USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 703 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 51 MET CE :methyl 138:sc= -0.849 (180deg=-3.71!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc=-0.000858 USER MOD Set 2.1: A 41 THR OG1 : rot -76:sc= -0.484 USER MOD Set 2.2: A 48 GLN : amide:sc= -5.98! C(o=-12!,f=-25!) USER MOD Set 2.3: A 75 MET CE :methyl 147:sc= -5.05! (180deg=-6.98!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 148:sc= 0.535 (180deg=-0.734) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -112:sc= -0.112 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0694) USER MOD Single : A 25 ASN : amide:sc= -0.0414 K(o=-0.041,f=-2.9!) USER MOD Single : A 26 THR OG1 : rot -112:sc= 1.56 USER MOD Single : A 31 MET CE :methyl -124:sc= -0.346 (180deg=-1.49) USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= 0.786 (180deg=0.146) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.592 F(o=-1.7,f=-0.59) USER MOD Single : A 44 GLN : amide:sc= -0.287 K(o=-0.29,f=-7.1!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0568 K(o=-0.057,f=-0.76) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0208) USER MOD Single : A 67 MET CE :methyl -153:sc= -1.12 (180deg=-2.83!) USER MOD Single : A 68 LYS NZ :NH3+ 156:sc= -0.224 (180deg=-1.13) USER MOD Single : A 69 ASN : amide:sc= -4.85! C(o=-4.8!,f=-8.1!) USER MOD Single : A 71 MET CE :methyl -162:sc= -1.74! (180deg=-2.26) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -147:sc= -0.175 (180deg=-0.934) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.514 -4.197 -27.290 1.00 0.00 N ATOM 2 CA GLY A 1 -7.263 -2.994 -26.515 1.00 0.00 C ATOM 3 C GLY A 1 -6.181 -2.134 -27.172 1.00 0.00 C ATOM 4 O GLY A 1 -4.990 -2.379 -26.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.251 -4.763 -26.824 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.831 -3.935 -28.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.639 -4.756 -27.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.184 -2.418 -26.422 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.954 -3.265 -25.506 1.00 0.00 H new ATOM 8 N SER A 2 -6.634 -1.144 -27.927 1.00 0.00 N ATOM 9 CA SER A 2 -5.720 -0.247 -28.612 1.00 0.00 C ATOM 10 C SER A 2 -4.693 0.308 -27.624 1.00 0.00 C ATOM 11 O SER A 2 -3.490 0.128 -27.807 1.00 0.00 O ATOM 12 CB SER A 2 -6.477 0.898 -29.290 1.00 0.00 C ATOM 13 OG SER A 2 -5.896 1.254 -30.542 1.00 0.00 O ATOM 0 H SER A 2 -7.622 -0.944 -28.079 1.00 0.00 H new ATOM 0 HA SER A 2 -5.201 -0.813 -29.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.516 0.606 -29.442 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.484 1.768 -28.633 1.00 0.00 H new ATOM 0 HG SER A 2 -6.408 1.986 -30.944 1.00 0.00 H new ATOM 19 N SER A 3 -5.204 0.973 -26.598 1.00 0.00 N ATOM 20 CA SER A 3 -4.346 1.555 -25.581 1.00 0.00 C ATOM 21 C SER A 3 -4.849 1.170 -24.188 1.00 0.00 C ATOM 22 O SER A 3 -6.050 1.008 -23.981 1.00 0.00 O ATOM 23 CB SER A 3 -4.282 3.078 -25.720 1.00 0.00 C ATOM 24 OG SER A 3 -3.428 3.481 -26.787 1.00 0.00 O ATOM 0 H SER A 3 -6.202 1.121 -26.450 1.00 0.00 H new ATOM 0 HA SER A 3 -3.339 1.162 -25.718 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.285 3.469 -25.891 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.925 3.513 -24.786 1.00 0.00 H new ATOM 0 HG SER A 3 -3.415 4.459 -26.844 1.00 0.00 H new ATOM 30 N GLY A 4 -3.904 1.034 -23.270 1.00 0.00 N ATOM 31 CA GLY A 4 -4.236 0.670 -21.903 1.00 0.00 C ATOM 32 C GLY A 4 -4.693 1.894 -21.106 1.00 0.00 C ATOM 33 O GLY A 4 -5.684 2.533 -21.456 1.00 0.00 O ATOM 0 H GLY A 4 -2.908 1.169 -23.446 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.024 -0.083 -21.904 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.367 0.221 -21.421 1.00 0.00 H new ATOM 37 N SER A 5 -3.949 2.184 -20.049 1.00 0.00 N ATOM 38 CA SER A 5 -4.265 3.319 -19.199 1.00 0.00 C ATOM 39 C SER A 5 -5.560 3.052 -18.430 1.00 0.00 C ATOM 40 O SER A 5 -6.637 2.995 -19.021 1.00 0.00 O ATOM 41 CB SER A 5 -4.391 4.604 -20.021 1.00 0.00 C ATOM 42 OG SER A 5 -3.240 4.836 -20.828 1.00 0.00 O ATOM 0 H SER A 5 -3.127 1.652 -19.762 1.00 0.00 H new ATOM 0 HA SER A 5 -3.449 3.452 -18.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.274 4.542 -20.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.540 5.450 -19.350 1.00 0.00 H new ATOM 0 HG SER A 5 -3.360 5.664 -21.338 1.00 0.00 H new ATOM 48 N SER A 6 -5.413 2.896 -17.122 1.00 0.00 N ATOM 49 CA SER A 6 -6.557 2.637 -16.266 1.00 0.00 C ATOM 50 C SER A 6 -6.474 3.500 -15.005 1.00 0.00 C ATOM 51 O SER A 6 -7.241 4.448 -14.846 1.00 0.00 O ATOM 52 CB SER A 6 -6.640 1.156 -15.891 1.00 0.00 C ATOM 53 OG SER A 6 -6.053 0.320 -16.884 1.00 0.00 O ATOM 0 H SER A 6 -4.518 2.944 -16.635 1.00 0.00 H new ATOM 0 HA SER A 6 -7.461 2.896 -16.817 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.137 0.995 -14.938 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.684 0.875 -15.752 1.00 0.00 H new ATOM 0 HG SER A 6 -6.125 -0.617 -16.607 1.00 0.00 H new ATOM 59 N GLY A 7 -5.537 3.139 -14.141 1.00 0.00 N ATOM 60 CA GLY A 7 -5.343 3.869 -12.899 1.00 0.00 C ATOM 61 C GLY A 7 -6.569 3.743 -11.992 1.00 0.00 C ATOM 62 O GLY A 7 -7.684 4.062 -12.402 1.00 0.00 O ATOM 0 H GLY A 7 -4.904 2.351 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.463 3.487 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.154 4.920 -13.117 1.00 0.00 H new ATOM 66 N TYR A 8 -6.321 3.277 -10.777 1.00 0.00 N ATOM 67 CA TYR A 8 -7.391 3.104 -9.809 1.00 0.00 C ATOM 68 C TYR A 8 -7.062 3.817 -8.496 1.00 0.00 C ATOM 69 O TYR A 8 -5.906 4.148 -8.238 1.00 0.00 O ATOM 70 CB TYR A 8 -7.486 1.600 -9.549 1.00 0.00 C ATOM 71 CG TYR A 8 -8.104 0.807 -10.702 1.00 0.00 C ATOM 72 CD1 TYR A 8 -7.468 0.759 -11.926 1.00 0.00 C ATOM 73 CD2 TYR A 8 -9.298 0.139 -10.519 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.049 0.013 -13.011 1.00 0.00 C ATOM 75 CE2 TYR A 8 -9.879 -0.608 -11.604 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.227 -0.634 -12.797 1.00 0.00 C ATOM 77 OH TYR A 8 -9.776 -1.339 -13.822 1.00 0.00 O ATOM 0 H TYR A 8 -5.395 3.014 -10.441 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.323 3.522 -10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.487 1.212 -9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.078 1.434 -8.649 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.534 1.282 -12.070 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.796 0.177 -9.562 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.561 -0.032 -13.973 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.812 -1.136 -11.473 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.615 -1.749 -13.525 1.00 0.00 H new ATOM 87 N SER A 9 -8.099 4.033 -7.701 1.00 0.00 N ATOM 88 CA SER A 9 -7.935 4.700 -6.420 1.00 0.00 C ATOM 89 C SER A 9 -8.410 3.787 -5.289 1.00 0.00 C ATOM 90 O SER A 9 -9.382 3.049 -5.448 1.00 0.00 O ATOM 91 CB SER A 9 -8.699 6.026 -6.388 1.00 0.00 C ATOM 92 OG SER A 9 -8.733 6.591 -5.081 1.00 0.00 O ATOM 0 H SER A 9 -9.057 3.758 -7.919 1.00 0.00 H new ATOM 0 HA SER A 9 -6.876 4.918 -6.281 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.231 6.731 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.718 5.866 -6.740 1.00 0.00 H new ATOM 0 HG SER A 9 -9.228 7.437 -5.103 1.00 0.00 H new ATOM 98 N VAL A 10 -7.703 3.865 -4.171 1.00 0.00 N ATOM 99 CA VAL A 10 -8.041 3.054 -3.014 1.00 0.00 C ATOM 100 C VAL A 10 -7.682 3.819 -1.739 1.00 0.00 C ATOM 101 O VAL A 10 -7.279 4.980 -1.799 1.00 0.00 O ATOM 102 CB VAL A 10 -7.349 1.693 -3.109 1.00 0.00 C ATOM 103 CG1 VAL A 10 -7.935 0.858 -4.249 1.00 0.00 C ATOM 104 CG2 VAL A 10 -5.836 1.856 -3.271 1.00 0.00 C ATOM 0 H VAL A 10 -6.898 4.477 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.113 2.857 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.530 1.160 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.425 -0.104 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.999 0.697 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.799 1.385 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.369 0.873 -3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.626 2.418 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.434 2.393 -2.412 1.00 0.00 H new ATOM 114 N THR A 11 -7.841 3.138 -0.613 1.00 0.00 N ATOM 115 CA THR A 11 -7.539 3.739 0.675 1.00 0.00 C ATOM 116 C THR A 11 -6.690 2.789 1.521 1.00 0.00 C ATOM 117 O THR A 11 -7.105 1.666 1.805 1.00 0.00 O ATOM 118 CB THR A 11 -8.863 4.126 1.338 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.197 5.377 0.743 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.700 4.451 2.824 1.00 0.00 C ATOM 0 H THR A 11 -8.175 2.175 -0.566 1.00 0.00 H new ATOM 0 HA THR A 11 -6.941 4.643 0.559 1.00 0.00 H new ATOM 0 HB THR A 11 -9.579 3.313 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.044 5.700 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.668 4.719 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.305 3.579 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.010 5.287 2.940 1.00 0.00 H new ATOM 128 N VAL A 12 -5.517 3.273 1.900 1.00 0.00 N ATOM 129 CA VAL A 12 -4.606 2.481 2.708 1.00 0.00 C ATOM 130 C VAL A 12 -4.913 2.711 4.189 1.00 0.00 C ATOM 131 O VAL A 12 -4.875 3.844 4.666 1.00 0.00 O ATOM 132 CB VAL A 12 -3.158 2.810 2.340 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.195 2.352 3.437 1.00 0.00 C ATOM 134 CG2 VAL A 12 -2.782 2.196 0.990 1.00 0.00 C ATOM 0 H VAL A 12 -5.176 4.205 1.662 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.744 1.418 2.508 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.074 3.893 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.173 2.598 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.441 2.857 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.284 1.274 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.748 2.445 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.892 1.113 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.438 2.592 0.215 1.00 0.00 H new ATOM 144 N LYS A 13 -5.210 1.617 4.876 1.00 0.00 N ATOM 145 CA LYS A 13 -5.524 1.686 6.293 1.00 0.00 C ATOM 146 C LYS A 13 -4.440 0.954 7.087 1.00 0.00 C ATOM 147 O LYS A 13 -4.348 -0.272 7.034 1.00 0.00 O ATOM 148 CB LYS A 13 -6.937 1.162 6.555 1.00 0.00 C ATOM 149 CG LYS A 13 -7.870 2.295 6.987 1.00 0.00 C ATOM 150 CD LYS A 13 -9.244 1.751 7.386 1.00 0.00 C ATOM 151 CE LYS A 13 -9.183 1.051 8.744 1.00 0.00 C ATOM 152 NZ LYS A 13 -9.673 1.949 9.814 1.00 0.00 N ATOM 0 H LYS A 13 -5.240 0.679 4.478 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.525 2.722 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.326 0.689 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.907 0.396 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.430 2.833 