USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -103:sc= -1.88! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000989) USER MOD Single : A 17 TYR OH : rot 147:sc= 1.21 USER MOD Single : A 22 CYS SG : rot -54:sc= 0.235 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.15) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 1.09 (180deg=-0.204) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00279) 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+ 179:sc= 1.2 (180deg=1.05) USER MOD Single : A 41 GLN : amide:sc= 1.2 K(o=1.2,f=-0.041) USER MOD Single : A 43 ASN : amide:sc= -0.0768 X(o=-0.077,f=-0.05) USER MOD Single : A 44 THR OG1 : rot 170:sc= -1.26 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.01! C(o=-3!,f=-5.3!) USER MOD Single : A 49 GLN : amide:sc= 0.934 K(o=0.93,f=-7.6!) USER MOD Single : A 52 GLN : amide:sc= 0.43 K(o=0.43,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= 0.799 (180deg=0.54) USER MOD Single : A 65 THR OG1 : rot -140:sc= -0.0238 USER MOD Single : A 67 THR OG1 : rot -130:sc= 1.28 USER MOD Single : A 68 SER OG : rot 180:sc= 0.034 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 78 SER OG : rot 180: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 -156:sc= 0.0353 USER MOD Single : A 86 TYR OH : rot -7:sc= -1.95! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 97 THR OG1 : rot 46:sc= 0.0914 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 102 SER OG : rot -159:sc= 0 USER MOD Single : A 104 CYS SG : rot -170:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 2.767 2.018 -10.518 1.00 0.00 N ATOM 65 CA TYR A 6 3.158 3.023 -9.564 1.00 0.00 C ATOM 66 C TYR A 6 4.652 3.154 -9.728 1.00 0.00 C ATOM 67 O TYR A 6 5.182 4.220 -10.044 1.00 0.00 O ATOM 68 CB TYR A 6 2.790 2.551 -8.154 1.00 0.00 C ATOM 69 CG TYR A 6 2.765 3.635 -7.108 1.00 0.00 C ATOM 70 CD1 TYR A 6 3.893 3.967 -6.374 1.00 0.00 C ATOM 71 CD2 TYR A 6 1.593 4.315 -6.843 1.00 0.00 C ATOM 72 CE1 TYR A 6 3.846 4.946 -5.409 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.542 5.295 -5.886 1.00 0.00 C ATOM 74 CZ TYR A 6 2.666 5.606 -5.174 1.00 0.00 C ATOM 75 OH TYR A 6 2.606 6.570 -4.209 1.00 0.00 O ATOM 0 HA TYR A 6 2.660 3.980 -9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.809 2.078 -8.190 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.502 1.785 -7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.822 3.450 -6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.700 4.070 -7.400 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.731 5.193 -4.841 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.617 5.819 -5.696 1.00 0.00 H new ATOM 0 HH TYR A 6 1.699 6.939 -4.171 1.00 0.00 H new ATOM 85 N LEU A 7 5.307 2.036 -9.536 1.00 0.00 N ATOM 86 CA LEU A 7 6.688 1.845 -9.874 1.00 0.00 C ATOM 87 C LEU A 7 6.715 0.656 -10.814 1.00 0.00 C ATOM 88 O LEU A 7 5.670 0.275 -11.325 1.00 0.00 O ATOM 89 CB LEU A 7 7.567 1.606 -8.633 1.00 0.00 C ATOM 90 CG LEU A 7 7.667 2.767 -7.635 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.442 2.339 -6.398 1.00 0.00 C ATOM 92 CD2 LEU A 7 8.321 3.988 -8.274 1.00 0.00 C ATOM 0 H LEU A 7 4.875 1.208 -9.126 1.00 0.00 H new ATOM 0 HA LEU A 7 7.102 2.738 -10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.183 0.733 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.573 1.357 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 7 6.655 3.042 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.504 3.174 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.931 1.503 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.447 2.032 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.378 4.795 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.326 3.729 -8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.727 4.314 -9.128 1.00 0.00 H new ATOM 104 N THR A 8 7.829 0.028 -10.969 1.00 0.00 N ATOM 105 CA THR A 8 7.998 -0.951 -12.002 1.00 0.00 C ATOM 106 C THR A 8 8.404 -2.312 -11.437 1.00 0.00 C ATOM 107 O THR A 8 9.009 -2.398 -10.376 1.00 0.00 O ATOM 108 CB THR A 8 9.004 -0.414 -13.065 1.00 0.00 C ATOM 109 OG1 THR A 8 9.451 -1.440 -13.957 1.00 0.00 O ATOM 110 CG2 THR A 8 10.181 0.291 -12.403 1.00 0.00 C ATOM 0 H THR A 8 8.653 0.174 -10.386 1.00 0.00 H new ATOM 0 HA THR A 8 7.040 -1.117 -12.495 1.00 0.00 H new ATOM 0 HB THR A 8 8.466 0.318 -13.668 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.078 -1.058 -14.607 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.865 0.655 -13.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.816 1.132 -11.814 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.705 -0.409 -11.752 1.00 0.00 H new ATOM 118 N VAL A 9 8.022 -3.360 -12.138 1.00 0.00 N ATOM 119 CA VAL A 9 8.286 -4.719 -11.728 1.00 0.00 C ATOM 120 C VAL A 9 9.615 -5.209 -12.329 1.00 0.00 C ATOM 121 O VAL A 9 9.994 -4.805 -13.441 1.00 0.00 O ATOM 122 CB VAL A 9 7.099 -5.656 -12.134 1.00 0.00 C ATOM 123 CG1 VAL A 9 6.910 -5.722 -13.647 1.00 0.00 C ATOM 124 CG2 VAL A 9 7.252 -7.043 -11.538 1.00 0.00 C ATOM 0 H VAL A 9 7.513 -3.288 -13.019 1.00 0.00 H new ATOM 0 HA VAL A 9 8.376 -4.747 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 9 6.194 -5.214 -11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.076 -6.383 -13.881 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.700 -4.724 -14.031 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.819 -6.106 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.410 -7.664 -11.842 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.180 -7.491 -11.893 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.276 -6.971 -10.451 1.00 0.00 H new ATOM 134 N GLY A 10 10.334 -6.034 -11.583 1.00 0.00 N ATOM 135 CA GLY A 10 11.603 -6.568 -12.045 1.00 0.00 C ATOM 136 C GLY A 10 12.769 -5.737 -11.567 1.00 0.00 C ATOM 137 O GLY A 10 13.920 -6.159 -11.639 1.00 0.00 O ATOM 0 H GLY A 10 10.058 -6.348 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.717 -7.592 -11.690 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.606 -6.606 -13.134 1.00 0.00 H new ATOM 141 N THR A 11 12.463 -4.570 -11.071 1.00 0.00 N ATOM 142 CA THR A 11 13.429 -3.639 -10.619 1.00 0.00 C ATOM 143 C THR A 11 14.044 -4.082 -9.292 1.00 0.00 C ATOM 144 O THR A 11 13.364 -4.649 -8.424 1.00 0.00 O ATOM 145 CB THR A 11 12.728 -2.299 -10.458 1.00 0.00 C ATOM 146 OG1 THR A 11 11.970 -2.069 -11.645 1.00 0.00 O ATOM 147 CG2 THR A 11 13.718 -1.170 -10.276 1.00 0.00 C ATOM 0 H THR A 11 11.502 -4.242 -10.972 1.00 0.00 H new ATOM 0 HA THR A 11 14.244 -3.566 -11.339 1.00 0.00 H new ATOM 0 HB THR A 11 12.094 -2.328 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.437 -1.419 -12.210 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.180 -0.229 -10.