USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot 180:sc= 0.98 USER MOD Set 1.2: A 97 THR OG1 : rot -64:sc= 1.15 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.767 K(o=-0.19,f=-12!) USER MOD Set 2.2: A 52 GLN : amide:sc= 0.574! C(o=-0.19!,f=-14!) USER MOD Set 3.1: A 46 GLN : amide:sc= -1.14 K(o=0.11,f=-2.8!) USER MOD Set 3.2: A 67 THR OG1 : rot -101:sc= 1.26 USER MOD Set 4.1: A 41 GLN : amide:sc= 0.0449 X(o=-1.1,f=-1.1) USER MOD Set 4.2: A 73 GLN :FLIP amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Set 5.1: A 8 THR OG1 : rot 180:sc= -0.703 USER MOD Set 5.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 55:sc= 1.23 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 0.872 (180deg=-0.984!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0458 (180deg=-0.313) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.23) USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 44 THR OG1 : rot -93:sc= 0.24 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -140:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 24:sc= 0.574 USER MOD Single : A 86 TYR OH : rot 180:sc= 0.663 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -170:sc= 0.0493 USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 4.412 6.356 -5.400 1.00 0.00 N ATOM 65 CA TYR A 6 3.616 5.439 -6.170 1.00 0.00 C ATOM 66 C TYR A 6 4.354 4.849 -7.362 1.00 0.00 C ATOM 67 O TYR A 6 3.770 4.156 -8.187 1.00 0.00 O ATOM 68 CB TYR A 6 2.227 6.020 -6.526 1.00 0.00 C ATOM 69 CG TYR A 6 2.205 7.411 -7.116 1.00 0.00 C ATOM 70 CD1 TYR A 6 2.385 7.626 -8.476 1.00 0.00 C ATOM 71 CD2 TYR A 6 1.962 8.512 -6.304 1.00 0.00 C ATOM 72 CE1 TYR A 6 2.329 8.901 -9.006 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.909 9.786 -6.822 1.00 0.00 C ATOM 74 CZ TYR A 6 2.090 9.980 -8.171 1.00 0.00 C ATOM 75 OH TYR A 6 2.024 11.261 -8.689 1.00 0.00 O ATOM 0 HA TYR A 6 3.424 4.587 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.746 5.343 -7.232 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.618 6.024 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.571 6.786 -9.128 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.812 8.365 -5.245 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.471 9.055 -10.065 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.726 10.629 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 6 1.848 11.898 -7.965 1.00 0.00 H new ATOM 85 N LEU A 7 5.631 5.077 -7.431 1.00 0.00 N ATOM 86 CA LEU A 7 6.438 4.475 -8.461 1.00 0.00 C ATOM 87 C LEU A 7 7.789 4.172 -7.891 1.00 0.00 C ATOM 88 O LEU A 7 8.313 4.990 -7.134 1.00 0.00 O ATOM 89 CB LEU A 7 6.530 5.377 -9.737 1.00 0.00 C ATOM 90 CG LEU A 7 7.268 6.746 -9.645 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.792 6.595 -9.696 1.00 0.00 C ATOM 92 CD2 LEU A 7 6.803 7.668 -10.742 1.00 0.00 C ATOM 0 H LEU A 7 6.143 5.678 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 7 5.969 3.548 -8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.017 4.793 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.512 5.574 -10.074 1.00 0.00 H new ATOM 0 HG LEU A 7 7.017 7.177 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.258 7.578 -9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.125 5.978 -8.861 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.079 6.121 -10.635 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.328 8.620 -10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.014 7.216 -11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.730 7.836 -10.646 1.00 0.00 H new ATOM 104 N THR A 8 8.302 2.975 -8.168 1.00 0.00 N ATOM 105 CA THR A 8 9.656 2.590 -7.773 1.00 0.00 C ATOM 106 C THR A 8 9.950 1.111 -8.149 1.00 0.00 C ATOM 107 O THR A 8 10.830 0.465 -7.570 1.00 0.00 O ATOM 108 CB THR A 8 9.920 2.857 -6.242 1.00 0.00 C ATOM 109 OG1 THR A 8 11.242 2.485 -5.857 1.00 0.00 O ATOM 110 CG2 THR A 8 8.906 2.158 -5.369 1.00 0.00 C ATOM 0 H THR A 8 7.794 2.247 -8.670 1.00 0.00 H new ATOM 0 HA THR A 8 10.348 3.221 -8.331 1.00 0.00 H new ATOM 0 HB THR A 8 9.814 3.932 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.368 2.666 -4.902 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.122 2.367 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.907 2.519 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.956 1.083 -5.543 1.00 0.00 H new ATOM 118 N VAL A 9 9.264 0.588 -9.148 1.00 0.00 N ATOM 119 CA VAL A 9 9.527 -0.780 -9.551 1.00 0.00 C ATOM 120 C VAL A 9 10.841 -0.836 -10.349 1.00 0.00 C ATOM 121 O VAL A 9 11.086 0.001 -11.221 1.00 0.00 O ATOM 122 CB VAL A 9 8.343 -1.416 -10.350 1.00 0.00 C ATOM 123 CG1 VAL A 9 8.108 -0.724 -11.688 1.00 0.00 C ATOM 124 CG2 VAL A 9 8.551 -2.918 -10.531 1.00 0.00 C ATOM 0 H VAL A 9 8.542 1.072 -9.681 1.00 0.00 H new ATOM 0 HA VAL A 9 9.628 -1.381 -8.647 1.00 0.00 H new ATOM 0 HB VAL A 9 7.440 -1.266 -9.758 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.276 -1.203 -12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.873 0.327 -11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.007 -0.801 -12.300 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.714 -3.337 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.477 -3.094 -11.079 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.611 -3.397 -9.554 1.00 0.00 H new ATOM 134 N GLY A 10 11.694 -1.772 -10.007 1.00 0.00 N ATOM 135 CA GLY A 10 12.970 -1.885 -10.672 1.00 0.00 C ATOM 136 C GLY A 10 14.045 -1.115 -9.938 1.00 0.00 C ATOM 137 O GLY A 10 15.212 -1.158 -10.309 1.00 0.00 O ATOM 0 H GLY A 10 11.529 -2.463 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.255 -2.935 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.885 -1.511 -11.692 1.00 0.00 H new ATOM 141 N THR A 11 13.654 -0.425 -8.896 1.00 0.00 N ATOM 142 CA THR A 11 14.543 0.359 -8.131 1.00 0.00 C ATOM 143 C THR A 11 15.111 -0.476 -6.962 1.00 0.00 C ATOM 144 O THR A 11 14.480 -1.437 -6.495 1.00 0.00 O ATOM 145 CB THR A 11 13.767 1.569 -7.614 1.00 0.00 C ATOM 146 OG1 THR A 11 13.026 2.138 -8.707 1.00 0.00 O ATOM 147 CG2 THR A 11 14.692 2.618 -7.077 1.00 0.00 C ATOM 0 H THR A 11 12.690 -0.403 -8.564 1.00 0.00 H new ATOM 0 HA THR A 11 15.386 0.692 -8.736 1.00 0.00 H new ATOM 0 HB THR A 11 13.106 1.240 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.521 2.916 -8.390 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.110 3.466 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.275 2.203 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.365 2.949 -7.868 1.00 0.00 H new ATOM 155 N ASP A 12 16.279 -0.110 -6.522 1.00 0.00 N ATOM 156 CA ASP A 12 16.988 -0.784 -5.455 1.00 0.00 C ATOM 157 C ASP A 12 16.861 0.053 -4.203 1.00 0.00 C ATOM 158 O ASP A 12 17.395 1.175 -4.122 1.00 0.00 O ATOM 159 CB ASP A 12 18.453 -0.936 -5.858 1.00 0.00 C ATOM 160 CG ASP A 12 19.323 -1.672 -4.861 1.00 0.00 C ATOM 161 OD1 ASP A 12 19.454 -2.905 -4.982 1.00 0.00 O ATOM 162 OD2 ASP A 12 19.974 -1.007 -4.020 1.00 0.00 O ATOM 0 H ASP A 12 16.786 0.689 -6.902 1.00 0.00 H new ATOM 0 HA ASP A 12 16.573 -1.775 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 12 18.498 -1.461 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.874 0.057 -6.020 1.00 0.00 H new ATOM 167 N VAL A 13 16.141 -0.447 -3.252 1.00 0.00 N ATOM 168 CA VAL A 13 15.868 0.287 -2.046 1.00 0.00 C ATOM 169 C VAL A 13 16.411 -0.447 -0.861 1.00 0.00 C ATOM 170 O VAL A 13 16.892 -1.566 -0.982 1.00 0.00 O ATOM 171 CB VAL A 13 14.350 0.535 -1.833 1.00 0.00 C ATOM 172 CG1 VAL A 13 13.789 1.382 -2.948 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.582 -0.782 -1.711 1.00 0.00 C ATOM 0 H VAL A 13 15.722 -1.377 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 13 16.357 1.256 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 13 14.228 1.076 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.724 1.545 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.304 2.342 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.933 0.872 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.523 -0.573 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.713 -1.365 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.963 -1.348 -0.861 1.00 0.00 H new ATOM 183 N SER A 14 16.352 0.168 0.267 1.00 0.00 N ATOM 184 CA SER A 14 16.759 -0.486 1.456 1.00 0.00 C ATOM 185 C SER A 14 15.528 -1.079 2.117 1.00 0.00 C ATOM 186 O SER A 14 14.482 -0.431 2.170 1.00 0.00 O ATOM 187 CB SER A 14 17.454 0.487 2.370 1.00 0.00 C ATOM 188 OG SER A 14 18.471 1.179 1.670 1.00 0.00 O ATOM 0 H SER A 14 16.025 1.126 0.390 1.00 0.00 H new ATOM 0 HA SER A 14 17.467 -1.284 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 14 16.732 1.198 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.885 -0.045 3.219 1.00 0.00 H new ATOM 0 HG SER A 14 18.914 1.810 2.275 1.00 0.00 H new ATOM 194 N ALA A 15 15.638 -2.294 2.559 1.00 0.00 N ATOM 195 CA ALA A 15 14.554 -2.995 3.173 1.00 0.00 C ATOM 196 C ALA A 15 15.037 -3.576 4.467 1.00 0.00 C ATOM 197 O ALA A 15 16.076 -4.250 4.512 1.00 0.00 O ATOM 198 CB ALA A 15 14.076 -4.105 2.249 1.00 0.00 C ATOM 0 H ALA A 15 16.500 -2.836 2.502 1.00 0.00 H new ATOM 0 HA ALA A 15 13.723 -2.315 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.250 -4.639 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.740 -3.674 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.895 -4.799 2.060 1.00 0.00 H new ATOM 204 N LYS A 16 14.346 -3.302 5.522 1.00 0.00 N ATOM 205 CA LYS A 16 14.737 -3.851 6.778 1.00 0.00 C ATOM 206 C LYS A 16 14.086 -5.189 6.971 1.00 0.00 C ATOM 207 O LYS A 16 12.862 -5.313 6.975 1.00 0.00 O ATOM 208 CB LYS A 16 14.477 -2.897 7.959 1.00 0.00 C ATOM 209 CG LYS A 16 13.032 -2.489 8.128 1.00 0.00 C ATOM 210 CD LYS A 16 12.821 -1.516 9.286 1.00 0.00 C ATOM 211 CE LYS A 16 13.214 -2.113 10.635 1.00 0.00 C ATOM 212 NZ LYS A 16 12.984 -1.162 11.739 1.00 0.00 N ATOM 0 H LYS A 16 13.517 -2.708 5.542 1.00 0.00 H new ATOM 0 HA LYS A 16 15.818 -3.990 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.816 -3.376 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.081 -2.000 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.679 -2.029 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.425 -3.379 8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.406 -0.614 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.774 -1.216 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.640 -3.022 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.266 -2.399 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.262 -1.602 12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.551 -0.305 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.976 -0.908 11.774 1.00 0.00 H new ATOM 226 N TYR A 17 14.896 -6.182 7.065 1.00 0.00 N ATOM 227 CA TYR A 17 14.436 -7.496 7.294 1.00 0.00 C ATOM 228 C TYR A 17 15.283 -8.086 8.371 1.00 0.00 C ATOM 229 O TYR A 17 16.485 -7.810 8.421 1.00 0.00 O ATOM 230 CB TYR A 17 14.423 -8.330 6.000 1.00 0.00 C ATOM 231 CG TYR A 17 15.752 -8.654 5.349 1.00 0.00 C ATOM 232 CD1 TYR A 17 16.465 -9.801 5.682 1.00 0.00 C ATOM 233 CD2 TYR A 17 16.251 -7.846 4.352 1.00 0.00 C ATOM 234 CE1 TYR A 17 17.649 -10.109 5.042 1.00 0.00 C ATOM 235 CE2 TYR A 17 17.417 -8.153 3.703 1.00 0.00 C ATOM 236 CZ TYR A 17 18.116 -9.278 4.047 1.00 0.00 C ATOM 237 OH TYR A 17 19.286 -9.577 3.381 1.00 0.00 O ATOM 0 H TYR A 17 15.909 -6.099 6.983 1.00 0.00 H new ATOM 0 HA TYR A 17 13.397 -7.489 7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.918 -9.272 6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.813 -7.801 5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.088 -10.459 6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.712 -6.952 4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 17 18.204 -10.993 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 17 17.785 -7.507 2.920 1.00 0.00 H new ATOM 0 HH TYR A 17 19.229 -10.483 3.011 1.00 0.00 H new ATOM 247 N ARG A 18 14.647 -8.800 