USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=27 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 14 HIS : no HD1:sc= -1.94! C(o=-4.5!,f=-13!) USER MOD Set 1.2: A 49 SER OG : rot -96:sc= -0.0222 USER MOD Set 1.3: A 86 SER OG : rot -162:sc= 0.276 USER MOD Set 1.4: A 91 HIS : no HE2:sc= -2.78! C(o=-4.5!,f=-22!) USER MOD Set 2.1: A 5 SER OG : rot 101:sc= 1.95 USER MOD Set 2.2: A 58 TYR OH : rot 83:sc= 0.631 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.13 (180deg=0) USER MOD Single : A 3 MET CE :methyl -150:sc= -0.231 (180deg=-0.533) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= -0.207! (180deg=-1.39!) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 0.702 (180deg=-2.13!) USER MOD Single : A 12 CYS SG : rot -110:sc= -3.57! USER MOD Single : A 13 SER OG : rot 180:sc= -0.48 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -1.57! (180deg=-1.57!) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0108 (180deg=-0.214) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.537 F(o=-4.3!,f=-0.54) USER MOD Single : A 31 LYS NZ :NH3+ -119:sc= 0.849 (180deg=-1.75!) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0222 (180deg=-0.375) USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0.00823 (180deg=-0.0298) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0.364 (180deg=-0.0817!) USER MOD Single : A 44 SER OG : rot 76:sc= -7.06! USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0964 (180deg=-0.711) USER MOD Single : A 55 SER OG : rot 87:sc= 0.464 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0.507 (180deg=0.339!) USER MOD Single : A 64 MET CE :methyl 150:sc= -5.23! (180deg=-6.26!) USER MOD Single : A 66 LYS NZ :NH3+ -132:sc= -2.51! (180deg=-8.94!) USER MOD Single : A 76 GLN : amide:sc= 0.957 K(o=0.96,f=-0.69) USER MOD Single : A 81 SER OG : rot 84:sc= 0.776 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.0522 (180deg=-0.384) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0435 USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= 0.648! (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.353 -0.504 3.173 1.00 0.00 N ATOM 2 CA GLY A 1 -21.132 -1.097 3.708 1.00 0.00 C ATOM 3 C GLY A 1 -21.001 -0.799 5.194 1.00 0.00 C ATOM 4 O GLY A 1 -21.813 -0.061 5.758 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.024 -1.258 2.922 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.781 0.116 3.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.126 0.053 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.144 -2.175 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.266 -0.704 3.175 1.00 0.00 H new ATOM 8 N PRO A 2 -20.003 -1.337 5.837 1.00 0.00 N ATOM 9 CA PRO A 2 -19.786 -1.111 7.303 1.00 0.00 C ATOM 10 C PRO A 2 -19.591 0.369 7.609 1.00 0.00 C ATOM 11 O PRO A 2 -19.041 1.115 6.784 1.00 0.00 O ATOM 12 CB PRO A 2 -18.495 -1.893 7.603 1.00 0.00 C ATOM 13 CG PRO A 2 -18.384 -2.882 6.489 1.00 0.00 C ATOM 14 CD PRO A 2 -18.930 -2.170 5.261 1.00 0.00 C ATOM 0 HA PRO A 2 -20.636 -1.434 7.905 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.629 -1.232 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.549 -2.391 8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -17.349 -3.189 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -18.955 -3.784 6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.168 -1.568 4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.312 -2.872 4.520 1.00 0.00 H new ATOM 22 N MET A 3 -20.041 0.800 8.775 1.00 0.00 N ATOM 23 CA MET A 3 -19.893 2.196 9.161 1.00 0.00 C ATOM 24 C MET A 3 -18.421 2.554 9.174 1.00 0.00 C ATOM 25 O MET A 3 -17.581 1.720 9.506 1.00 0.00 O ATOM 26 CB MET A 3 -20.505 2.443 10.544 1.00 0.00 C ATOM 27 CG MET A 3 -22.028 2.265 10.487 1.00 0.00 C ATOM 28 SD MET A 3 -22.749 3.542 9.419 1.00 0.00 S ATOM 29 CE MET A 3 -23.117 2.482 8.000 1.00 0.00 C ATOM 0 H MET A 3 -20.507 0.212 9.466 1.00 0.00 H new ATOM 0 HA MET A 3 -20.418 2.822 8.440 1.00 0.00 H new ATOM 0 HB2 MET A 3 -20.077 1.750 11.268 1.00 0.00 H new ATOM 0 HB3 MET A 3 -20.261 3.450 10.883 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.275 1.275 10.104 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.450 2.334 11.490 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.059 3.068 7.083 1.00 0.00 H new ATOM 0 HE2 MET A 3 -22.393 1.668 7.957 1.00 0.00 H new ATOM 0 HE3 MET A 3 -24.121 2.070 8.104 1.00 0.00 H new ATOM 39 N GLY A 4 -18.104 3.752 8.736 1.00 0.00 N ATOM 40 CA GLY A 4 -16.717 4.181 8.616 1.00 0.00 C ATOM 41 C GLY A 4 -16.254 4.060 7.175 1.00 0.00 C ATOM 42 O GLY A 4 -15.256 4.671 6.780 1.00 0.00 O ATOM 0 H GLY A 4 -18.788 4.454 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.617 5.213 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.083 3.573 9.262 1.00 0.00 H new ATOM 46 N SER A 5 -17.012 3.331 6.369 1.00 0.00 N ATOM 47 CA SER A 5 -16.703 3.209 4.959 1.00 0.00 C ATOM 48 C SER A 5 -17.009 4.515 4.236 1.00 0.00 C ATOM 49 O SER A 5 -18.179 4.905 4.087 1.00 0.00 O ATOM 50 CB SER A 5 -17.469 2.042 4.332 1.00 0.00 C ATOM 51 OG SER A 5 -17.294 0.872 5.146 1.00 0.00 O ATOM 0 H SER A 5 -17.841 2.818 6.669 1.00 0.00 H new ATOM 0 HA SER A 5 -15.638 3.001 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.528 2.288 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.107 1.854 3.321 1.00 0.00 H new ATOM 0 HG SER A 5 -18.091 0.737 5.701 1.00 0.00 H new ATOM 57 N MET A 6 -15.955 5.216 3.848 1.00 0.00 N ATOM 58 CA MET A 6 -16.088 6.498 3.181 1.00 0.00 C ATOM 59 C MET A 6 -15.671 6.377 1.728 1.00 0.00 C ATOM 60 O MET A 6 -14.521 6.059 1.429 1.00 0.00 O ATOM 61 CB MET A 6 -15.219 7.530 3.887 1.00 0.00 C ATOM 62 CG MET A 6 -15.789 7.818 5.279 1.00 0.00 C ATOM 63 SD MET A 6 -14.768 9.068 6.093 1.00 0.00 S ATOM 64 CE MET A 6 -15.516 8.942 7.734 1.00 0.00 C ATOM 0 H MET A 6 -14.991 4.914 3.986 1.00 0.00 H new ATOM 0 HA MET A 6 -17.130 6.815 3.220 1.00 0.00 H new ATOM 0 HB2 MET A 6 -14.196 7.162 3.971 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.180 8.449 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 6 -16.818 8.168 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 6 -15.809 6.904 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 6 -15.027 9.642 8.411 1.00 0.00 H new ATOM 0 HE2 MET A 6 -16.578 9.181 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.395 7.927 8.112 1.00 0.00 H new ATOM 74 N ALA A 7 -16.610 6.634 0.835 1.00 0.00 N ATOM 75 CA ALA A 7 -16.370 6.514 -0.599 1.00 0.00 C ATOM 76 C ALA A 7 -15.337 7.506 -1.087 1.00 0.00 C ATOM 77 O ALA A 7 -14.607 7.230 -2.034 1.00 0.00 O ATOM 78 CB ALA A 7 -17.669 6.671 -1.388 1.00 0.00 C ATOM 0 H ALA A 7 -17.556 6.930 1.077 1.00 0.00 H new ATOM 0 HA ALA A 7 -15.975 5.513 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -17.461 6.577 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -18.374 5.896 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -18.100 7.652 -1.187 1.00 0.00 H new ATOM 84 N ASP A 8 -15.330 8.687 -0.500 1.00 0.00 N ATOM 85 CA ASP A 8 -14.444 9.755 -0.949 1.00 0.00 C ATOM 86 C ASP A 8 -13.004 9.441 -0.605 1.00 0.00 C ATOM 87 O ASP A 8 -12.097 10.213 -0.914 1.00 0.00 O ATOM 88 CB ASP A 8 -14.848 11.096 -0.328 1.00 0.00 C ATOM 89 CG ASP A 8 -14.366 11.210 1.106 1.00 0.00 C ATOM 90 OD1 ASP A 8 -14.738 10.387 1.910 1.00 0.00 O ATOM 91 OD2 ASP A 8 -13.646 12.140 1.389 1.00 0.00 O ATOM 0 H ASP A 8 -15.926 8.936 0.289 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.537 9.829 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.432 11.912 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.933 11.201 -0.358 1.00 0.00 H new ATOM 96 N LYS A 9 -12.815 8.351 0.090 1.00 0.00 N ATOM 97 CA LYS A 9 -11.516 7.933 0.553 1.00 0.00 C ATOM 98 C LYS A 9 -11.080 6.676 -0.174 1.00 0.00 C ATOM 99 O LYS A 9 -11.829 6.132 -0.990 1.00 0.00 O ATOM 100 CB LYS A 9 -11.590 7.728 2.058 1.00 0.00 C ATOM 101 CG LYS A 9 -11.877 9.101 2.668 1.00 0.00 C ATOM 102 CD LYS A 9 -12.062 9.011 4.170 1.00 0.00 C ATOM 103 CE LYS A 9 -12.354 10.411 4.714 1.00 0.00 C ATOM 104 NZ LYS A 9 -13.618 10.942 4.120 1.00 0.00 N ATOM 0 H LYS A 9 -13.570 7.718 0.355 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.767 8.695 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.375 7.017 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.654 7.321 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.056 9.781 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.774 9.522 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.882 8.334 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.165 8.604 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.440 10.376 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.525 11.080 4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.502 11.952 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.836 10.422 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.397 10.822 4.798 1.00 0.00 H new ATOM 118 N ILE A 10 -9.854 6.275 0.049 1.00 0.00 N ATOM 119 CA ILE A 10 -9.269 5.178 -0.680 1.00 0.00 C ATOM 120 C ILE A 10 -9.224 3.980 0.219 1.00 0.00 C ATOM 121 O ILE A 10 -8.627 4.036 1.285 1.00 0.00 O ATOM 122 CB ILE A 10 -7.813 5.522 -1.064 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.765 6.854 -1.799 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.257 4.429 -1.994 1.00 0.00 C ATOM 125 CD1 ILE A 10 -6.310 7.284 -2.016 1.00 0.00 C ATOM 0 H ILE A 10 -9.234 6.699 0.740 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.861 4.985 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.216 5.585 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.274 6.767 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.295 7.614 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.229 4.671 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.280 3.468 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.867 4.373 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.287 8.238 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.814 7.390 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.792 6.530 -2.609 1.00 0.00 H new ATOM 137 N LYS A 11 -9.762 2.877 -0.251 1.00 0.00 N ATOM 138 CA LYS A 11 -9.649 1.635 0.470 1.00 0.00 C ATOM 139 C LYS A 11 -8.419 0.922 -0.037 1.00 0.00 C ATOM 140 O LYS A 11 -8.393 0.474 -1.184 1.00 0.00 O ATOM 141 CB LYS A 11 -10.878 0.764 0.216 1.00 0.00 C ATOM 142 CG LYS A 11 -12.129 1.451 0.758 1.00 0.00 C ATOM 143 CD LYS A 11 -13.359 0.623 0.369 1.00 0.00 C ATOM 144 CE LYS A 11 -13.350 -0.717 1.113 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.581 -1.476 0.796 1.00 0.00 N ATOM 0 H LYS A 11 -10.280 2.817 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.576 1.828 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.989 0.580 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.751 -0.207 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.067 1.547 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.210 2.460 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.268 1.174 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.365 0.450 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.472 -1.296 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.284 -0.546 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.007 -1.831 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.258 -0.853 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.345 -2.278 0.178 1.00 0.00 H new ATOM 159 N CYS A 12 -7.363 0.904 0.748 1.00 0.00 N ATOM 160 CA CYS A 12 -6.120 0.324 0.268 1.00 0.00 C ATOM 161 C CYS A 12 -5.324 -0.350 1.362 1.00 0.00 C ATOM 162 O CYS A 12 -5.554 -0.137 2.564 1.00 0.00 O ATOM 163 CB CYS A 