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.981 3.011 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.965 2.568 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.596 1.052 6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.786 0.143 8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.158 0.747 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.132 1.385 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.872 2.473 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.360 2.621 9.416 1.00 0.00 H new ATOM 166 N TRP A 14 -3.646 1.736 7.804 1.00 0.00 N ATOM 167 CA TRP A 14 -2.572 1.177 8.607 1.00 0.00 C ATOM 168 C TRP A 14 -2.802 1.594 10.061 1.00 0.00 C ATOM 169 O TRP A 14 -2.470 2.713 10.449 1.00 0.00 O ATOM 170 CB TRP A 14 -1.205 1.608 8.071 1.00 0.00 C ATOM 171 CG TRP A 14 -0.025 0.878 8.716 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.147 -0.443 8.865 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.148 1.486 9.298 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.339 -0.730 9.497 1.00 0.00 N ATOM 175 CE2 TRP A 14 1.968 0.480 9.768 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.504 2.840 9.422 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.196 0.723 10.395 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.735 3.066 10.050 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.572 2.065 10.529 1.00 0.00 C ATOM 0 H TRP A 14 -3.725 2.752 7.845 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.576 0.088 8.552 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.179 1.439 6.994 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.086 2.680 8.229 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.559 -1.189 8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.694 -1.659 9.724 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.878 3.643 9.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.820 -0.081 10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.057 4.090 10.171 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.508 2.321 11.002 1.00 0.00 H new ATOM 190 N GLY A 15 -3.370 0.673 10.825 1.00 0.00 N ATOM 191 CA GLY A 15 -3.649 0.931 12.227 1.00 0.00 C ATOM 192 C GLY A 15 -4.069 2.386 12.443 1.00 0.00 C ATOM 193 O GLY A 15 -4.918 2.905 11.720 1.00 0.00 O ATOM 0 H GLY A 15 -3.645 -0.254 10.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.440 0.265 12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.764 0.712 12.824 1.00 0.00 H new ATOM 197 N LYS A 16 -3.456 3.003 13.443 1.00 0.00 N ATOM 198 CA LYS A 16 -3.756 4.389 13.763 1.00 0.00 C ATOM 199 C LYS A 16 -3.545 5.253 12.519 1.00 0.00 C ATOM 200 O LYS A 16 -4.280 6.213 12.293 1.00 0.00 O ATOM 201 CB LYS A 16 -2.941 4.846 14.975 1.00 0.00 C ATOM 202 CG LYS A 16 -3.766 4.743 16.260 1.00 0.00 C ATOM 203 CD LYS A 16 -3.968 6.121 16.894 1.00 0.00 C ATOM 204 CE LYS A 16 -4.988 6.056 18.032 1.00 0.00 C ATOM 205 NZ LYS A 16 -6.362 5.954 17.492 1.00 0.00 N ATOM 0 H LYS A 16 -2.754 2.569 14.042 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.802 4.496 14.051 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.043 4.235 15.065 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.613 5.875 14.830 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.735 4.295 16.039 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.263 4.083 16.967 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.017 6.493 17.274 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.307 6.828 16.137 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.777 5.197 18.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.902 6.945 18.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.048 6.081 18.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.508 6.691 16.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.496 5.018 17.060 1.00 0.00 H new ATOM 219 N GLU A 17 -2.537 4.881 11.743 1.00 0.00 N ATOM 220 CA GLU A 17 -2.220 5.611 10.527 1.00 0.00 C ATOM 221 C GLU A 17 -3.357 5.471 9.513 1.00 0.00 C ATOM 222 O GLU A 17 -3.845 4.369 9.269 1.00 0.00 O ATOM 223 CB GLU A 17 -0.894 5.134 9.932 1.00 0.00 C ATOM 224 CG GLU A 17 0.245 5.280 10.944 1.00 0.00 C ATOM 225 CD GLU A 17 1.259 6.328 10.481 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.834 7.241 9.740 1.00 0.00 O ATOM 227 OE2 GLU A 17 2.436 6.194 10.880 1.00 0.00 O ATOM 0 H GLU A 17 -1.930 4.084 11.933 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.110 6.666 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.982 4.091 9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.665 5.710 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.161 5.565 11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.744 4.320 11.077 1.00 0.00 H new ATOM 234 N LYS A 18 -3.747 6.605 8.949 1.00 0.00 N ATOM 235 CA LYS A 18 -4.818 6.624 7.967 1.00 0.00 C ATOM 236 C LYS A 18 -4.309 7.269 6.677 1.00 0.00 C ATOM 237 O LYS A 18 -3.631 8.295 6.717 1.00 0.00 O ATOM 238 CB LYS A 18 -6.063 7.300 8.544 1.00 0.00 C ATOM 239 CG LYS A 18 -7.228 7.240 7.555 1.00 0.00 C ATOM 240 CD LYS A 18 -8.539 6.910 8.271 1.00 0.00 C ATOM 241 CE LYS A 18 -8.715 5.398 8.425 1.00 0.00 C ATOM 242 NZ LYS A 18 -8.904 5.040 9.848 1.00 0.00 N ATOM 0 H LYS A 18 -3.340 7.518 9.154 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.124 5.608 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.347 6.812 9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.838 8.339 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.322 8.196 7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.025 6.486 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.550 7.383 9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.378 7.322 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.574 5.065 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.841 4.882 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.077 4.507 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.011 5.907 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.758 4.454 9.948 1.00 0.00 H new ATOM 256 N PHE A 19 -4.657 6.643 5.562 1.00 0.00 N ATOM 257 CA PHE A 19 -4.244 7.143 4.262 1.00 0.00 C ATOM 258 C PHE A 19 -5.395 7.073 3.257 1.00 0.00 C ATOM 259 O PHE A 19 -5.808 5.987 2.855 1.00 0.00 O ATOM 260 CB PHE A 19 -3.105 6.245 3.778 1.00 0.00 C ATOM 261 CG PHE A 19 -1.882 6.240 4.698 1.00 0.00 C ATOM 262 CD1 PHE A 19 -1.022 7.294 4.692 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.654 5.182 5.521 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.112 7.290 5.546 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.520 5.177 6.375 1.00 0.00 C ATOM 266 CZ PHE A 19 0.340 6.231 6.369 1.00 0.00 C ATOM 0 H PHE A 19 -5.221 5.793 5.532 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.933 8.184 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.477 5.225 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.798 6.570 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.202 8.134 4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.336 4.345 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.794 8.128 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.340 4.337 7.029 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.204 6.227 7.017 1.00 0.00 H new ATOM 276 N GLU A 20 -5.881 8.247 2.879 1.00 0.00 N ATOM 277 CA GLU A 20 -6.976 8.332 1.929 1.00 0.00 C ATOM 278 C GLU A 20 -6.556 9.152 0.707 1.00 0.00 C ATOM 279 O GLU A 20 -6.133 10.300 0.841 1.00 0.00 O ATOM 280 CB GLU A 20 -8.226 8.925 2.583 1.00 0.00 C ATOM 281 CG GLU A 20 -8.626 8.125 3.825 1.00 0.00 C ATOM 282 CD GLU A 20 -9.733 8.839 4.603 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.838 8.964 4.032 1.00 0.00 O ATOM 284 OE2 GLU A 20 -9.451 9.242 5.752 1.00 0.00 O ATOM 0 H GLU A 20 -5.536 9.147 3.214 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.223 7.323 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.039 9.963 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.048 8.929 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.966 7.133 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.757 7.985 4.468 1.00 0.00 H new ATOM 291 N GLY A 21 -6.688 8.532 -0.456 1.00 0.00 N ATOM 292 CA GLY A 21 -6.327 9.190 -1.700 1.00 0.00 C ATOM 293 C GLY A 21 -4.956 8.720 -2.191 1.00 0.00 C ATOM 294 O GLY A 21 -4.076 9.537 -2.460 1.00 0.00 O ATOM 0 H GLY A 21 -7.040 7.581 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.081 8.980 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.314 10.270 -1.554 1.00 0.00 H new ATOM 298 N VAL A 22 -4.818 7.407 -2.294 1.00 0.00 N ATOM 299 CA VAL A 22 -3.569 6.819 -2.748 1.00 0.00 C ATOM 300 C VAL A 22 -3.685 6.470 -4.233 1.00 0.00 C ATOM 301 O VAL A 22 -4.774 6.168 -4.721 1.00 0.00 O ATOM 302 CB VAL A 22 -3.211 5.613 -1.877 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.860 5.024 -2.285 1.00 0.00 C ATOM 304 CG2 VAL A 22 -3.221 5.987 -0.393 1.00 0.00 C ATOM 0 H VAL A 22 -5.550 6.733 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.751 7.532 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.971 4.848 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.630 4.168 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.902 4.703 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.084 5.780 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.963 5.112 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.493 6.777 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.214 6.338 -0.113 1.00 0.00 H new ATOM 314 N GLU A 23 -2.548 6.522 -4.911 1.00 0.00 N ATOM 315 CA GLU A 23 -2.508 6.215 -6.331 1.00 0.00 C ATOM 316 C GLU A 23 -2.265 4.720 -6.544 1.00 0.00 C ATOM 317 O GLU A 23 -1.343 4.149 -5.963 1.00 0.00 O ATOM 318 CB GLU A 23 -1.443 7.052 -7.043 1.00 0.00 C ATOM 319 CG GLU A 23 -0.078 6.885 -6.374 1.00 0.00 C ATOM 320 CD GLU A 23 1.055 7.078 -7.384 1.00 0.00 C ATOM 321 OE1 GLU A 23 1.283 8.247 -7.765 1.00 0.00 O ATOM 322 OE2 GLU A 23 1.668 6.053 -7.752 1.00 0.00 O ATOM 0 H GLU A 23 -1.647 6.772 -4.503 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.474 6.471 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.379 6.752 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.732 8.103 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.025 7.607 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.007 5.893 -5.927 1.00 0.00 H new ATOM 329 N LEU A 24 -3.107 4.129 -7.379 1.00 0.00 N ATOM 330 CA LEU A 24 -2.995 2.711 -7.676 1.00 0.00 C ATOM 331 C LEU A 24 -3.192 2.492 -9.178 1.00 0.00 C ATOM 332 O LEU A 24 -4.055 3.118 -9.792 1.00 0.00 O ATOM 333 CB LEU A 24 -3.958 1.903 -6.805 1.00 0.00 C ATOM 334 CG LEU A 24 -4.340 0.519 -7.332 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.350 -0.544 -6.850 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.782 0.169 -6.962 1.00 0.00 C ATOM 0 H LEU A 24 -3.870 4.606 -7.859 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.998 2.348 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.510 1.783 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.871 2.484 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.284 0.541 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.645 -1.519 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.350 -0.298 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.349 -0.573 -5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.027 -0.820 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.890 0.171 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.458 0.906 -7.396 1.00 0.00 H new ATOM 348 N ASN A 25 -2.380 1.600 -9.725 1.00 0.00 N ATOM 349 CA ASN A 25 -2.454 1.291 -11.143 1.00 0.00 C ATOM 350 C ASN A 25 -2.526 -0.227 -11.326 1.00 0.00 C ATOM 351 O ASN A 25 -1.825 -0.972 -10.644 1.00 0.00 O ATOM 352 CB ASN A 25 -1.215 1.798 -11.883 1.00 0.00 C ATOM 353 CG ASN A 25 -1.334 3.292 -12.192 1.00 0.00 C ATOM 354 OD1 ASN A 25 -2.067 4.028 -11.552 1.00 0.00 O ATOM 355 ND2 ASN A 25 -0.576 3.696 -13.207 1.00 0.00 N ATOM 0 H ASN A 25 -1.667 1.081 -9.212 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.340 1.779 -11.549 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.326 1.618 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.087 1.240 -12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.586 4.675 -13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.015 3.027 -13.700 1.00 0.00 H new ATOM 362 N THR A 26 -3.381 -0.639 -12.250 1.00 0.00 N ATOM 363 CA THR A 26 -3.554 -2.054 -12.531 1.00 0.00 C ATOM 364 C THR A 26 -2.773 -2.448 -13.787 1.00 0.00 C ATOM 365 O THR A 26 -2.354 -3.596 -13.927 1.00 0.00 O ATOM 366 CB THR A 26 -5.054 -2.336 -12.637 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.575 -1.195 -13.313 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.751 -2.312 -11.275 1.00 0.00 C ATOM 0 H THR A 26 -3.961 -0.018 -12.814 1.00 0.00 H new ATOM 0 HA THR A 26 -3.149 -2.668 -11.727 1.00 0.00 H new ATOM 0 HB THR A 26 -5.209 -3.307 -13.108 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.134 -0.677 -12.697 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.813 -2.518 -11.406 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.311 -3.071 -10.628 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.625 -1.330 -10.819 1.00 0.00 H new ATOM 376 N ASP A 27 -2.599 -1.473 -14.667 1.00 0.00 N ATOM 377 CA ASP A 27 -1.875 -1.703 -15.906 1.00 0.00 C ATOM 378 C ASP A 27 -0.484 -2.252 -15.584 1.00 0.00 C ATOM 379 O ASP A 27 0.167 -2.844 -16.443 1.00 0.00 O ATOM 380 CB ASP A 27 -1.700 -0.402 -16.691 1.00 0.00 C ATOM 381 CG ASP A 27 -0.870 -0.525 -17.970 1.00 0.00 C ATOM 382 OD1 ASP A 27 -0.793 -1.660 -18.489 1.00 0.00 O ATOM 383 OD2 ASP A 27 -0.332 0.517 -18.401 1.00 0.00 O ATOM 0 H ASP A 27 -2.947 -0.522 -14.547 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.448 -2.411 -16.505 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.686 -0.017 -16.951 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.231 0.337 -16.041 1.00 0.00 H new ATOM 388 N GLU A 28 -0.070 -2.036 -14.344 1.00 0.00 N ATOM 389 CA GLU A 28 1.232 -2.502 -13.898 1.00 0.00 C ATOM 390 C GLU A 28 1.071 -3.589 -12.832 1.00 0.00 C ATOM 391 O GLU A 28 -0.048 -3.975 -12.499 1.00 0.00 O ATOM 392 CB GLU A 28 2.080 -1.342 -13.374 1.00 0.00 C ATOM 393 CG GLU A 28 1.508 0.003 -13.825 1.00 0.00 C ATOM 394 CD GLU A 28 1.774 0.240 -15.313 1.00 0.00 C ATOM 395 OE1 GLU A 28 2.846 0.807 -15.615 1.00 0.00 O ATOM 396 OE2 GLU A 28 0.899 -0.151 -16.116 1.00 0.00 O ATOM 0 H GLU A 28 -0.613 -1.544 -13.634 1.00 0.00 H new ATOM 0 HA GLU A 28 1.754 -2.933 -14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.119 -1.378 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.104 -1.444 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.435 0.028 -13.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.954 0.807 -13.239 1.00 0.00 H new ATOM 403 N PRO A 29 2.235 -4.063 -12.314 1.00 0.00 N ATOM 404 CA PRO A 29 2.234 -5.097 -11.294 1.00 0.00 C ATOM 405 C PRO A 29 1.822 -4.526 -9.935 1.00 0.00 C ATOM 406 O PRO A 29 1.743 -3.310 -9.767 1.00 0.00 O ATOM 407 CB PRO A 29 3.647 -5.657 -11.299 1.00 0.00 C ATOM 408 CG PRO A 29 4.508 -4.610 -11.988 1.00 0.00 C ATOM 409 CD PRO A 29 3.579 -3.629 -12.685 1.00 0.00 C ATOM 0 HA PRO A 29 1.507 -5.884 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.997 -5.844 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.688 -6.608 -11.830 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.134 -4.092 -11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.177 -5.080 -12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.768 -2.606 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.718 -3.652 -13.766 1.00 0.00 H new ATOM 417 N PRO A 30 1.563 -5.455 -8.976 1.00 0.00 N ATOM 418 CA PRO A 30 1.161 -5.056 -7.638 1.00 0.00 C ATOM 419 C PRO A 30 2.354 -4.519 -6.844 1.00 0.00 C ATOM 420 O PRO A 30 2.177 -3.851 -5.826 1.00 0.00 O ATOM 421 CB PRO A 30 0.553 -6.305 -7.022 1.00 0.00 C ATOM 422 CG PRO A 30 1.054 -7.470 -7.859 1.00 0.00 C ATOM 423 CD PRO A 30 1.646 -6.903 -9.139 1.00 0.00 C ATOM 0 HA PRO A 30 0.441 -4.238 -7.642 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.856 -6.414 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.536 -6.256 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.805 -8.039 -7.311 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.238 -8.155 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.678 -7.228 -9.276 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.088 -7.236 -10.014 1.00 0.00 H new ATOM 431 N MET A 31 3.542 -4.829 -7.340 1.00 0.00 N ATOM 432 CA MET A 31 4.764 -4.386 -6.691 1.00 0.00 C ATOM 433 C MET A 31 4.823 -2.858 -6.619 1.00 0.00 C ATOM 434 O MET A 31 5.396 -2.299 -5.684 1.00 0.00 O ATOM 435 CB MET A 31 5.974 -4.908 -7.467 1.00 0.00 C ATOM 436 CG MET A 31 5.923 -6.431 -7.604 1.00 0.00 C ATOM 437 SD MET A 31 7.573 -7.083 -7.798 1.00 0.00 S ATOM 438 CE MET A 31 8.155 -6.957 -6.115 1.00 0.00 C ATOM 0 H MET A 31 3.685 -5.382 -8.185 1.00 0.00 H new ATOM 0 HA MET A 31 4.777 -4.780 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.001 -4.451 -8.456 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.892 -4.616 -6.956 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.452 -6.868 -6.723 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.311 -6.707 -8.463 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.071 -6.367 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.395 -6.473 -5.502 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.355 -7.954 -5.724 1.00 0.00 H new ATOM 448 N VAL A 32 4.224 -2.227 -7.618 1.00 0.00 N ATOM 449 CA VAL A 32 4.201 -0.776 -7.679 1.00 0.00 C ATOM 450 C VAL A 32 3.400 -0.232 -6.495 1.00 0.00 C ATOM 451 O VAL A 32 3.944 0.468 -5.642 1.00 0.00 O ATOM 452 CB VAL A 32 3.653 -0.318 -9.032 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.580 1.209 -9.106 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.489 -0.883 -10.182 1.00 0.00 C ATOM 0 H VAL A 32 3.751 -2.694 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 32 5.211 -0.375 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 32 2.640 -0.707 -9.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.187 1.508 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.923 1.580 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.578 1.628 -8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.078 -0.542 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.519 -0.538 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.467 -1.972 -10.147 1.00 0.00 H new ATOM 464 N PHE A 33 2.120 -0.573 -6.480 1.00 0.00 N ATOM 465 CA PHE A 33 1.239 -0.128 -5.414 1.00 0.00 C ATOM 466 C PHE A 33 1.851 -0.414 -4.041 1.00 0.00 C ATOM 467 O PHE A 33 1.613 0.324 -3.086 1.00 0.00 O ATOM 468 CB PHE A 33 -0.065 -0.916 -5.553 1.00 0.00 C ATOM 469 CG PHE A 33 -1.117 -0.569 -4.498 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.792 0.609 -4.573 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.378 -1.439 -3.486 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.769 0.932 -3.594 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.355 -1.116 -2.507 1.00 0.00 C ATOM 474 CZ PHE A 33 -3.030 0.062 -2.582 1.00 0.00 C ATOM 0 H PHE A 33 1.672 -1.153 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 33 1.075 0.947 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.484 -0.734 -6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.158 -1.981 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.585 1.299 -5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.843 -2.375 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.304 1.868 -3.653 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.562 -1.806 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.773 0.307 -1.838 1.00 0.00 H new ATOM 484 N LYS A 34 2.627 -1.486 -3.987 1.00 0.00 N ATOM 485 CA LYS A 34 3.275 -1.878 -2.747 1.00 0.00 C ATOM 486 C LYS A 34 4.572 -1.085 -2.581 1.00 0.00 C ATOM 487 O LYS A 34 5.061 -0.914 -1.465 1.00 0.00 O ATOM 488 CB LYS A 34 3.471 -3.395 -2.701 1.00 0.00 C ATOM 489 CG LYS A 34 2.131 -4.125 -2.810 1.00 0.00 C ATOM 490 CD LYS A 34 2.335 -5.640 -2.872 1.00 0.00 C ATOM 491 CE LYS A 34 1.002 -6.379 -2.743 1.00 0.00 C ATOM 492 NZ LYS A 34 1.204 -7.709 -2.127 1.00 0.00 N ATOM 0 H LYS A 34 2.822 -2.095 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 34 2.642 -1.636 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.125 -3.705 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.966 -3.673 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.505 -3.874 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.601 -3.789 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.813 -5.908 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.007 -5.953 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.311 -5.792 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.546 -6.493 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.527 -8.386 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.174 -8.035 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.053 -7.642 -1.100 1.00 0.00 H new ATOM 506 N ALA A 35 5.093 -0.621 -3.707 1.00 0.00 N ATOM 507 CA ALA A 35 6.325 0.150 -3.701 1.00 0.00 C ATOM 508 C ALA A 35 6.056 1.526 -3.089 1.00 0.00 C ATOM 509 O ALA A 35 6.954 2.140 -2.515 1.00 0.00 O ATOM 510 CB ALA A 35 6.877 0.242 -5.125 1.00 0.00 C ATOM 0 H ALA A 35 4.684 -0.764 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 35 7.083 -0.340 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.801 0.820 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.078 -0.760 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.146 