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.318 -1.353 -9.385 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.370 -1.114 -11.148 1.00 0.00 H new ATOM 155 N ASP A 12 15.316 -3.857 -9.168 1.00 0.00 N ATOM 156 CA ASP A 12 16.034 -4.152 -7.963 1.00 0.00 C ATOM 157 C ASP A 12 15.987 -2.951 -7.080 1.00 0.00 C ATOM 158 O ASP A 12 16.217 -1.829 -7.535 1.00 0.00 O ATOM 159 CB ASP A 12 17.485 -4.561 -8.240 1.00 0.00 C ATOM 160 CG ASP A 12 17.601 -5.928 -8.867 1.00 0.00 C ATOM 161 OD1 ASP A 12 17.504 -6.938 -8.141 1.00 0.00 O ATOM 162 OD2 ASP A 12 17.811 -6.025 -10.102 1.00 0.00 O ATOM 0 H ASP A 12 15.893 -3.459 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 12 15.561 -5.002 -7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.945 -3.825 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.046 -4.547 -7.305 1.00 0.00 H new ATOM 167 N VAL A 13 15.646 -3.167 -5.849 1.00 0.00 N ATOM 168 CA VAL A 13 15.495 -2.112 -4.892 1.00 0.00 C ATOM 169 C VAL A 13 16.139 -2.486 -3.587 1.00 0.00 C ATOM 170 O VAL A 13 16.649 -3.590 -3.423 1.00 0.00 O ATOM 171 CB VAL A 13 13.993 -1.784 -4.612 1.00 0.00 C ATOM 172 CG1 VAL A 13 13.309 -1.267 -5.852 1.00 0.00 C ATOM 173 CG2 VAL A 13 13.250 -3.011 -4.077 1.00 0.00 C ATOM 0 H VAL A 13 15.461 -4.097 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 13 15.978 -1.234 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 13 13.967 -1.004 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.265 -1.047 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.807 -0.358 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.360 -2.022 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.207 -2.753 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.299 -3.815 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.713 -3.340 -3.147 1.00 0.00 H new ATOM 183 N SER A 14 16.134 -1.569 -2.679 1.00 0.00 N ATOM 184 CA SER A 14 16.538 -1.841 -1.348 1.00 0.00 C ATOM 185 C SER A 14 15.328 -1.607 -0.458 1.00 0.00 C ATOM 186 O SER A 14 14.495 -0.755 -0.773 1.00 0.00 O ATOM 187 CB SER A 14 17.719 -0.950 -0.944 1.00 0.00 C ATOM 188 OG SER A 14 18.840 -1.162 -1.796 1.00 0.00 O ATOM 0 H SER A 14 15.847 -0.604 -2.844 1.00 0.00 H new ATOM 0 HA SER A 14 16.883 -2.870 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 14 17.419 0.097 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.999 -1.159 0.088 1.00 0.00 H new ATOM 0 HG SER A 14 19.578 -0.580 -1.517 1.00 0.00 H new ATOM 194 N ALA A 15 15.193 -2.385 0.566 1.00 0.00 N ATOM 195 CA ALA A 15 14.121 -2.255 1.509 1.00 0.00 C ATOM 196 C ALA A 15 14.722 -2.026 2.870 1.00 0.00 C ATOM 197 O ALA A 15 15.763 -2.618 3.199 1.00 0.00 O ATOM 198 CB ALA A 15 13.261 -3.504 1.519 1.00 0.00 C ATOM 0 H ALA A 15 15.837 -3.147 0.778 1.00 0.00 H new ATOM 0 HA ALA A 15 13.483 -1.416 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.454 -3.384 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.839 -3.663 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.871 -4.364 1.796 1.00 0.00 H new ATOM 204 N LYS A 16 14.132 -1.144 3.624 1.00 0.00 N ATOM 205 CA LYS A 16 14.622 -0.835 4.947 1.00 0.00 C ATOM 206 C LYS A 16 14.272 -1.928 5.960 1.00 0.00 C ATOM 207 O LYS A 16 13.151 -2.445 5.985 1.00 0.00 O ATOM 208 CB LYS A 16 14.046 0.486 5.448 1.00 0.00 C ATOM 209 CG LYS A 16 14.375 1.697 4.602 1.00 0.00 C ATOM 210 CD LYS A 16 13.715 2.972 5.151 1.00 0.00 C ATOM 211 CE LYS A 16 12.187 2.890 5.139 1.00 0.00 C ATOM 212 NZ LYS A 16 11.545 4.124 5.649 1.00 0.00 N ATOM 0 H LYS A 16 13.303 -0.619 3.347 1.00 0.00 H new ATOM 0 HA LYS A 16 15.706 -0.764 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.962 0.390 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.409 0.661 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.456 1.833 4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.042 1.527 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.059 3.145 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.035 3.828 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.845 2.701 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.868 2.042 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.511 4.009 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.861 4.302 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.812 4.929 5.046 1.00 0.00 H new ATOM 226 N TYR A 17 15.240 -2.263 6.768 1.00 0.00 N ATOM 227 CA TYR A 17 15.086 -3.164 7.889 1.00 0.00 C ATOM 228 C TYR A 17 15.757 -2.565 9.087 1.00 0.00 C ATOM 229 O TYR A 17 16.982 -2.504 9.124 1.00 0.00 O ATOM 230 CB TYR A 17 15.743 -4.521 7.647 1.00 0.00 C ATOM 231 CG TYR A 17 14.984 -5.512 6.819 1.00 0.00 C ATOM 232 CD1 TYR A 17 14.073 -6.366 7.412 1.00 0.00 C ATOM 233 CD2 TYR A 17 15.219 -5.640 5.476 1.00 0.00 C ATOM 234 CE1 TYR A 17 13.417 -7.327 6.681 1.00 0.00 C ATOM 235 CE2 TYR A 17 14.564 -6.588 4.726 1.00 0.00 C ATOM 236 CZ TYR A 17 13.664 -7.436 5.337 1.00 0.00 C ATOM 237 OH TYR A 17 13.021 -8.408 4.604 1.00 0.00 O ATOM 0 H TYR A 17 16.191 -1.908 6.665 1.00 0.00 H new ATOM 0 HA TYR A 17 14.016 -3.310 8.034 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.707 -4.349 7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.945 -4.976 