12 -5.265 1.366 -0.481 1.00 0.00 C ATOM 164 SG CYS A 12 -3.716 1.674 0.415 1.00 0.00 S ATOM 0 H CYS A 12 -7.334 1.273 1.698 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.400 -0.457 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.046 1.010 -1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.823 2.296 -0.586 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.745 2.865 0.935 1.00 0.00 H new ATOM 170 N SER A 13 -4.375 -1.142 0.923 1.00 0.00 N ATOM 171 CA SER A 13 -3.471 -1.850 1.779 1.00 0.00 C ATOM 172 C SER A 13 -2.051 -1.549 1.329 1.00 0.00 C ATOM 173 O SER A 13 -1.784 -1.506 0.128 1.00 0.00 O ATOM 174 CB SER A 13 -3.762 -3.352 1.690 1.00 0.00 C ATOM 175 OG SER A 13 -5.181 -3.551 1.722 1.00 0.00 O ATOM 0 H SER A 13 -4.211 -1.312 -0.069 1.00 0.00 H new ATOM 0 HA SER A 13 -3.594 -1.537 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.344 -3.763 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.289 -3.878 2.519 1.00 0.00 H new ATOM 0 HG SER A 13 -5.378 -4.509 1.664 1.00 0.00 H new ATOM 181 N HIS A 14 -1.147 -1.273 2.278 1.00 0.00 N ATOM 182 CA HIS A 14 0.219 -0.913 1.903 1.00 0.00 C ATOM 183 C HIS A 14 1.262 -1.705 2.664 1.00 0.00 C ATOM 184 O HIS A 14 1.073 -2.051 3.832 1.00 0.00 O ATOM 185 CB HIS A 14 0.438 0.612 2.040 1.00 0.00 C ATOM 186 CG HIS A 14 1.399 0.957 3.159 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.575 1.678 2.934 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.366 0.710 4.511 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.196 1.828 4.128 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.498 1.255 5.123 1.00 0.00 N ATOM 0 H HIS A 14 -1.332 -1.292 3.281 1.00 0.00 H new ATOM 0 HA HIS A 14 0.348 -1.181 0.854 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.822 1.008 1.100 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.520 1.099 2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.581 0.174 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.135 2.344 4.264 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.742 1.224 6.113 1.00 0.00 H new ATOM 198 N ILE A 15 2.377 -1.926 2.013 1.00 0.00 N ATOM 199 CA ILE A 15 3.516 -2.599 2.597 1.00 0.00 C ATOM 200 C ILE A 15 4.756 -1.752 2.386 1.00 0.00 C ATOM 201 O ILE A 15 5.050 -1.356 1.255 1.00 0.00 O ATOM 202 CB ILE A 15 3.686 -3.983 1.943 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.469 -4.841 2.279 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.947 -4.680 2.460 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.458 -6.100 1.413 1.00 0.00 C ATOM 0 H ILE A 15 2.523 -1.639 1.045 1.00 0.00 H new ATOM 0 HA ILE A 15 3.361 -2.738 3.667 1.00 0.00 H new ATOM 0 HB ILE A 15 3.778 -3.853 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.488 -5.116 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.555 -4.270 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.045 -5.655 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.821 -4.072 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.874 -4.810 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.586 -6.705 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.417 -5.818 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.364 -6.677 1.598 1.00 0.00 H new ATOM 217 N LEU A 16 5.482 -1.480 3.458 1.00 0.00 N ATOM 218 CA LEU A 16 6.701 -0.698 3.355 1.00 0.00 C ATOM 219 C LEU A 16 7.881 -1.642 3.331 1.00 0.00 C ATOM 220 O LEU A 16 8.047 -2.462 4.249 1.00 0.00 O ATOM 221 CB LEU A 16 6.824 0.260 4.552 1.00 0.00 C ATOM 222 CG LEU A 16 8.030 1.210 4.369 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.837 2.091 3.131 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.168 2.106 5.606 1.00 0.00 C ATOM 0 H LEU A 16 5.250 -1.787 4.403 1.00 0.00 H new ATOM 0 HA LEU A 16 6.678 -0.105 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.908 0.842 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.942 -0.313 5.472 1.00 0.00 H new ATOM 0 HG LEU A 16 8.930 0.609 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.695 2.753 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.746 1.461 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.932 2.687 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.018 2.776 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.259 2.694 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.325 1.486 6.489 1.00 0.00 H new ATOM 236 N VAL A 17 8.692 -1.533 2.296 1.00 0.00 N ATOM 237 CA VAL A 17 9.839 -2.390 2.136 1.00 0.00 C ATOM 238 C VAL A 17 11.098 -1.577 1.899 1.00 0.00 C ATOM 239 O VAL A 17 11.053 -0.427 1.437 1.00 0.00 O ATOM 240 CB VAL A 17 9.626 -3.375 0.982 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.450 -4.296 1.302 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.325 -2.609 -0.307 1.00 0.00 C ATOM 0 H VAL A 17 8.571 -0.850 1.549 1.00 0.00 H new ATOM 0 HA VAL A 17 9.961 -2.955 3.060 1.00 0.00 H new ATOM 0 HB VAL A 17 10.532 -3.967 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.301 -4.995 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.661 -4.851 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.548 -3.700 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.175 -3.315 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.423 -2.012 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.163 -1.953 -0.544 1.00 0.00 H new ATOM 252 N LYS A 18 12.208 -2.171 2.250 1.00 0.00 N ATOM 253 CA LYS A 18 13.498 -1.542 2.114 1.00 0.00 C ATOM 254 C LYS A 18 13.838 -1.323 0.650 1.00 0.00 C ATOM 255 O LYS A 18 14.543 -0.369 0.303 1.00 0.00 O ATOM 256 CB LYS A 18 14.562 -2.442 2.740 1.00 0.00 C ATOM 257 CG LYS A 18 14.323 -2.549 4.250 1.00 0.00 C ATOM 258 CD LYS A 18 15.275 -3.588 4.848 1.00 0.00 C ATOM 259 CE LYS A 18 14.524 -4.920 5.042 1.00 0.00 C ATOM 260 NZ LYS A 18 13.979 -5.405 3.737 1.00 0.00 N ATOM 0 H LYS A 18 12.244 -3.112 2.641 1.00 0.00 H new ATOM 0 HA LYS A 18 13.470 -0.576 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.528 -3.432 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.555 -2.036 2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.482 -1.580 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.289 -2.833 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.132 -3.734 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.663 -3.234 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.198 -5.667 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.711 -4.786 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.476 -6.303 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.321 -4.698 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.761 -5.552 3.067 1.00 0.00 H new ATOM 274 N LYS A 19 13.538 -2.325 -0.166 1.00 0.00 N ATOM 275 CA LYS A 19 14.050 -2.360 -1.527 1.00 0.00 C ATOM 276 C LYS A 19 12.943 -2.461 -2.563 1.00 0.00 C ATOM 277 O LYS A 19 11.886 -3.060 -2.319 1.00 0.00 O ATOM 278 CB LYS A 19 14.986 -3.554 -1.671 1.00 0.00 C ATOM 279 CG LYS A 19 16.171 -3.388 -0.713 1.00 0.00 C ATOM 280 CD LYS A 19 17.119 -4.583 -0.845 1.00 0.00 C ATOM 281 CE LYS A 19 18.228 -4.471 0.207 1.00 0.00 C ATOM 282 NZ LYS A 19 19.097 -3.305 -0.101 1.00 0.00 N ATOM 0 H LYS A 19 12.948 -3.117 0.089 1.00 0.00 H new ATOM 0 HA LYS A 19 14.579 -1.424 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.452 -4.478 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.342 -3.630 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.704 -2.464 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.812 -3.309 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.569 -5.514 -0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.552 -4.609 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.791 -4.359 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.822 -5.385 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.964 -3.357 0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.348 -3.316 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.588 -2.425 0.120 1.00 0.00 H new ATOM 296 N GLN A 20 13.243 -1.974 -3.756 1.00 0.00 N ATOM 297 CA GLN A 20 12.333 -2.078 -4.880 1.00 0.00 C ATOM 298 C GLN A 20 12.069 -3.556 -5.173 1.00 0.00 C ATOM 299 O GLN A 20 10.925 -3.969 -5.426 1.00 0.00 O ATOM 300 CB GLN A 20 12.967 -1.402 -6.109 1.00 0.00 C ATOM 301 CG GLN A 20 12.008 -1.453 -7.302 1.00 0.00 C ATOM 302 CD GLN A 20 12.625 -0.748 -8.511 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.527 0.085 -8.365 1.00 0.00 O ATOM 304 NE2 GLN A 20 12.194 -1.020 -9.700 1.00 0.00 N ATOM 0 H GLN A 20 14.120 -1.498 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 20 11.390 -1.583 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.212 -0.366 -5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.902 -1.901 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.784 -2.490 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.063 -0.977 -7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.450 -1.706 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.598 -0.548 -10.509 1.00 0.00 H new ATOM 313 N GLY A 21 13.127 -4.356 -5.092 1.00 0.00 N ATOM 314 CA GLY A 21 13.023 -5.789 -5.325 1.00 0.00 C ATOM 315 C GLY A 21 12.097 -6.434 -4.324 1.00 0.00 C ATOM 316 O GLY A 21 11.267 -7.272 -4.682 1.00 0.00 O ATOM 0 H GLY A 21 14.068 -4.034 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.656 -5.971 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.011 -6.245 -5.258 1.00 0.00 H new ATOM 320 N GLU A 22 12.179 -5.985 -3.084 1.00 0.00 N ATOM 321 CA GLU A 22 11.317 -6.493 -2.040 1.00 0.00 C ATOM 322 C GLU A 22 9.876 -6.144 -2.369 1.00 0.00 C ATOM 323 O GLU A 22 8.977 -6.991 -2.281 1.00 0.00 O ATOM 324 CB GLU A 22 11.714 -5.860 -0.704 1.00 0.00 C ATOM 325 CG GLU A 22 13.098 -6.375 -0.270 1.00 0.00 C ATOM 326 CD GLU A 22 13.587 -5.653 0.986 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.888 -4.773 1.477 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.654 -5.995 1.454 1.00 0.00 O ATOM 0 H GLU A 22 12.837 -5.268 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 22 11.419 -7.576 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.734 -4.774 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.972 -6.101 0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.047 -7.447 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.814 -6.228 -1.079 1.00 0.00 H new ATOM 335 N ALA A 23 9.669 -4.917 -2.826 1.00 0.00 N ATOM 336 CA ALA A 23 8.342 -4.482 -3.229 1.00 0.00 C ATOM 337 C ALA A 23 7.835 -5.331 -4.389 1.00 0.00 C ATOM 338 O ALA A 23 6.688 -5.794 -4.392 1.00 0.00 O ATOM 339 CB ALA A 23 8.360 -3.001 -3.624 1.00 0.00 C ATOM 0 H ALA A 23 10.398 -4.211 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 23 7.666 -4.607 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.358 -2.692 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.686 -2.402 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.048 -2.855 -4.456 1.00 0.00 H new ATOM 345 N LEU A 24 8.710 -5.591 -5.340 1.00 0.00 N ATOM 346 CA LEU A 24 8.348 -6.448 -6.457 1.00 0.00 C ATOM 347 C LEU A 24 8.037 -7.844 -5.955 1.00 0.00 C ATOM 348 O LEU A 24 7.082 -8.487 -6.410 1.00 0.00 O ATOM 349 CB LEU A 24 9.484 -6.514 -7.475 1.00 0.00 C ATOM 350 CG LEU A 24 9.657 -5.152 -8.165 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.913 -5.187 -9.014 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.454 -4.858 -9.071 1.00 0.00 C ATOM 0 H LEU A 24 9.663 -5.229 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 24 7.466 -6.029 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.411 -6.799 -6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.272 -7.282 -8.218 1.00 0.00 H new ATOM 0 HG LEU A 24 9.731 -4.374 