.862 2.982 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.765 3.272 -5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.018 1.765 -4.595 1.00 0.00 H new ATOM 1281 N LYS A 85 8.148 4.800 -4.241 1.00 0.00 N ATOM 1282 CA LYS A 85 9.213 5.461 -3.537 1.00 0.00 C ATOM 1283 C LYS A 85 8.651 6.648 -2.784 1.00 0.00 C ATOM 1284 O LYS A 85 7.843 7.405 -3.325 1.00 0.00 O ATOM 1285 CB LYS A 85 10.299 5.920 -4.505 1.00 0.00 C ATOM 1286 CG LYS A 85 11.490 6.452 -3.706 1.00 0.00 C ATOM 1287 CD LYS A 85 12.602 6.847 -4.669 1.00 0.00 C ATOM 1288 CE LYS A 85 13.800 7.359 -3.876 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.397 6.232 -3.118 1.00 0.00 N ATOM 0 H LYS A 85 8.048 5.065 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 85 9.662 4.760 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.612 5.091 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.911 6.697 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.187 7.312 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.847 5.691 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.893 5.990 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.249 7.618 -5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.539 7.793 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.489 8.149 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.415 6.401 -2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.937 6.157 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.258 5.347 -3.645 1.00 0.00 H new ATOM 1303 N SER A 86 9.013 6.767 -1.530 1.00 0.00 N ATOM 1304 CA SER A 86 8.489 7.820 -0.700 1.00 0.00 C ATOM 1305 C SER A 86 9.573 8.348 0.196 1.00 0.00 C ATOM 1306 O SER A 86 10.608 7.701 0.377 1.00 0.00 O ATOM 1307 CB SER A 86 7.368 7.275 0.167 1.00 0.00 C ATOM 1308 OG SER A 86 7.937 6.444 1.177 1.00 0.00 O ATOM 0 H SER A 86 9.671 6.144 -1.062 1.00 0.00 H new ATOM 0 HA SER A 86 8.113 8.619 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.809 8.093 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.664 6.705 -0.439 1.00 0.00 H new ATOM 0 HG SER A 86 7.305 5.732 1.410 1.00 0.00 H new ATOM 1314 N GLU A 87 9.265 9.421 0.886 1.00 0.00 N ATOM 1315 CA GLU A 87 10.141 9.929 1.906 1.00 0.00 C ATOM 1316 C GLU A 87 10.288 8.857 2.979 1.00 0.00 C ATOM 1317 O GLU A 87 11.386 8.616 3.506 1.00 0.00 O ATOM 1318 CB GLU A 87 9.535 11.202 2.500 1.00 0.00 C ATOM 1319 CG GLU A 87 10.553 11.889 3.400 1.00 0.00 C ATOM 1320 CD GLU A 87 10.575 13.368 3.099 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.800 14.082 3.700 1.00 0.00 O ATOM 1322 OE2 GLU A 87 11.353 13.771 2.262 1.00 0.00 O ATOM 0 H GLU A 87 8.408 9.959 0.756 1.00 0.00 H new ATOM 0 HA GLU A 87 11.120 10.171 1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.229 11.877 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.639 10.957 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.298 11.724 4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.542 11.460 3.241 1.00 0.00 H new ATOM 1329 N PHE A 88 9.183 8.171 3.232 1.00 0.00 N ATOM 1330 CA PHE A 88 9.130 7.068 4.177 1.00 0.00 C ATOM 1331 C PHE A 88 9.993 5.904 3.719 1.00 0.00 C ATOM 1332 O PHE A 88 10.661 5.260 4.530 1.00 0.00 O ATOM 1333 CB PHE A 88 7.685 6.598 4.326 1.00 0.00 C ATOM 1334 CG PHE A 88 6.913 7.598 5.149 1.00 0.00 C ATOM 1335 CD1 PHE A 88 6.447 8.776 4.553 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.666 7.356 6.506 1.00 0.00 C ATOM 1337 CE1 PHE A 88 5.734 9.706 5.308 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.951 8.293 7.261 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.484 9.467 6.662 1.00 0.00 C ATOM 0 H PHE A 88 8.289 8.368 2.782 1.00 0.00 H new ATOM 0 HA PHE A 88 9.513 7.421 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.225 6.486 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.657 5.619 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.640 8.964 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.026 6.449 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.374 10.613 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.760 8.109 8.308 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.931 10.188 7.245 1.00 0.00 H new ATOM 1349 N GLY A 89 9.932 5.594 2.439 1.00 0.00 N ATOM 1350 CA GLY A 89 10.673 4.462 1.893 1.00 0.00 C ATOM 1351 C GLY A 89 9.948 3.888 0.695 1.00 0.00 C ATOM 1352 O GLY A 89 9.322 4.626 -0.069 1.00 0.00 O ATOM 0 H GLY A 89 9.378 6.107 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.674 4.780 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.792 3.694 2.657 1.00 0.00 H new ATOM 1356 N TYR A 90 10.021 2.576 0.523 1.00 0.00 N ATOM 