8.617 1.00 0.00 H new ATOM 0 HD1 TYR A 17 13.873 -6.276 8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.932 -4.985 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.713 -7.991 7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.753 -6.668 3.666 1.00 0.00 H new ATOM 0 HH TYR A 17 12.853 -8.077 3.697 1.00 0.00 H new ATOM 247 N ARG A 18 14.971 -2.050 10.025 1.00 0.00 N ATOM 248 CA ARG A 18 15.494 -1.551 11.313 1.00 0.00 C ATOM 249 C ARG A 18 16.503 -0.398 11.133 1.00 0.00 C ATOM 250 O ARG A 18 17.346 -0.149 11.999 1.00 0.00 O ATOM 251 CB ARG A 18 16.107 -2.732 12.110 1.00 0.00 C ATOM 252 CG ARG A 18 15.063 -3.768 12.516 1.00 0.00 C ATOM 253 CD ARG A 18 15.456 -5.203 12.148 1.00 0.00 C ATOM 254 NE ARG A 18 16.633 -5.714 12.879 1.00 0.00 N ATOM 255 CZ ARG A 18 16.708 -6.943 13.446 1.00 0.00 C ATOM 256 NH1 ARG A 18 15.619 -7.691 13.573 1.00 0.00 N ATOM 257 NH2 ARG A 18 17.857 -7.381 13.939 1.00 0.00 N ATOM 0 H ARG A 18 13.960 -1.962 9.926 1.00 0.00 H new ATOM 0 HA ARG A 18 14.664 -1.131 11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.876 -3.213 11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 18 16.598 -2.347 13.003 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.901 -3.708 13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.115 -3.525 12.037 1.00 0.00 H new ATOM 0 HD2 ARG A 18 14.609 -5.861 12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.658 -5.249 11.078 1.00 0.00 H new ATOM 0 HE ARG A 18 17.444 -5.101 12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.719 -7.342 13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.682 -8.615 14.000 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.689 -6.793 13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.910 -8.306 14.365 1.00 0.00 H new ATOM 271 N GLY A 19 16.370 0.334 10.035 1.00 0.00 N ATOM 272 CA GLY A 19 17.260 1.449 9.771 1.00 0.00 C ATOM 273 C GLY A 19 18.444 1.065 8.910 1.00 0.00 C ATOM 274 O GLY A 19 19.371 1.860 8.729 1.00 0.00 O ATOM 0 H GLY A 19 15.660 0.175 9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.701 2.245 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.621 1.852 10.717 1.00 0.00 H new ATOM 278 N ALA A 20 18.425 -0.137 8.393 1.00 0.00 N ATOM 279 CA ALA A 20 19.482 -0.632 7.536 1.00 0.00 C ATOM 280 C ALA A 20 18.881 -1.017 6.205 1.00 0.00 C ATOM 281 O ALA A 20 17.658 -1.158 6.101 1.00 0.00 O ATOM 282 CB ALA A 20 20.176 -1.828 8.178 1.00 0.00 C ATOM 0 H ALA A 20 17.673 -0.807 8.553 1.00 0.00 H new ATOM 0 HA ALA A 20 20.232 0.145 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.967 -2.186 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 20 20.607 -1.529 9.133 1.00 0.00 H new ATOM 0 HB3 ALA A 20 19.451 -2.625 8.341 1.00 0.00 H new ATOM 288 N PHE A 21 19.704 -1.185 5.208 1.00 0.00 N ATOM 289 CA PHE A 21 19.228 -1.514 3.880 1.00 0.00 C ATOM 290 C PHE A 21 19.425 -2.992 3.581 1.00 0.00 C ATOM 291 O PHE A 21 20.462 -3.572 3.931 1.00 0.00 O ATOM 292 CB PHE A 21 19.979 -0.705 2.807 1.00 0.00 C ATOM 293 CG PHE A 21 19.857 0.791 2.912 1.00 0.00 C ATOM 294 CD1 PHE A 21 18.754 1.447 2.393 1.00 0.00 C ATOM 295 CD2 PHE A 21 20.861 1.542 3.504 1.00 0.00 C ATOM 296 CE1 PHE A 21 18.653 2.823 2.464 1.00 0.00 C ATOM 297 CE2 PHE A 21 20.763 2.919 3.582 1.00 0.00 C ATOM 298 CZ PHE A 21 19.658 3.560 3.061 1.00 0.00 C ATOM 0 H PHE A 21 20.718 -1.100 5.284 1.00 0.00 H new ATOM 0 HA PHE A 21 18.166 -1.268 3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 21 21.036 -0.969 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 21 19.616 -1.013 1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.964 0.877 1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 21 21.730 1.045 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.788 3.323 2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.550 3.492 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.579 4.635 3.120 1.00 0.00 H new ATOM 308 N CYS A 22 18.423 -3.601 3.009 1.00 0.00 N ATOM 309 CA CYS A 22 18.532 -4.951 2.464 1.00 0.00 C ATOM 310 C CYS A 22 18.159 -4.865 1.005 1.00 0.00 C ATOM 311 O CYS A 22 17.347 -4.027 0.648 1.00 0.00 O ATOM 312 CB CYS A 22 17.584 -5.910 3.187 1.00 0.00 C ATOM 313 SG CYS A 22 17.609 -7.631 2.597 1.00 0.00 S ATOM 0 H CYS A 22 17.498 -3.184 2.901 1.00 0.00 H new ATOM 0 HA CYS A 22 19.545 -5.333 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.830 -5.905 4.249 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.568 -5.527 3.094 1.00 0.00 H new ATOM 0 HG CYS A 22 17.393 -7.654 1.315 1.00 0.00 H new ATOM 319 N GLU A 23 18.750 -5.666 0.154 1.00 0.00 N ATOM 320 CA GLU A 23 18.393 -5.603 -1.243 1.00 0.00 C ATOM 321 C GLU A 23 17.225 -6.520 -1.506 1.00 0.00 C ATOM 322 O GLU A 23 17.029 -7.522 -0.789 1.00 0.00 O ATOM 323 CB GLU A 23 19.561 -5.953 -2.164 1.00 0.00 C ATOM 324 CG GLU A 23 19.971 -7.413 -2.169 1.00 0.00 C ATOM 325 CD GLU A 23 21.152 -7.650 -3.063 1.00 0.00 C ATOM 326 OE1 GLU A 23 22.244 -7.154 -2.761 1.00 0.00 O ATOM 327 OE2 GLU A 23 20.998 -8.294 -4.123 1.00 0.00 O ATOM 0 H GLU A 23 19.464 -6.354 0.394 1.00 0.00 H new ATOM 0 HA GLU A 23 18.116 -4.573 -1.