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.045 -4.225 -9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.776 -5.390 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.822 -5.971 -9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.590 -3.890 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.373 -5.634 -9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.543 -4.840 -8.472 1.00 0.00 H new ATOM 364 N ALA A 25 8.852 -8.309 -5.021 1.00 0.00 N ATOM 365 CA ALA A 25 8.710 -9.645 -4.473 1.00 0.00 C ATOM 366 C ALA A 25 7.328 -9.846 -3.896 1.00 0.00 C ATOM 367 O ALA A 25 6.680 -10.860 -4.165 1.00 0.00 O ATOM 368 CB ALA A 25 9.759 -9.902 -3.389 1.00 0.00 C ATOM 0 H ALA A 25 9.625 -7.774 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 25 8.860 -10.354 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.633 -10.910 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.756 -9.802 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.635 -9.177 -2.584 1.00 0.00 H new ATOM 374 N VAL A 26 6.854 -8.865 -3.131 1.00 0.00 N ATOM 375 CA VAL A 26 5.524 -8.963 -2.571 1.00 0.00 C ATOM 376 C VAL A 26 4.509 -8.808 -3.664 1.00 0.00 C ATOM 377 O VAL A 26 3.479 -9.464 -3.663 1.00 0.00 O ATOM 378 CB VAL A 26 5.288 -7.938 -1.453 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.343 -8.117 -0.366 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.368 -6.515 -2.001 1.00 0.00 C ATOM 0 H VAL A 26 7.364 -8.014 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 26 5.420 -9.948 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 26 4.293 -8.101 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.175 -7.389 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.275 -9.124 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.334 -7.966 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.198 -5.804 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.355 -6.346 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.608 -6.378 -2.771 1.00 0.00 H new ATOM 390 N GLN A 27 4.814 -7.950 -4.621 1.00 0.00 N ATOM 391 CA GLN A 27 3.902 -7.725 -5.704 1.00 0.00 C ATOM 392 C GLN A 27 3.647 -9.039 -6.409 1.00 0.00 C ATOM 393 O GLN A 27 2.501 -9.431 -6.624 1.00 0.00 O ATOM 394 CB GLN A 27 4.496 -6.726 -6.698 1.00 0.00 C ATOM 395 CG GLN A 27 3.434 -6.389 -7.728 1.00 0.00 C ATOM 396 CD GLN A 27 3.972 -5.418 -8.756 1.00 0.00 C ATOM 397 OE1 GLN A 27 3.438 -4.254 -8.877 1.00 0.00 O flip ATOM 398 NE2 GLN A 27 4.913 -5.736 -9.468 1.00 0.00 N flip ATOM 0 H GLN A 27 5.677 -7.408 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 27 2.970 -7.319 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.822 -5.824 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.375 -7.151 -7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.098 -7.300 -8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.565 -5.957 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.336 -6.659 -9.372 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.275 -5.078 -10.158 1.00 0.00 H new ATOM 407 N GLU A 28 4.720 -9.758 -6.662 1.00 0.00 N ATOM 408 CA GLU A 28 4.639 -11.073 -7.269 1.00 0.00 C ATOM 409 C GLU A 28 3.960 -12.038 -6.304 1.00 0.00 C ATOM 410 O GLU A 28 3.150 -12.881 -6.705 1.00 0.00 O ATOM 411 CB GLU A 28 6.056 -11.565 -7.588 1.00 0.00 C ATOM 412 CG GLU A 28 6.663 -10.688 -8.694 1.00 0.00 C ATOM 413 CD GLU A 28 8.118 -11.046 -8.950 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.613 -11.948 -8.312 1.00 0.00 O ATOM 415 OE2 GLU A 28 8.724 -10.404 -9.777 1.00 0.00 O ATOM 0 H GLU A 28 5.670 -9.451 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 28 4.056 -11.021 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.677 -11.524 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.028 -12.606 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.090 -10.810 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.590 -9.638 -8.409 1.00 0.00 H new ATOM 422 N ARG A 29 4.313 -11.921 -5.032 1.00 0.00 N ATOM 423 CA ARG A 29 3.778 -12.802 -4.007 1.00 0.00 C ATOM 424 C ARG A 29 2.257 -12.669 -3.952 1.00 0.00 C ATOM 425 O ARG A 29 1.535 -13.664 -3.879 1.00 0.00 O ATOM 426 CB ARG A 29 4.395 -12.479 -2.633 1.00 0.00 C ATOM 427 CG ARG A 29 4.176 -13.653 -1.671 1.00 0.00 C ATOM 428 CD ARG A 29 5.148 -14.788 -2.021 1.00 0.00 C ATOM 429 NE ARG A 29 4.714 -16.036 -1.409 1.00 0.00 N ATOM 430 CZ ARG A 29 5.342 -17.190 -1.649 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.406 -17.208 -2.406 1.00 0.00 N ATOM 432 NH2 ARG A 29 4.890 -18.296 -1.135 1.00 0.00 N ATOM 0 H ARG A 29 4.970 -11.222 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 29 4.036 -13.830 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.461 -12.281 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.943 -11.575 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.334 -13.329 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.147 -14.006 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.204 -14.907 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.151 -14.536 -1.676 1.00 0.00 H new ATOM 0 HE ARG A 29 3.910 -16.029 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.757 -16.341 -2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.886 -18.089 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.056 -18.282 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.370 -19.177 -1.319 1.00 0.00 H new ATOM 446 N LEU A 30 1.774 -11.445 -4.068 1.00 0.00 N ATOM 447 CA LEU A 30 0.345 -11.206 -4.082 1.00 0.00 C ATOM 448 C LEU A 30 -0.283 -11.900 -5.262 1.00 0.00 C ATOM 449 O LEU A 30 -1.321 -12.552 -5.134 1.00 0.00 O ATOM 450 CB LEU A 30 0.050 -9.701 -4.127 1.00 0.00 C ATOM 451 CG LEU A 30 -0.050 -9.120 -2.707 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.456 -9.366 -2.168 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.975 -9.770 -1.761 1.00 0.00 C ATOM 0 H LEU A 30 2.348 -10.606 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.085 -11.611 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.837 -9.188 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.883 -9.525 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 30 0.162 -8.052 -2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.536 -8.957 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.185 -8.879 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.653 -10.438 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.877 -9.337 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.793 -10.843 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.982 -9.591 -2.137 1.00 0.00 H new ATOM 465 N LYS A 31 0.380 -11.833 -6.397 1.00 0.00 N ATOM 466 CA LYS A 31 -0.107 -12.537 -7.561 1.00 0.00 C ATOM 467 C LYS A 31 -0.006 -14.044 -7.361 1.00 0.00 C ATOM 468 O LYS A 31 -0.650 -14.812 -8.076 1.00 0.00 O ATOM 469 CB LYS A 31 0.619 -12.099 -8.839 1.00 0.00 C ATOM 470 CG LYS A 31 0.631 -10.556 -8.963 1.00 0.00 C ATOM 471 CD LYS A 31 -0.751 -9.979 -8.615 1.00 0.00 C ATOM 472 CE LYS A 31 -0.797 -8.475 -8.960 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.769 -8.296 -10.437 1.00 0.00 N ATOM 0 H LYS A 31 1.243 -11.307 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.158 -12.278 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.642 -12.475 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.128 -12.534 -9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.385 -10.137 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.907 -10.269 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.526 -10.511 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.958 -10.124 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.700 -8.025 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.051 -7.962 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.076 -7.752 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.742 -9.227 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.621 -7.783 -10.741 1.00 0.00 H new ATOM 487 N ALA A 32 0.709 -14.464 -6.311 1.00 0.00 N ATOM 488 CA ALA A 32 0.766 -15.875 -5.956 1.00 0.00 C ATOM 489 C ALA A 32 -0.534 -16.288 -5.288 1.00 0.00 C ATOM 490 O ALA A 32 -0.776 -17.469 -5.059 1.00 0.00 O ATOM 491 CB ALA A 32 1.944 -16.162 -5.014 1.00 0.00 C ATOM 0 H ALA A 32 1.249 -13.849 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 32 0.910 -16.451 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.961 -17.223 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.878 -15.889 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.830 -15.578 -4.101 1.00 0.00 H new ATOM 497 N GLY A 33 -1.354 -15.304 -4.943 1.00 0.00 N ATOM 498 CA GLY A 33 -2.627 -15.564 -4.277 1.00 0.00 C ATOM 499 C GLY A 33 -2.479 -15.570 -2.765 1.00 0.00 C ATOM 500 O GLY A 33 -3.422 -15.913 -2.040 1.00 0.00 O ATOM 0 H GLY A 33 -1.162 -14.317 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.352 -14.804 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.021 -16.525 -4.608 1.00 0.00 H new ATOM 504 N GLU A 34 -1.325 -15.132 -2.276 1.00 0.00 N ATOM 505 CA GLU A 34 -1.117 -15.022 -0.843 1.00 0.00 C ATOM 506 C GLU A 34 -1.628 -13.674 -0.347 1.00 0.00 C ATOM 507 O GLU A 34 -1.808 -12.733 -1.140 1.00 0.00 O ATOM 508 CB GLU A 34 0.358 -15.223 -0.469 1.00 0.00 C ATOM 509 CG GLU A 34 0.777 -16.663 -0.810 1.00 0.00 C ATOM 510 CD GLU A 34 2.162 -16.983 -0.257 1.00 0.00 C ATOM 511 OE1 GLU A 34 2.813 -16.092 0.256 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.560 -18.119 -0.352 1.00 0.00 O ATOM 0 H GLU A 34 -0.528 -14.850 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.682 -15.815 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.982 -14.512 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.505 -15.031 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.049 -17.363 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.775 -16.798 -1.892 1.00 0.00 H new ATOM 519 N LYS A 35 -1.967 -13.604 0.929 1.00 0.00 N ATOM 520 CA LYS A 35 -2.566 -12.398 1.478 1.00 0.00 C ATOM 521 C LYS A 35 -1.604 -11.230 1.501 1.00 0.00 C ATOM 522 O LYS A 35 -0.461 -11.342 1.977 1.00 0.00 O ATOM 523 CB LYS A 35 -3.109 -12.631 2.889 1.00 0.00 C ATOM 524 CG LYS A 35 -4.488 -13.266 2.830 1.00 0.00 C ATOM 525 CD LYS A 35 -4.967 -13.539 4.264 1.00 0.00 C ATOM 526 CE LYS A 35 -6.385 -14.096 4.233 1.00 0.00 C ATOM 527 NZ LYS A 35 -7.320 -13.025 3.813 1.00 0.00 N ATOM 0 H LYS A 35 -1.839 -14.361 1.600 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.391 -12.148 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.429 -13.276 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.161 -11.684 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.187 -12.605 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.452 -14.195 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.298 -14.247 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.940 -12.619 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.443 -14.937 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.662 -14.472 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.289 -13.281 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.053 -12.131 4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.275 -12.910 2.780 1.00 0.00 H new ATOM 541 N PHE A 36 -2.138 -10.082 1.155 1.00 0.00 N ATOM 542 CA PHE A 36 -1.421 -8.837 1.224 1.00 0.00 C ATOM 543 C PHE A 36 -0.975 -8.632 2.653 1.00 0.00 C ATOM 544 O PHE A 36 0.182 -8.323 2.928 1.00 0.00 O ATOM 545 CB PHE A 36 -2.372 -7.702 0.829 1.00 0.00 C ATOM 546 CG PHE A 36 -1.596 -6.417 0.662 1.00 0.00 C ATOM 547 CD1 PHE A 36 -0.988 -6.126 -0.567 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.485 -5.521 1.725 