9.296 1.00 0.00 N ATOM 248 CA ARG A 18 15.314 -9.386 10.465 1.00 0.00 C ATOM 249 C ARG A 18 15.864 -8.229 11.359 1.00 0.00 C ATOM 250 O ARG A 18 16.799 -8.392 12.148 1.00 0.00 O ATOM 251 CB ARG A 18 16.452 -10.331 10.000 1.00 0.00 C ATOM 252 CG ARG A 18 17.097 -11.127 11.104 1.00 0.00 C ATOM 253 CD ARG A 18 18.306 -11.879 10.616 1.00 0.00 C ATOM 254 NE ARG A 18 18.913 -12.627 11.704 1.00 0.00 N ATOM 255 CZ ARG A 18 20.120 -13.185 11.692 1.00 0.00 C ATOM 256 NH1 ARG A 18 20.947 -13.012 10.653 1.00 0.00 N ATOM 257 NH2 ARG A 18 20.506 -13.896 12.731 1.00 0.00 N ATOM 0 H ARG A 18 13.646 -8.992 9.259 1.00 0.00 H new ATOM 0 HA ARG A 18 14.609 -9.978 11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.052 -11.022 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 18 17.219 -9.737 9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.387 -10.457 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.373 -11.830 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.019 -12.560 9.814 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.031 -11.181 10.197 1.00 0.00 H new ATOM 0 HE ARG A 18 18.362 -12.734 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.654 -12.446 9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.870 -13.446 10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.882 -14.012 13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.429 -14.330 12.737 1.00 0.00 H new ATOM 271 N GLY A 19 15.223 -7.071 11.247 1.00 0.00 N ATOM 272 CA GLY A 19 15.641 -5.900 11.985 1.00 0.00 C ATOM 273 C GLY A 19 16.936 -5.305 11.451 1.00 0.00 C ATOM 274 O GLY A 19 17.593 -4.519 12.133 1.00 0.00 O ATOM 0 H GLY A 19 14.410 -6.925 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.854 -5.147 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.772 -6.164 13.034 1.00 0.00 H new ATOM 278 N ALA A 20 17.292 -5.660 10.238 1.00 0.00 N ATOM 279 CA ALA A 20 18.518 -5.193 9.627 1.00 0.00 C ATOM 280 C ALA A 20 18.200 -4.625 8.274 1.00 0.00 C ATOM 281 O ALA A 20 17.502 -5.253 7.482 1.00 0.00 O ATOM 282 CB ALA A 20 19.526 -6.330 9.508 1.00 0.00 C ATOM 0 H ALA A 20 16.741 -6.281 9.646 1.00 0.00 H new ATOM 0 HA ALA A 20 18.964 -4.419 10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.441 -5.958 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.753 -6.720 10.500 1.00 0.00 H new ATOM 0 HB3 ALA A 20 19.106 -7.126 8.892 1.00 0.00 H new ATOM 288 N PHE A 21 18.685 -3.452 8.001 1.00 0.00 N ATOM 289 CA PHE A 21 18.377 -2.797 6.753 1.00 0.00 C ATOM 290 C PHE A 21 19.357 -3.250 5.709 1.00 0.00 C ATOM 291 O PHE A 21 20.543 -2.925 5.789 1.00 0.00 O ATOM 292 CB PHE A 21 18.475 -1.273 6.897 1.00 0.00 C ATOM 293 CG PHE A 21 17.671 -0.676 8.017 1.00 0.00 C ATOM 294 CD1 PHE A 21 18.126 -0.730 9.331 1.00 0.00 C ATOM 295 CD2 PHE A 21 16.478 -0.039 7.757 1.00 0.00 C ATOM 296 CE1 PHE A 21 17.401 -0.167 10.352 1.00 0.00 C ATOM 297 CE2 PHE A 21 15.751 0.531 8.779 1.00 0.00 C ATOM 298 CZ PHE A 21 16.212 0.466 10.077 1.00 0.00 C ATOM 0 H PHE A 21 19.297 -2.923 8.622 1.00 0.00 H new ATOM 0 HA PHE A 21 17.359 -3.057 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 21 19.522 -1.006 7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 21 18.156 -0.816 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.062 -1.222 9.551 1.00 0.00 H new ATOM 0 HD2 PHE A 21 16.109 0.014 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.764 -0.221 11.368 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.818 1.030 8.563 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.640 0.912 10.877 1.00 0.00 H new ATOM 308 N CYS A 22 18.900 -4.008 4.764 1.00 0.00 N ATOM 309 CA CYS A 22 19.757 -4.444 3.703 1.00 0.00 C ATOM 310 C CYS A 22 19.081 -4.071 2.416 1.00 0.00 C ATOM 311 O CYS A 22 17.874 -3.894 2.407 1.00 0.00 O ATOM 312 CB CYS A 22 19.985 -5.944 3.815 1.00 0.00 C ATOM 313 SG CYS A 22 20.725 -6.468 5.385 1.00 0.00 S ATOM 0 H CYS A 22 17.937 -4.339 4.703 1.00 0.00 H new ATOM 0 HA CYS A 22 20.738 -3.972 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 22 19.031 -6.456 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.631 -6.264 2.997 1.00 0.00 H new ATOM 0 HG CYS A 22 20.877 -7.759 5.384 1.00 0.00 H new ATOM 319 N GLU A 23 19.806 -3.903 1.355 1.00 0.00 N ATOM 320 CA GLU A 23 19.155 -3.477 0.147 1.00 0.00 C ATOM 321 C GLU A 23 18.454 -4.621 -0.544 1.00 0.00 C ATOM 322 O GLU A 23 18.850 -5.802 -0.430 1.00 0.00 O ATOM 323 CB GLU A 23 20.056 -2.690 -0.818 1.00 0.00 C ATOM 324 CG GLU A 23 21.149 -3.478 -1.502 1.00 0.00 C ATOM 325 CD GLU A 23 22.168 -4.030 -0.553 1.00 0.00 C ATOM 326 OE1 GLU A 23 22.915 -3.237 0.068 1.00 0.00 O ATOM 327 OE2 GLU A 23 22.221 -5.247 -0.371 1.00 0.00 O ATOM 0 H GLU A 23 20.814 -4.047 1.294 1.00 0.00 H new ATOM 0 HA GLU A 23 18.398 -2.762 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 23 19.426 -2.241 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.518 -1.872 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 20.700 -4.300 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.649 -2.837 -2.228 1.00 0.00 H new ATOM 334 N ALA A 24 17.412 -4.276 -1.202 1.00 0.00 N ATOM 335 CA ALA A 24 16.600 -5.197 -1.928 1.00 0.00 C ATOM 336 C ALA A 24 16.093 -4.514 -3.159 1.00 0.00 C ATOM 337 O ALA A 24 15.875 -3.294 -3.153 1.00 0.00 O ATOM 338 CB ALA A 24 15.441 -5.657 -1.081 1.00 0.00 C ATOM 0 H ALA A 24 17.083 -3.312 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 24 17.191 -6.072 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.831 -6.359 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.818 -6.148 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.834 -4.797 -0.797 1.00 0.00 H new ATOM 344 N LYS A 25 15.885 -5.251 -4.193 1.00 0.00 N ATOM 345 CA LYS A 25 15.448 -4.640 -5.412 1.00 0.00 C ATOM 346 C LYS A 25 13.975 -4.897 -5.619 1.00 0.00 C ATOM 347 O LYS A 25 13.516 -6.033 -5.531 1.00 0.00 O ATOM 348 CB LYS A 25 16.283 -5.110 -6.606 1.00 0.00 C ATOM 349 CG LYS A 25 16.014 -4.327 -7.881 1.00 0.00 C ATOM 350 CD LYS A 25 16.923 -4.767 -9.010 1.00 0.00 C ATOM 351 CE LYS A 25 16.685 -3.931 -10.253 1.00 0.00 C ATOM 352 NZ LYS A 25 17.521 -4.366 -11.384 1.00 0.00 N ATOM 0 H LYS A 25 16.006 -6.263 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 25 15.597 -3.563 -5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 25 17.340 -5.027 -6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.080 -6.165 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.974 -4.461 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.157 -3.263 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.964 -4.677 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.747 -5.819 -9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.634 -3.993 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.894 -2.885 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.325 -3.767 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.525 -4.282 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.304 -5.357 -11.615 1.00 0.00 H new ATOM 366 N ILE A 26 13.242 -3.842 -5.833 1.00 0.00 N ATOM 367 CA ILE A 26 11.820 -3.901 -6.053 1.00 0.00 C ATOM 368 C ILE A 26 11.531 -4.544 -7.391 1.00 0.00 C ATOM 369 O ILE A 26 11.993 -4.082 -8.438 1.00 0.00 O ATOM 370 CB ILE A 26 11.192 -2.497 -5.998 1.00 0.00 C ATOM 371 CG1 ILE A 26 11.588 -1.812 -4.688 1.00 0.00 C ATOM 372 CG2 ILE A 26 9.676 -2.598 -6.110 1.00 0.00 C ATOM 373 CD1 ILE A 26 11.054 -0.431 -4.522 1.00 0.00 C ATOM 0 H ILE A 26 13.622 -2.896 -5.861 1.00 0.00 H new ATOM 0 HA ILE A 26 11.377 -4.503 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 26 11.560 -1.902 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.242 -2.424 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.676 -1.776 -4.627 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.241 -1.599 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.412 -3.071 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.289 -3.196 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.385 -0.025 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.421 0.201 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.965 -0.457 -4.547 1.00 0.00 H new ATOM 385 N LYS A 27 10.795 -5.598 -7.352 1.00 0.00 N ATOM 386 CA LYS A 27 10.487 -6.344 -8.526 1.00 0.00 C ATOM 387 C LYS A 27 9.006 -6.225 -8.890 1.00 0.00 C ATOM 388 O LYS A 27 8.656 -6.134 -10.061 1.00 0.00 O ATOM 389 CB LYS A 27 10.946 -7.785 -8.319 1.00 0.00 C ATOM 390 CG LYS A 27 10.590 -8.745 -9.420 1.00 0.00 C ATOM 391 CD LYS A 27 11.317 -10.065 -9.233 1.00 0.00 C ATOM 392 CE LYS A 27 10.746 -11.152 -10.122 1.00 0.00 C ATOM 393 NZ LYS A 27 9.330 -11.436 -9.775 1.00 0.00 N ATOM 0 H LYS A 27 10.384 -5.973 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 27 11.023 -5.937 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.029 -7.788 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.517 -8.154 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.513 -8.914 -9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.852 -8.313 -10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.376 -9.932 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.247 -10.374 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.814 -10.846 -11.166 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.339 -12.061 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.169 -12.463 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.124 -11.065 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.704 -10.979 -10.469 1.00 0.00 H new ATOM 407 N THR A 28 8.152 -6.200 -7.912 1.00 0.00 N ATOM 408 CA THR A 28 6.734 -6.039 -8.172 1.00 0.00 C ATOM 409 C THR A 28 6.194 -4.908 -7.295 1.00 0.00 C ATOM 410 O THR A 28 6.687 -4.703 -6.175 1.00 0.00 O ATOM 411 CB THR A 28 5.966 -7.344 -7.867 1.00 0.00 C ATOM 412 OG1 THR A 28 6.665 -8.472 -8.451 1.00 0.00 O ATOM 413 CG2 THR A 28 4.551 -7.299 -8.441 1.00 0.00 C ATOM 0 H THR A 28 8.400 -6.288 -6.927 1.00 0.00 H new ATOM 0 HA THR A 28 6.593 -5.799 -9.226 1.00 0.00 H new ATOM 0 HB THR A 28 5.907 -7.451 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.176 -9.298 -8.254 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.035 -8.231 -8.