0.732 -5.768 1.00 0.00 H new ATOM 516 N GLN A 36 4.816 1.971 -3.233 1.00 0.00 N ATOM 517 CA GLN A 36 4.418 3.263 -2.702 1.00 0.00 C ATOM 518 C GLN A 36 4.112 3.151 -1.207 1.00 0.00 C ATOM 519 O GLN A 36 4.590 3.956 -0.409 1.00 0.00 O ATOM 520 CB GLN A 36 3.218 3.824 -3.467 1.00 0.00 C ATOM 521 CG GLN A 36 2.536 4.942 -2.674 1.00 0.00 C ATOM 522 CD GLN A 36 2.317 6.179 -3.548 1.00 0.00 C ATOM 523 OE1 GLN A 36 1.167 6.805 -3.320 1.00 0.00 O flip ATOM 524 NE2 GLN A 36 3.139 6.540 -4.375 1.00 0.00 N flip ATOM 0 H GLN A 36 4.074 1.459 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 36 5.247 3.959 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.545 4.206 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.503 3.026 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.579 4.589 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.147 5.206 -1.811 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.003 6.012 -4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.962 7.369 -4.942 1.00 0.00 H new ATOM 533 N LEU A 37 3.315 2.146 -0.872 1.00 0.00 N ATOM 534 CA LEU A 37 2.939 1.918 0.513 1.00 0.00 C ATOM 535 C LEU A 37 4.188 1.988 1.394 1.00 0.00 C ATOM 536 O LEU A 37 4.097 2.288 2.583 1.00 0.00 O ATOM 537 CB LEU A 37 2.164 0.607 0.648 1.00 0.00 C ATOM 538 CG LEU A 37 0.810 0.551 -0.063 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.213 -0.229 0.765 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.315 1.957 -0.409 1.00 0.00 C ATOM 0 H LEU A 37 2.919 1.481 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 37 2.261 2.699 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.787 -0.201 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.004 0.410 1.708 1.00 0.00 H new ATOM 0 HG LEU A 37 0.939 0.014 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.166 -0.253 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.143 -1.248 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.346 0.258 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.649 1.889 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.206 2.540 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.035 2.445 -1.066 1.00 0.00 H new ATOM 552 N PHE A 38 5.326 1.707 0.776 1.00 0.00 N ATOM 553 CA PHE A 38 6.592 1.734 1.489 1.00 0.00 C ATOM 554 C PHE A 38 6.941 3.156 1.933 1.00 0.00 C ATOM 555 O PHE A 38 7.513 3.353 3.004 1.00 0.00 O ATOM 556 CB PHE A 38 7.664 1.239 0.516 1.00 0.00 C ATOM 557 CG PHE A 38 9.016 0.952 1.174 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.147 1.041 2.524 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.085 0.608 0.407 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.402 0.775 3.134 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.340 0.342 1.017 1.00 0.00 C ATOM 562 CZ PHE A 38 11.471 0.431 2.368 1.00 0.00 C ATOM 0 H PHE A 38 5.398 1.459 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 38 6.531 1.109 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.308 0.331 0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.803 1.985 -0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.297 1.314 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.980 0.537 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.507 0.846 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.190 0.069 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.425 0.228 2.832 1.00 0.00 H new ATOM 572 N ALA A 39 6.581 4.110 1.087 1.00 0.00 N ATOM 573 CA ALA A 39 6.849 5.509 1.379 1.00 0.00 C ATOM 574 C ALA A 39 5.651 6.110 2.117 1.00 0.00 C ATOM 575 O ALA A 39 5.703 7.255 2.562 1.00 0.00 O ATOM 576 CB ALA A 39 7.165 6.250 0.079 1.00 0.00 C ATOM 0 H ALA A 39 6.106 3.942 0.200 1.00 0.00 H new ATOM 0 HA ALA A 39 7.719 5.606 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.366 7.299 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.041 5.803 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.314 6.177 -0.598 1.00 0.00 H new ATOM 582 N LEU A 40 4.601 5.309 2.225 1.00 0.00 N ATOM 583 CA LEU A 40 3.392 5.748 2.901 1.00 0.00 C ATOM 584 C LEU A 40 3.539 5.508 4.405 1.00 0.00 C ATOM 585 O LEU A 40 3.381 6.431 5.203 1.00 0.00 O ATOM 586 CB LEU A 40 2.161 5.076 2.289 1.00 0.00 C ATOM 587 CG LEU A 40 1.735 5.585 0.910 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.385 4.994 0.500 1.00 0.00 C ATOM 589 CD2 LEU A 40 1.728 7.114 0.868 1.00 0.00 C ATOM 0 H LEU A 40 4.562 4.359 1.856 1.00 0.00 H new ATOM 0 HA LEU A 40 3.245 6.819 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.355 4.006 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.324 5.202 2.975 1.00 0.00 H new ATOM 0 HG LEU A 40 2.470 5.246 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.106 5.372 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.460 3.907 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.374 5.281 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.422 7.449 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.029 7.495 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.728 7.489 1.085 1.00 0.00 H new ATOM 601 N THR A 41 3.839 4.264 4.747 1.00 0.00 N ATOM 602 CA THR A 41 4.009 3.892 6.141 1.00 0.00 C ATOM 603 C THR A 41 5.492 3.702 6.466 1.00 0.00 C ATOM 604 O THR A 41 6.012 4.318 7.395 1.00 0.00 O ATOM 605 CB THR A 41 3.166 2.642 6.403 1.00 0.00 C ATOM 606 OG1 THR A 41 3.883 1.596 5.754 1.00 0.00 O ATOM 607 CG2 THR A 41 1.821 2.680 5.674 1.00 0.00 C ATOM 0 H THR A 41 3.969 3.501 4.083 1.00 0.00 H new ATOM 0 HA THR A 41 3.661 4.683 6.806 1.00 0.00 H new ATOM 0 HB THR A 41 2.996 2.538 7.475 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.742 1.654 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.262 1.770 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.250 3.546 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.991 2.751 4.600 1.00 0.00 H new ATOM 615 N GLY A 42 6.132 2.847 5.681 1.00 0.00 N ATOM 616 CA GLY A 42 7.545 2.569 5.874 1.00 0.00 C ATOM 617 C GLY A 42 7.825 1.067 5.789 1.00 0.00 C ATOM 618 O GLY A 42 8.981 0.647 5.774 1.00 0.00 O ATOM 0 H GLY A 42 5.698 2.338 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.129 3.095 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.865 2.948 6.845 1.00 0.00 H new ATOM 622 N VAL A 43 6.747 0.299 5.735 1.00 0.00 N ATOM 623 CA VAL A 43 6.861 -1.147 5.652 1.00 0.00 C ATOM 624 C VAL A 43 7.174 -1.547 4.208 1.00 0.00 C ATOM 625 O VAL A 43 6.695 -0.916 3.268 1.00 0.00 O ATOM 626 CB VAL A 43 5.590 -1.805 6.193 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.750 -3.324 6.270 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.209 -1.223 7.555 1.00 0.00 C ATOM 0 H VAL A 43 5.790 0.651 5.747 1.00 0.00 H new ATOM 0 HA VAL A 43 7.683 -1.502 6.274 1.00 0.00 H new ATOM 0 HB VAL A 43 4.778 -1.589 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.833 -3.767 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.952 -3.720 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.580 -3.569 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.302 -1.708 7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.020 -1.394 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.033 -0.152 7.457 1.00 0.00 H new ATOM 638 N GLN A 44 7.976 -2.594 4.079 1.00 0.00 N ATOM 639 CA GLN A 44 8.358 -3.086 2.766 1.00 0.00 C ATOM 640 C GLN A 44 7.142 -3.669 2.043 1.00 0.00 C ATOM 641 O GLN A 44 6.153 -4.033 2.678 1.00 0.00 O ATOM 642 CB GLN A 44 9.480 -4.121 2.874 1.00 0.00 C ATOM 643 CG GLN A 44 10.792 -3.464 3.305 1.00 0.00 C ATOM 644 CD GLN A 44 10.744 -3.059 4.780 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.863 -3.447 5.528 1.00 0.00 O ATOM 646 NE2 GLN A 44 11.739 -2.260 5.154 1.00 0.00 N ATOM 0 H GLN A 44 8.372 -3.115 4.862 1.00 0.00 H new ATOM 0 HA GLN A 44 8.736 -2.248 2.181 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.201 -4.891 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.616 -4.617 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.620 -4.154 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.982 -2.585 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.445 -1.973 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.797 -1.935 6.119 1.00 0.00 H new ATOM 655 N PRO A 45 7.258 -3.742 0.690 1.00 0.00 N ATOM 656 CA PRO A 45 6.180 -4.275 -0.126 1.00 0.00 C ATOM 657 C PRO A 45 6.111 -5.799 -0.015 1.00 0.00 C ATOM 658 O PRO A 45 5.289 -6.436 -0.672 1.00 0.00 O ATOM 659 CB PRO A 45 6.481 -3.795 -1.537 1.00 0.00 C ATOM 660 CG PRO A 45 7.951 -3.408 -1.541 1.00 0.00 C ATOM 661 CD PRO A 45 8.414 -3.321 -0.096 1.00 0.00 C ATOM 0 HA PRO A 45 5.198 -3.930 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.282 -4.579 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.853 -2.945 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.539 -4.147 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.093 -2.452 -2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.272 -3.968 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.720 -2.307 0.161 1.00 0.00 H new ATOM 669 N ALA A 46 6.984 -6.341 0.822 1.00 0.00 N ATOM 670 CA ALA A 46 7.032 -7.778 1.027 1.00 0.00 C ATOM 671 C ALA A 46 6.350 -8.122 2.353 1.00 0.00 C ATOM 672 O ALA A 46 5.812 -9.217 2.512 1.00 0.00 O ATOM 673 CB ALA A 46 8.485 -8.253 0.978 1.00 0.00 C ATOM 0 H ALA A 46 7.664 -5.810 1.366 1.00 0.00 H new ATOM 0 HA ALA A 46 6.493 -8.297 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.521 -9.331 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.914 -8.011 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.057 -7.756 1.761 1.00 0.00 H new ATOM 679 N ARG A 47 6.396 -7.168 3.271 1.00 0.00 N ATOM 680 CA ARG A 47 5.790 -7.356 4.577 1.00 0.00 C ATOM 681 C ARG A 47 4.366 -6.797 4.588 1.00 0.00 C ATOM 682 O ARG A 47 3.485 -7.344 5.250 1.00 0.00 O ATOM 683 CB ARG A 47 6.610 -6.666 5.670 1.00 0.00 C ATOM 684 CG ARG A 47 8.108 -6.878 5.447 1.00 0.00 C ATOM 685 CD ARG A 47 8.787 -7.381 6.723 1.00 0.00 C ATOM 686 NE ARG A 47 8.280 -6.631 7.894 1.00 0.00 N ATOM 687 CZ ARG A 47 8.770 -6.757 9.135 1.00 0.00 C ATOM 688 NH1 ARG A 47 9.781 -7.603 9.374 1.00 0.00 N ATOM 689 NH2 ARG A 47 8.248 -6.036 10.138 1.00 0.00 N ATOM 0 H ARG A 47 6.844 -6.262 3.136 1.00 0.00 H new ATOM 0 HA ARG A 47 5.765 -8.427 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.387 -5.599 5.678 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.325 -7.058 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.261 -7.597 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.568 -5.942 5.131 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.595 -8.446 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.867 -7.259 6.642 1.00 0.00 H new ATOM 0 HE ARG A 47 7.510 -5.978 7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.178 -8.152 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.154 -7.699 