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.272 -4.940 -0.728 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.769 -4.334 1.559 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.163 -4.043 0.330 1.00 0.00 C ATOM 0 H PHE A 36 -3.095 -9.989 0.814 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.560 -8.848 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.884 -7.951 -0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.140 -7.577 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.074 -6.820 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.951 -5.745 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.198 -4.718 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.682 -3.638 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.388 -3.123 0.204 1.00 0.00 H new ATOM 561 N GLY A 37 -1.902 -8.866 3.564 1.00 0.00 N ATOM 562 CA GLY A 37 -1.629 -8.742 4.975 1.00 0.00 C ATOM 563 C GLY A 37 -0.568 -9.716 5.421 1.00 0.00 C ATOM 564 O GLY A 37 0.245 -9.395 6.287 1.00 0.00 O ATOM 0 H GLY A 37 -2.858 -9.145 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.306 -7.725 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.545 -8.916 5.540 1.00 0.00 H new ATOM 568 N LYS A 38 -0.558 -10.901 4.824 1.00 0.00 N ATOM 569 CA LYS A 38 0.434 -11.895 5.188 1.00 0.00 C ATOM 570 C LYS A 38 1.807 -11.330 4.901 1.00 0.00 C ATOM 571 O LYS A 38 2.643 -11.235 5.790 1.00 0.00 O ATOM 572 CB LYS A 38 0.224 -13.172 4.363 1.00 0.00 C ATOM 573 CG LYS A 38 0.860 -14.374 5.067 1.00 0.00 C ATOM 574 CD LYS A 38 0.520 -15.649 4.283 1.00 0.00 C ATOM 575 CE LYS A 38 0.952 -16.891 5.071 1.00 0.00 C ATOM 576 NZ LYS A 38 2.408 -16.846 5.376 1.00 0.00 N ATOM 0 H LYS A 38 -1.214 -11.191 4.099 1.00 0.00 H new ATOM 0 HA LYS A 38 0.340 -12.140 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.842 -13.349 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.662 -13.049 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.941 -14.246 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.490 -14.451 6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.552 -15.689 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.020 -15.633 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.384 -16.954 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.724 -17.789 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.691 -17.727 5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.945 -16.741 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.607 -16.038 6.000 1.00 0.00 H new ATOM 590 N LEU A 39 1.967 -10.790 3.705 1.00 0.00 N ATOM 591 CA LEU A 39 3.204 -10.116 3.341 1.00 0.00 C ATOM 592 C LEU A 39 3.419 -8.916 4.227 1.00 0.00 C ATOM 593 O LEU A 39 4.554 -8.622 4.650 1.00 0.00 O ATOM 594 CB LEU A 39 3.172 -9.666 1.868 1.00 0.00 C ATOM 595 CG LEU A 39 3.555 -10.831 0.937 1.00 0.00 C ATOM 596 CD1 LEU A 39 5.047 -11.161 1.102 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.716 -12.073 1.264 1.00 0.00 C ATOM 0 H LEU A 39 1.259 -10.804 2.971 1.00 0.00 H new ATOM 0 HA LEU A 39 4.025 -10.821 3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.176 -9.303 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.861 -8.834 1.721 1.00 0.00 H new ATOM 0 HG LEU A 39 3.360 -10.533 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.312 -11.986 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.644 -10.285 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.244 -11.446 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.998 -12.888 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.894 -12.371 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.659 -11.844 1.130 1.00 0.00 H new ATOM 609 N ALA A 40 2.337 -8.191 4.476 1.00 0.00 N ATOM 610 CA ALA A 40 2.419 -6.981 5.255 1.00 0.00 C ATOM 611 C ALA A 40 2.984 -7.267 6.628 1.00 0.00 C ATOM 612 O ALA A 40 3.939 -6.619 7.070 1.00 0.00 O ATOM 613 CB ALA A 40 1.048 -6.310 5.373 1.00 0.00 C ATOM 0 H ALA A 40 1.400 -8.425 4.148 1.00 0.00 H new ATOM 0 HA ALA A 40 3.091 -6.296 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.138 -5.400 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.678 -6.061 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.350 -6.992 5.859 1.00 0.00 H new ATOM 619 N LYS A 41 2.414 -8.251 7.286 1.00 0.00 N ATOM 620 CA LYS A 41 2.878 -8.667 8.595 1.00 0.00 C ATOM 621 C LYS A 41 4.280 -9.237 8.490 1.00 0.00 C ATOM 622 O LYS A 41 5.087 -9.116 9.419 1.00 0.00 O ATOM 623 CB LYS A 41 1.935 -9.732 9.172 1.00 0.00 C ATOM 624 CG LYS A 41 0.555 -9.117 9.418 1.00 0.00 C ATOM 625 CD LYS A 41 -0.384 -10.182 9.991 1.00 0.00 C ATOM 626 CE LYS A 41 -1.811 -9.637 10.063 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.846 -8.393 10.876 1.00 0.00 N ATOM 0 H LYS A 41 1.620 -8.785 6.933 1.00 0.00 H new ATOM 0 HA LYS A 41 2.889 -7.800 9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.852 -10.571 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.341 -10.125 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.637 -8.279 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.149 -8.723 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.358 -11.075 9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.048 -10.478 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.181 -9.434 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.472 -10.385 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.794 -7.968 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.626 -8.620 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.143 -7.720 10.511 1.00 0.00 H new ATOM 641 N GLU A 42 4.499 -9.997 7.429 1.00 0.00 N ATOM 642 CA GLU A 42 5.725 -10.751 7.270 1.00 0.00 C ATOM 643 C GLU A 42 6.967 -9.906 6.977 1.00 0.00 C ATOM 644 O GLU A 42 8.045 -10.221 7.494 1.00 0.00 O ATOM 645 CB GLU A 42 5.548 -11.843 6.214 1.00 0.00 C ATOM 646 CG GLU A 42 4.671 -12.969 6.787 1.00 0.00 C ATOM 647 CD GLU A 42 4.402 -14.043 5.742 1.00 0.00 C ATOM 648 OE1 GLU A 42 4.850 -13.907 4.620 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.765 -15.000 6.085 1.00 0.00 O ATOM 0 H GLU A 42 3.836 -10.106 6.662 1.00 0.00 H new ATOM 0 HA GLU A 42 5.915 -11.203 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.086 -11.427 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.519 -12.239 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.165 -13.414 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.726 -12.555 7.138 1.00 0.00 H new ATOM 656 N LEU A 43 6.877 -8.928 6.081 1.00 0.00 N ATOM 657 CA LEU A 43 8.096 -8.193 5.715 1.00 0.00 C ATOM 658 C LEU A 43 8.052 -6.685 5.882 1.00 0.00 C ATOM 659 O LEU A 43 9.109 -6.043 5.843 1.00 0.00 O ATOM 660 CB LEU A 43 8.646 -8.590 4.330 1.00 0.00 C ATOM 661 CG LEU A 43 7.627 -8.355 3.200 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.078 -6.928 3.240 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.333 -8.567 1.859 1.00 0.00 C ATOM 0 H LEU A 43 6.021 -8.632 5.612 1.00 0.00 H new ATOM 0 HA LEU A 43 8.803 -8.526 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.550 -8.017 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.931 -9.642 4.344 1.00 0.00 H new ATOM 0 HG LEU A 43 6.798 -9.051 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.361 -6.791 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.584 -6.755 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.898 -6.219 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.626 -8.405 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.159 -7.862 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.718 -9.586 1.807 1.00 0.00 H new ATOM 675 N SER A 44 6.873 -6.090 5.956 1.00 0.00 N ATOM 676 CA SER A 44 6.816 -4.639 5.981 1.00 0.00 C ATOM 677 C SER A 44 7.657 -4.098 7.117 1.00 0.00 C ATOM 678 O SER A 44 7.623 -4.632 8.235 1.00 0.00 O ATOM 679 CB SER A 44 5.389 -4.169 6.159 1.00 0.00 C ATOM 680 OG SER A 44 4.535 -4.995 5.404 1.00 0.00 O ATOM 0 H SER A 44 5.973 -6.568 5.998 1.00 0.00 H new ATOM 0 HA SER A 44 7.204 -4.270 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.110 -4.203 7.212 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.291 -3.132 5.837 1.00 0.00 H new ATOM 0 HG SER A 44 4.422 -5.854 5.862 1.00 0.00 H new ATOM 686 N ILE A 45 8.356 -3.012 6.862 1.00 0.00 N ATOM 687 CA ILE A 45 9.135 -2.366 7.902 1.00 0.00 C ATOM 688 C ILE A 45 8.243 -1.403 8.671 1.00 0.00 C ATOM 689 O ILE A 45 8.554 -0.991 9.793 1.00 0.00 O ATOM 690 CB ILE A 45 10.363 -1.659 7.301 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.926 -0.608 6.282 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.257 -2.687 6.599 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.155 0.149 5.786 1.00 0.00 C ATOM 0 H ILE A 45 8.402 -2.559 5.949 1.00 0.00 H new ATOM 0 HA ILE A 45 9.512 -3.115 8.598 1.00 0.00 H new ATOM 0 HB ILE A 45 10.913 -1.174 8.107 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.415 -1.085 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.216 0.084 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.126 -2.184 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.587 -3.435 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.695 -3.175 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.850 0.901 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.646 0.637 6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.848 -0.550 5.317 1.00 0.00 H new ATOM 705 N ASP A 46 7.062 -1.174 8.100 1.00 0.00 N ATOM 706 CA ASP A 46 6.012 -0.403 8.739 1.00 0.00 C ATOM 707 C ASP A 46 5.161 -1.331 9.586 1.00 0.00 C ATOM 708 O ASP A 46 4.471 -2.215 9.057 1.00 0.00 O ATOM 709 CB ASP A 46 5.117 0.261 7.678 1.00 0.00 C ATOM 710 CG ASP A 46 4.028 1.116 8.319 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.914 1.119 9.529 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.323 1.769 7.582 1.00 0.00 O ATOM 0 H ASP A 46 6.811 -1.523 7.175 1.00 0.00 H new ATOM 0 HA ASP A 46 6.467 0.369 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.728 0.881 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.658 -0.507 7.055 1.00 0.00 H new ATOM 717 N GLY A 47 5.188 -1.120 10.887 1.00 0.00 N ATOM 718 CA GLY A 47 4.395 -1.932 11.794 1.00 0.00 C ATOM 719 C GLY A 47 2.928 -1.791 11.454 1.00 0.00 C ATOM 720 O GLY A 47 2.160 -2.769 11.511 1.00 0.00 O ATOM 0 H GLY A 47 5.747 -0.397 11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.697 -2.977 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.571 -1.621 12.824 1.00 0.00 H new ATOM 724 N GLY A 48 2.556 -0.610 10.988 1.00 0.00 N ATOM 725 CA GLY A 48 1.194 -0.366 10.575 1.00 0.00 C ATOM 726 C GLY A 48 0.786 -1.381 9.532 1.00 0.00 C ATOM 727 O GLY A 48 -0.286 -1.979 9.621 1.00 0.00 O ATOM 0 H GLY A 48 3.181 0.190 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.527 -0.426 11.435 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.102 0.642 10.170 1.00 0.00 H new ATOM 731 N SER A 49 1.677 -1.651 8.594 1.00 0.00 N ATOM 732 CA SER A 49 1.405 -2.653 7.593 1.00 0.00 C ATOM 733 C SER A 49 1.201 -4.019 8.244 1.00 0.00 C ATOM 734 O SER A 49 0.322 -4.773 7.847 1.00 0.00 O ATOM 735 CB SER A 49 2.548 -2.715 6.576 1.00 0.00 C ATOM 736 OG SER A 49 2.524 -1.551 5.756 1.00 0.00 O ATOM 0 H SER A 49 2.584 -1.193 8.509 1.00 0.00 H new ATOM 0 HA SER A 49 0.488 -2.378 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.505 -2.787 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.451 -3.608 5.959 1.00 0.00 H new ATOM 0 HG SER A 49 2.047 -1.748 4.923 1.00 0.00 H new ATOM 742 N ALA A 50 1.935 -4.290 9.308 1.00 0.00 N ATOM 743 CA ALA A 50 1.738 -5.532 10.043 1.00 0.00 C ATOM 744 C ALA A 50 0.451 -5.475 10.851 1.00 0.00 C ATOM 745 O ALA A 50 -0.338 -6.438 10.886 1.00 0.00 O ATOM 746 CB ALA A 50 2.934 -5.818 10.957 1.00 0.00 C ATOM 0 H ALA A 50 2.662 -3.680 9.680 1.00 0.00 H new ATOM 0 HA ALA A 50 1.658 -6.346 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.765 -6.750 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.839 -5.905 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.050 -5.002 11.670 1.00 0.00 H new ATOM 752 N LYS A 51 0.238 -4.340 11.488 1.00 0.00 N ATOM 753 CA LYS A 51 -0.940 -4.109 12.301 1.00 0.00 C ATOM 754 C LYS A 51 -2.187 -4.082 11.448 1.00 0.00 C ATOM 755 O LYS A 51 -3.237 -4.576 11.851 1.00 0.00 O ATOM 756 CB LYS A 51 -0.801 -2.799 13.086 1.00 0.00 C ATOM 757 CG LYS A 51 0.328 -2.923 14.123 1.00 0.00 C ATOM 758 CD LYS A 51 -0.095 -3.882 15.252 1.00 0.00 C ATOM 759 CE LYS A 51 1.047 -4.018 16.268 1.00 0.00 C ATOM 760 NZ LYS A 51 1.406 -2.678 16.790 1.00 0.00 N ATOM 0 H LYS A 51 0.880 -3.548 11.456 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.030 -4.932 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.589 -1.977 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.741 -2.564 13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.235 -3.291 13.643 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.562 -1.942 14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.991 -3.506 15.745 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.345 -4.859 14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.744 -4.670 17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.914 -4.481 15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.929 -2.782 17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.001 -2.183 16.