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.006 -6.464 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.601 -7.170 -9.522 1.00 0.00 H new ATOM 421 N VAL A 29 5.242 -4.162 -7.817 1.00 0.00 N ATOM 422 CA VAL A 29 4.592 -3.081 -7.110 1.00 0.00 C ATOM 423 C VAL A 29 3.094 -3.166 -7.348 1.00 0.00 C ATOM 424 O VAL A 29 2.644 -3.377 -8.472 1.00 0.00 O ATOM 425 CB VAL A 29 5.110 -1.672 -7.562 1.00 0.00 C ATOM 426 CG1 VAL A 29 4.305 -0.548 -6.922 1.00 0.00 C ATOM 427 CG2 VAL A 29 6.564 -1.503 -7.206 1.00 0.00 C ATOM 0 H VAL A 29 4.892 -4.295 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 29 4.826 -3.189 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 29 4.988 -1.616 -8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.692 0.414 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.258 -0.639 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.388 -0.613 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.905 -0.519 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.687 -1.595 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.153 -2.272 -7.705 1.00 0.00 H new ATOM 437 N LYS A 30 2.345 -3.051 -6.298 1.00 0.00 N ATOM 438 CA LYS A 30 0.904 -3.025 -6.369 1.00 0.00 C ATOM 439 C LYS A 30 0.411 -1.753 -5.734 1.00 0.00 C ATOM 440 O LYS A 30 0.559 -1.566 -4.520 1.00 0.00 O ATOM 441 CB LYS A 30 0.281 -4.256 -5.676 1.00 0.00 C ATOM 442 CG LYS A 30 -1.246 -4.181 -5.511 1.00 0.00 C ATOM 443 CD LYS A 30 -1.829 -5.430 -4.852 1.00 0.00 C ATOM 444 CE LYS A 30 -1.801 -6.640 -5.772 1.00 0.00 C ATOM 445 NZ LYS A 30 -2.652 -6.441 -6.967 1.00 0.00 N ATOM 0 H LYS A 30 2.714 -2.971 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 30 0.600 -3.059 -7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.530 -5.148 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.736 -4.374 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.500 -3.307 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.707 -4.042 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.268 -5.654 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.857 -5.231 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.775 -6.835 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.141 -7.520 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.841 -7.360 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.551 -6.002 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.162 -5.821 -7.643 1.00 0.00 H new ATOM 459 N ARG A 31 -0.121 -0.866 -6.532 1.00 0.00 N ATOM 460 CA ARG A 31 -0.658 0.362 -6.018 1.00 0.00 C ATOM 461 C ARG A 31 -2.085 0.161 -5.604 1.00 0.00 C ATOM 462 O ARG A 31 -2.975 -0.012 -6.443 1.00 0.00 O ATOM 463 CB ARG A 31 -0.539 1.507 -7.018 1.00 0.00 C ATOM 464 CG ARG A 31 0.878 1.972 -7.245 1.00 0.00 C ATOM 465 CD ARG A 31 0.929 3.177 -8.165 1.00 0.00 C ATOM 466 NE ARG A 31 0.481 2.885 -9.520 1.00 0.00 N ATOM 467 CZ ARG A 31 1.256 2.972 -10.615 1.00 0.00 C ATOM 468 NH1 ARG A 31 2.555 3.288 -10.510 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.731 2.748 -11.804 1.00 0.00 N ATOM 0 H ARG A 31 -0.193 -0.973 -7.544 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.068 0.644 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.965 1.191 -7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.136 2.348 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.337 2.224 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.464 1.160 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.309 3.971 -7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.951 3.555 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.488 2.594 -9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.964 3.465 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.134 3.351 -11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.257 2.510 -11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.313 2.812 -12.639 1.00 0.00 H new ATOM 483 N LEU A 32 -2.299 0.131 -4.336 1.00 0.00 N ATOM 484 CA LEU A 32 -3.621 -0.035 -3.808 1.00 0.00 C ATOM 485 C LEU A 32 -3.881 1.106 -2.891 1.00 0.00 C ATOM 486 O LEU A 32 -3.004 1.513 -2.157 1.00 0.00 O ATOM 487 CB LEU A 32 -3.818 -1.396 -3.080 1.00 0.00 C ATOM 488 CG LEU A 32 -3.132 -1.637 -1.712 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.521 -2.992 -1.177 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.624 -1.541 -1.796 1.00 0.00 C ATOM 0 H LEU A 32 -1.568 0.220 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.335 -0.045 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.889 -1.538 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.480 -2.180 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.474 -0.852 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.036 -3.156 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.603 -3.036 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.206 -3.764 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.193 -1.718 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.250 -2.289 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.341 -0.547 -2.143 1.00 0.00 H new ATOM 502 N VAL A 33 -5.021 1.656 -2.947 1.00 0.00 N ATOM 503 CA VAL A 33 -5.287 2.779 -2.111 1.00 0.00 C ATOM 504 C VAL A 33 -5.908 2.294 -0.827 1.00 0.00 C ATOM 505 O VAL A 33 -6.837 1.499 -0.858 1.00 0.00 O ATOM 506 CB VAL A 33 -6.206 3.813 -2.796 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.376 5.023 -1.915 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.638 4.228 -4.142 1.00 0.00 C ATOM 0 H VAL A 33 -5.789 1.363 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.343 3.285 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.180 3.351 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.026 5.745 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.822 4.723 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.403 5.478 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.301 4.957 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.653 4.672 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.552 3.353 -4.786 1.00 0.00 H new ATOM 518 N LYS A 34 -5.371 2.719 0.291 1.00 0.00 N ATOM 519 CA LYS A 34 -5.922 2.334 1.557 1.00 0.00 C ATOM 520 C LYS A 34 -6.935 3.360 1.943 1.00 0.00 C ATOM 521 O LYS A 34 -6.626 4.447 2.406 1.00 0.00 O ATOM 522 CB LYS A 34 -4.840 2.201 2.585 1.00 0.00 C ATOM 523 CG LYS A 34 -5.286 1.723 3.952 1.00 0.00 C ATOM 524 CD LYS A 34 -4.088 1.581 4.874 1.00 0.00 C ATOM 525 CE LYS A 34 -4.490 1.047 6.229 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.328 0.856 7.118 1.00 0.00 N ATOM 0 H LYS A 34 -4.556 3.330 0.345 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.403 1.358 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.088 1.509 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.353 3.169 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.000 2.429 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.800 0.766 3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.357 0.912 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.603 2.550 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.193 1.737 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.010 0.097 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.650 0.489 8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.668 0.178 6.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.846 1.766 7.259 1.00 0.00 H new ATOM 540 N VAL A 35 -8.111 3.007 1.735 1.00 0.00 N ATOM 541 CA VAL A 35 -9.217 3.886 1.849 1.00 0.00 C ATOM 542 C VAL A 35 -9.820 3.801 3.233 1.00 0.00 C ATOM 543 O VAL A 35 -10.056 2.704 3.761 1.00 0.00 O ATOM 544 CB VAL A 35 -10.303 3.551 0.796 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.354 4.640 0.740 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.691 3.334 -0.577 1.00 0.00 C ATOM 0 H VAL A 35 -8.369 2.057 1.466 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.855 4.899 1.673 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.784 2.622 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.105 4.382 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.830 4.737 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.884 5.586 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.478 3.101 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.171 4.239 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.983 2.506 -0.533 1.00 0.00 H new ATOM 556 N LYS A 36 -10.026 4.948 3.819 1.00 0.00 N ATOM 557 CA LYS A 36 -10.675 5.066 5.077 1.00 0.00 C ATOM 558 C LYS A 36 -12.096 5.418 4.792 1.00 0.00 C ATOM 559 O LYS A 36 -12.386 6.532 4.350 1.00 0.00 O ATOM 560 CB LYS A 36 -10.046 6.179 5.914 1.00 0.00 C ATOM 561 CG LYS A 36 -10.580 6.275 7.336 1.00 0.00 C ATOM 562 CD LYS A 36 -9.877 7.372 8.122 1.00 0.00 C ATOM 563 CE LYS A 36 -10.407 7.457 9.545 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.696 8.471 10.346 1.00 0.00 N ATOM 0 H LYS A 36 -9.738 5.841 3.419 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.586 4.135 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.968 6.022 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.211 7.132 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.652 6.473 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.445 5.319 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.805 7.178 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.019 8.330 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.470 7.696 9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.310 6.484 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.091 8.493 11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.685 8.231 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.810 9.405 9.903 1.00 0.00 H new ATOM 578 N VAL A 37 -12.954 4.494 4.964 1.00 0.00 N ATOM 579 CA VAL A 37 -14.345 4.723 4.733 1.00 0.00 C ATOM 580 C VAL A 37 -15.119 4.663 6.003 1.00 0.00 C ATOM 581 O VAL A 37 -14.833 3.863 6.889 1.00 0.00 O ATOM 582 CB VAL A 37 -14.960 3.760 3.689 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.667 4.241 2.287 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.415 2.354 3.878 1.00 0.00 C ATOM 0 H VAL A 37 -12.724 3.549 5.270 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.414 5.728 4.317 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.040 3.743 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.107 3.552 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -15.094 5.234 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.588 4.285 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.858 1.689 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.332 2.364 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.664 1.999 4.878 1.00 0.00 H new ATOM 594 N LEU A 38 -16.083 5.497 6.075 1.00 0.00 N ATOM 595 CA LEU A 38 -16.955 5.590 7.202 1.00 0.00 C ATOM 596 C LEU A 38 -18.305 5.108 6.783 1.00 0.00 C ATOM 597 O LEU A 38 -18.884 5.633 5.826 1.00 0.00 O ATOM 598 CB LEU A 38 -17.035 7.045 7.692 1.00 0.00 C ATOM 599 CG LEU A 38 -18.094 7.361 8.771 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.861 6.546 10.037 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.115 8.853 9.092 1.00 0.00 C ATOM 0 H LEU A 38 -16.303 6.160 5.332 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.578 4.980 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.057 7.325 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.228 7.683 6.830 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.067 7.080 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.624 6.794 10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.916 5.483 9.801 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.876 6.777 10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.869 9.051 9.854 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.136 9.160 9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.355 9.416 8.190 1.00 0.00 H new ATOM 613 N LEU A 39 -18.794 4.089 7.441 1.00 0.00 N ATOM 614 CA LEU A 39 -20.093 3.582 7.118 1.00 0.00 C ATOM 615 C LEU A 39 -21.135 4.542 7.615 1.00 0.00 C ATOM 616 O LEU A 39 -21.254 4.746 8.801 1.00 0.00 O ATOM 617 CB LEU A 39 -20.374 2.192 7.726 1.00 0.00 C ATOM 618 CG LEU A 39 -19.469 1.031 7.327 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.965 -0.267 7.942 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.381 0.901 5.830 1.00 0.00 C ATOM 0 H LEU A 39 -18.314 3.601 8.197 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.129 3.476 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.331 2.289 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.398 1.918 7.471 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.469 1.239 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.307 -1.084 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.967 -0.177 9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.977 -0.472 7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.729 0.065 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -20.376 0.723 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.974 1.820 5.408 1.00 0.00 H new ATOM 632 N LYS A 40 -21.891 5.108 6.726 1.00 0.00 N ATOM 633 CA LYS A 40 -22.972 6.025 7.122 1.00 0.00 C ATOM 634 C LYS A 40 -24.075 5.256 7.833 1.00 0.00 C ATOM 635 O LYS A 40 -24.780 5.784 8.683 1.00 0.00 O ATOM 636 CB LYS A 40 -23.527 6.755 5.903 1.00 0.00 C ATOM 637 CG LYS A 40 -23.948 5.833 4.774 1.00 0.00 C ATOM 638 CD LYS A 40 -24.358 6.587 3.529 1.00 0.00 C ATOM 639 CE LYS A 40 -25.618 7.408 3.718 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.038 8.020 2.444 1.00 0.00 N ATOM 0 H LYS A 40 -21.799 4.967 5.720 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.567 6.768 