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 19.299 -5.663 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.423 -5.352 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 23 20.213 -7.727 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.133 -8.026 -2.501 1.00 0.00 H new ATOM 334 N ALA A 24 16.446 -6.171 -2.484 1.00 0.00 N ATOM 335 CA ALA A 24 15.307 -6.938 -2.873 1.00 0.00 C ATOM 336 C ALA A 24 15.014 -6.712 -4.335 1.00 0.00 C ATOM 337 O ALA A 24 15.499 -5.753 -4.925 1.00 0.00 O ATOM 338 CB ALA A 24 14.112 -6.568 -2.036 1.00 0.00 C ATOM 0 H ALA A 24 16.588 -5.330 -3.043 1.00 0.00 H new ATOM 0 HA ALA A 24 15.522 -7.995 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.253 -7.162 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.329 -6.764 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.888 -5.510 -2.169 1.00 0.00 H new ATOM 344 N LYS A 25 14.257 -7.576 -4.919 1.00 0.00 N ATOM 345 CA LYS A 25 13.919 -7.466 -6.317 1.00 0.00 C ATOM 346 C LYS A 25 12.391 -7.518 -6.451 1.00 0.00 C ATOM 347 O LYS A 25 11.770 -8.425 -5.947 1.00 0.00 O ATOM 348 CB LYS A 25 14.573 -8.639 -7.053 1.00 0.00 C ATOM 349 CG LYS A 25 14.525 -8.556 -8.576 1.00 0.00 C ATOM 350 CD LYS A 25 14.986 -9.862 -9.231 1.00 0.00 C ATOM 351 CE LYS A 25 16.404 -10.290 -8.821 1.00 0.00 C ATOM 352 NZ LYS A 25 17.450 -9.331 -9.236 1.00 0.00 N ATOM 0 H LYS A 25 13.849 -8.384 -4.450 1.00 0.00 H new ATOM 0 HA LYS A 25 14.276 -6.530 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.615 -8.708 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.085 -9.562 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.508 -8.328 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.158 -7.736 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.286 -10.656 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.949 -9.748 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.440 -10.410 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.622 -11.265 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.377 -9.662 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.463 -9.259 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.246 -8.397 -8.827 1.00 0.00 H new ATOM 366 N ILE A 26 11.805 -6.543 -7.104 1.00 0.00 N ATOM 367 CA ILE A 26 10.344 -6.451 -7.231 1.00 0.00 C ATOM 368 C ILE A 26 9.751 -7.588 -8.076 1.00 0.00 C ATOM 369 O ILE A 26 9.957 -7.659 -9.291 1.00 0.00 O ATOM 370 CB ILE A 26 9.895 -5.079 -7.798 1.00 0.00 C ATOM 371 CG1 ILE A 26 10.512 -3.938 -6.967 1.00 0.00 C ATOM 372 CG2 ILE A 26 8.368 -4.980 -7.775 1.00 0.00 C ATOM 373 CD1 ILE A 26 10.188 -2.551 -7.466 1.00 0.00 C ATOM 0 H ILE A 26 12.312 -5.787 -7.565 1.00 0.00 H new ATOM 0 HA ILE A 26 9.955 -6.551 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 26 10.240 -4.990 -8.828 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.167 -4.029 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.595 -4.061 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.060 -4.014 -8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.942 -5.777 -8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.012 -5.078 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.664 -1.812 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.558 -2.435 -8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.108 -2.403 -7.453 1.00 0.00 H new ATOM 385 N LYS A 27 9.019 -8.448 -7.404 1.00 0.00 N ATOM 386 CA LYS A 27 8.346 -9.593 -7.983 1.00 0.00 C ATOM 387 C LYS A 27 6.961 -9.197 -8.481 1.00 0.00 C ATOM 388 O LYS A 27 6.560 -9.561 -9.581 1.00 0.00 O ATOM 389 CB LYS A 27 8.227 -10.689 -6.912 1.00 0.00 C ATOM 390 CG LYS A 27 7.473 -11.941 -7.312 1.00 0.00 C ATOM 391 CD LYS A 27 8.141 -12.678 -8.453 1.00 0.00 C ATOM 392 CE LYS A 27 7.440 -13.998 -8.707 1.00 0.00 C ATOM 393 NZ LYS A 27 7.624 -14.948 -7.581 1.00 0.00 N ATOM 0 H LYS A 27 8.869 -8.367 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 27 8.921 -9.964 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.232 -10.978 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.738 -10.260 -6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.394 -12.605 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.457 -11.673 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.117 -12.066 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.190 -12.855 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.376 -13.820 -8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.825 -14.443 -9.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.101 -15.806 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.204 -14.502 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.696 -15.202 -7.186 1.00 0.00 H new ATOM 407 N THR A 28 6.243 -8.443 -7.683 1.00 0.00 N ATOM 408 CA THR A 28 4.896 -8.046 -8.037 1.00 0.00 C ATOM 409 C THR A 28 4.668 -6.585 -7.640 1.00 0.00 C ATOM 410 O THR A 28 5.211 -6.121 -6.624 1.00 0.00 O ATOM 411 CB THR A 28 3.863 -8.925 -7.288 1.00 0.00 C ATOM 412 OG1 THR A 28 4.236 -10.317 -7.380 1.00 0.00 O ATOM 413 CG2 THR A 28 2.468 -8.753 -7.882 1.00 0.00 C ATOM 0 H THR A 28 6.567 -8.090 -6.782 1.00 0.00 H new ATOM 0 HA THR A 28 4.771 -8.169 -9.113 1.00 0.00 H new ATOM 0 HB THR A 28 3.851 -8.609 -6.245 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.578 -10.864 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.761 -9.380 -7.339 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.164 -7.709 -7.800 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.481 -9.046 -8.932 1.00 0.00 H new ATOM 421 N VAL A 29 3.890 -5.884 -8.440 1.00 0.00 N ATOM 422 CA VAL A 29 3.525 -4.503 -8.193 1.00 0.00 C ATOM 423 C VAL A 29 2.024 -4.420 -7.999 1.00 0.00 C ATOM 424 O VAL A 29 1.253 -4.904 -8.824 1.00 0.00 O ATOM 425 CB VAL A 29 3.958 -3.553 -9.360 1.00 0.00 C ATOM 426 CG1 VAL A 29 3.434 -2.133 -9.146 1.00 0.00 C ATOM 427 CG2 VAL A 29 5.460 -3.512 -9.460 1.00 0.00 C ATOM 0 H VAL A 29 3.486 -6.265 -9.296 1.00 0.00 H new ATOM 0 HA VAL A 29 4.050 -4.172 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 29 3.532 -3.947 -10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.752 -1.499 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.345 -2.150 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.831 -1.736 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.752 -2.849 -10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.877 -3.142 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.839 -4.515 -9.655 1.00 0.00 H new ATOM 437 N LYS A 30 1.622 -3.839 -6.913 1.00 0.00 N ATOM 438 CA LYS A 30 0.238 -3.680 -6.591 1.00 0.00 C ATOM 439 C LYS A 30 -0.020 -2.268 -6.210 1.00 0.00 C ATOM 440 O LYS A 30 0.529 -1.766 -5.224 1.00 0.00 O ATOM 441 CB LYS A 30 -0.239 -4.635 -5.489 1.00 0.00 C ATOM 442 CG LYS A 30 -0.613 -6.039 -5.963 1.00 0.00 C ATOM 