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.478 -5.392 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.621 -6.132 11.083 1.00 0.00 H new ATOM 703 N GLN A 48 4.184 -5.715 3.846 1.00 0.00 N ATOM 704 CA GLN A 48 2.882 -5.076 3.761 1.00 0.00 C ATOM 705 C GLN A 48 1.850 -6.048 3.187 1.00 0.00 C ATOM 706 O GLN A 48 1.721 -6.176 1.971 1.00 0.00 O ATOM 707 CB GLN A 48 2.953 -3.796 2.926 1.00 0.00 C ATOM 708 CG GLN A 48 3.690 -2.688 3.681 1.00 0.00 C ATOM 709 CD GLN A 48 3.797 -1.421 2.830 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.402 -0.339 3.230 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.351 -1.616 1.637 1.00 0.00 N ATOM 0 H GLN A 48 4.917 -5.264 3.298 1.00 0.00 H new ATOM 0 HA GLN A 48 2.569 -4.797 4.767 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.462 -4.000 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.945 -3.463 2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.164 -2.464 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.688 -3.031 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.660 -2.549 1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.467 -0.833 0.994 1.00 0.00 H new ATOM 720 N LYS A 49 1.140 -6.709 4.090 1.00 0.00 N ATOM 721 CA LYS A 49 0.123 -7.666 3.689 1.00 0.00 C ATOM 722 C LYS A 49 -1.090 -6.914 3.139 1.00 0.00 C ATOM 723 O LYS A 49 -1.979 -6.524 3.895 1.00 0.00 O ATOM 724 CB LYS A 49 -0.211 -8.610 4.846 1.00 0.00 C ATOM 725 CG LYS A 49 -0.989 -9.831 4.351 1.00 0.00 C ATOM 726 CD LYS A 49 -1.915 -10.370 5.443 1.00 0.00 C ATOM 727 CE LYS A 49 -2.563 -11.687 5.011 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.842 -12.539 6.189 1.00 0.00 N ATOM 0 H LYS A 49 1.249 -6.600 5.098 1.00 0.00 H new ATOM 0 HA LYS A 49 0.495 -8.303 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.709 -8.934 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.799 -8.079 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.575 -9.562 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.292 -10.610 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.349 -10.523 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.689 -9.635 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.490 -11.484 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.904 -12.214 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.282 -13.429 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.952 -12.748 6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.489 -12.040 6.833 1.00 0.00 H new ATOM 742 N VAL A 50 -1.089 -6.733 1.827 1.00 0.00 N ATOM 743 CA VAL A 50 -2.179 -6.034 1.167 1.00 0.00 C ATOM 744 C VAL A 50 -3.328 -7.012 0.917 1.00 0.00 C ATOM 745 O VAL A 50 -3.293 -7.787 -0.038 1.00 0.00 O ATOM 746 CB VAL A 50 -1.673 -5.366 -0.114 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.784 -4.558 -0.786 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.452 -4.490 0.171 1.00 0.00 C ATOM 0 H VAL A 50 -0.351 -7.058 1.203 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.563 -5.237 1.804 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.367 -6.152 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.398 -4.094 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.612 -5.220 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.135 -3.784 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.112 -4.027 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.720 -3.714 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.348 -5.104 0.584 1.00 0.00 H new ATOM 758 N MET A 51 -4.321 -6.945 1.792 1.00 0.00 N ATOM 759 CA MET A 51 -5.479 -7.815 1.678 1.00 0.00 C ATOM 760 C MET A 51 -6.441 -7.309 0.601 1.00 0.00 C ATOM 761 O MET A 51 -6.274 -6.206 0.082 1.00 0.00 O ATOM 762 CB MET A 51 -6.206 -7.876 3.023 1.00 0.00 C ATOM 763 CG MET A 51 -5.739 -9.081 3.843 1.00 0.00 C ATOM 764 SD MET A 51 -7.130 -10.131 4.232 1.00 0.00 S ATOM 765 CE MET A 51 -7.312 -10.991 2.678 1.00 0.00 C ATOM 0 H MET A 51 -4.347 -6.301 2.583 1.00 0.00 H new ATOM 0 HA MET A 51 -5.136 -8.810 1.394 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.023 -6.958 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.281 -7.939 2.857 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.993 -9.645 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.260 -8.743 4.762 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.509 -12.046 2.867 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.143 -10.561 2.119 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.395 -10.891 2.097 1.00 0.00 H new ATOM 775 N VAL A 52 -7.428 -8.139 0.297 1.00 0.00 N ATOM 776 CA VAL A 52 -8.417 -7.790 -0.709 1.00 0.00 C ATOM 777 C VAL A 52 -9.814 -8.120 -0.180 1.00 0.00 C ATOM 778 O VAL A 52 -9.965 -8.969 0.697 1.00 0.00 O ATOM 779 CB VAL A 52 -8.094 -8.497 -2.027 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.986 -7.980 -3.158 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.614 -8.345 -2.383 1.00 0.00 C ATOM 0 H VAL A 52 -7.564 -9.053 0.730 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.392 -6.720 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.299 -9.560 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.737 -8.498 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.031 -8.163 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.826 -6.910 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.412 -8.857 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.371 -7.287 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.003 -8.783 -1.593 1.00 0.00 H new ATOM 791 N LYS A 53 -10.800 -7.430 -0.735 1.00 0.00 N ATOM 792 CA LYS A 53 -12.180 -7.639 -0.331 1.00 0.00 C ATOM 793 C LYS A 53 -12.385 -9.113 0.023 1.00 0.00 C ATOM 794 O LYS A 53 -13.100 -9.434 0.971 1.00 0.00 O ATOM 795 CB LYS A 53 -13.137 -7.125 -1.407 1.00 0.00 C ATOM 796 CG LYS A 53 -12.984 -5.616 -1.603 1.00 0.00 C ATOM 797 CD LYS A 53 -14.303 -4.983 -2.050 1.00 0.00 C ATOM 798 CE LYS A 53 -14.998 -4.281 -0.882 1.00 0.00 C ATOM 799 NZ LYS A 53 -16.329 -4.879 -0.636 1.00 0.00 N ATOM 0 H LYS A 53 -10.670 -6.726 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.407 -7.061 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.941 -7.639 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.164 -7.356 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.654 -5.157 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.212 -5.419 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.114 -4.266 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.959 -5.751 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.385 -4.362 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.105 -3.218 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.787 -4.391 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.917 -4.780 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.219 -5.888 -0.407 1.00 0.00 H new ATOM 813 N GLY A 54 -11.746 -9.971 -0.759 1.00 0.00 N ATOM 814 CA GLY A 54 -11.850 -11.404 -0.541 1.00 0.00 C ATOM 815 C GLY A 54 -10.666 -12.141 -1.168 1.00 0.00 C ATOM 816 O GLY A 54 -10.838 -13.197 -1.776 1.00 0.00 O ATOM 0 H GLY A 54 -11.154 -9.701 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.887 -11.611 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.781 -11.774 -0.969 1.00 0.00 H new ATOM 820 N GLY A 55 -9.489 -11.557 -0.999 1.00 0.00 N ATOM 821 CA GLY A 55 -8.276 -12.145 -1.541 1.00 0.00 C ATOM 822 C GLY A 55 -7.036 -11.391 -1.055 1.00 0.00 C ATOM 823 O GLY A 55 -7.123 -10.568 -0.145 1.00 0.00 O ATOM 0 H GLY A 55 -9.350 -10.682 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.210 -13.191 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.314 -12.126 -2.630 1.00 0.00 H new ATOM 827 N THR A 56 -5.911 -11.699 -1.683 1.00 0.00 N ATOM 828 CA THR A 56 -4.656 -11.061 -1.326 1.00 0.00 C ATOM 829 C THR A 56 -3.966 -10.506 -2.574 1.00 0.00 C ATOM 830 O THR A 56 -4.011 -11.121 -3.638 1.00 0.00 O ATOM 831 CB THR A 56 -3.806 -12.081 -0.565 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.630 -12.471 0.530 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.582 -11.446 0.097 1.00 0.00 C ATOM 0 H THR A 56 -5.843 -12.382 -2.437 1.00 0.00 H new ATOM 0 HA THR A 56 -4.820 -10.203 -0.674 1.00 0.00 H new ATOM 0 HB THR A 56 -3.482 -12.866 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.157 -13.133 1.076 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.014 -12.213 0.623 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.953 -10.988 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.906 -10.684 0.806 1.00 0.00 H new ATOM 841 N LEU A 57 -3.343 -9.350 -2.402 1.00 0.00 N ATOM 842 CA LEU A 57 -2.644 -8.705 -3.501 1.00 0.00 C ATOM 843 C LEU A 57 -1.420 -9.540 -3.881 1.00 0.00 C ATOM 844 O LEU A 57 -0.589 -9.854 -3.030 1.00 0.00 O ATOM 845 CB LEU A 57 -2.313 -7.254 -3.147 1.00 0.00 C ATOM 846 CG LEU A 57 -2.672 -6.207 -4.204 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.820 -4.948 -4.040 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.566 -6.792 -5.613 1.00 0.00 C ATOM 0 H LEU A 57 -3.307 -8.843 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.283 -8.656 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.830 -7.000 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.244 -7.185 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.711 -5.913 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.095 -4.220 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.990 -4.520 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.766 -5.205 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.826 -6.027 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.545 -7.131 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.251 -7.635 -5.710 1.00 0.00 H new ATOM 860 N LYS A 58 -1.348 -9.877 -5.161 1.00 0.00 N ATOM 861 CA LYS A 58 -0.239 -10.670 -5.664 1.00 0.00 C ATOM 862 C LYS A 58 1.033 -9.820 -5.660 1.00 0.00 C ATOM 863 O LYS A 58 1.039 -8.708 -5.134 1.00 0.00 O ATOM 864 CB LYS A 58 -0.581 -11.259 -7.035 1.00 0.00 C ATOM 865 CG LYS A 58 -1.430 -12.524 -6.892 1.00 0.00 C ATOM 866 CD LYS A 58 -1.349 -13.384 -8.154 1.00 0.00 C ATOM 867 CE LYS A 58 -1.339 -14.873 -7.803 1.00 0.00 C ATOM 868 NZ LYS A 58 0.022 -15.434 -7.959 1.00 0.00 N ATOM 0 H LYS A 58 -2.039 -9.615 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.054 -11.524 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.120 -10.520 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.337 -11.492 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.088 -13.100 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.467 -12.250 -6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.197 -13.165 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.448 -13.132 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.681 -15.013 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.036 -15.409 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.010 -16.445 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.335 -15.317 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.678 -14.934 -7.326 1.00 0.00 H new ATOM 882 N ASP A 59 2.080 -10.376 -6.252 1.00 0.00 N ATOM 883 CA ASP A 59 3.355 -9.683 -6.323 1.00 0.00 C ATOM 884 C ASP A 59 3.845 -9.673 -7.772 1.00 0.00 C ATOM 885 O ASP A 59 4.264 -8.636 -8.282 1.00 0.00 O ATOM 886 CB ASP A 59 4.413 -10.388 -5.471 1.00 0.00 C ATOM 887 CG ASP A 59 5.861 -10.114 -5.881 1.00 0.00 C ATOM 888 OD1 ASP A 59 6.103 -9.002 -6.399 1.00 0.00 O ATOM 889 OD2 ASP A 59 6.693 -11.022 -5.667 1.00 0.00 O ATOM 0 H ASP A 59 2.071 -11.299 -6.687 1.00 0.00 H new ATOM 0 HA ASP A 59 3.209 -8.669 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.282 -10.085 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.236 -11.463 -5.515 1.00 0.00 H new ATOM 894 N ASP A 60 3.776 -10.841 -8.395 1.00 0.00 N ATOM 895 CA ASP A 60 4.208 -10.980 -9.775 1.00 0.00 C ATOM 896 C ASP A 60 3.261 -10.193 -10.683 1.00 0.00 C ATOM 897 O ASP A 60 3.705 -9.394 -11.506 1.00 0.00 O ATOM 898 CB ASP A 60 4.178 -12.444 -10.217 1.00 0.00 C ATOM 899 CG ASP A 60 2.908 -13.208 -9.838 1.00 0.00 C ATOM 900 OD1 ASP A 60 2.790 -13.555 -8.643 1.00 0.00 O ATOM 901 OD2 ASP A 60 2.084 -13.428 -10.752 1.00 0.00 O ATOM 0 H ASP A 60 3.427 -11.700 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 60 5.228 -10.602 -9.