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.385 7.353 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.772 7.447 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.124 5.161 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.779 5.212 5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -23.544 7.246 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.513 5.877 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -26.417 6.774 4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.443 8.186 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -26.939 8.522 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.312 8.693 2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.160 7.278 1.726 1.00 0.00 H new ATOM 654 N GLN A 41 -24.163 3.992 7.492 1.00 0.00 N ATOM 655 CA GLN A 41 -25.131 3.089 8.032 1.00 0.00 C ATOM 656 C GLN A 41 -24.841 2.743 9.502 1.00 0.00 C ATOM 657 O GLN A 41 -25.762 2.603 10.311 1.00 0.00 O ATOM 658 CB GLN A 41 -25.105 1.812 7.197 1.00 0.00 C ATOM 659 CG GLN A 41 -25.999 0.722 7.720 1.00 0.00 C ATOM 660 CD GLN A 41 -25.849 -0.567 6.960 1.00 0.00 C ATOM 661 OE1 GLN A 41 -25.034 -1.410 7.307 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.609 -0.725 5.922 1.00 0.00 N ATOM 0 H GLN A 41 -23.541 3.558 6.810 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.110 3.566 7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.401 2.052 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.082 1.439 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -25.774 0.547 8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.037 1.052 7.666 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -27.277 0.001 5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -26.539 -1.575 5.363 1.00 0.00 H new ATOM 671 N ASP A 42 -23.578 2.625 9.846 1.00 0.00 N ATOM 672 CA ASP A 42 -23.239 2.113 11.174 1.00 0.00 C ATOM 673 C ASP A 42 -22.269 3.002 11.958 1.00 0.00 C ATOM 674 O ASP A 42 -22.188 2.905 13.171 1.00 0.00 O ATOM 675 CB ASP A 42 -22.687 0.694 11.045 1.00 0.00 C ATOM 676 CG ASP A 42 -22.460 0.038 12.376 1.00 0.00 C ATOM 677 OD1 ASP A 42 -23.454 -0.304 13.056 1.00 0.00 O ATOM 678 OD2 ASP A 42 -21.297 -0.133 12.776 1.00 0.00 O ATOM 0 H ASP A 42 -22.784 2.865 9.253 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.161 2.111 11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.381 0.090 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.747 0.723 10.494 1.00 0.00 H new ATOM 683 N ASN A 43 -21.552 3.866 11.255 1.00 0.00 N ATOM 684 CA ASN A 43 -20.550 4.785 11.837 1.00 0.00 C ATOM 685 C ASN A 43 -19.237 4.101 12.148 1.00 0.00 C ATOM 686 O ASN A 43 -18.377 4.664 12.816 1.00 0.00 O ATOM 687 CB ASN A 43 -21.060 5.627 13.036 1.00 0.00 C ATOM 688 CG ASN A 43 -21.994 6.772 12.648 1.00 0.00 C ATOM 689 OD1 ASN A 43 -22.768 6.615 11.598 1.00 0.00 O flip ATOM 690 ND2 ASN A 43 -22.022 7.802 13.313 1.00 0.00 N flip ATOM 0 H ASN A 43 -21.642 3.960 10.243 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.362 5.506 11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.581 4.969 13.732 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -20.202 6.038 13.568 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.412 7.902 14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.655 8.559 13.055 1.00 0.00 H new ATOM 697 N THR A 44 -19.050 2.926 11.599 1.00 0.00 N ATOM 698 CA THR A 44 -17.816 2.236 11.748 1.00 0.00 C ATOM 699 C THR A 44 -16.879 2.676 10.652 1.00 0.00 C ATOM 700 O THR A 44 -17.318 2.941 9.515 1.00 0.00 O ATOM 701 CB THR A 44 -18.042 0.734 11.722 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.282 0.457 11.029 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.105 0.199 13.127 1.00 0.00 C ATOM 0 H THR A 44 -19.749 2.434 11.043 1.00 0.00 H new ATOM 0 HA THR A 44 -17.367 2.476 12.712 1.00 0.00 H new ATOM 0 HB THR A 44 -17.216 0.248 11.202 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.015 0.406 11.678 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.267 -0.878 13.099 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.167 0.412 13.640 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.927 0.676 13.661 1.00 0.00 H new ATOM 711 N THR A 45 -15.630 2.809 10.970 1.00 0.00 N ATOM 712 CA THR A 45 -14.694 3.298 10.014 1.00 0.00 C ATOM 713 C THR A 45 -13.690 2.211 9.690 1.00 0.00 C ATOM 714 O THR A 45 -13.094 1.593 10.579 1.00 0.00 O ATOM 715 CB THR A 45 -13.964 4.510 10.547 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.886 5.330 11.302 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.410 5.338 9.407 1.00 0.00 C ATOM 0 H THR A 45 -15.237 2.585 11.884 1.00 0.00 H new ATOM 0 HA THR A 45 -15.237 3.586 9.114 1.00 0.00 H new ATOM 0 HB THR A 45 -13.145 4.171 11.181 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.415 6.116 11.650 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.888 6.206 9.808 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.715 4.734 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.228 5.670 8.768 1.00 0.00 H new ATOM 725 N GLN A 46 -13.474 2.033 8.449 1.00 0.00 N ATOM 726 CA GLN A 46 -12.644 0.980 7.948 1.00 0.00 C ATOM 727 C GLN A 46 -11.499 1.538 7.161 1.00 0.00 C ATOM 728 O GLN A 46 -11.618 2.581 6.529 1.00 0.00 O ATOM 729 CB GLN A 46 -13.427 0.015 7.025 1.00 0.00 C ATOM 730 CG GLN A 46 -14.261 -1.076 7.696 1.00 0.00 C ATOM 731 CD GLN A 46 -15.435 -0.577 8.522 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.330 -0.350 9.716 1.00 0.00 O ATOM 733 NE2 GLN A 46 -16.556 -0.405 7.890 1.00 0.00 N ATOM 0 H GLN A 46 -13.874 2.624 7.720 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.282 0.433 8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.092 0.611 6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.712 -0.469 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.639 -1.748 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.608 -1.665 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -16.614 -0.603 6.891 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.379 -0.072 8.392 1.00 0.00 H new ATOM 742 N LEU A 47 -10.402 0.852 7.233 1.00 0.00 N ATOM 743 CA LEU A 47 -9.251 1.129 6.439 1.00 0.00 C ATOM 744 C LEU A 47 -8.942 -0.126 5.666 1.00 0.00 C ATOM 745 O LEU A 47 -8.394 -1.096 6.206 1.00 0.00 O ATOM 746 CB LEU A 47 -8.062 1.538 7.311 1.00 0.00 C ATOM 747 CG LEU A 47 -7.986 3.012 7.763 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.944 3.168 8.856 1.00 0.00 C ATOM 749 CD2 LEU A 47 -7.606 3.914 6.583 1.00 0.00 C ATOM 0 H LEU A 47 -10.281 0.061 7.865 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.443 1.964 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.068 0.912 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.148 1.306 6.765 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.965 3.304 8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.898 4.211 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.215 2.546 9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.970 2.859 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.557 4.950 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.634 3.612 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.357 3.822 5.798 1.00 0.00 H new ATOM 761 N VAL A 48 -9.320 -0.117 4.429 1.00 0.00 N ATOM 762 CA VAL A 48 -9.189 -1.260 3.545 1.00 0.00 C ATOM 763 C VAL A 48 -8.614 -0.788 2.238 1.00 0.00 C ATOM 764 O VAL A 48 -8.313 0.373 2.106 1.00 0.00 O ATOM 765 CB VAL A 48 -10.569 -1.946 3.290 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.083 -2.635 4.552 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.600 -0.924 2.794 1.00 0.00 C ATOM 0 H VAL A 48 -9.740 0.698 3.982 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.534 -1.994 4.014 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.424 -2.703 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.045 -3.104 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.369 -3.396 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.202 -1.898 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.554 -1.423 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.728 -0.143 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.251 -0.478 1.862 1.00 0.00 H new ATOM 777 N GLN A 49 -8.448 -1.655 1.278 1.00 0.00 N ATOM 778 CA GLN A 49 -7.930 -1.197 0.012 1.00 0.00 C ATOM 779 C GLN A 49 -9.062 -0.919 -0.964 1.00 0.00 C ATOM 780 O GLN A 49 -10.190 -1.370 -0.756 1.00 0.00 O ATOM 781 CB GLN A 49 -6.875 -2.133 -0.609 1.00 0.00 C ATOM 782 CG GLN A 49 -7.349 -3.525 -1.028 1.00 0.00 C ATOM 783 CD GLN A 49 -7.565 -4.501 0.114 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.419 -5.361 0.032 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.780 -4.406 1.161 1.00 0.00 N ATOM 0 H GLN A 49 -8.655 -2.652 1.339 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.404 -0.266 0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.456 -1.639 -1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.063 -2.252 0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.283 -3.423 -1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.617 -3.950 -1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.071 -3.673 1.202 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.878 -5.065 1.934 1.00 0.00 H new ATOM 794 N ASP A 50 -8.744 -0.228 -2.049 1.00 0.00 N ATOM 795 CA ASP A 50 -9.721 0.192 -3.084 1.00 0.00 C ATOM 796 C ASP A 50 -10.378 -0.992 -3.811 1.00 0.00 C ATOM 797 O ASP A 50 -11.264 -0.815 -4.633 1.00 0.00 O ATOM 798 CB ASP A 50 -9.092 1.178 -4.096 1.00 0.00 C ATOM 799 CG ASP A 50 -8.050 0.568 -5.017 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.901 0.314 -4.576 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.348 0.354 -6.209 1.00 0.00 O ATOM 0 H ASP A 50 -7.790 0.069 -2.253 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.516 0.711 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.887 1.608 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.633 1.999 -3.545 1.00 0.00 H new ATOM 806 N ASP A 51 -9.936 -2.183 -3.503 1.00 0.00 N ATOM 807 CA ASP A 51 -10.511 -3.401 -4.060 1.00 0.00 C ATOM 808 C ASP A 51 -11.792 -3.739 -3.309 1.00 0.00 C ATOM 809 O ASP A 51 -12.748 -4.272 -3.875 1.00 0.00 O ATOM 810 CB ASP A 51 -9.520 -4.560 -3.935 1.00 0.00 C ATOM 811 CG ASP A 51 -10.046 -5.854 -4.521 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.993 -6.025 -5.760 1.00 0.00 O ATOM 813 OD2 ASP A 51 -10.489 -6.730 -3.764 1.00 0.00 O ATOM 0 H ASP A 51 -9.164 -2.347 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.733 -3.242 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.590 -4.292 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.281 -4.715 -2.883 1.00 0.00 H new ATOM 818 N GLN A 52 -11.818 -3.364 -2.036 1.00 0.00 N ATOM 819 CA GLN A 52 -12.962 -3.613 -1.171 1.00 0.00 C ATOM 820 C GLN A 52 -13.996 -2.529 -1.403 1.00 0.00 C ATOM 821 O GLN A 52 -15.187 -2.707 -1.142 1.00 0.00 O ATOM 822 CB GLN A 52 -12.535 -3.572 0.304 1.00 0.00 C ATOM 823 CG GLN A 52 -11.408 -4.524 0.674 1.00 0.00 C ATOM 824 CD GLN A 52 -11.758 -5.977 0.474 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.902 -6.370 0.600 1.00 0.00 O ATOM 826 NE2 GLN A 52 -10.783 -6.773 0.159 1.00 0.00 N ATOM 0 H GLN A 52 -11.047 -2.880 -1.576 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.373 -4.596 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.227 -2.556 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.402 -3.801 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.529 -4.284 0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.136 -4.364 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.836 -6.406 0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.963 -7.766 0.008 1.00 0.00 H new ATOM 835 N VAL A 53 -13.519 -1.408 -1.892 1.00 0.00 N ATOM 836 CA VAL A 53 -14.348 -0.263 -2.145 1.00 0.00 C ATOM 837 C VAL A 53 -14.903 -0.317 -3.550 1.00 0.00 C ATOM 838 O VAL A 53 -14.186 -0.595 -4.510 1.00 0.00 O ATOM 839 CB VAL A 53 -13.569 1.062 -1.918 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.434 2.277 -2.234 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.089 1.132 -0.488 1.00 0.00 C ATOM 0 H VAL A 53 -12.536 -1.269 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.177 -0.286 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.714 1.073 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.859 3.187 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.751 2.237 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.312 2.277 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.543 2.063 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.945 1.097 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.431 0.287 -0.283 1.00 0.00 H new ATOM 851 N LYS A 54 -16.175 -0.110 -3.649 1.00 0.00 N ATOM 852 CA LYS A 54 -16.867 -0.083 -4.897 1.00 0.00 C ATOM 853 C LYS A 54 -17.354 1.330 -5.135 1.00 0.00 C ATOM 854 O LYS A 54 -18.307 1.794 -4.471 1.00 0.00 O ATOM 855 CB LYS A 54 -18.061 -1.055 -4.866 1.00 0.00 C ATOM 856 CG LYS A 54 -17.686 -2.483 -4.486 1.00 0.00 C ATOM 857 CD LYS A 54 -16.657 -3.041 -5.440 1.00 0.00 C ATOM 858 CE LYS A 54 -16.194 -4.429 -5.040 1.00 0.00 C ATOM 859 NZ LYS A 54 -15.254 -5.006 -6.024 1.00 0.00 N ATOM 0 H LYS A 54 -16.779 0.049 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.199 -0.392 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.801 -0.683 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.536 -1.063 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.293 -2.502 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.576 -3.112 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.078 -3.076 -6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.798 -2.371 -5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.713 -4.383 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.059 -5.084 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.963 -5.954 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.721 -5.075 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.416 -4.395 -6.103 1.00 0.00 H new ATOM 873 N GLY A 55 -16.691 2.029 -6.013 1.00 0.00 N ATOM 874 CA GLY A 55 -17.067 3.375 -6.315 1.00 0.00 C ATOM 875 C GLY A 55 -15.853 4.275 -6.461 1.00 0.00 C ATOM 876 O GLY A 55 -14.719 3.781 -6.446 1.00 0.00 O ATOM 0 H GLY A 55 -15.884 1.684 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.647 3.393 -7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.712 3.759 -5.525 1.00 0.00 H new ATOM 880 N PRO A 56 -16.060 5.589 -6.665 1.00 0.00 N ATOM 881 CA PRO A 56 -14.968 6.588 -6.777 1.00 0.00 C ATOM 882 C PRO A 56 -14.091 6.673 -5.528 1.00 0.00 C ATOM 883 O PRO A 56 -14.573 6.579 -4.402 1.00 0.00 O ATOM 884 CB PRO A 56 -15.709 7.926 -6.928 1.00 0.00 C ATOM 885 CG PRO A 56 -17.107 7.651 -6.492 1.00 0.00 C ATOM 886 CD PRO A 56 -17.375 6.222 -6.858 1.00 0.00 C ATOM 0 HA PRO A 56 -14.302 6.326 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.251 8.701 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.680 8.278 -7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.220 7.808 -5.419 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.810 8.320 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.137 5.776 -6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.724 6.126 -7.886 1.00 0.00 H new ATOM 894 N LEU A 57 -12.823 6.901 -5.722 1.00 0.00 N ATOM 895 CA LEU A 57 -11.932 7.068 -4.608 1.00 0.00 C ATOM 896 C LEU A 57 -11.697 8.525 -4.402 1.00 0.00 C ATOM 897 O LEU A 57 -10.741 9.109 -4.909 1.00 0.00 O ATOM 898 CB LEU A 57 -10.604 6.286 -4.749 1.00 0.00 C ATOM 899 CG LEU A 57 -10.706 4.751 -4.746 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.564 4.277 -3.588 1.00 0.00 C ATOM 901 CD2 LEU A 57 -11.213 4.204 -6.077 1.00 0.00 C ATOM 0 H LEU A 57 -12.383 6.975 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.410 6.638 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.124 6.594 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.944 6.585 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.699 4.355 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.625 3.189 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.119 4.604 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.565 4.698 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.268 3.117 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.204 4.608 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.530 4.496 -6.874 1.00 0.00 H new ATOM 913 N ARG A 58 -12.623 9.119 -3.725 1.00 0.00 N ATOM 914 CA ARG A 58 -12.593 10.540 -3.466 1.00 0.00 C ATOM 915 C ARG A 58 -13.044 10.805 -2.064 1.00 0.00 C ATOM 916 O ARG A 58 -14.043 10.236 -1.622 1.00 0.00 O ATOM 917 CB ARG A 58 -13.477 11.286 -4.478 1.00 0.00 C ATOM 918 CG ARG A 58 -13.540 12.796 -4.284 1.00 0.00 C ATOM 919 CD ARG A 58 -14.461 13.440 -5.304 1.00 0.00 C ATOM 920 NE ARG A 58 -14.588 14.894 -5.112 1.00 0.00 N ATOM 921 CZ ARG A 58 -15.423 15.689 -5.814 1.00 0.00 C ATOM 922 NH1 ARG A 58 -16.169 15.186 -6.793 1.00 0.00 N ATOM 923 NH2 ARG A 58 -15.491 16.988 -5.545 1.00 0.00 N ATOM 0 H ARG A 58 -13.431 8.639 -3.329 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.572 10.905 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.109 11.078 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.489 10.884 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.892 13.022 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.540 13.219 -4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.083 13.241 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.447 12.981 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.004 15.331 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.113 14.193 -7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.798 15.793 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.911 17.387 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.123 17.587 -6.077 1.00 0.00 H new ATOM 937 N VAL A 59 -12.318 11.637 -1.351 1.00 0.00 N ATOM 938 CA VAL A 59 -12.695 11.967 0.003 1.00 0.00 C ATOM 939 C VAL A 59 -13.988 12.754 -0.025 1.00 0.00 C ATOM 940 O VAL A 59 -14.076 13.819 -0.638 1.00 0.00 O ATOM 941 CB VAL A 59 -11.612 12.759 0.763 1.00 0.00 C ATOM 942 CG1 VAL A 59 -11.990 12.897 2.219 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.283 12.076 0.650 1.00 0.00 C ATOM 0 H VAL A 59 -11.469 12.094 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.823 11.029 0.543 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.538 13.750 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.217 13.458 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.940 13.425 2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.086 11.907 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.532 12.650 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.351 11.074 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.998 12.006 -0.400 1.00 0.00 H new ATOM 953 N GLY A 60 -14.980 12.211 0.600 1.00 0.00 N ATOM 954 CA GLY A 60 -16.273 12.817 0.602 1.00 0.00 C ATOM 955 C GLY A 60 -17.212 12.150 -0.379 1.00 0.00 C ATOM 956 O GLY A 60 -18.354 12.593 -0.550 1.00 0.00 O ATOM 0 H GLY A 60 -14.919 11.337 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.697 12.763 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.179 13.874 0.353 1.00 0.00 H new ATOM 960 N ALA A 61 -16.760 11.080 -1.026 1.00 0.00 N ATOM 961 CA ALA A 61 -17.607 10.403 -1.983 1.00 0.00 C ATOM 962 C ALA A 61 -18.278 9.231 -1.332 1.00 0.00 C ATOM 963 O ALA A 61 -17.692 8.583 -0.457 1.00 0.00 O ATOM 964 CB ALA A 61 -16.830 9.969 -3.214 1.00 0.00 C ATOM 0 H ALA A 61 -15.832 10.675 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.369 11.106 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.501 9.464 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.397 10.844 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.033 9.286 -2.919 1.00 0.00 H new ATOM 970 N ILE A 62 -19.502 8.988 -1.714 1.00 0.00 N ATOM 971 CA ILE A 62 -20.267 7.898 -1.187 1.00 0.00 C ATOM 972 C ILE A 62 -20.114 6.693 -2.096 1.00 0.00 C ATOM 973 O ILE A 62 -20.372 6.759 -3.313 1.00 0.00 O ATOM 974 CB ILE A 62 -21.746 8.283 -1.062 1.00 0.00 C ATOM 975 CG1 ILE A 62 -21.858 9.615 -0.319 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.514 7.190 -0.318 1.00 0.00 C ATOM 977 CD1 ILE A 62 -23.249 10.139 -0.227 1.00 0.00 C ATOM 0 H ILE A 62 -19.999 9.548 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.897 7.653 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.180 8.389 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.459 9.493 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -21.234 10.354 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.563 7.474 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.435 6.252 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.093 7.064 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -23.246 11.086 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -23.646 10.295 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -23.874 9.421 0.303 1.00 0.00 H new ATOM 989 N VAL A 63 -19.686 5.625 -1.521 1.00 0.00 N ATOM 990 CA VAL A 63 -19.393 4.404 -2.214 1.00 0.00 C ATOM 991 C VAL A 63 -19.927 3.250 -1.413 1.00 0.00 C ATOM 992 O VAL A 63 -20.632 3.446 -0.434 1.00 0.00 O ATOM 993 CB VAL A 63 -17.856 4.215 -2.358 1.00 0.00 C ATOM 994 CG1 VAL A 63 -17.256 5.303 -3.220 1.00 0.00 C ATOM 995 CG2 VAL A 63 -17.188 4.194 -0.980 1.00 0.00 C ATOM 0 H VAL A 63 -19.521 5.568 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.852 4.445 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.676 3.257 -2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.180 5.148 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.707 5.271 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.448 6.275 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -16.113 4.061 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.383 5.136 -0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.593 3.370 -0.392 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.613 2.071 -1.829 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.918 0.904 -1.054 1.00 0.00 C ATOM 1007 C GLU A 64 -18.631 0.211 -0.762 1.00 0.00 C ATOM 1008 O GLU A 64 -17.702 0.305 -1.540 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.873 -0.030 -1.765 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.251 0.560 -1.979 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.216 -0.441 -2.546 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.187 -0.687 -3.758 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -24.026 -1.017 -1.785 1.00 0.00 O ATOM 0 H GLU A 64 -19.139 1.883 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.420 1.207 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.449 -0.302 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.966 -0.950 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.635 0.935 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -22.178 1.414 -2.653 1.00 0.00 H new ATOM 1020 N THR A 65 -18.542 -0.426 0.340 1.00 0.00 N ATOM 1021 CA THR A 65 -17.334 -1.095 0.690 1.00 0.00 C ATOM 1022 C THR A 65 -17.643 -2.339 1.440 1.00 0.00 C ATOM 1023 O THR A 65 -18.695 -2.446 2.095 1.00 0.00 O ATOM 1024 CB THR A 65 -16.414 -0.186 1.551 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.164 -0.840 1.859 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.117 0.233 2.841 1.00 0.00 C ATOM 0 H THR A 65 -19.293 -0.504 1.026 1.00 0.00 H new ATOM 0 HA THR A 65 -16.808 -1.341 -0.232 1.00 0.00 H new ATOM 0 HB THR A 65 -16.196 0.706 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.830 -0.517 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.453 0.869 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.026 0.784 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.374 -0.654 3.420 