443 CD LYS A 30 -1.158 -6.870 -4.802 1.00 0.00 C ATOM 444 CE LYS A 30 -1.798 -8.181 -5.267 1.00 0.00 C ATOM 445 NZ LYS A 30 -0.861 -9.069 -5.990 1.00 0.00 N ATOM 0 H LYS A 30 2.257 -3.455 -6.213 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.336 -3.938 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.547 -4.719 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.105 -4.192 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.360 -5.975 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.262 -6.530 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.348 -7.092 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.896 -6.283 -4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.193 -8.711 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.644 -7.954 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.347 -9.952 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.528 -8.593 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.048 -9.287 -5.379 1.00 0.00 H new ATOM 459 N ARG A 31 -0.811 -1.629 -6.980 1.00 0.00 N ATOM 460 CA ARG A 31 -1.157 -0.277 -6.770 1.00 0.00 C ATOM 461 C ARG A 31 -2.499 -0.280 -6.089 1.00 0.00 C ATOM 462 O ARG A 31 -3.503 -0.641 -6.700 1.00 0.00 O ATOM 463 CB ARG A 31 -1.255 0.387 -8.127 1.00 0.00 C ATOM 464 CG ARG A 31 -0.992 1.876 -8.177 1.00 0.00 C ATOM 465 CD ARG A 31 -2.129 2.772 -7.644 1.00 0.00 C ATOM 466 NE ARG A 31 -2.138 2.896 -6.181 1.00 0.00 N ATOM 467 CZ ARG A 31 -1.844 4.031 -5.518 1.00 0.00 C ATOM 468 NH1 ARG A 31 -1.732 5.190 -6.165 1.00 0.00 N ATOM 469 NH2 ARG A 31 -1.733 4.014 -4.215 1.00 0.00 N ATOM 0 H ARG A 31 -1.251 -2.044 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.427 0.258 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.551 -0.105 -8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.254 0.205 -8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.089 2.087 -7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.787 2.156 -9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.036 3.765 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.086 2.366 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.382 2.071 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.869 5.226 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.509 6.042 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.869 3.142 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.510 4.872 -3.711 1.00 0.00 H new ATOM 483 N LEU A 32 -2.520 0.063 -4.834 1.00 0.00 N ATOM 484 CA LEU A 32 -3.770 0.074 -4.094 1.00 0.00 C ATOM 485 C LEU A 32 -3.821 1.275 -3.208 1.00 0.00 C ATOM 486 O LEU A 32 -2.799 1.860 -2.918 1.00 0.00 O ATOM 487 CB LEU A 32 -3.970 -1.212 -3.247 1.00 0.00 C ATOM 488 CG LEU A 32 -2.955 -1.511 -2.125 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.498 -2.589 -1.217 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.643 -1.985 -2.697 1.00 0.00 C ATOM 0 H LEU A 32 -1.699 0.338 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.579 0.111 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.961 -1.162 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.973 -2.063 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.792 -0.589 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.777 -2.796 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.436 -2.253 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.674 -3.497 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.945 -2.189 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.805 -2.896 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.229 -1.213 -3.346 1.00 0.00 H new ATOM 502 N VAL A 33 -4.969 1.665 -2.815 1.00 0.00 N ATOM 503 CA VAL A 33 -5.086 2.768 -1.914 1.00 0.00 C ATOM 504 C VAL A 33 -5.885 2.342 -0.706 1.00 0.00 C ATOM 505 O VAL A 33 -6.862 1.612 -0.841 1.00 0.00 O ATOM 506 CB VAL A 33 -5.701 4.028 -2.603 1.00 0.00 C ATOM 507 CG1 VAL A 33 -7.135 3.813 -3.063 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.564 5.272 -1.736 1.00 0.00 C ATOM 0 H VAL A 33 -5.853 1.242 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.087 3.062 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.115 4.195 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.507 4.723 -3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.168 2.994 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.760 3.567 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.004 6.125 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.081 5.114 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.509 5.468 -1.545 1.00 0.00 H new ATOM 518 N LYS A 34 -5.446 2.736 0.464 1.00 0.00 N ATOM 519 CA LYS A 34 -6.156 2.401 1.658 1.00 0.00 C ATOM 520 C LYS A 34 -7.155 3.488 1.951 1.00 0.00 C ATOM 521 O LYS A 34 -6.825 4.561 2.433 1.00 0.00 O ATOM 522 CB LYS A 34 -5.223 2.183 2.847 1.00 0.00 C ATOM 523 CG LYS A 34 -4.228 1.049 2.671 1.00 0.00 C ATOM 524 CD LYS A 34 -3.448 0.815 3.954 1.00 0.00 C ATOM 525 CE LYS A 34 -2.467 -0.346 3.824 1.00 0.00 C ATOM 526 NZ LYS A 34 -1.851 -0.695 5.125 1.00 0.00 N ATOM 0 H LYS A 34 -4.601 3.288 0.608 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.672 1.455 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.673 3.105 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.826 1.986 3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.754 0.137 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.540 1.285 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.903 1.722 4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.143 0.613 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.986 -1.217 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.686 -0.083 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.191 -1.488 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.335 0.128 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.594 -0.970 5.798 1.00 0.00 H new ATOM 540 N VAL A 35 -8.337 3.205 1.618 1.00 0.00 N ATOM 541 CA