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.298 -12.484 -11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.036 -12.957 -9.782 1.00 0.00 H new ATOM 906 N ASP A 61 1.973 -10.446 -10.502 1.00 0.00 N ATOM 907 CA ASP A 61 0.959 -9.771 -11.294 1.00 0.00 C ATOM 908 C ASP A 61 -0.395 -9.890 -10.591 1.00 0.00 C ATOM 909 O ASP A 61 -0.617 -10.821 -9.818 1.00 0.00 O ATOM 910 CB ASP A 61 0.829 -10.406 -12.680 1.00 0.00 C ATOM 911 CG ASP A 61 2.105 -10.383 -13.523 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.499 -9.267 -13.926 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.658 -11.481 -13.747 1.00 0.00 O ATOM 0 H ASP A 61 1.608 -11.109 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 61 1.255 -8.728 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.509 -11.441 -12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.040 -9.890 -13.227 1.00 0.00 H new ATOM 918 N TRP A 62 -1.264 -8.933 -10.883 1.00 0.00 N ATOM 919 CA TRP A 62 -2.590 -8.920 -10.289 1.00 0.00 C ATOM 920 C TRP A 62 -3.323 -10.185 -10.738 1.00 0.00 C ATOM 921 O TRP A 62 -3.682 -11.025 -9.914 1.00 0.00 O ATOM 922 CB TRP A 62 -3.339 -7.635 -10.649 1.00 0.00 C ATOM 923 CG TRP A 62 -2.658 -6.358 -10.153 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.568 -5.757 -10.650 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.069 -5.543 -9.035 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.248 -4.620 -9.937 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.190 -4.485 -8.924 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.148 -5.694 -8.147 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.299 -3.498 -7.938 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.244 -4.699 -7.167 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.367 -3.628 -7.042 1.00 0.00 C ATOM 0 H TRP A 62 -1.076 -8.161 -11.523 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.525 -8.924 -9.201 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.446 -7.580 -11.732 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.345 -7.684 -10.232 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.010 -6.117 -11.502 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.464 -3.994 -10.120 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.848 -6.513 -8.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.597 -2.680 -7.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.056 -4.768 -6.459 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.509 -2.899 -6.257 1.00 0.00 H new ATOM 942 N GLY A 63 -3.523 -10.282 -12.044 1.00 0.00 N ATOM 943 CA GLY A 63 -4.207 -11.431 -12.613 1.00 0.00 C ATOM 944 C GLY A 63 -5.695 -11.137 -12.819 1.00 0.00 C ATOM 945 O GLY A 63 -6.550 -11.838 -12.279 1.00 0.00 O ATOM 0 H GLY A 63 -3.223 -9.584 -12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.750 -11.696 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.090 -12.291 -11.954 1.00 0.00 H new ATOM 949 N ASN A 64 -5.958 -10.100 -13.600 1.00 0.00 N ATOM 950 CA ASN A 64 -7.327 -9.705 -13.883 1.00 0.00 C ATOM 951 C ASN A 64 -8.135 -9.713 -12.584 1.00 0.00 C ATOM 952 O ASN A 64 -9.149 -10.401 -12.484 1.00 0.00 O ATOM 953 CB ASN A 64 -7.991 -10.680 -14.858 1.00 0.00 C ATOM 954 CG ASN A 64 -7.573 -10.383 -16.300 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.466 -9.243 -16.720 1.00 0.00 O ATOM 956 ND2 ASN A 64 -7.344 -11.470 -17.031 1.00 0.00 N ATOM 0 H ASN A 64 -5.246 -9.521 -14.046 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.306 -8.709 -14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.716 -11.703 -14.599 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.075 -10.609 -14.768 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.060 -11.378 -18.006 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.452 -12.396 -16.616 1.00 0.00 H new ATOM 963 N ILE A 65 -7.654 -8.940 -11.621 1.00 0.00 N ATOM 964 CA ILE A 65 -8.319 -8.849 -10.333 1.00 0.00 C ATOM 965 C ILE A 65 -9.505 -7.888 -10.442 1.00 0.00 C ATOM 966 O ILE A 65 -9.405 -6.843 -11.082 1.00 0.00 O ATOM 967 CB ILE A 65 -7.319 -8.469 -9.239 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.231 -9.536 -9.096 1.00 0.00 C ATOM 969 CG2 ILE A 65 -8.032 -8.196 -7.914 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.247 -9.169 -7.983 1.00 0.00 C ATOM 0 H ILE A 65 -6.812 -8.371 -11.707 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.720 -9.820 -10.043 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.825 -7.543 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.689 -10.501 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.695 -9.643 -10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.298 -7.928 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.737 -7.375 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.570 -9.090 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.484 -9.943 -7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.773 -8.216 -8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.782 -9.086 -7.037 1.00 0.00 H new ATOM 982 N LYS A 66 -10.601 -8.277 -9.807 1.00 0.00 N ATOM 983 CA LYS A 66 -11.805 -7.463 -9.825 1.00 0.00 C ATOM 984 C LYS A 66 -11.608 -6.250 -8.914 1.00 0.00 C ATOM 985 O LYS A 66 -12.226 -6.158 -7.854 1.00 0.00 O ATOM 986 CB LYS A 66 -13.028 -8.309 -9.467 1.00 0.00 C ATOM 987 CG LYS A 66 -13.582 -9.023 -10.702 1.00 0.00 C ATOM 988 CD LYS A 66 -14.685 -8.197 -11.365 1.00 0.00 C ATOM 989 CE LYS A 66 -15.153 -8.851 -12.667 1.00 0.00 C ATOM 990 NZ LYS A 66 -14.166 -8.621 -13.746 1.00 0.00 N ATOM 0 H LYS A 66 -10.681 -9.145 -9.277 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.993 -7.081 -10.829 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.757 -9.044 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.800 -7.673 -9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.777 -9.200 -11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.975 -9.999 -10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.528 -8.095 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.318 -7.192 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.291 -9.921 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.121 -8.443 -12.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.551 -8.967 -14.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.966 -7.603 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.287 -9.131 -13.527 1.00 0.00 H new ATOM 1004 N MET A 67 -10.746 -5.348 -9.361 1.00 0.00 N ATOM 1005 CA MET A 67 -10.461 -4.144 -8.599 1.00 0.00 C ATOM 1006 C MET A 67 -11.432 -3.020 -8.966 1.00 0.00 C ATOM 1007 O MET A 67 -12.116 -3.094 -9.986 1.00 0.00 O ATOM 1008 CB MET A 67 -9.027 -3.691 -8.879 1.00 0.00 C ATOM 1009 CG MET A 67 -8.017 -4.724 -8.375 1.00 0.00 C ATOM 1010 SD MET A 67 -7.898 -4.644 -6.596 1.00 0.00 S ATOM 1011 CE MET A 67 -7.174 -3.024 -6.406 1.00 0.00 C ATOM 0 H MET A 67 -10.236 -5.427 -10.241 1.00 0.00 H new ATOM 0 HA MET A 67 -10.580 -4.370 -7.539 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.893 -3.538 -9.950 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.844 -2.732 -8.395 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.323 -5.724 -8.683 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.040 -4.538 -8.822 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.604 -2.987 -5.478 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.512 -2.821 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.964 -2.274 -6.376 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.463 -2.006 -8.114 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.339 -0.868 -8.336 1.00 0.00 C ATOM 1023 C LYS A 68 -11.780 0.351 -7.600 1.00 0.00 C ATOM 1024 O LYS A 68 -11.008 0.209 -6.653 1.00 0.00 O ATOM 1025 CB LYS A 68 -13.777 -1.216 -7.946 1.00 0.00 C ATOM 1026 CG LYS A 68 -13.865 -1.613 -6.471 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.203 -2.288 -6.164 1.00 0.00 C ATOM 1028 CE LYS A 68 -15.016 -3.471 -5.212 1.00 0.00 C ATOM 1029 NZ LYS A 68 -16.129 -3.535 -4.239 1.00 0.00 N ATOM 0 H LYS A 68 -10.895 -1.949 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.373 -0.613 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.426 -0.361 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.138 -2.034 -8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.047 -2.290 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.748 -0.728 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.886 -1.564 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.662 -2.632 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.969 -4.399 -5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.068 -3.373 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.226 -4.508 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.931 -2.896 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.013 -3.245 -4.704 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.192 1.522 -8.064 1.00 0.00 N ATOM 1044 CA ASN A 69 -11.742 2.766 -7.462 1.00 0.00 C ATOM 1045 C ASN A 69 -12.742 3.198 -6.387 1.00 0.00 C ATOM 1046 O ASN A 69 -13.867 3.583 -6.700 1.00 0.00 O ATOM 1047 CB ASN A 69 -11.656 3.882 -8.504 1.00 0.00 C ATOM 1048 CG ASN A 69 -11.125 3.349 -9.836 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -10.615 2.245 -9.934 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -11.274 4.193 -10.854 1.00 0.00 N ATOM 0 H ASN A 69 -12.832 1.636 -8.850 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.754 2.596 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.642 4.323 -8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.003 4.675 -8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.952 3.930 -11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.710 5.103 -10.703 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.294 3.120 -5.142 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.136 3.498 -4.020 1.00 0.00 C ATOM 1059 C GLY A 70 -12.942 2.541 -2.842 1.00 0.00 C ATOM 1060 O GLY A 70 -12.986 2.957 -1.685 1.00 0.00 O ATOM 0 H GLY A 70 -11.360 2.801 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.899 4.516 -3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.182 3.494 -4.328 1.00 0.00 H new ATOM 1064 N MET A 71 -12.732 1.277 -3.177 1.00 0.00 N ATOM 1065 CA MET A 71 -12.531 0.257 -2.162 1.00 0.00 C ATOM 1066 C MET A 71 -11.404 0.650 -1.205 1.00 0.00 C ATOM 1067 O MET A 71 -10.687 1.620 -1.449 1.00 0.00 O ATOM 1068 CB MET A 71 -12.189 -1.074 -2.835 1.00 0.00 C ATOM 1069 CG MET A 71 -10.877 -0.972 -3.615 1.00 0.00 C ATOM 1070 SD MET A 71 -10.753 -2.319 -4.780 1.00 0.00 S ATOM 1071 CE MET A 71 -10.921 -3.706 -3.669 1.00 0.00 C ATOM 0 H MET A 71 -12.697 0.936 -4.138 1.00 0.00 H new ATOM 0 HA MET A 71 -13.452 0.157 -1.587 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.108 -1.857 -2.081 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.996 -1.363 -3.509 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.831 -0.019 -4.142 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.032 -0.997 -2.927 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.555 -4.609 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.340 -3.521 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.971 -3.836 -3.405 1.00 0.00 H new ATOM 1081 N THR A 72 -11.281 -0.123 -0.136 1.00 0.00 N ATOM 1082 CA THR A 72 -10.253 0.132 0.859 1.00 0.00 C ATOM 1083 C THR A 72 -9.183 -0.960 0.811 1.00 0.00 C ATOM 1084 O THR A 72 -9.451 -2.079 0.377 1.00 0.00 O ATOM 1085 CB THR A 72 -10.935 0.256 2.223 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.315 1.627 2.298 1.00 0.00 O ATOM 1087 CG2 THR A 72 -9.957 0.076 3.385 1.00 0.00 C ATOM 0 H THR A 72 -11.877 -0.927 0.063 1.00 0.00 H new ATOM 0 HA THR A 72 -9.729 1.066 0.656 1.00 0.00 H new ATOM 0 HB THR A 72 -11.730 -0.486 2.300 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.766 1.795 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.492 0.173 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.501 -0.912 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.180 0.838 3.328 1.00 0.00 H new ATOM 1095 N VAL A 73 -7.992 -0.596 1.264 1.00 0.00 N ATOM 1096 CA VAL A 73 -6.880 -1.531 1.279 1.00 0.00 C ATOM 1097 C VAL A 73 -6.393 -1.714 2.718 1.00 0.00 C ATOM 1098 O VAL A 73 -6.071 -0.741 3.397 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.779 -1.049 0.332 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.470 -1.802 0.585 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.215 -1.182 -1.128 1.00 0.00 C ATOM 0 H VAL A 73 -7.773 0.333 1.623 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.198 -2.509 0.916 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.602 0.008 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.704 -1.441 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.146 -1.634 1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.627 -2.869 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.414 -0.833 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.433 -2.227 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.109 -0.581 -1.297 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.353 -2.970 3.140 1.00 0.00 N ATOM 1112 CA LEU A 74 -5.911 -3.293 4.486 1.00 0.00 C ATOM 1113 C LEU A 74 -4.422 -3.647 4.457 1.00 0.00 C ATOM 1114 O LEU A 74 -4.012 -4.566 3.751 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.791 -4.389 5.090 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.725 -4.540 6.611 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.274 -4.597 7.093 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.517 -3.431 7.307 1.00 0.00 C ATOM 0 H LEU A 74 -6.619 -3.775 2.574 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.022 -2.429 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.826 -4.193 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.513 -5.341 4.638 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.192 -5.487 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.255 -4.704 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.772 -5.449 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.760 -3.678 6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.454 -3.562 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.102 -2.461 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.561 -3.479 6.996 1.00 0.00 H new ATOM 1130 N MET A 75 -3.654 -2.897 5.234 1.00 0.00 N ATOM 1131 CA MET A 75 -2.220 -3.119 5.307 1.00 0.00 C ATOM 1132 C MET A 75 -1.812 -3.619 6.694 1.00 0.00 C ATOM 1133 O MET A 75 -2.240 -3.068 7.707 1.00 0.00 O ATOM 1134 CB MET A 75 -1.485 -1.813 4.998 1.00 0.00 C ATOM 1135 CG MET A 75 -0.304 -2.058 4.056 1.00 0.00 C ATOM 1136 SD MET A 75 0.727 -0.603 3.978 1.00 0.00 S ATOM 1137 CE MET A 75 1.676 -0.816 5.474 1.00 0.00 C ATOM 0 H MET A 75 -3.998 -2.135 5.818 1.00 0.00 H new ATOM 0 HA MET A 75 -1.951 -3.880 4.574 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.175 -1.102 4.544 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.128 -1.364 5.925 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.280 -2.909 4.406 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.669 -2.309 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.680 -0.416 5.328 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.189 -0.285 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.739 -1.877 5.717 1.00 0.00 H new ATOM 1147 N MET A 76 -0.990 -4.658 6.695 1.00 0.00 N ATOM 1148 CA MET A 76 -0.520 -5.239 7.941 1.00 0.00 C ATOM 1149 C MET A 76 0.987 -5.500 7.891 1.00 0.00 C ATOM 1150 O MET A 76 1.478 -6.143 6.965 1.00 0.00 O ATOM 1151 CB MET A 76 -1.257 -6.554 8.202 1.00 0.00 C ATOM 1152 CG MET A 76 -2.671 -6.296 8.728 1.00 0.00 C ATOM 1153 SD MET A 76 -2.700 -6.460 10.505 1.00 0.00 S ATOM 1154 CE MET A 76 -2.412 -8.215 10.659 1.00 0.00 C ATOM 0 H MET A 76 -0.637 -5.113 5.853 1.00 0.00 H new ATOM 0 HA MET A 76 -0.721 -4.533 8.747 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.308 -7.135 7.281 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.700 -7.150 8.925 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.998 -5.296 8.441 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.370 -7.001 8.278 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.944 -8.596 11.531 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.772 -8.723 9.764 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.344 -8.400 10.776 1.00 0.00 H new ATOM 1164 N GLY A 77 1.678 -4.987 8.898 1.00 0.00 N ATOM 1165 CA GLY A 77 3.119 -5.156 8.980 1.00 0.00 C ATOM 1166 C GLY A 77 3.744 -4.096 9.889 1.00 0.00 C ATOM 1167 O GLY A 77 3.040 -3.425 10.642 1.00 0.00 O ATOM 0 H GLY A 77 1.267 -4.454 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.351 -6.150 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.554 -5.088 7.983 1.00 0.00 H new ATOM 1171 N SER A 78 5.060 -3.979 9.790 1.00 0.00 N ATOM 1172 CA SER A 78 5.788 -3.013 10.594 1.00 0.00 C ATOM 1173 C SER A 78 7.017 -2.517 9.830 1.00 0.00 C ATOM 1174 O SER A 78 7.433 -3.132 8.849 1.00 0.00 O ATOM 1175 CB SER A 78 6.206 -3.617 11.937 1.00 0.00 C ATOM 1176 OG SER A 78 5.081 -3.962 12.739 1.00 0.00 O ATOM 0 H SER A 78 5.641 -4.538 9.165 1.00 0.00 H new ATOM 0 HA SER A 78 5.128 -2.169 10.796 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.813 -4.505 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.831 -2.905 12.476 1.00 0.00 H new ATOM 0 HG SER A 78 5.389 -4.346 13.587 1.00 0.00 H new ATOM 1182 N ALA A 79 7.565 -1.409 10.309 1.00 0.00 N ATOM 1183 CA ALA A 79 8.738 -0.823 9.683 1.00 0.00 C ATOM 1184 C ALA A 79 9.837 -0.648 10.733 1.00 0.00 C ATOM 1185 O ALA A 79 10.535 0.364 10.743 1.00 0.00 O ATOM 1186 CB ALA A 79 8.354 0.499 9.015 1.00 0.00 C ATOM 0 H ALA A 79 7.218 -0.902 11.123 1.00 0.00 H new ATOM 0 HA ALA A 79 9.127 -1.480 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.234 0.939 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.592 0.316 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.962 1.186 9.765 1.00 0.00 H new ATOM 1192 N ASP A 80 9.956 -1.651 11.591 1.00 0.00 N ATOM 1193 CA ASP A 80 10.959 -1.621 12.642 1.00 0.00 C ATOM 1194 C ASP A 80 11.062 -0.201 13.202 1.00 0.00 C ATOM 1195 O ASP A 80 11.859 0.603 12.720 1.00 0.00 O ATOM 1196 CB ASP A 80 12.334 -2.018 12.103 1.00 0.00 C ATOM 1197 CG ASP A 80 12.575 -1.678 10.631 1.00 0.00 C ATOM 1198 OD1 ASP A 80 12.962 -0.518 10.373 1.00 0.00 O ATOM 1199 OD2 ASP A 80 12.367 -2.586 9.798 1.00 0.00 O ATOM 0 H ASP A 80 9.375 -2.489 11.580 1.00 0.00 H new ATOM 0 HA ASP A 80 10.658 -2.327 13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.099 -1.526 12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.464 -3.092 12.238 1.00 0.00 H new ATOM 1204 N ALA A 81 10.245 0.065 14.210 1.00 0.00 N ATOM 1205 CA ALA A 81 10.235 1.374 14.841 1.00 0.00 C ATOM 1206 C ALA A 81 11.672 1.881 14.977 1.00 0.00 C ATOM 1207 O ALA A 81 12.571 1.120 15.332 1.00 0.00 O ATOM 1208 CB ALA A 81 9.517 1.286 16.189 1.00 0.00 C ATOM 0 H ALA A 81 9.585 -0.604 14.606 1.00 0.00 H new ATOM 0 HA ALA A 81 9.689 2.091 14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.510 2.268 16.662 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.492 0.950 16.034 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.037 0.577 16.833 1.00 0.00 H new ATOM 1214 N LEU A 82 11.843 3.162 14.689 1.00 0.00 N ATOM 1215 CA LEU A 82 13.156 3.780 14.775 1.00 0.00 C ATOM 1216 C LEU A 82 13.441 4.161 16.229 1.00 0.00 C ATOM 1217 O LEU A 82 12.527 4.217 17.050 1.00 0.00 O ATOM 1218 CB LEU A 82 13.261 4.954 13.799 1.00 0.00 C ATOM 1219 CG LEU A 82 13.887 4.642 12.439 1.00 0.00 C ATOM 1220 CD1 LEU A 82 12.841 4.715 11.324 1.00 0.00 C ATOM 1221 CD2 LEU A 82 15.083 5.554 12.163 1.00 0.00 C ATOM 0 H LEU A 82 11.095 3.790 14.396 1.00 0.00 H new ATOM 0 HA LEU A 82 13.930 3.074 14.472 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.260 5.353 13.