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.766 -3.269 1.343 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.880 -4.463 2.108 1.00 0.00 C ATOM 1036 C ARG A 66 -16.412 -4.163 3.503 1.00 0.00 C ATOM 1037 O ARG A 66 -15.348 -3.573 3.700 1.00 0.00 O ATOM 1038 CB ARG A 66 -16.067 -5.621 1.517 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.141 -6.898 2.361 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.308 -8.037 1.785 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.888 -8.621 0.555 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.190 -8.900 -0.567 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.974 -8.416 -0.739 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -15.743 -9.604 -1.534 1.00 0.00 N ATOM 0 H ARG A 66 -15.949 -3.228 0.734 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.922 -4.784 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.429 -5.835 0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.025 -5.315 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.799 -6.680 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.180 -7.217 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.305 -7.670 1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.205 -8.819 2.537 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.887 -8.828 0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.554 -7.826 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.455 -8.632 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.701 -9.940 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.213 -9.813 -2.380 1.00 0.00 H new ATOM 1058 N THR A 67 -17.228 -4.473 4.441 1.00 0.00 N ATOM 1059 CA THR A 67 -16.869 -4.355 5.806 1.00 0.00 C ATOM 1060 C THR A 67 -16.463 -5.756 6.269 1.00 0.00 C ATOM 1061 O THR A 67 -16.856 -6.738 5.627 1.00 0.00 O ATOM 1062 CB THR A 67 -18.042 -3.753 6.642 1.00 0.00 C ATOM 1063 OG1 THR A 67 -17.707 -3.656 8.030 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.284 -4.561 6.470 1.00 0.00 C ATOM 0 H THR A 67 -18.174 -4.820 4.282 1.00 0.00 H new ATOM 0 HA THR A 67 -16.037 -3.665 5.947 1.00 0.00 H new ATOM 0 HB THR A 67 -18.221 -2.745 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 -18.115 -4.402 8.518 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.088 -4.123 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 67 -19.570 -4.569 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.103 -5.583 6.804 1.00 0.00 H new ATOM 1072 N SER A 68 -15.698 -5.871 7.347 1.00 0.00 N ATOM 1073 CA SER A 68 -15.207 -7.167 7.834 1.00 0.00 C ATOM 1074 C SER A 68 -16.343 -8.087 8.339 1.00 0.00 C ATOM 1075 O SER A 68 -16.115 -9.237 8.722 1.00 0.00 O ATOM 1076 CB SER A 68 -14.136 -6.937 8.890 1.00 0.00 C ATOM 1077 OG SER A 68 -13.112 -6.110 8.347 1.00 0.00 O ATOM 0 H SER A 68 -15.398 -5.076 7.911 1.00 0.00 H new ATOM 0 HA SER A 68 -14.762 -7.701 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.572 -6.465 9.770 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.717 -7.890 9.214 1.00 0.00 H new ATOM 0 HG SER A 68 -12.421 -5.958 9.025 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.560 -7.564 8.315 1.00 0.00 N ATOM 1084 CA ASP A 69 -18.765 -8.329 8.605 1.00 0.00 C ATOM 1085 C ASP A 69 -19.016 -9.277 7.425 1.00 0.00 C ATOM 1086 O ASP A 69 -19.697 -10.290 7.549 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.973 -7.385 8.772 1.00 0.00 C ATOM 1088 CG ASP A 69 -19.776 -6.328 9.844 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -19.042 -5.331 9.593 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -20.344 -6.458 10.942 1.00 0.00 O ATOM 0 H ASP A 69 -17.741 -6.586 8.091 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.636 -8.889 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.173 -6.892 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -20.855 -7.977 9.015 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.453 -8.912 6.270 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.506 -9.729 5.082 1.00 0.00 C ATOM 1097 C GLY A 70 -19.332 -9.127 3.971 1.00 0.00 C ATOM 1098 O GLY A 70 -19.116 -9.428 2.792 1.00 0.00 O ATOM 0 H GLY A 70 -17.948 -8.035 6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.491 -9.895 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.916 -10.705 5.340 1.00 0.00 H new ATOM 1102 N SER A 71 -20.229 -8.255 4.321 1.00 0.00 N ATOM 1103 CA SER A 71 -21.108 -7.660 3.347 1.00 0.00 C ATOM 1104 C SER A 71 -20.630 -6.267 2.918 1.00 0.00 C ATOM 1105 O SER A 71 -19.793 -5.645 3.587 1.00 0.00 O ATOM 1106 CB SER A 71 -22.518 -7.604 3.921 1.00 0.00 C ATOM 1107 OG SER A 71 -22.934 -8.902 4.329 1.00 0.00 O ATOM 0 H SER A 71 -20.376 -7.935 5.278 1.00 0.00 H new ATOM 0 HA SER A 71 -21.104 -8.278 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.546 -6.921 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.207 -7.211 3.174 1.00 0.00 H new ATOM 0 HG SER A 71 -23.841 -8.854 4.698 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.128 -5.814 1.791 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.836 -4.490 1.280 1.00 0.00 C ATOM 1115 C PHE A 72 -21.895 -3.512 1.739 1.00 0.00 C ATOM 1116 O PHE A 72 -23.098 -3.727 1.507 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.753 -4.492 -0.246 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.527 -5.156 -0.810 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.415 -6.530 -0.862 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.496 -4.392 -1.305 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.298 -7.126 -1.393 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.374 -4.982 -1.835 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.272 -6.348 -1.882 1.00 0.00 C ATOM 0 H PHE A 72 -21.753 -6.357 1.196 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.866 -4.183 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.636 -4.993 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.786 -3.461 -0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.217 -7.145 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.569 -3.315 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.224 -8.203 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.571 -4.368 -2.215 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.391 -6.812 -2.301 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.468 -2.461 2.391 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.376 -1.462 2.907 1.00 0.00 C ATOM 1135 C GLN A 73 -22.019 -0.106 2.325 1.00 0.00 C ATOM 1136 O GLN A 73 -20.899 0.084 1.830 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.331 -1.394 4.446 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.523 -2.731 5.166 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.799 -3.490 4.786 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -24.851 -2.790 4.422 1.00 0.00 O flip ATOM 1141 NE2 GLN A 73 -23.820 -4.723 4.827 1.00 0.00 N flip ATOM 0 H GLN A 73 -20.484 -2.271 2.580 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.388 -1.741 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.372 -0.973 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -23.103 -0.703 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -21.663 -3.367 4.956 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.531 -2.551 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.987 -5.238 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.670 -5.227 4.574 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.948 0.817 2.402 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.790 2.153 1.867 1.00 0.00 C ATOM 1152 C GLU A 74 -21.926 2.982 2.825 1.00 0.00 C ATOM 1153 O GLU A 74 -22.198 3.053 4.047 1.00 0.00 O ATOM 1154 CB GLU A 74 -24.173 2.789 1.684 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.202 4.052 0.837 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.600 4.628 0.719 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.547 3.864 0.468 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.781 5.853 0.897 1.00 0.00 O ATOM 0 H GLU A 74 -23.853 0.660 2.846 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.294 2.117 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.836 2.052 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.580 3.022 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.539 4.798 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.817 3.830 -0.158 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.906 3.591 2.295 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.955 4.328 3.089 1.00 0.00 C ATOM 1167 C ALA A 75 -19.478 5.572 2.377 1.00 0.00 C ATOM 1168 O ALA A 75 -19.787 5.785 1.218 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.773 3.447 3.398 1.00 0.00 C ATOM 0 H ALA A 75 -20.705 3.593 1.295 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.452 4.635 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.052 4.002 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.108 2.570 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.302 3.130 2.467 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.738 6.391 3.084 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.142 7.611 2.500 1.00 0.00 C ATOM 1177 C ILE A 76 -16.630 7.570 2.707 1.00 0.00 C ATOM 1178 O ILE A 76 -16.171 7.157 3.780 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.667 8.957 3.154 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.186 9.093 3.087 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.011 10.185 2.522 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.929 8.361 4.173 1.00 0.00 C ATOM 0 H ILE A 76 -18.522 6.251 4.071 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.428 7.615 1.448 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.383 8.904 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.446 10.150 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.528 8.726 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.396 11.088 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.931 10.134 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.237 10.210 1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.001 8.513 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.704 7.296 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.620 8.743 5.146 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.851 7.972 1.705 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.405 8.055 1.876 1.00 0.00 C ATOM 1196 C ILE A 77 -14.081 9.218 2.805 1.00 0.00 C ATOM 1197 O ILE A 77 -14.478 10.354 2.550 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.573 8.218 0.543 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.720 7.026 -0.407 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.092 8.432 0.836 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.024 6.951 -1.124 1.00 0.00 C ATOM 0 H ILE A 77 -16.191 8.241 0.782 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.106 7.093 2.293 1.00 0.00 H new ATOM 0 HB ILE A 77 -13.987 9.098 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.918 7.067 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.582 6.107 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.548 8.541 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.966 9.334 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.702 7.575 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.033 6.075 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.834 6.874 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.160 7.849 -1.726 1.00 0.00 H new ATOM 1213 N SER A 78 -13.412 8.930 3.880 1.00 0.00 N ATOM 1214 CA SER A 78 -13.032 9.929 4.843 1.00 0.00 C ATOM 1215 C SER A 78 -11.552 10.291 4.671 1.00 0.00 C ATOM 1216 O SER A 78 -11.116 11.388 5.029 1.00 0.00 O ATOM 1217 CB SER A 78 -13.290 9.379 6.226 1.00 0.00 C ATOM 1218 OG SER A 78 -14.601 8.843 6.291 1.00 0.00 O ATOM 0 H SER A 78 -13.109 7.986 4.119 1.00 0.00 H new ATOM 0 HA SER A 78 -13.617 10.837 