VAL A 35 -9.444 4.069 1.751 1.00 0.00 C ATOM 542 C VAL A 35 -10.008 3.985 3.165 1.00 0.00 C ATOM 543 O VAL A 35 -10.390 2.907 3.641 1.00 0.00 O ATOM 544 CB VAL A 35 -10.558 3.627 0.779 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.674 4.636 0.733 1.00 0.00 C ATOM 546 CG2 VAL A 35 -10.012 3.351 -0.615 1.00 0.00 C ATOM 0 H VAL A 35 -8.587 2.302 1.215 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.117 5.086 1.534 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.967 2.692 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.443 4.296 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.105 4.747 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.282 5.597 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.827 3.042 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.551 4.256 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.267 2.557 -0.563 1.00 0.00 H new ATOM 556 N LYS A 36 -10.024 5.105 3.832 1.00 0.00 N ATOM 557 CA LYS A 36 -10.651 5.220 5.110 1.00 0.00 C ATOM 558 C LYS A 36 -12.088 5.501 4.844 1.00 0.00 C ATOM 559 O LYS A 36 -12.435 6.585 4.382 1.00 0.00 O ATOM 560 CB LYS A 36 -10.055 6.375 5.931 1.00 0.00 C ATOM 561 CG LYS A 36 -10.726 6.603 7.280 1.00 0.00 C ATOM 562 CD LYS A 36 -10.161 7.830 7.983 1.00 0.00 C ATOM 563 CE LYS A 36 -10.928 8.137 9.260 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.406 9.329 9.963 1.00 0.00 N ATOM 0 H LYS A 36 -9.597 5.969 3.497 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.503 4.305 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.995 6.179 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.122 7.292 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.800 6.726 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.587 5.725 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.110 7.665 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.207 8.689 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.980 8.293 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.878 7.276 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.963 9.495 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.410 9.173 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.478 10.159 9.340 1.00 0.00 H new ATOM 578 N VAL A 37 -12.894 4.556 5.081 1.00 0.00 N ATOM 579 CA VAL A 37 -14.291 4.690 4.860 1.00 0.00 C ATOM 580 C VAL A 37 -15.000 4.661 6.153 1.00 0.00 C ATOM 581 O VAL A 37 -14.464 4.194 7.152 1.00 0.00 O ATOM 582 CB VAL A 37 -14.884 3.616 3.904 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.651 3.995 2.463 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.260 2.256 4.181 1.00 0.00 C ATOM 0 H VAL A 37 -12.611 3.645 5.441 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.436 5.649 4.362 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.958 3.561 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.074 3.230 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -15.130 4.952 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.580 4.078 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.686 1.516 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.182 2.312 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.464 1.965 5.211 1.00 0.00 H new ATOM 594 N LEU A 38 -16.148 5.210 6.152 1.00 0.00 N ATOM 595 CA LEU A 38 -16.970 5.221 7.295 1.00 0.00 C ATOM 596 C LEU A 38 -18.346 4.867 6.816 1.00 0.00 C ATOM 597 O LEU A 38 -18.876 5.512 5.905 1.00 0.00 O ATOM 598 CB LEU A 38 -16.896 6.609 7.963 1.00 0.00 C ATOM 599 CG LEU A 38 -17.457 6.748 9.398 1.00 0.00 C ATOM 600 CD1 LEU A 38 -17.008 8.064 10.001 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.978 6.685 9.423 1.00 0.00 C ATOM 0 H LEU A 38 -16.553 5.675 5.340 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.658 4.506 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.851 6.917 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.426 7.316 7.326 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.071 5.912 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.406 8.156 11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.919 8.095 10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.375 8.888 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.330 6.787 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.386 7.495 8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.309 5.728 9.019 1.00 0.00 H new ATOM 613 N LEU A 39 -18.878 3.814 7.360 1.00 0.00 N ATOM 614 CA LEU A 39 -20.170 3.303 6.960 1.00 0.00 C ATOM 615 C LEU A 39 -21.271 4.260 7.407 1.00 0.00 C ATOM 616 O LEU A 39 -21.331 4.619 8.571 1.00 0.00 O ATOM 617 CB LEU A 39 -20.414 1.922 7.577 1.00 0.00 C ATOM 618 CG LEU A 39 -19.387 0.819 7.299 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.807 -0.483 7.960 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.189 0.610 5.818 1.00 0.00 C ATOM 0 H LEU A 39 -18.430 3.275 8.101 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.184 3.214 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.486 2.047 8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.386 1.569 7.232 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.436 1.140 7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.065 -1.253 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.883 -0.336 9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.775 -0.795 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.454 -0.179 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -20.136 0.323 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.833 1.535 5.364 1.00 0.00 H new ATOM 632 N LYS A 40 -22.160 4.643 6.502 1.00 0.00 N ATOM 633 CA LYS A 40 -23.199 5.616 6.851 1.00 0.00 C ATOM 634 C LYS A 40 -24.231 5.070 7.831 1.00 0.00 C ATOM 635 O LYS A 40 -24.758 5.817 8.655 1.00 0.00 O ATOM 636 CB LYS A 40 -23.896 6.210 5.625 1.00 0.00 C ATOM 637 CG LYS A 40 -24.532 5.202 4.687 1.00 0.00 C ATOM 638 CD LYS A 40 -25.381 5.882 3.621 1.00 0.00 C ATOM 639 CE