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.845 5.743 14.273 1.00 0.00 H new ATOM 0 HG LEU A 82 14.262 3.619 12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.312 4.489 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.050 3.991 11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.414 5.717 11.290 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.509 5.311 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.756 6.594 12.166 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.838 5.408 12.936 1.00 0.00 H new ATOM 1233 N PRO A 83 14.746 4.420 16.510 1.00 0.00 N ATOM 1234 CA PRO A 83 15.163 4.794 17.851 1.00 0.00 C ATOM 1235 C PRO A 83 14.773 6.241 18.162 1.00 0.00 C ATOM 1236 O PRO A 83 15.637 7.105 18.297 1.00 0.00 O ATOM 1237 CB PRO A 83 16.665 4.566 17.873 1.00 0.00 C ATOM 1238 CG PRO A 83 17.102 4.518 16.418 1.00 0.00 C ATOM 1239 CD PRO A 83 15.855 4.363 15.563 1.00 0.00 C ATOM 0 HA PRO A 83 14.673 4.204 18.625 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.174 5.368 18.407 1.00 0.00 H new ATOM 0 HB3 PRO A 83 16.911 3.636 18.385 1.00 0.00 H new ATOM 0 HG2 PRO A 83 17.638 5.428 16.150 1.00 0.00 H new ATOM 0 HG3 PRO A 83 17.785 3.685 16.252 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.783 5.158 14.821 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.863 3.418 15.019 1.00 0.00 H new ATOM 1247 N GLU A 84 13.470 6.459 18.268 1.00 0.00 N ATOM 1248 CA GLU A 84 12.955 7.786 18.561 1.00 0.00 C ATOM 1249 C GLU A 84 11.637 7.685 19.332 1.00 0.00 C ATOM 1250 O GLU A 84 11.119 6.590 19.542 1.00 0.00 O ATOM 1251 CB GLU A 84 12.780 8.602 17.279 1.00 0.00 C ATOM 1252 CG GLU A 84 13.200 10.057 17.493 1.00 0.00 C ATOM 1253 CD GLU A 84 13.511 10.740 16.160 1.00 0.00 C ATOM 1254 OE1 GLU A 84 12.639 10.666 15.267 1.00 0.00 O ATOM 1255 OE2 GLU A 84 14.614 11.320 16.063 1.00 0.00 O ATOM 0 H GLU A 84 12.756 5.739 18.156 1.00 0.00 H new ATOM 0 HA GLU A 84 13.680 8.306 19.187 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.376 8.162 16.479 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.739 8.564 16.959 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.404 10.597 18.005 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.078 10.095 18.138 1.00 0.00 H new ATOM 1262 N GLU A 85 11.133 8.843 19.732 1.00 0.00 N ATOM 1263 CA GLU A 85 9.885 8.899 20.474 1.00 0.00 C ATOM 1264 C GLU A 85 9.025 10.064 19.981 1.00 0.00 C ATOM 1265 O GLU A 85 8.801 11.028 20.711 1.00 0.00 O ATOM 1266 CB GLU A 85 10.147 9.009 21.978 1.00 0.00 C ATOM 1267 CG GLU A 85 11.166 10.109 22.278 1.00 0.00 C ATOM 1268 CD GLU A 85 11.871 9.855 23.612 1.00 0.00 C ATOM 1269 OE1 GLU A 85 11.198 9.312 24.515 1.00 0.00 O ATOM 1270 OE2 GLU A 85 13.067 10.209 23.699 1.00 0.00 O ATOM 0 H GLU A 85 11.566 9.750 19.556 1.00 0.00 H new ATOM 0 HA GLU A 85 9.339 7.972 20.299 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.213 9.222 22.499 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.514 8.055 22.358 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.903 10.155 21.476 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.664 11.076 22.306 1.00 0.00 H new ATOM 1277 N PRO A 86 8.555 9.934 18.711 1.00 0.00 N ATOM 1278 CA PRO A 86 7.725 10.965 18.111 1.00 0.00 C ATOM 1279 C PRO A 86 6.304 10.924 18.679 1.00 0.00 C ATOM 1280 O PRO A 86 5.707 9.855 18.789 1.00 0.00 O ATOM 1281 CB PRO A 86 7.775 10.690 16.617 1.00 0.00 C ATOM 1282 CG PRO A 86 8.247 9.253 16.473 1.00 0.00 C ATOM 1283 CD PRO A 86 8.800 8.807 17.817 1.00 0.00 C ATOM 0 HA PRO A 86 8.081 11.972 18.329 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.794 10.826 16.162 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.457 11.377 16.116 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.422 8.609 16.167 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.013 9.178 15.701 1.00 0.00 H new ATOM 0 HD2 PRO A 86 8.301 7.905 18.171 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.864 8.578 17.751 1.00 0.00 H new ATOM 1291 N SER A 87 5.806 12.102 19.024 1.00 0.00 N ATOM 1292 CA SER A 87 4.467 12.214 19.578 1.00 0.00 C ATOM 1293 C SER A 87 4.153 13.678 19.896 1.00 0.00 C ATOM 1294 O SER A 87 4.800 14.283 20.750 1.00 0.00 O ATOM 1295 CB SER A 87 4.316 11.354 20.834 1.00 0.00 C ATOM 1296 OG SER A 87 3.064 10.675 20.868 1.00 0.00 O ATOM 0 H SER A 87 6.305 12.987 18.931 1.00 0.00 H new ATOM 0 HA SER A 87 3.758 11.850 18.834 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.125 10.625 20.874 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.411 11.984 21.718 1.00 0.00 H new ATOM 0 HG SER A 87 3.007 10.135 21.684 1.00 0.00 H new ATOM 1302 N ALA A 88 3.162 14.204 19.193 1.00 0.00 N ATOM 1303 CA ALA A 88 2.755 15.585 19.390 1.00 0.00 C ATOM 1304 C ALA A 88 1.338 15.617 19.967 1.00 0.00 C ATOM 1305 O ALA A 88 1.120 16.141 21.058 1.00 0.00 O ATOM 1306 CB ALA A 88 2.862 16.343 18.065 1.00 0.00 C ATOM 0 H ALA A 88 2.628 13.699 18.486 1.00 0.00 H new ATOM 0 HA ALA A 88 3.413 16.081 20.103 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.557 17.379 18.213 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.893 16.315 17.712 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.213 15.875 17.325 1.00 0.00 H new ATOM 1312 N LYS A 89 0.411 15.050 19.208 1.00 0.00 N ATOM 1313 CA LYS A 89 -0.978 15.007 19.630 1.00 0.00 C ATOM 1314 C LYS A 89 -1.256 13.671 20.322 1.00 0.00 C ATOM 1315 O LYS A 89 -0.721 12.638 19.923 1.00 0.00 O ATOM 1316 CB LYS A 89 -1.906 15.291 18.447 1.00 0.00 C ATOM 1317 CG LYS A 89 -2.300 16.769 18.402 1.00 0.00 C ATOM 1318 CD LYS A 89 -1.907 17.400 17.064 1.00 0.00 C ATOM 1319 CE LYS A 89 -0.686 18.309 17.225 1.00 0.00 C ATOM 1320 NZ LYS A 89 -0.958 19.647 16.653 1.00 0.00 N ATOM 0 H LYS A 89 0.595 14.617 18.303 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.179 15.792 20.359 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.410 15.015 17.517 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.801 14.674 18.526 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.375 16.867 18.553 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.813 17.304 19.218 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.689 16.617 16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.744 17.976 16.669 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.432 18.403 18.281 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.175 17.863 16.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.120 20.252 16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.179 19.554 15.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.767 20.077 17.145 1.00 0.00 H new ATOM 1334 N THR A 90 -2.091 13.736 21.349 1.00 0.00 N ATOM 1335 CA THR A 90 -2.446 12.544 22.101 1.00 0.00 C ATOM 1336 C THR A 90 -3.966 12.421 22.220 1.00 0.00 C ATOM 1337 O THR A 90 -4.535 12.705 23.273 1.00 0.00 O ATOM 1338 CB THR A 90 -1.734 12.609 23.453 1.00 0.00 C ATOM 1339 OG1 THR A 90 -0.385 12.260 23.153 1.00 0.00 O ATOM 1340 CG2 THR A 90 -2.198 11.510 24.412 1.00 0.00 C ATOM 0 H THR A 90 -2.532 14.595 21.678 1.00 0.00 H new ATOM 0 HA THR A 90 -2.118 11.640 21.588 1.00 0.00 H new ATOM 0 HB THR A 90 -1.907 13.585 23.907 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.148 12.279 23.975 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.662 11.601 25.357 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.268 11.611 24.591 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.995 10.534 23.972 1.00 0.00 H new ATOM 1348 N SER A 91 -4.581 11.998 21.125 1.00 0.00 N ATOM 1349 CA SER A 91 -6.025 11.835 21.093 1.00 0.00 C ATOM 1350 C SER A 91 -6.418 10.871 19.972 1.00 0.00 C ATOM 1351 O SER A 91 -5.592 10.525 19.128 1.00 0.00 O ATOM 1352 CB SER A 91 -6.728 13.181 20.906 1.00 0.00 C ATOM 1353 OG SER A 91 -6.187 13.919 19.814 1.00 0.00 O ATOM 0 H SER A 91 -4.106 11.763 20.253 1.00 0.00 H new ATOM 0 HA SER A 91 -6.343 11.420 22.049 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.792 13.014 20.739 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.637 13.767 21.820 1.00 0.00 H new ATOM 0 HG SER A 91 -6.664 14.771 19.727 1.00 0.00 H new ATOM 1359 N GLY A 92 -7.679 10.464 19.999 1.00 0.00 N ATOM 1360 CA GLY A 92 -8.191 9.547 18.996 1.00 0.00 C ATOM 1361 C GLY A 92 -9.721 9.559 18.972 1.00 0.00 C ATOM 1362 O GLY A 92 -10.363 8.888 19.778 1.00 0.00 O ATOM 0 H GLY A 92 -8.361 10.753 20.700 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.806 9.824 18.015 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.835 8.538 19.205 1.00 0.00 H new ATOM 1366 N PRO A 93 -10.274 10.350 18.014 1.00 0.00 N ATOM 1367 CA PRO A 93 -11.717 10.458 17.875 1.00 0.00 C ATOM 1368 C PRO A 93 -12.301 9.203 17.224 1.00 0.00 C ATOM 1369 O PRO A 93 -13.350 8.715 17.640 1.00 0.00 O ATOM 1370 CB PRO A 93 -11.939 11.714 17.048 1.00 0.00 C ATOM 1371 CG PRO A 93 -10.612 12.003 16.365 1.00 0.00 C ATOM 1372 CD PRO A 93 -9.545 11.159 17.043 1.00 0.00 C ATOM 0 HA PRO A 93 -12.228 10.533 18.835 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.731 11.564 16.315 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.243 12.549 17.679 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.669 11.765 15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.366 13.062 16.441 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.018 10.533 16.323 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.796 11.784 17.530 1.00 0.00 H new ATOM 1380 N SER A 94 -11.594 8.716 16.214 1.00 0.00 N ATOM 1381 CA SER A 94 -12.030 7.526 15.502 1.00 0.00 C ATOM 1382 C SER A 94 -11.297 6.296 16.041 1.00 0.00 C ATOM 1383 O SER A 94 -10.175 6.403 16.533 1.00 0.00 O ATOM 1384 CB SER A 94 -11.792 7.668 13.997 1.00 0.00 C ATOM 1385 OG SER A 94 -12.772 6.969 13.234 1.00 0.00 O ATOM 0 H SER A 94 -10.724 9.123 15.872 1.00 0.00 H new ATOM 0 HA SER A 94 -13.101 7.403 15.664 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.806 8.724 13.726 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.801 7.288 13.749 1.00 0.00 H new ATOM 0 HG SER A 94 -12.587 7.085 12.279 1.00 0.00 H new ATOM 1391 N SER A 95 -11.962 5.155 15.931 1.00 0.00 N ATOM 1392 CA SER A 95 -11.388 3.906 16.402 1.00 0.00 C ATOM 1393 C SER A 95 -11.954 2.734 15.597 1.00 0.00 C ATOM 1394 O SER A 95 -13.038 2.236 15.898 1.00 0.00 O ATOM 1395 CB SER A 95 -11.657 3.704 17.894 1.00 0.00 C ATOM 1396 OG SER A 95 -10.958 2.577 18.415 1.00 0.00 O ATOM 0 H SER A 95 -12.893 5.069 15.523 1.00 0.00 H new ATOM 0 HA SER A 95 -10.308 3.950 16.258 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.360 4.599 18.440 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.727 3.573 18.055 1.00 0.00 H new ATOM 0 HG SER A 95 -11.155 2.483 19.370 1.00 0.00 H new ATOM 1402 N GLY A 96 -11.196 2.329 14.589 1.00 0.00 N ATOM 1403 CA GLY A 96 -11.608 1.225 13.739 1.00 0.00 C ATOM 1404 C GLY A 96 -11.656 1.652 12.271 1.00 0.00 C ATOM 1405 O GLY A 96 -11.389 0.849 11.378 1.00 0.00 O ATOM 0 H GLY A 96 -10.298 2.746 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.915 0.392 13.857 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.590 0.869 14.050 1.00 0.00 H new TER 1409 GLY A 96