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.559 8.606 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.172 10.168 6.969 1.00 0.00 H new ATOM 0 HG SER A 78 -15.004 9.069 7.155 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.805 9.375 4.090 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.389 9.548 3.845 1.00 0.00 C ATOM 1226 C LYS A 79 -8.962 8.515 2.834 1.00 0.00 C ATOM 1227 O LYS A 79 -9.511 7.418 2.820 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.572 9.301 5.146 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.079 9.558 5.000 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.325 9.164 6.251 1.00 0.00 C ATOM 1231 CE LYS A 79 -4.841 9.401 6.090 1.00 0.00 C ATOM 1232 NZ LYS A 79 -4.099 9.024 7.300 1.00 0.00 N ATOM 0 H LYS A 79 -11.170 8.478 3.771 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.210 10.564 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.965 9.941 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.723 8.270 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.693 8.996 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.909 10.614 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.698 9.737 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.506 8.112 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.470 8.826 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.662 10.453 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.084 9.200 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.436 9.590 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.250 8.015 7.500 1.00 0.00 H new ATOM 1246 N LEU A 80 -8.057 8.851 1.973 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.439 7.851 1.173 1.00 0.00 C ATOM 1248 C LEU A 80 -5.950 7.896 1.445 1.00 0.00 C ATOM 1249 O LEU A 80 -5.266 8.912 1.223 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.893 7.796 -0.339 1.00 0.00 C ATOM 1251 CG LEU A 80 -7.483 8.876 -1.381 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.821 10.274 -0.958 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -6.038 8.740 -1.824 1.00 0.00 C ATOM 0 H LEU A 80 -7.733 9.804 1.808 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.806 6.870 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.549 6.839 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.983 7.766 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.099 8.678 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.507 10.974 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.897 10.358 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.305 10.507 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.805 9.518 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.381 8.842 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.888 7.761 -2.280 1.00 0.00 H new ATOM 1265 N THR A 81 -5.481 6.830 1.984 1.00 0.00 N ATOM 1266 CA THR A 81 -4.194 6.746 2.557 1.00 0.00 C ATOM 1267 C THR A 81 -3.260 6.050 1.598 1.00 0.00 C ATOM 1268 O THR A 81 -3.674 5.137 0.850 1.00 0.00 O ATOM 1269 CB THR A 81 -4.290 5.948 3.882 1.00 0.00 C ATOM 1270 OG1 THR A 81 -5.410 6.434 4.636 1.00 0.00 O ATOM 1271 CG2 THR A 81 -3.032 6.106 4.726 1.00 0.00 C ATOM 0 H THR A 81 -6.008 5.958 2.038 1.00 0.00 H new ATOM 0 HA THR A 81 -3.807 7.745 2.760 1.00 0.00 H new ATOM 0 HB THR A 81 -4.408 4.893 3.635 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.481 5.934 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.137 5.532 5.647 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.171 5.741 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.887 7.159 4.969 1.00 0.00 H new ATOM 1301 N SER A 84 0.894 0.821 -0.953 1.00 0.00 N ATOM 1302 CA SER A 84 1.433 0.111 -2.081 1.00 0.00 C ATOM 1303 C SER A 84 2.173 -1.090 -1.535 1.00 0.00 C ATOM 1304 O SER A 84 2.797 -1.000 -0.477 1.00 0.00 O ATOM 1305 CB SER A 84 2.400 0.976 -2.921 1.00 0.00 C ATOM 1306 OG SER A 84 1.775 2.122 -3.494 1.00 0.00 O ATOM 0 HA SER A 84 0.617 -0.175 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.229 1.299 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.825 0.365 -3.718 1.00 0.00 H new ATOM 0 HG SER A 84 0.987 2.364 -2.964 1.00 0.00 H new ATOM 1312 N TRP A 85 2.043 -2.201 -2.192 1.00 0.00 N ATOM 1313 CA TRP A 85 2.781 -3.379 -1.822 1.00 0.00 C ATOM 1314 C TRP A 85 3.973 -3.492 -2.730 1.00 0.00 C ATOM 1315 O TRP A 85 3.834 -3.349 -3.954 1.00 0.00 O ATOM 1316 CB TRP A 85 1.928 -4.649 -1.931 1.00 0.00 C ATOM 1317 CG TRP A 85 0.824 -4.766 -0.920 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.502 -4.918 -1.176 1.00 0.00 C ATOM 1319 CD2 TRP A 85 0.954 -4.751 0.511 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -1.203 -5.013 -0.002 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -0.339 -4.902 1.047 1.00 0.00 C ATOM 1322 CE3 TRP A 85 2.033 -4.624 1.390 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 -0.582 -4.932 2.418 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 1.789 -4.653 2.747 1.00 0.00 C ATOM 1325 CH2 TRP A 85 0.494 -4.804 3.250 1.00 0.00 C ATOM 0 H TRP A 85 1.427 -2.322 -2.996 1.00 0.00 H new ATOM 0 HA TRP A 85 3.089 -3.285 -0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 85 1.491 -4.690 -2.929 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.582 -5.516 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.940 -4.958 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -2.211 -5.146 0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.038 -4.505 1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -1.582 -5.052 2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 2.616 -4.557 3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.341 -4.820 4.319 1.00 0.00 H new ATOM 1336 N TYR A 86 5.132 -3.709 -2.169 1.00 0.00 N ATOM 1337 CA TYR A 86 6.337 -3.825 -2.961 1.00 0.00 C ATOM 1338 C TYR A 86 6.967 -5.157 -2.692 1.00 0.00 C ATOM 1339 O TYR A 86 7.302 -5.468 -1.551 1.00 0.00 O ATOM 1340 CB TYR A 86 7.351 -2.732 -2.596 1.00 0.00 C ATOM 1341 CG TYR A 86 6.801 -1.328 -2.591 1.00 0.00 C ATOM 1342 CD1 TYR A 86 6.145 -0.847 -1.474 1.00 0.00 C ATOM 1343 CD2 TYR A 86 6.934 -0.481 -3.687 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.643 0.415 -1.442 1.00 0.00 C ATOM 1345 CE2 TYR A 86 6.426 0.792 -3.648 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.788 1.232 -2.528 1.00 0.00 C ATOM 1347 OH TYR A 86 5.275 2.495 -2.488 1.00 0.00 O ATOM 0 H TYR A 86 5.272 -3.810 -1.164 1.00 0.00 H new ATOM 0 HA TYR A 86 6.067 -3.719 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.758 -2.950 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.182 -2.778 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.029 -1.486 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.441 -0.829 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.131 0.772 -0.561 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.531 1.444 -4.503 1.00 0.00 H new ATOM 0 HH TYR A 86 5.461 2.951 -3.336 1.00 0.00 H new ATOM 1357 N THR A 87 7.112 -5.943 -3.699 1.00 0.00 N ATOM 1358 CA THR A 87 7.735 -7.184 -3.568 1.00 0.00 C ATOM 1359 C THR A 87 9.163 -7.019 -4.012 1.00 0.00 C ATOM 1360 O THR A 87 9.445 -6.766 -5.201 1.00 0.00 O ATOM 1361 CB THR A 87 7.014 -8.250 -4.387 1.00 0.00 C ATOM 1362 OG1 THR A 87 5.641 -8.331 -3.963 1.00 0.00 O ATOM 1363 CG2 THR A 87 7.661 -9.583 -4.187 1.00 0.00 C ATOM 0 H THR A 87 6.793 -5.727 -4.643 1.00 0.00 H new ATOM 0 HA THR A 87 7.702 -7.520 -2.532 1.00 0.00 H new ATOM 0 HB THR A 87 7.067 -7.978 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.176 -9.014 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.136 -10.334 -4.777 1.00 0.00 H new ATOM 0 HG22 THR A 87 8.702 -9.533 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.617 -9.854 -3.132 1.00 0.00 H new ATOM 1371 N VAL A 88 10.032 -7.080 -3.061 1.00 0.00 N ATOM 1372 CA VAL A 88 11.429 -6.880 -3.274 1.00 0.00 C ATOM 1373 C VAL A 88 12.163 -8.192 -3.194 1.00 0.00 C ATOM 1374 O VAL A 88 11.749 -9.106 -2.470 1.00 0.00 O ATOM 1375 CB VAL A 88 12.022 -5.882 -2.245 1.00 0.00 C ATOM 1376 CG1 VAL A 88 11.498 -4.490 -2.480 1.00 0.00 C ATOM 1377 CG2 VAL A 88 11.688 -6.301 -0.844 1.00 0.00 C ATOM 0 H VAL A 88 9.787 -7.275 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 88 11.554 -6.456 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 88 13.104 -5.884 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.929 -3.810 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.773 -4.162 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.412 -4.489 -2.382 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.114 -5.587 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.605 -6.330 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.102 -7.291 -0.652 1.00 0.00 H new ATOM 1387 N VAL A 89 13.209 -8.290 -3.944 1.00 0.00 N ATOM 1388 CA VAL A 89 14.023 -9.463 -3.966 1.00 0.00 C ATOM 1389 C VAL A 89 15.273 -9.232 -3.128 1.00 0.00 C ATOM 1390 O VAL A 89 16.002 -8.246 -3.317 1.00 0.00 O ATOM 1391 CB VAL A 89 14.364 -9.921 -5.423 1.00 0.00 C ATOM 1392 CG1 VAL A 89 15.067 -8.841 -6.237 1.00 0.00 C ATOM 1393 CG2 VAL A 89 15.173 -11.200 -5.423 1.00 0.00 C ATOM 0 H VAL A 89 13.528 -7.549 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 89 13.457 -10.284 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 89 13.408 -10.113 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.277 -9.219 -7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.425 -7.963 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.002 -8.568 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 89 15.393 -11.491 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.106 -11.040 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 89 14.603 -11.991 -4.936 1.00 0.00 H new ATOM 1403 N PHE A 90 15.468 -10.098 -2.163 1.00 0.00 N ATOM 1404 CA PHE A 90 16.586 -10.003 -1.253 1.00 0.00 C ATOM 1405 C PHE A 90 17.774 -10.808 -1.745 1.00 0.00 C ATOM 1406 O PHE A 90 17.724 -11.419 -2.821 1.00 0.00 O ATOM 1407 CB PHE A 90 16.191 -10.512 0.133 1.00 0.00 C ATOM 1408 CG PHE A 90 15.096 -9.744 0.792 1.00 0.00 C ATOM 1409 CD1 PHE A 90 15.246 -8.402 1.050 1.00 0.00 C ATOM 1410 CD2 PHE A 90 13.925 -10.369 1.169 1.00 0.00 C ATOM 1411 CE1 PHE A 90 14.249 -7.687 1.677 1.00 0.00 C ATOM 1412 CE2 PHE A 90 12.924 -9.664 1.798 1.00 0.00 C ATOM 1413 CZ PHE A 90 13.085 -8.320 2.056 1.00 0.00 C ATOM 0 H PHE A 90 14.853 -10.892 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 90 16.868 -8.951 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 90 15.884 -11.555 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 90 17.070 -10.490 0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 90 16.157 -7.902 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.793 -11.422 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 90 14.379 -6.633 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 90 12.012 -10.164 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 90 12.303 -7.765 2.553 1.00 0.00 H new ATOM 1423 N ASP A 91 18.806 -10.844 -0.906 1.00 0.00 N ATOM 1424 CA ASP A 91 20.082 -11.565 -1.114 1.00 0.00 C ATOM 1425 C ASP A 91 19.874 -13.020 -1.537 1.00 0.00 C ATOM 1426 O ASP A 91 20.649 -13.570 -2.306 1.00 0.00 O ATOM 1427 CB ASP A 91 20.901 -11.557 0.203 1.00 0.00 C ATOM 1428 CG ASP A 91 20.211 -12.309 1.349 1.00 0.00 C ATOM 1429 OD1 ASP A 91 19.243 -11.779 1.947 1.00 0.00 O ATOM 1430 OD2 ASP A 91 20.622 -13.445 1.671 1.00 0.00 O ATOM 0 H ASP A 91 18.785 -10.350 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 91 20.610 -11.049 -1.916 1.00 0.00 H new ATOM 0 HB2 ASP A 91 21.877 -12.005 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 91 21.076 -10.525 0.508 1.00 0.00 H new ATOM 1435 N ASP A 92 18.813 -13.621 -1.043 1.00 0.00 N ATOM 1436 CA ASP A 92 18.513 -15.032 -1.290 1.00 0.00 C ATOM 1437 C ASP A 92 17.899 -15.244 -2.673 1.00 0.00 C ATOM 1438 O ASP A 92 17.919 -16.348 -3.223 1.00 0.00 O ATOM 1439 CB ASP A 92 17.542 -15.529 -0.205 1.00 0.00 C ATOM 1440 CG ASP A 92 17.152 -16.986 -0.350 1.00 0.00 C ATOM 1441 OD1 ASP A 92 17.984 -17.856 -0.072 1.00 0.00 O ATOM 1442 OD2 ASP A 92 16.001 -17.284 -0.730 1.00 0.00 O ATOM 0 H ASP A 92 18.125 -13.150 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 92 19.444 -15.597 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.999 -15.381 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 92 16.640 -14.917 -0.231 1.00 0.00 H new ATOM 1447 N GLY A 93 17.423 -14.174 -3.261 1.00 0.00 N ATOM 1448 CA GLY A 93 16.669 -14.287 -4.491 1.00 0.00 C ATOM 1449 C GLY A 93 15.217 -14.496 -4.147 1.00 0.00 C ATOM 1450 O GLY A 93 14.401 -14.894 -4.974 1.00 0.00 O ATOM 0 H GLY A 93 17.541 -13.222 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 93 16.789 -13.386 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.040 -15.121 -5.087 1.00 0.00 H new ATOM 1454 N ASP A 94 14.914 -14.201 -2.904 1.00 0.00 N ATOM 1455 CA ASP A 94 13.610 -14.383 -2.347 1.00 0.00 C ATOM 1456 C ASP A 94 12.879 -13.093 -2.406 1.00 0.00 C ATOM 1457 O ASP A 94 13.443 -12.036 -2.091 1.00 0.00 O ATOM 1458 CB ASP A 94 13.714 -14.851 -0.904 1.00 0.00 C ATOM 1459 CG ASP A 94 12.377 -15.165 -0.267 1.00 0.00 C ATOM 1460 OD1 ASP A 94 11.666 -16.063 -0.765 1.00 0.00 O ATOM 1461 OD2 ASP A 94 12.030 -14.548 0.759 1.00 0.00 O ATOM 0 H ASP A 94 15.590 -13.819 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 94 13.073 -15.140 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.343 -15.740 -0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.214 -14.081 -0.317 1.00 0.00 H new ATOM 1466 N GLU A 95 11.668 -13.172 -2.803 1.00 0.00 N ATOM 1467 CA GLU A 95 10.827 -12.025 -2.950 1.00 0.00 C ATOM 1468 C GLU A 95 9.871 -11.934 -1.797 1.00 0.00 C ATOM 1469 O GLU A 95 9.183 -12.909 -1.488 1.00 0.00 O ATOM 1470 CB GLU A 95 10.044 -12.120 -4.240 1.00 0.00 C ATOM 1471 CG GLU A 95 10.854 -11.917 -5.491 1.00 0.00 C ATOM 1472 CD GLU A 95 10.006 -12.041 -6.721 1.00 0.00 C ATOM 1473 OE1 GLU A 95 9.205 -11.137 -7.016 1.00 0.00 O ATOM 1474 OE2 GLU A 95 10.121 -13.037 -7.437 1.00 0.00 O ATOM 0 H GLU A 95 11.212 -14.052 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 95 11.455 -11.134 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.569 -13.100 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.245 -11.379 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.321 -10.932 -5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.659 -12.651 -5.527 1.00 0.00 H new ATOM 1481 N ARG A 96 9.809 -10.796 -1.167 1.00 0.00 N ATOM 1482 CA ARG A 96 8.897 -10.600 -0.075 1.00 0.00 C ATOM 1483 C ARG A 96 8.233 -9.250 -0.225 1.00 0.00 C ATOM 1484 O ARG A 96 8.870 -8.285 -0.660 1.00 0.00 O ATOM 1485 CB ARG A 96 9.628 -10.706 1.242 1.00 0.00 C ATOM 1486 CG ARG A 96 8.707 -10.946 2.419 1.00 0.00 C ATOM 1487 CD ARG A 96 9.458 -11.633 3.515 1.00 0.00 C ATOM 1488 NE ARG A 96 8.596 -12.075 4.632 1.00 0.00 N ATOM 1489 CZ ARG A 96 9.000 -12.865 5.651 1.00 0.00 C ATOM 1490 NH1 ARG A 96 10.281 -13.193 5.780 1.00 0.00 N ATOM 1491 NH2 ARG A 96 8.126 -13.294 6.548 1.00 0.00 N ATOM 0 H ARG A 96 10.383 -9.984 -1.392 1.00 0.00 H new ATOM 0 HA ARG A 96 8.130 -11.374 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.352 -11.519 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.192 -9.789 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.306 -9.998 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.857 -11.555 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.977 -12.498 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.221 -10.957 3.901 1.00 0.00 H new ATOM 0 HE ARG A 96 7.626 -11.761 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.966 -12.848 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.579 -13.790 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.144 -13.028 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.434 -13.890 7.316 1.00 0.00 H new ATOM 1505 N THR A 97 6.972 -9.187 0.075 1.00 0.00 N ATOM 1506 CA THR A 97 6.203 -7.987 -0.076 1.00 0.00 C ATOM 1507 C THR A 97 6.258 -7.139 1.214 1.00 0.00 C ATOM 1508 O THR A 97 5.726 -7.545 2.259 1.00 0.00 O ATOM 1509 CB THR A 97 4.751 -8.369 -0.407 1.00 0.00 C ATOM 1510 OG1 THR A 97 4.739 -9.289 -1.526 1.00 0.00 O ATOM 1511 CG2 THR A 97 3.951 -7.149 -0.771 1.00 0.00 C ATOM 0 H THR A 97 6.439 -9.978 0.437 1.00 0.00 H new ATOM 0 HA THR A 97 6.619 -7.388 -0.886 1.00 0.00 H new ATOM 0 HB THR A 97 4.307 -8.836 0.472 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.092 -8.840 -2.322 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.927 -7.441 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.950 -6.452 0.067 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.396 -6.669 -1.642 1.00 0.00 H new ATOM 1519 N LEU A 98 6.907 -5.985 1.149 1.00 0.00 N ATOM 1520 CA LEU A 98 7.037 -5.130 2.317 1.00 0.00 C ATOM 1521 C LEU A 98 6.207 -3.854 2.157 1.00 0.00 C ATOM 1522 O LEU A 98 5.650 -3.582 1.082 1.00 0.00 O ATOM 1523 CB LEU A 98 8.507 -4.735 2.620 1.00 0.00 C ATOM 1524 CG LEU A 98 9.556 -5.853 2.832 1.00 0.00 C ATOM 1525 CD1 LEU A 98 10.808 -5.275 3.466 1.00 0.00 C ATOM 1526 CD2 LEU A 98 9.010 -7.004 3.664 1.00 0.00 C ATOM 0 H LEU A 98 7.349 -5.622 0.304 1.00 0.00 H new ATOM 0 HA LEU A 98 6.666 -5.718 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.855 -4.108 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.503 -4.114 3.516 1.00 0.00 H new ATOM 0 HG LEU A 98 9.806 -6.263 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.541 -6.068 3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.227 -4.510 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.557 -4.832 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.782 -7.764 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.708 -6.634 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.148 -7.441 3.160 1.00 0.00 H new ATOM 1538 N ARG A 99 6.142 -3.094 3.235 1.00 0.00 N ATOM 1539 CA ARG A 99 5.410 -1.834 3.307 1.00 0.00 C ATOM 1540 C ARG A 99 6.394 -0.684 3.129 1.00 0.00 C ATOM 1541 O ARG A 99 7.603 -0.895 3.225 1.00 0.00 O ATOM 1542 CB ARG A 99 4.766 -1.727 4.691 1.00 0.00 C ATOM 1543 CG ARG A 99 3.811 -2.862 5.004 1.00 0.00 C ATOM 1544 CD ARG A 99 3.414 -2.878 6.468 1.00 0.00 C ATOM 1545 NE ARG A 99 4.584 -3.068 7.357 1.00 0.00 N ATOM 1546 CZ ARG A 99 4.534 -3.629 8.574 1.00 0.00 C ATOM 1547 NH1 ARG A 99 3.377 -4.049 9.065 1.00 0.00 N ATOM 1548 NH2 ARG A 99 5.643 -3.754 9.305 1.00 0.00 N ATOM 0 H ARG A 99 6.607 -3.339 4.109 1.00 0.00 H new ATOM 0 HA ARG A 99 4.646 -1.793 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.551 -1.704 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.229 -0.781 4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.918 -2.766 4.386 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.278 -3.812 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.916 -1.942 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.694 -3.678 6.640 1.00 0.00 H new ATOM 0 HE ARG A 99 5.492 -2.749 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.523 -3.946 8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.341 -4.476 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.535 -3.422 8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.599 -4.182 10.230 1.00 0.00 H new ATOM 1562 N ARG A 100 5.894 0.538 2.941 1.00 0.00 N ATOM 1563 CA ARG A 100 6.772 1.715 2.789 1.00 0.00 C ATOM 1564 C ARG A 100 7.485 2.019 4.094 1.00 0.00 C ATOM 1565 O ARG A 100 8.558 2.595 4.109 1.00 0.00 O ATOM 1566 CB ARG A 100 6.002 2.960 2.344 1.00 0.00 C ATOM 1567 CG ARG A 100 5.350 2.847 0.990 1.00 0.00 C ATOM 1568 CD ARG A 100 4.695 4.151 0.586 1.00 0.00 C ATOM 1569 NE ARG A 100 4.019 4.045 -0.704 1.00 0.00 N ATOM 1570 CZ ARG A 100 3.101 4.888 -1.157 1.00 0.00 C ATOM 1571 NH1 ARG A 100 2.906 6.040 -0.539 1.00 0.00 N ATOM 1572 NH2 ARG A 100 2.428 4.605 -2.262 1.00 0.00 N ATOM 0 H ARG A 100 4.897 0.745 2.890 1.00 0.00 H new ATOM 0 HA ARG A 100 7.497 1.465 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.233 3.179 3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.686 3.809 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.096 2.566 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.604 2.053 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.976 4.448 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.449 4.936 0.537 1.00 0.00 H new ATOM 0 HE ARG A 100 4.273 3.260 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.461 6.278 0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.201 6.691 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.616 3.738 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.722 5.254 -2.610 1.00 0.00 H new ATOM 1586 N THR A 101 6.886 1.604 5.178 1.00 0.00 N ATOM 1587 CA THR A 101 7.428 1.801 6.504 1.00 0.00 C ATOM 1588 C THR A 101 8.465 0.685 6.821 1.00 0.00 C ATOM 1589 O THR A 101 9.002 0.593 7.916 1.00 0.00 O ATOM 1590 CB THR A 101 6.259 1.753 7.506 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.151 2.487 6.938 1.00 0.00 O ATOM 1592 CG2 THR A 101 6.639 2.401 8.830 1.00 0.00 C ATOM 0 H THR A 101 5.993 1.111 5.169 1.00 0.00 H new ATOM 0 HA THR A 101 7.936 2.763 6.572 1.00 0.00 H new ATOM 0 HB THR A 101 5.998 0.712 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.393 2.468 7.559 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.793 2.351 9.516 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.489 1.873 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 101 6.908 3.444 8.661 1.00 0.00 H new ATOM 1600 N SER A 102 8.722 -0.154 5.846 1.00 0.00 N ATOM 1601 CA SER A 102 9.671 -1.225 5.991 1.00 0.00 C ATOM 1602 C SER A 102 10.780 -1.057 4.938 1.00 0.00 C ATOM 1603 O SER A 102 11.748 -1.831 4.888 1.00 0.00 O ATOM 1604 CB SER A 102 8.922 -2.535 5.768 1.00 0.00 C ATOM 1605 OG SER A 102 7.702 -2.548 6.526 1.00 0.00 O ATOM 0 H SER A 102 8.277 -0.111 4.929 1.00 0.00 H new ATOM 0 HA SER A 102 10.128 -1.220 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.701 -2.659 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.550 -3.376 6.063 1.00 0.00 H new ATOM 0 HG SER A 102 7.311 -3.446 6.501 1.00 0.00 H new ATOM 1611 N LEU A 103 10.642 -0.011 4.135 1.00 0.00 N ATOM 1612 CA LEU A 103 11.515 0.242 3.015 1.00 0.00 C ATOM 1613 C LEU A 103 12.028 1.667 3.066 1.00 0.00 C ATOM 1614 O LEU A 103 11.468 2.522 3.761 1.00 0.00 O ATOM 1615 CB LEU A 103 10.736 0.063 1.702 1.00 0.00 C ATOM 1616 CG LEU A 103 10.174 -1.327 1.405 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.328 -1.285 0.161 1.00 0.00 C ATOM 1618 CD2 LEU A 103 11.287 -2.328 1.228 1.00 0.00 C ATOM 0 H LEU A 103 9.910 0.689 4.251 1.00 0.00 H new ATOM 0 HA LEU A 103 12.349 -0.458 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.906 0.769 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.393 0.344 0.879 1.00 0.00 H new ATOM 0 HG LEU A 103 9.560 -1.635 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.932 -2.280 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.503 -0.588 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.936 -0.957 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.863 -3.310 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.923 -2.022 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.881 -2.377 2.141 1.00 0.00 H new ATOM 1630 N CYS A 104 13.079 1.921 2.347 1.00 0.00 N ATOM 1631 CA CYS A 104 13.588 3.241 2.226 1.00 0.00 C ATOM 1632 C CYS A 104 14.003 3.515 0.809 1.00 0.00 C ATOM 1633 O CYS A 104 15.006 2.974 0.324 1.00 0.00 O ATOM 1634 CB CYS A 104 14.755 3.509 3.178 1.00 0.00 C ATOM 1635 SG CYS A 104 15.318 5.236 3.177 1.00 0.00 S ATOM 0 H CYS A 104 13.603 1.215 1.830 1.00 0.00 H new ATOM 0 HA CYS A 104 12.781 3.919 2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 104 14.457 3.234 4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 104 15.590 2.864 2.905 1.00 0.00 H new ATOM 0 HG CYS A 104 16.305 5.371 4.012 1.00 0.00 H new