1357 CA TYR A 90 9.373 1.925 -0.599 1.00 0.00 C ATOM 1358 C TYR A 90 8.127 1.181 -0.161 1.00 0.00 C ATOM 1359 O TYR A 90 8.174 0.387 0.776 1.00 0.00 O ATOM 1360 CB TYR A 90 10.359 0.973 -1.280 1.00 0.00 C ATOM 1361 CG TYR A 90 11.362 1.793 -2.049 1.00 0.00 C ATOM 1362 CD1 TYR A 90 12.537 2.246 -1.425 1.00 0.00 C ATOM 1363 CD2 TYR A 90 11.112 2.127 -3.382 1.00 0.00 C ATOM 1364 CE1 TYR A 90 13.452 3.023 -2.136 1.00 0.00 C ATOM 1365 CE2 TYR A 90 12.032 2.897 -4.091 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.199 3.348 -3.472 1.00 0.00 C ATOM 1367 OH TYR A 90 14.097 4.123 -4.173 1.00 0.00 O ATOM 0 H TYR A 90 10.523 1.944 1.147 1.00 0.00 H new ATOM 0 HA TYR A 90 9.063 2.690 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.864 0.356 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.830 0.296 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.732 1.992 -0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.206 1.789 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.354 3.373 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 90 11.841 3.146 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 90 13.900 4.066 -5.131 1.00 0.00 H new ATOM 1377 N HIS A 91 7.009 1.440 -0.839 1.00 0.00 N ATOM 1378 CA HIS A 91 5.738 0.795 -0.482 1.00 0.00 C ATOM 1379 C HIS A 91 5.199 -0.036 -1.631 1.00 0.00 C ATOM 1380 O HIS A 91 5.293 0.371 -2.795 1.00 0.00 O ATOM 1381 CB HIS A 91 4.654 1.832 -0.140 1.00 0.00 C ATOM 1382 CG HIS A 91 5.183 2.915 0.743 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.650 3.162 1.990 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.167 3.848 0.563 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.299 4.212 2.513 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.230 4.669 1.681 1.00 0.00 N ATOM 0 H HIS A 91 6.953 2.083 -1.629 1.00 0.00 H new ATOM 0 HA HIS A 91 5.954 0.167 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.266 2.270 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.819 1.336 0.354 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.896 2.639 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.796 3.933 -0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.092 4.633 3.486 1.00 0.00 H new ATOM 1394 N VAL A 92 4.442 -1.058 -1.274 1.00 0.00 N ATOM 1395 CA VAL A 92 3.613 -1.784 -2.221 1.00 0.00 C ATOM 1396 C VAL A 92 2.155 -1.635 -1.770 1.00 0.00 C ATOM 1397 O VAL A 92 1.865 -1.766 -0.579 1.00 0.00 O ATOM 1398 CB VAL A 92 4.039 -3.260 -2.278 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.036 -4.078 -3.106 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.430 -3.360 -2.917 1.00 0.00 C ATOM 0 H VAL A 92 4.384 -1.409 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 92 3.727 -1.382 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 92 4.065 -3.660 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.353 -5.120 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.048 -4.012 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.994 -3.683 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.737 -4.405 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.397 -2.950 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.146 -2.796 -2.320 1.00 0.00 H new ATOM 1410 N ILE A 93 1.278 -1.229 -2.682 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.105 -0.910 -2.319 1.00 0.00 C ATOM 1412 C ILE A 93 -1.096 -1.761 -3.105 1.00 0.00 C ATOM 1413 O ILE A 93 -1.067 -1.752 -4.338 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.400 0.571 -2.622 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.534 1.473 -1.821 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.856 0.896 -2.248 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.401 2.908 -2.327 1.00 0.00 C ATOM 0 H ILE A 93 1.494 -1.112 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.219 -1.116 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.242 0.746 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.286 1.424 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.564 1.132 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.062 1.945 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.530 0.267 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.010 0.707 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.066 3.558 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.670 2.948 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.628 3.244 -2.202 1.00 0.00 H new ATOM 1429 N LYS A 94 -2.080 -2.328 -2.406 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.239 -2.944 -3.067 1.00 0.00 C ATOM 1431 C LYS A 94 -4.526 -2.380 -2.464 1.00 