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.540 -2.128 16.958 1.00 0.00 H new ATOM 774 N ARG A 52 -2.077 -3.476 10.287 1.00 0.00 N ATOM 775 CA ARG A 52 -3.214 -3.316 9.400 1.00 0.00 C ATOM 776 C ARG A 52 -3.235 -4.414 8.369 1.00 0.00 C ATOM 777 O ARG A 52 -4.018 -4.365 7.417 1.00 0.00 O ATOM 778 CB ARG A 52 -3.092 -1.983 8.654 1.00 0.00 C ATOM 779 CG ARG A 52 -3.194 -0.792 9.608 1.00 0.00 C ATOM 780 CD ARG A 52 -4.578 -0.762 10.249 1.00 0.00 C ATOM 781 NE ARG A 52 -5.629 -0.993 9.255 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.905 -1.056 9.617 1.00 0.00 C ATOM 783 NH1 ARG A 52 -7.242 -0.835 10.865 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.812 -1.328 8.737 1.00 0.00 N ATOM 0 H ARG A 52 -1.206 -3.082 9.931 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.124 -3.349 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.139 -1.947 8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.876 -1.914 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.427 -0.865 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.014 0.136 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.637 -1.522 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.737 0.202 10.732 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.378 -1.107 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.524 -0.615 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.222 -0.883 11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.547 -1.494 7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.793 -1.377 9.014 1.00 0.00 H new ATOM 798 N ASP A 53 -2.310 -5.356 8.486 1.00 0.00 N ATOM 799 CA ASP A 53 -2.163 -6.381 7.461 1.00 0.00 C ATOM 800 C ASP A 53 -2.015 -5.659 6.131 1.00 0.00 C ATOM 801 O ASP A 53 -2.638 -6.018 5.122 1.00 0.00 O ATOM 802 CB ASP A 53 -3.400 -7.302 7.416 1.00 0.00 C ATOM 803 CG ASP A 53 -4.229 -7.163 8.676 1.00 0.00 C ATOM 804 OD1 ASP A 53 -3.721 -7.457 9.736 1.00 0.00 O ATOM 805 OD2 ASP A 53 -5.367 -6.771 8.567 1.00 0.00 O ATOM 0 H ASP A 53 -1.659 -5.433 9.267 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.297 -7.006 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.010 -7.055 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.082 -8.338 7.299 1.00 0.00 H new ATOM 810 N GLY A 54 -1.347 -4.525 6.193 1.00 0.00 N ATOM 811 CA GLY A 54 -1.225 -3.630 5.070 1.00 0.00 C ATOM 812 C GLY A 54 -2.512 -2.848 4.872 1.00 0.00 C ATOM 813 O GLY A 54 -2.481 -1.672 4.528 1.00 0.00 O ATOM 0 H GLY A 54 -0.871 -4.200 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.396 -2.942 5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.995 -4.197 4.168 1.00 0.00 H new ATOM 817 N SER A 55 -3.634 -3.512 5.109 1.00 0.00 N ATOM 818 CA SER A 55 -4.965 -2.937 4.932 1.00 0.00 C ATOM 819 C SER A 55 -5.134 -1.629 5.710 1.00 0.00 C ATOM 820 O SER A 55 -5.650 -1.608 6.840 1.00 0.00 O ATOM 821 CB SER A 55 -6.006 -3.960 5.385 1.00 0.00 C ATOM 822 OG SER A 55 -5.420 -5.271 5.358 1.00 0.00 O ATOM 0 H SER A 55 -3.649 -4.479 5.434 1.00 0.00 H new ATOM 0 HA SER A 55 -5.101 -2.699 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.352 -3.724 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.878 -3.924 4.731 1.00 0.00 H new ATOM 0 HG SER A 55 -4.966 -5.444 6.209 1.00 0.00 H new ATOM 828 N LEU A 56 -4.796 -0.532 5.064 1.00 0.00 N ATOM 829 CA LEU A 56 -4.971 0.779 5.641 1.00 0.00 C ATOM 830 C LEU A 56 -6.440 1.033 5.860 1.00 0.00 C ATOM 831 O LEU A 56 -6.837 1.670 6.834 1.00 0.00 O ATOM 832 CB LEU A 56 -4.409 1.844 4.697 1.00 0.00 C ATOM 833 CG LEU A 56 -2.894 1.672 4.554 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.357 2.709 3.575 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.205 1.836 5.912 1.00 0.00 C ATOM 0 H LEU A 56 -4.394 -0.527 4.127 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.440 0.827 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.886 1.764 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.635 2.838 5.082 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.686 0.670 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.279 2.588 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.832 2.572 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.576 3.709 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.129 1.711 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.412 2.830 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.583 1.084 6.605 1.00 0.00 H new ATOM 847 N GLY A 57 -7.231 0.610 4.896 1.00 0.00 N ATOM 848 CA GLY A 57 -8.656 0.863 4.914 1.00 0.00 C ATOM 849 C GLY A 57 -8.952 2.068 4.066 1.00 0.00 C ATOM 850 O GLY A 57 -8.241 2.315 3.098 1.00 0.00 O ATOM 0 H GLY A 57 -6.907 0.085 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.197 -0.005 4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.995 1.030 5.936 1.00 0.00 H new ATOM 854 N TYR A 58 -9.972 2.834 4.447 1.00 0.00 N ATOM 855 CA TYR A 58 -10.360 4.030 3.704 1.00 0.00 C ATOM 856 C TYR A 58 -9.482 5.183 4.157 1.00 0.00 C ATOM 857 O TYR A 58 -9.415 5.461 5.356 1.00 0.00 O ATOM 858 CB TYR A 58 -11.812 4.434 4.063 1.00 0.00 C ATOM 859 CG TYR A 58 -12.729 3.228 4.139 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.748 2.447 5.305 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.567 2.900 3.069 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.595 1.341 5.401 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.414 1.789 3.164 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.429 1.010 4.331 1.00 0.00 C ATOM 865 OH TYR A 58 -15.262 -0.079 4.424 1.00 0.00 O ATOM 0 H TYR A 58 -10.546 2.646 5.269 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.264 3.824 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.818 4.956 5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.190 5.132 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.104 2.703 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.561 3.502 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.605 0.743 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -15.058 1.531 2.336 1.00 0.00 H new ATOM 0 HH TYR A 58 -16.080 0.175 4.900 1.00 0.00 H new ATOM 875 N PHE A 59 -8.929 5.933 3.229 1.00 0.00 N ATOM 876 CA PHE A 59 -8.185 7.132 3.600 1.00 0.00 C ATOM 877 C PHE A 59 -8.326 8.226 2.561 1.00 0.00 C ATOM 878 O PHE A 59 -8.535 7.954 1.386 1.00 0.00 O ATOM 879 CB PHE A 59 -6.712 6.813 3.855 1.00 0.00 C ATOM 880 CG PHE A 59 -6.035 6.316 2.591 1.00 0.00 C ATOM 881 CD1 PHE A 59 -6.064 4.958 2.269 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.348 7.211 1.762 1.00 0.00 C ATOM 883 CE1 PHE A 59 -5.413 4.495 1.133 1.00 0.00 C ATOM 884 CE2 PHE A 59 -4.699 6.748 0.617 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.729 5.388 0.305 1.00 0.00 C ATOM 0 H PHE A 59 -8.974 5.745 2.228 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.618 7.503 4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.201 7.705 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.630 6.058 4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.594 4.265 2.905 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.320 8.262 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.436 3.443 0.889 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.175 7.440 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.223 5.026 -0.578 1.00 0.00 H new ATOM 895 N GLY A 60 -8.243 9.456 2.999 1.00 0.00 N ATOM 896 CA GLY A 60 -8.385 10.586 2.092 1.00 0.00 C ATOM 897 C GLY A 60 -7.030 11.091 1.634 1.00 0.00 C ATOM 898 O GLY A 60 -6.022 10.423 1.824 1.00 0.00 O ATOM 0 H GLY A 60 -8.079 9.709 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.978 10.290 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.927 11.390 2.590 1.00 0.00 H new ATOM 902 N ARG A 61 -7.014 12.256 1.009 1.00 0.00 N ATOM 903 CA ARG A 61 -5.787 12.837 0.477 1.00 0.00 C ATOM 904 C ARG A 61 -5.046 13.622 1.554 1.00 0.00 C ATOM 905 O ARG A 61 -5.668 14.205 2.447 1.00 0.00 O ATOM 906 CB ARG A 61 -6.124 13.770 -0.696 1.00 0.00 C ATOM 907 CG ARG A 61 -6.763 12.959 -1.834 1.00 0.00 C ATOM 908 CD ARG A 61 -7.216 13.907 -2.953 1.00 0.00 C ATOM 909 NE ARG A 61 -6.059 14.570 -3.553 1.00 0.00 N ATOM 910 CZ ARG A 61 -5.638 14.322 -4.802 1.00 0.00 C ATOM 911 NH1 ARG A 61 -6.267 13.453 -5.550 1.00 0.00 N ATOM 912 NH2 ARG A 61 -4.593 14.950 -5.270 1.00 0.00 N ATOM 0 H ARG A 61 -7.846 12.826 0.855 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.144 12.027 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.807 14.553 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.220 14.264 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.047 12.236 -2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.615 12.393 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.760 13.348 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.904 14.652 -2.552 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.548 15.254 -2.995 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.082 12.960 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.943 13.268 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.100 15.626 -4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.269 14.764 -6.219 1.00 0.00 H new ATOM 926 N GLY A 62 -3.735 13.652 1.459 1.00 0.00 N ATOM 927 CA GLY A 62 -2.908 14.436 2.372 1.00 0.00 C ATOM 928 C GLY A 62 -2.456 13.630 3.579 1.00 0.00 C ATOM 929 O GLY A 62 -1.518 14.016 4.284 1.00 0.00 O ATOM 0 H GLY A 62 -3.207 13.139 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.033 14.807 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.469 15.307 2.709 1.00 0.00 H new ATOM 933 N LYS A 63 -3.122 12.527 3.826 1.00 0.00 N ATOM 934 CA LYS A 63 -2.785 11.656 4.942 1.00 0.00 C ATOM 935 C LYS A 63 -1.424 10.984 4.747 1.00 0.00 C ATOM 936 O LYS A 63 -0.651 10.802 5.707 1.00 0.00 O ATOM 937 CB LYS A 63 -3.895 10.636 5.156 1.00 0.00 C ATOM 938 CG LYS A 63 -5.142 11.383 5.668 1.00 0.00 C ATOM 939 CD LYS A 63 -6.166 11.509 4.541 1.00 0.00 C ATOM 940 CE LYS A 63 -7.184 12.618 4.871 1.00 0.00 C ATOM 941 NZ LYS A 63 -6.563 13.956 4.665 1.00 0.00 N ATOM 0 H LYS A 63 -3.910 12.203 3.266 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.700 12.265 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.119 10.116 4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.583 9.879 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.578 10.847 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.862 12.372 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.660 11.737 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.683 10.560 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.065 12.515 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.521 12.519 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.275 14.697 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.777 14.081 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.202 14.025 3.692 1.00 0.00 H new ATOM 955 N MET A 64 -1.138 10.613 3.515 1.00 0.00 N ATOM 956 CA MET A 64 0.112 9.954 3.164 1.00 0.00 C ATOM 957 C MET A 64 0.891 10.796 2.181 1.00 0.00 C ATOM 958 O MET A 64 0.351 11.724 1.577 1.00 0.00 O ATOM 959 CB MET A 64 -0.141 8.564 2.572 1.00 0.00 C ATOM 960 CG MET A 64 -0.249 7.526 3.701 1.00 0.00 C ATOM 961 SD MET A 64 -1.746 7.838 4.672 1.00 0.00 S ATOM 962 CE MET A 64 -2.952 7.563 3.345 1.00 0.00 C ATOM 0 H MET A 64 -1.765 10.759 2.724 1.00 0.00 H new ATOM 0 HA MET A 64 0.695 9.836 4.077 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.059 8.571 1.984 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.670 8.295 1.895 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.278 6.520 3.282 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.630 7.579 4.343 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.881 7.182 3.770 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.147 8.504 2.830 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.554 6.837 2.636 1.00 0.00 H new ATOM 972 N VAL A 65 2.172 10.522 2.063 1.00 0.00 N ATOM 973 CA VAL A 65 3.010 11.274 1.149 1.00 0.00 C ATOM 974 C VAL A 65 2.453 11.164 -0.276 1.00 0.00 C ATOM 975 O VAL A 65 1.951 10.098 -0.678 1.00 0.00 O ATOM 976 CB VAL A 65 4.460 10.757 1.217 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.958 10.837 2.662 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.524 9.300 0.753 1.00 0.00 C ATOM 0 H VAL A 65 2.655 9.790 2.583 1.00 0.00 H new ATOM 0 HA VAL A 65 3.010 12.325 1.438 1.00 0.00 H new ATOM 0 HB VAL A 65 5.084 11.371 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.984 10.472 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.923 11.872 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.322 10.224 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.554 8.946 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.896 8.685 1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.168 9.230 -0.275 1.00 0.00 H new ATOM 988 N LYS A 66 2.425 12.285 -0.988 1.00 0.00 N ATOM 989 CA LYS A 66 1.796 12.335 -2.309 1.00 0.00 C ATOM 990 C LYS A 66 2.176 11.141 -3.169 1.00 0.00 C ATOM 991 O LYS A 66 1.314 10.557 -3.811 1.00 0.00 O ATOM 992 CB LYS A 66 2.100 13.657 -3.035 1.00 0.00 C ATOM 993 CG LYS A 66 1.147 13.827 -4.237 1.00 0.00 C ATOM 994 CD LYS A 66 1.889 13.493 -5.545 1.00 0.00 C ATOM 995 CE LYS A 66 0.953 13.690 -6.751 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.269 12.857 -6.590 1.00 0.00 N ATOM 0 H LYS A 66 2.828 13.169 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 66 0.720 12.287 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.985 14.495 -2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.135 13.665 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.282 13.173 -4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.771 14.850 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.766 14.132 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.246 12.464 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.677 14.741 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.470 13.417 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.452 12.336 -7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.129 12.182 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.081 13.470 -6.375 1.00 0.00 H new ATOM 1010 N PRO A 67 3.430 10.737 -3.179 1.00 0.00 N ATOM 1011 CA PRO A 67 3.819 9.547 -3.996 1.00 0.00 C ATOM 1012 C PRO A 67 2.960 8.350 -3.638 1.00 0.00 C ATOM 1013 O PRO A 67 2.497 7.604 -4.517 1.00 0.00 O ATOM 1014 CB PRO A 67 5.264 9.278 -3.571 1.00 0.00 C ATOM 1015 CG PRO A 67 5.797 10.602 -3.152 1.00 0.00 C ATOM 1016 CD PRO A 67 4.617 11.388 -2.576 1.00 0.00 C ATOM 0 HA PRO A 67 3.700 9.718 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.307 8.559 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.846 8.861 -4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.584 10.484 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.236 11.128 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.593 11.334 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.672 12.444 -2.841 1.00 0.00 H new ATOM 1024 N PHE A 68 2.760 8.171 -2.339 1.00 0.00 N ATOM 1025 CA PHE A 68 1.965 7.074 -1.826 1.00 0.00 C ATOM 1026 C PHE A 68 0.525 7.186 -2.295 1.00 0.00 C ATOM 1027 O PHE A 68 -0.052 6.231 -2.829 1.00 0.00 O ATOM 1028 CB PHE A 68 2.001 7.088 -0.298 1.00 0.00 C ATOM 1029 CG PHE A 68 1.239 5.904 0.227 1.00 0.00 C ATOM 1030 CD1 PHE A 68 1.892 4.690 0.411 1.00 0.00 C ATOM 1031 CD2 PHE A 68 -0.122 6.021 0.522 1.00 0.00 C ATOM 1032 CE1 PHE A 68 1.191 3.594 0.892 1.00 0.00 C ATOM 1033 CE2 PHE A 68 -0.829 4.922 1.003 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.174 3.707 1.186 1.00 0.00 C ATOM 0 H PHE A 68 3.144 8.782 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 68 2.383 6.140 -2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.032 7.056 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.564 8.013 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.943 4.601 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.626 6.965 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.698 2.652 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.880 5.012 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.719 2.851 1.555 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.050 8.359 -2.095 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.439 8.584 -2.462 1.00 0.00 C ATOM 1046 C GLU A 69 -1.606 8.532 -3.974 1.00 0.00 C ATOM 1047 O GLU A 69 -2.548 7.927 -4.495 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.930 9.934 -1.906 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.008 9.856 -0.366 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.437 11.191 0.252 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.693 12.133 -0.491 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.505 11.261 1.458 1.00 0.00 O ATOM 0 H GLU A 69 0.419 9.166 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.046 7.792 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.251 10.732 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.909 10.176 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.715 9.078 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.036 9.567 0.033 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.656 9.123 -4.671 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.685 9.175 -6.121 1.00 0.00 C ATOM 1061 C ASP A 70 -0.710 7.769 -6.689 1.00 0.00 C ATOM 1062 O ASP A 70 -1.497 7.465 -7.586 1.00 0.00 O ATOM 1063 CB ASP A 70 0.553 9.919 -6.639 1.00 0.00 C ATOM 1064 CG ASP A 70 0.361 10.330 -8.078 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.536 11.107 -8.331 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.124 9.894 -8.905 1.00 0.00 O ATOM 0 H ASP A 70 0.154 9.579 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.583 9.705 -6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.738 10.800 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.431 9.280 -6.552 1.00 0.00 H new ATOM 1071 N ALA A 71 0.122 6.899 -6.138 1.00 0.00 N ATOM 1072 CA ALA A 71 0.133 5.502 -6.556 1.00 0.00 C ATOM 1073 C ALA A 71 -1.163 4.813 -6.148 1.00 0.00 C ATOM 1074 O ALA A 71 -1.697 3.987 -6.886 1.00 0.00 O ATOM 1075 CB ALA A 71 1.333 4.759 -5.951 1.00 0.00 C ATOM 0 H ALA A 71 0.794 7.131 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 71 0.221 5.477 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.319 3.719 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.258 5.231 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.275 4.799 -4.863 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.651 5.140 -4.957 1.00 0.00 N ATOM 1082 CA ALA A 72 -2.854 4.507 -4.416 1.00 0.00 C ATOM 1083 C ALA A 72 -4.057 4.746 -5.309 1.00 0.00 C ATOM 1084 O ALA A 72 -4.873 3.850 -5.523 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.153 5.038 -3.015 1.00 0.00 C ATOM 0 H ALA A 72 -1.233 5.841 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.664 3.435 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.051 4.557 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.312 4.821 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.310 6.116 -3.060 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.161 5.953 -5.835 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.281 6.304 -6.708 1.00 0.00 C ATOM 1093 C PHE A 73 -5.293 5.458 -7.973 1.00 0.00 C ATOM 1094 O PHE A 73 -6.331 5.305 -8.613 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.266 7.798 -7.072 1.00 0.00 C ATOM 1096 CG PHE A 73 -5.776 8.616 -5.904 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.132 8.573 -5.563 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -4.899 9.417 -5.167 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -7.609 9.325 -4.489 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.377 10.172 -4.091 1.00 0.00 C ATOM 1101 CZ PHE A 73 -6.733 10.124 -3.752 1.00 0.00 C ATOM 0 H PHE A 73 -3.492 6.706 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.193 6.095 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.254 8.108 -7.331 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.888 7.974 -7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.811 7.956 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.852 9.453 -5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.656 9.289 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.699 10.792 -3.522 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.102 10.705 -2.920 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.124 5.042 -8.406 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.978 4.330 -9.670 1.00 0.00 C ATOM 1113 C ARG A 74 -4.671 2.973 -9.657 1.00 0.00 C ATOM 1114 O ARG A 74 -5.067 2.469 -10.712 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.499 4.126 -10.015 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.794 5.477 -10.171 1.00 0.00 C ATOM 1117 CD ARG A 74 -2.413 6.257 -11.328 1.00 0.00 C ATOM 1118 NE ARG A 74 -2.395 5.461 -12.557 1.00 0.00 N ATOM 1119 CZ ARG A 74 -3.060 5.846 -13.654 1.00 0.00 C ATOM 1120 NH1 ARG A 74 -3.749 6.954 -13.643 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -3.023 5.114 -14.725 1.00 0.00 N ATOM 0 H ARG A 74 -3.249 5.183 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.455 4.953 -10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.014 3.544 -9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.410 3.554 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.880 6.050 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.730 5.323 -10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.439 6.531 -11.081 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.864 7.186 -11.482 