LYS A 40 -24.603 6.928 2.821 1.00 0.00 C ATOM 640 NZ LYS A 40 -25.441 7.522 1.757 1.00 0.00 N ATOM 0 H LYS A 40 -22.189 4.307 5.539 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.662 6.420 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.667 6.901 5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.169 6.796 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.753 4.609 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.151 4.512 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.773 5.127 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.239 6.359 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.251 7.713 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -23.720 6.467 2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -24.892 8.240 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.743 6.778 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -26.279 7.967 2.183 1.00 0.00 H new ATOM 654 N GLN A 41 -24.512 3.789 7.754 1.00 0.00 N ATOM 655 CA GLN A 41 -25.492 3.186 8.613 1.00 0.00 C ATOM 656 C GLN A 41 -24.900 2.876 9.981 1.00 0.00 C ATOM 657 O GLN A 41 -25.341 3.413 10.998 1.00 0.00 O ATOM 658 CB GLN A 41 -26.057 1.915 7.973 1.00 0.00 C ATOM 659 CG GLN A 41 -26.968 1.134 8.882 1.00 0.00 C ATOM 660 CD GLN A 41 -27.370 -0.209 8.317 1.00 0.00 C ATOM 661 OE1 GLN A 41 -28.375 -0.336 7.619 1.00 0.00 O ATOM 662 NE2 GLN A 41 -26.593 -1.220 8.596 1.00 0.00 N ATOM 0 H GLN A 41 -24.069 3.145 7.099 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.306 3.898 8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -26.604 2.186 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -25.230 1.275 7.665 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.471 0.983 9.840 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.865 1.721 9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -25.766 -1.083 9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -26.812 -2.147 8.232 1.00 0.00 H new ATOM 671 N ASP A 42 -23.880 2.057 10.002 1.00 0.00 N ATOM 672 CA ASP A 42 -23.314 1.575 11.266 1.00 0.00 C ATOM 673 C ASP A 42 -22.296 2.509 11.856 1.00 0.00 C ATOM 674 O ASP A 42 -21.792 2.256 12.939 1.00 0.00 O ATOM 675 CB ASP A 42 -22.738 0.164 11.134 1.00 0.00 C ATOM 676 CG ASP A 42 -23.809 -0.882 10.995 1.00 0.00 C ATOM 677 OD1 ASP A 42 -24.324 -1.362 12.032 1.00 0.00 O ATOM 678 OD2 ASP A 42 -24.165 -1.236 9.856 1.00 0.00 O ATOM 0 H ASP A 42 -23.415 1.702 9.167 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.152 1.540 11.962 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.079 0.123 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.127 -0.059 12.009 1.00 0.00 H new ATOM 683 N ASN A 43 -21.988 3.573 11.127 1.00 0.00 N ATOM 684 CA ASN A 43 -21.046 4.647 11.519 1.00 0.00 C ATOM 685 C ASN A 43 -19.648 4.137 11.862 1.00 0.00 C ATOM 686 O ASN A 43 -18.833 4.857 12.440 1.00 0.00 O ATOM 687 CB ASN A 43 -21.598 5.614 12.616 1.00 0.00 C ATOM 688 CG ASN A 43 -21.673 5.063 14.044 1.00 0.00 C ATOM 689 OD1 ASN A 43 -20.694 5.107 14.801 1.00 0.00 O ATOM 690 ND2 ASN A 43 -22.836 4.640 14.456 1.00 0.00 N ATOM 0 H ASN A 43 -22.397 3.731 10.206 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.946 5.248 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.973 6.507 12.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.599 5.929 12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.955 4.336 15.422 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -23.627 4.614 13.812 1.00 0.00 H new ATOM 697 N THR A 44 -19.340 2.951 11.427 1.00 0.00 N ATOM 698 CA THR A 44 -18.076 2.368 11.700 1.00 0.00 C ATOM 699 C THR A 44 -17.068 2.739 10.647 1.00 0.00 C ATOM 700 O THR A 44 -17.379 2.768 9.451 1.00 0.00 O ATOM 701 CB THR A 44 -18.201 0.855 11.850 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.262 0.373 11.002 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.481 0.493 13.288 1.00 0.00 C ATOM 0 H THR A 44 -19.965 2.366 10.872 1.00 0.00 H new ATOM 0 HA THR A 44 -17.715 2.767 12.648 1.00 0.00 H new ATOM 0 HB THR A 44 -17.262 0.388 11.552 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.238 -0.606 10.973 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.568 -0.590 13.380 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.665 0.847 13.918 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.413 0.960 13.606 1.00 0.00 H new ATOM 711 N THR A 45 -15.890 3.052 11.086 1.00 0.00 N ATOM 712 CA THR A 45 -14.851 3.456 10.202 1.00 0.00 C ATOM 713 C THR A 45 -13.924 2.273 9.988 1.00 0.00 C ATOM 714 O THR A 45 -13.763 1.432 10.884 1.00 0.00 O ATOM 715 CB THR A 45 -14.021 4.592 10.816 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.891 5.590 11.378 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.133 5.253 9.767 1.00 0.00 C ATOM 0 H THR A 45 -15.624 3.034 12.071 1.00 0.00 H new ATOM 0 HA THR A 45 -15.297 3.799 9.269 1.00 0.00 H new ATOM 0 HB THR A 45 -13.392 4.160 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.353 6.310 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.557 6.054 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.452 4.512 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.754 5.666 8.972 1.00 0.00 H new ATOM 725 N GLN A 46 -13.356 2.196 8.838 1.00 0.00 N ATOM 726 CA GLN A 46 -12.381 1.195 8.510 1.00 0.00 C ATOM 727 C GLN A 46 -11.443 1.709 7.446 1.00 0.00 C ATOM 728 O GLN A 46 -11.727 2.714 6.797 1.00 0.00 O ATOM 729 CB GLN A 46 -12.985 -0.188 8.139 1.00 0.00 C ATOM 730 CG GLN A 46 -13.966 -0.255 6.972 1.00 0.00 C ATOM 731 CD GLN A 46 -15.318 0.377 7.262 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.552 1.528 6.984 1.00 0.00 O ATOM 733 NE2 GLN A 46 -16.192 -0.368 7.872 1.00 0.00 N ATOM 0 H GLN A 46 -13.556 2.840 8.073 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.813 1.006 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.159 -0.864 7.919 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.490 -0.579 