0.00 C ATOM 1432 O LYS A 94 -4.538 -1.966 -1.300 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.242 -4.477 -2.983 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.911 -5.043 -4.261 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.821 -6.574 -4.290 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.278 -7.088 -5.674 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.663 -6.641 -5.965 1.00 0.00 N ATOM 0 H LYS A 94 -2.101 -2.375 -1.387 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.174 -2.696 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.223 -4.852 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.783 -4.806 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.956 -4.735 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.426 -4.629 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.798 -6.893 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.447 -7.001 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.602 -6.721 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.229 -8.177 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.133 -7.341 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.191 -6.546 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.636 -5.722 -6.451 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.573 -2.281 -3.277 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.826 -1.671 -2.820 1.00 0.00 C ATOM 1453 C ARG A 95 -7.618 -2.667 -1.983 1.00 0.00 C ATOM 1454 O ARG A 95 -7.628 -3.877 -2.267 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.656 -1.168 -4.013 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.771 -0.204 -3.546 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.506 0.308 -4.792 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.410 1.425 -4.494 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.720 1.271 -4.264 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -12.245 0.079 -4.196 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.468 2.323 -4.104 1.00 0.00 N ATOM 0 H ARG A 95 -5.585 -2.609 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.588 -0.809 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.005 -0.660 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.099 -2.016 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.464 -0.717 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.345 0.628 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.775 0.625 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.077 -0.509 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.020 2.367 -4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.657 -0.745 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.244 -0.029 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.055 3.255 -4.154 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.467 2.216 -3.928 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.251 -2.156 -0.950 1.00 0.00 N ATOM 1476 CA LEU A 96 -9.042 -2.938 -0.026 1.00 0.00 C ATOM 1477 C LEU A 96 -10.500 -2.544 -0.188 1.00 0.00 C ATOM 1478 O LEU A 96 -10.816 -1.364 -0.318 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.562 -2.658 1.412 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.441 -3.388 2.437 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.229 -4.901 2.324 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.065 -2.925 3.844 1.00 0.00 C ATOM 0 H LEU A 96 -8.229 -1.162 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.932 -4.003 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.526 -2.978 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.586 -1.585 1.605 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.489 -3.159 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.856 -5.412 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.497 -5.232 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.182 -5.137 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.687 -3.441 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.016 -3.153 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.223 -1.850 3.928 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.372 -3.525 -0.273 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.781 -3.259 -0.502 1.00 0.00 C ATOM 1496 C GLY A 97 -13.528 -3.075 0.805 1.00 0.00 C ATOM 1497 O GLY A 97 -14.623 -2.565 0.773 1.00 0.00 O ATOM 1498 OXT GLY A 97 -12.998 -3.445 1.820 1.00 0.00 O ATOM 0 H GLY A 97 -11.134 -4.513 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.889 -2.364 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.222 -4.083 -1.062 1.00 0.00 H new TER 1502 GLY A 97