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.863 4.591 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.781 7.526 -12.799 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.256 7.248 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.488 4.246 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.529 5.407 -15.561 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.619 2.294 -8.524 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.030 0.887 -8.460 1.00 0.00 C ATOM 1137 C LEU A 75 -6.458 0.705 -8.005 1.00 0.00 C ATOM 1138 O LEU A 75 -6.811 -0.353 -7.512 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.113 0.100 -7.540 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.668 0.250 -8.004 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.766 -0.481 -7.036 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.494 -0.337 -9.414 1.00 0.00 C ATOM 0 H LEU A 75 -4.300 2.684 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.957 0.509 -9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.215 0.458 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.398 -0.952 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.407 1.308 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.729 -0.381 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.880 -0.054 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.038 -1.536 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.457 -0.222 -9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.755 -1.395 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.147 0.190 -10.110 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.268 1.724 -8.140 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.663 1.651 -7.706 1.00 0.00 C ATOM 1156 C GLN A 76 -9.313 0.337 -8.160 1.00 0.00 C ATOM 1157 O GLN A 76 -10.221 -0.170 -7.502 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.430 2.852 -8.244 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.887 4.113 -7.569 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.476 5.352 -8.205 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.696 5.512 -8.242 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.689 6.232 -8.723 1.00 0.00 N ATOM 0 H GLN A 76 -6.997 2.620 -8.546 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.694 1.672 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.316 2.922 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.496 2.743 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.126 4.095 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.800 4.137 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.679 6.095 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.077 7.065 -9.166 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.784 -0.248 -9.227 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.263 -1.532 -9.731 1.00 0.00 C ATOM 1173 C VAL A 77 -9.083 -2.670 -8.699 1.00 0.00 C ATOM 1174 O VAL A 77 -9.867 -3.625 -8.680 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.549 -1.875 -11.051 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.044 -2.066 -10.815 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.132 -3.151 -11.653 1.00 0.00 C ATOM 0 H VAL A 77 -8.015 0.150 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.334 -1.439 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.700 -1.047 -11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.556 -2.308 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.619 -1.147 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.887 -2.879 -10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.617 -3.381 -12.586 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.001 -3.976 -10.953 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.194 -3.008 -11.850 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.043 -2.581 -7.862 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.768 -3.632 -6.865 1.00 0.00 C ATOM 1189 C GLY A 78 -6.371 -4.217 -7.010 1.00 0.00 C ATOM 1190 O GLY A 78 -5.984 -5.118 -6.250 1.00 0.00 O ATOM 0 H GLY A 78 -7.383 -1.804 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.884 -3.218 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.505 -4.428 -6.968 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.628 -3.709 -7.971 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.291 -4.198 -8.272 1.00 0.00 C ATOM 1196 C GLU A 79 -3.283 -3.888 -7.159 1.00 0.00 C ATOM 1197 O GLU A 79 -3.592 -3.166 -6.194 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.800 -3.621 -9.608 1.00 0.00 C ATOM 1199 CG GLU A 79 -3.755 -4.737 -10.683 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.585 -5.693 -10.453 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.753 -5.409 -9.619 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -2.540 -6.708 -11.112 1.00 0.00 O ATOM 0 H GLU A 79 -5.932 -2.942 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.360 -5.283 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.463 -2.819 -9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.809 -3.185 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.691 -5.296 -10.667 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.669 -4.287 -11.672 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.073 -4.412 -7.329 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.965 -4.187 -6.412 1.00 0.00 C ATOM 1211 C VAL A 80 0.048 -3.267 -7.097 1.00 0.00 C ATOM 1212 O VAL A 80 0.392 -3.470 -8.272 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.285 -5.523 -6.073 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.811 -5.309 -5.021 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.318 -6.527 -5.551 1.00 0.00 C ATOM 0 H VAL A 80 -1.833 -5.012 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.334 -3.733 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 80 0.168 -5.921 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.285 -6.263 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.559 -4.618 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.370 -4.894 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.823 -7.469 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.790 -6.130 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.077 -6.698 -6.314 1.00 0.00 H new ATOM 1225 N SER A 81 0.442 -2.226 -6.412 1.00 0.00 N ATOM 1226 CA SER A 81 1.311 -1.227 -6.988 1.00 0.00 C ATOM 1227 C SER A 81 2.658 -1.808 -7.322 1.00 0.00 C ATOM 1228 O SER A 81 3.183 -2.654 -6.587 1.00 0.00 O ATOM 1229 CB SER A 81 1.503 -0.060 -5.996 1.00 0.00 C ATOM 1230 OG SER A 81 2.282 -0.501 -4.882 1.00 0.00 O ATOM 0 H SER A 81 0.173 -2.045 -5.445 1.00 0.00 H new ATOM 0 HA SER A 81 0.844 -0.867 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.999 0.774 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.534 0.303 -5.654 1.00 0.00 H new ATOM 0 HG SER A 81 3.234 -0.444 -5.106 1.00 0.00 H new ATOM 1236 N GLU A 82 3.318 -1.178 -8.268 1.00 0.00 N ATOM 1237 CA GLU A 82 4.718 -1.415 -8.453 1.00 0.00 C ATOM 1238 C GLU A 82 5.405 -0.748 -7.282 1.00 0.00 C ATOM 1239 O GLU A 82 4.758 0.002 -6.539 1.00 0.00 O ATOM 1240 CB GLU A 82 5.199 -0.798 -9.771 1.00 0.00 C ATOM 1241 CG GLU A 82 4.445 -1.444 -10.945 1.00 0.00 C ATOM 1242 CD GLU A 82 3.682 -0.401 -11.722 1.00 0.00 C ATOM 1243 OE1 GLU A 82 4.263 0.617 -12.037 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.529 -0.624 -11.996 1.00 0.00 O ATOM 0 H GLU A 82 2.905 -0.504 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 82 4.940 -2.481 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.029 0.279 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.272 -0.951 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.151 -1.952 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.757 -2.202 -10.570 1.00 0.00 H new ATOM 1251 N PRO A 83 6.661 -0.977 -7.081 1.00 0.00 N ATOM 1252 CA PRO A 83 7.346 -0.350 -5.932 1.00 0.00 C ATOM 1253 C PRO A 83 7.160 1.165 -5.961 1.00 0.00 C ATOM 1254 O PRO A 83 7.393 1.809 -6.986 1.00 0.00 O ATOM 1255 CB PRO A 83 8.804 -0.720 -6.179 1.00 0.00 C ATOM 1256 CG PRO A 83 8.746 -2.063 -6.849 1.00 0.00 C ATOM 1257 CD PRO A 83 7.413 -2.132 -7.602 1.00 0.00 C ATOM 0 HA PRO A 83 6.971 -0.679 -4.963 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.298 0.017 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.365 -0.767 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.583 -2.188 -7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.815 -2.864 -6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.557 -2.063 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.892 -3.070 -7.410 1.00 0.00 H new ATOM 1265 N VAL A 84 6.732 1.713 -4.835 1.00 0.00 N ATOM 1266 CA VAL A 84 6.500 3.138 -4.699 1.00 0.00 C ATOM 1267 C VAL A 84 7.588 3.740 -3.833 1.00 0.00 C ATOM 1268 O VAL A 84 7.602 3.537 -2.623 1.00 0.00 O ATOM 1269 CB VAL A 84 5.126 3.375 -4.041 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.865 4.878 -3.848 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.019 2.763 -4.907 1.00 0.00 C ATOM 0 H VAL A 84 6.536 1.179 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 84 6.514 3.607 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 84 5.127 2.895 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.890 5.021 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.639 5.302 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.881 5.377 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.051 2.935 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.030 3.228 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.188 1.691 -5.009 1.00 0.00 H new ATOM 1281 N LYS A 85 8.478 4.495 -4.438 1.00 0.00 N ATOM 1282 CA LYS A 85 9.532 5.142 -3.686 1.00 0.00 C ATOM 1283 C LYS A 85 9.026 6.422 -3.053 1.00 0.00 C ATOM 1284 O LYS A 85 8.377 7.245 -3.720 1.00 0.00 O ATOM 1285 CB LYS A 85 10.749 5.432 -4.574 1.00 0.00 C ATOM 1286 CG LYS A 85 11.879 6.031 -3.720 1.00 0.00 C ATOM 1287 CD LYS A 85 13.123 6.258 -4.583 1.00 0.00 C ATOM 1288 CE LYS A 85 14.215 6.933 -3.741 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.592 6.073 -2.586 1.00 0.00 N ATOM 0 H LYS A 85 8.494 4.676 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 85 9.845 4.460 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.089 4.514 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.475 6.124 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.554 6.974 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.117 5.360 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.486 5.307 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.874 6.881 -5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.092 7.126 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.860 7.899 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.505 6.390 -2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.862 6.142 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.673 5.085 -2.901 1.00 0.00 H new ATOM 1303 N SER A 86 9.341 6.593 -1.789 1.00 0.00 N ATOM 1304 CA SER A 86 8.966 7.767 -1.041 1.00 0.00 C ATOM 1305 C SER A 86 10.144 8.177 -0.190 1.00 0.00 C ATOM 1306 O SER A 86 11.142 7.455 -0.120 1.00 0.00 O ATOM 1307 CB SER A 86 7.781 7.441 -0.131 1.00 0.00 C ATOM 1308 OG SER A 86 8.235 6.614 0.937 1.00 0.00 O ATOM 0 H SER A 86 9.871 5.911 -1.247 1.00 0.00 H new ATOM 0 HA SER A 86 8.684 8.571 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.344 8.359 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.000 6.932 -0.696 1.00 0.00 H new ATOM 0 HG SER A 86 7.468 6.173 1.358 1.00 0.00 H new ATOM 1314 N GLU A 87 9.976 9.239 0.558 1.00 0.00 N ATOM 1315 CA GLU A 87 10.968 9.643 1.526 1.00 0.00 C ATOM 1316 C GLU A 87 11.128 8.523 2.547 1.00 0.00 C ATOM 1317 O GLU A 87 12.231 8.234 3.025 1.00 0.00 O ATOM 1318 CB GLU A 87 10.496 10.927 2.215 1.00 0.00 C ATOM 1319 CG GLU A 87 11.545 11.421 3.217 1.00 0.00 C ATOM 1320 CD GLU A 87 11.132 12.759 3.797 1.00 0.00 C ATOM 1321 OE1 GLU A 87 10.375 13.451 3.163 1.00 0.00 O ATOM 1322 OE2 GLU A 87 11.566 13.072 4.871 1.00 0.00 O ATOM 0 H GLU A 87 9.156 9.844 0.515 1.00 0.00 H new ATOM 0 HA GLU A 87 11.926 9.833 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.308 11.698 1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.552 10.744 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.664 10.691 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.513 11.514 2.724 1.00 0.00 H new ATOM 1329 N PHE A 88 10.009 7.901 2.874 1.00 0.00 N ATOM 1330 CA PHE A 88 9.971 6.812 3.836 1.00 0.00 C ATOM 1331 C PHE A 88 10.780 5.622 3.337 1.00 0.00 C ATOM 1332 O PHE A 88 11.506 4.978 4.104 1.00 0.00 O ATOM 1333 CB PHE A 88 8.519 6.377 4.061 1.00 0.00 C ATOM 1334 CG PHE A 88 7.687 7.522 4.636 1.00 0.00 C ATOM 1335 CD1 PHE A 88 8.285 8.752 4.980 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.310 7.354 4.805 1.00 0.00 C ATOM 1337 CE1 PHE A 88 7.502 9.793 5.491 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.534 8.401 5.315 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.129 9.618 5.660 1.00 0.00 C ATOM 0 H PHE A 88 9.099 8.137 2.479 1.00 0.00 H new ATOM 0 HA PHE A 88 10.405 7.163 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.085 6.045 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.492 5.526 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.348 8.891 4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.844 6.416 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.962 10.734 5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.470 8.268 5.443 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.526 10.421 6.057 1.00 0.00 H new ATOM 1349 N GLY A 89 10.618 5.302 2.064 1.00 0.00 N ATOM 1350 CA GLY A 89 11.289 4.151 1.460 1.00 0.00 C ATOM 1351 C GLY A 89 10.485 3.648 0.281 1.00 0.00 C ATOM 1352 O GLY A 89 9.905 4.442 -0.455 1.00 0.00 O ATOM 0 H GLY A 89 10.024 5.824 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.291 4.432 1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.404 3.357 2.198 1.00 0.00 H new ATOM 1356 N TYR A 90 10.384 2.336 0.139 1.00 0.00 N ATOM 1357 CA TYR A 90 9.568 1.750 -0.913 1.00 0.00 C ATOM 1358 C TYR A 90 8.278 1.190 -0.352 1.00 0.00 C ATOM 1359 O TYR A 90 8.294 0.393 0.581 1.00 0.00 O ATOM 1360 CB TYR A 90 10.333 0.648 -1.656 1.00 0.00 C ATOM 1361 CG TYR A 90 11.195 1.250 -2.738 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.649 1.487 -4.005 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.528 1.578 -2.483 1.00 0.00 C ATOM 1364 CE1 TYR A 90 11.432 2.048 -5.017 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.311 2.140 -3.499 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.767 2.374 -4.765 1.00 0.00 C ATOM 1367 OH TYR A 90 13.546 2.934 -5.756 1.00 0.00 O ATOM 0 H TYR A 90 10.856 1.658 0.737 1.00 0.00 H new ATOM 0 HA TYR A 90 9.327 2.545 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.954 0.090 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.630 -0.061 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.617 1.235 -4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.953 1.399 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.006 2.229 -5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.342 2.394 -3.303 1.00 0.00 H new ATOM 0 HH TYR A 90 14.448 3.098 -5.410 1.00 0.00 H new ATOM 1377 N HIS A 91 7.164 1.556 -0.972 1.00 0.00 N ATOM 1378 CA HIS A 91 5.864 1.032 -0.581 1.00 0.00 C ATOM 1379 C HIS A 91 5.300 0.167 -1.678 1.00 0.00 C ATOM 1380 O HIS A 91 5.407 0.504 -2.854 1.00 0.00 O ATOM 1381 CB HIS A 91 4.838 2.153 -0.317 1.00 0.00 C ATOM 1382 CG HIS A 91 5.370 3.182 0.620 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.853 3.344 1.888 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.340 4.132 0.481 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.507 4.364 2.466 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.423 4.881 1.647 1.00 0.00 N ATOM 0 H HIS A 91 7.136 2.215 -1.750 1.00 0.00 H new ATOM 0 HA HIS A 91 6.026 0.463 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.567 2.627 -1.260 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.927 1.721 0.097 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.108 2.789 2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.948 4.278 -0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.315 4.720 3.467 1.00 0.00 H new ATOM 1394 N VAL A 92 4.543 -0.818 -1.283 1.00 0.00 N ATOM 1395 CA VAL A 92 3.722 -1.560 -2.200 1.00 0.00 C ATOM 1396 C VAL A 92 2.287 -1.348 -1.772 1.00 0.00 C ATOM 1397 O VAL A 92 1.963 -1.503 -0.587 1.00 0.00 O ATOM 1398 CB VAL A 92 4.081 -3.048 -2.162 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.066 -3.849 -2.991 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.480 -3.240 -2.739 1.00 0.00 C ATOM 0 H VAL A 92 4.477 -1.130 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 92 3.877 -1.219 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 92 4.057 -3.403 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.326 -4.907 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.067 -3.709 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.084 -3.500 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.742 -4.298 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.501 -2.885 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.199 -2.675 -2.146 1.00 0.00 H new ATOM 1410 N ILE A 93 1.453 -0.926 -2.689 1.00 0.00 N ATOM 1411 CA ILE A 93 0.083 -0.623 -2.366 1.00 0.00 C ATOM 1412 C ILE A 93 -0.839 -1.522 -3.144 1.00 0.00 C ATOM 1413 O ILE A 93 -0.910 -1.429 -4.364 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.223 0.848 -2.711 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.681 1.774 -1.896 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.688 1.168 -2.386 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.515 3.214 -2.393 1.00 0.00 C ATOM 0 H ILE A 93 1.701 -0.784 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.072 -0.785 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.042 1.002 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.426 1.711 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.721 1.462 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.896 2.209 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.340 0.519 -2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.869 1.003 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.159 3.876 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.792 3.270 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.524 3.523 -2.274 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.680 -2.242 -2.444 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.749 -2.956 -3.098 1.00 0.00 C ATOM 1431 C LYS A 94 -4.027 -2.255 -2.781 1.00 0.00 C ATOM 1432 O LYS A 94 -4.248 -1.853 -1.638 1.00 0.00 O ATOM 1433 CB LYS A 94 -2.861 -4.406 -2.643 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.973 -5.070 -3.474 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.197 -6.508 -3.027 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.289 -7.148 -3.899 1.00 0.00 C ATOM 1437 NZ LYS A 94 -6.395 -6.169 -4.157 1.00 0.00 N ATOM 0 H LYS A 94 -1.647 -2.349 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.539 -2.971 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.914 -4.926 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.095 -4.457 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.898 -4.504 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.705 -5.050 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.270 -7.075 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.492 -6.533 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.860 -7.479 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.687 -8.033 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.295 -6.680 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.461 -5.502 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.197 -5.644 -5.033 1.00 0.00 H new ATOM 1451 N ARG A 95 -4.905 -2.160 -3.741 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.179 -1.558 -3.476 1.00 0.00 C ATOM 1453 C ARG A 95 -7.078 -2.546 -2.768 1.00 0.00 C ATOM 1454 O ARG A 95 -7.115 -3.744 -3.118 1.00 0.00 O ATOM 1455 CB ARG A 95 -6.833 -1.021 -4.750 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.416 0.370 -4.463 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.857 0.242 -3.943 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.779 -0.105 -5.023 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.063 -0.389 -4.790 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.499 -0.504 -3.566 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.859 -0.603 -5.786 1.00 0.00 N ATOM 0 H ARG A 95 -4.765 -2.486 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.020 -0.700 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.100 -0.963 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.620 -1.698 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.800 0.886 -3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.401 0.973 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.900 -0.521 -3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.166 1.182 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.432 -0.131 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.859 -0.377 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.480 -0.721 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.505 -0.554 -6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.841 -0.821 -5.616 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.798 -2.043 -1.789 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.719 -2.823 -1.014 1.00 0.00 C ATOM 1477 C LEU A 96 -10.111 -2.497 -1.505 1.00 0.00 C ATOM 1478 O LEU A 96 -10.437 -1.338 -1.684 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.562 -2.442 0.471 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.566 -3.201 1.349 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.219 -4.691 1.371 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.492 -2.651 2.773 1.00 0.00 C ATOM 0 H LEU A 96 -7.754 -1.063 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.531 -3.892 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.547 -2.664 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.709 -1.369 0.591 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.570 -3.072 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.936 -5.222 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.257 -5.089 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.216 -4.825 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.202 -3.183 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.484 -2.788 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.738 -1.589 2.766 1.00 0.00 H new ATOM 1494 N GLY A 97 -10.841 -3.518 -1.891 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.127 -3.362 -2.560 1.00 0.00 C ATOM 1496 C GLY A 97 -13.102 -2.558 -1.732 1.00 0.00 C ATOM 1497 O GLY A 97 -13.478 -1.492 -2.164 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.467 -3.026 -0.681 1.00 0.00 O ATOM 0 H GLY A 97 -10.564 -4.490 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.978 -2.872 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.550 -4.345 -2.765 1.00 0.00 H new TER 1502 GLY A 97