9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.522 0.241 6.109 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.116 -1.299 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.968 -1.338 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.101 0.017 8.127 1.00 0.00 H new ATOM 742 N LEU A 47 -10.331 1.060 7.290 1.00 0.00 N ATOM 743 CA LEU A 47 -9.332 1.476 6.335 1.00 0.00 C ATOM 744 C LEU A 47 -8.976 0.270 5.497 1.00 0.00 C ATOM 745 O LEU A 47 -8.280 -0.635 5.961 1.00 0.00 O ATOM 746 CB LEU A 47 -8.090 2.004 7.070 1.00 0.00 C ATOM 747 CG LEU A 47 -6.994 2.656 6.214 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.398 4.046 5.725 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.686 2.710 6.967 1.00 0.00 C ATOM 0 H LEU A 47 -10.083 0.224 7.819 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.712 2.278 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.420 2.733 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.643 1.174 7.617 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.860 2.031 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.593 4.469 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.301 3.970 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.588 4.692 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.925 3.176 6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.814 3.295 7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.373 1.698 7.226 1.00 0.00 H new ATOM 761 N VAL A 48 -9.487 0.232 4.306 1.00 0.00 N ATOM 762 CA VAL A 48 -9.317 -0.907 3.419 1.00 0.00 C ATOM 763 C VAL A 48 -8.978 -0.445 2.025 1.00 0.00 C ATOM 764 O VAL A 48 -9.211 0.690 1.674 1.00 0.00 O ATOM 765 CB VAL A 48 -10.569 -1.833 3.368 1.00 0.00 C ATOM 766 CG1 VAL A 48 -10.772 -2.561 4.689 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.813 -1.036 3.006 1.00 0.00 C ATOM 0 H VAL A 48 -10.040 0.990 3.906 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.495 -1.493 3.830 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.397 -2.581 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.653 -3.199 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.897 -3.173 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.912 -1.833 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.676 -1.702 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.979 -0.261 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.677 -0.574 2.028 1.00 0.00 H new ATOM 777 N GLN A 49 -8.469 -1.331 1.247 1.00 0.00 N ATOM 778 CA GLN A 49 -8.001 -1.024 -0.076 1.00 0.00 C ATOM 779 C GLN A 49 -9.139 -0.873 -1.087 1.00 0.00 C ATOM 780 O GLN A 49 -10.245 -1.376 -0.879 1.00 0.00 O ATOM 781 CB GLN A 49 -6.963 -2.050 -0.571 1.00 0.00 C ATOM 782 CG GLN A 49 -7.459 -3.494 -0.781 1.00 0.00 C ATOM 783 CD GLN A 49 -7.593 -4.345 0.490 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.865 -3.859 1.578 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.417 -5.625 0.349 1.00 0.00 N ATOM 0 H GLN A 49 -8.360 -2.311 1.507 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.509 -0.054 -0.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.554 -1.691 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.141 -2.074 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.430 -3.457 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.774 -3.998 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.191 -6.011 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.505 -6.244 1.155 1.00 0.00 H new ATOM 794 N ASP A 50 -8.829 -0.228 -2.208 1.00 0.00 N ATOM 795 CA ASP A 50 -9.784 0.056 -3.310 1.00 0.00 C ATOM 796 C ASP A 50 -10.342 -1.208 -3.982 1.00 0.00 C ATOM 797 O ASP A 50 -11.193 -1.128 -4.850 1.00 0.00 O ATOM 798 CB ASP A 50 -9.136 0.961 -4.368 1.00 0.00 C ATOM 799 CG ASP A 50 -7.912 0.342 -5.004 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.874 0.234 -4.325 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.971 -0.074 -6.189 1.00 0.00 O ATOM 0 H ASP A 50 -7.890 0.125 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.628 0.567 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.868 1.185 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.859 1.909 -3.907 1.00 0.00 H new ATOM 806 N ASP A 51 -9.844 -2.358 -3.613 1.00 0.00 N ATOM 807 CA ASP A 51 -10.388 -3.623 -4.118 1.00 0.00 C ATOM 808 C ASP A 51 -11.620 -3.997 -3.297 1.00 0.00 C ATOM 809 O ASP A 51 -12.565 -4.611 -3.790 1.00 0.00 O ATOM 810 CB ASP A 51 -9.324 -4.726 -4.061 1.00 0.00 C ATOM 811 CG ASP A 51 -9.807 -6.095 -4.527 1.00 0.00 C ATOM 812 OD1 ASP A 51 -10.306 -6.220 -5.663 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.625 -7.086 -3.786 1.00 0.00 O ATOM 0 H ASP A 51 -9.063 -2.461 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.681 -3.508 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.475 -4.426 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.962 -4.812 -3.036 1.00 0.00 H new ATOM 818 N GLN A 52 -11.627 -3.535 -2.057 1.00 0.00 N ATOM 819 CA GLN A 52 -12.721 -3.762 -1.111 1.00 0.00 C ATOM 820 C GLN A 52 -13.770 -2.678 -1.290 1.00 0.00 C ATOM 821 O GLN A 52 -14.935 -2.855 -0.946 1.00 0.00 O ATOM 822 CB GLN A 52 -12.168 -3.685 0.315 1.00 0.00 C ATOM 823 CG GLN A 52 -11.136 -4.744 0.626 1.00 0.00 C ATOM 824 CD GLN A 52 -11.752 -6.089 0.900 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.001 -6.871 -0.002 1.00 0.00 O ATOM 826 NE2 GLN A 52 -11.969 -6.382 2.149 1.00 0.00 N ATOM 0 H GLN A 52 -10.863 -2.982 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.166 -4.741 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.724 -2.702 0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.994 -3.777 1.021 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.444 -4.829 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.551 -4.433 1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.749 -5.703 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.359 -7.290 2.399 1.00 0.00 H new ATOM 835 N VAL A 53 -13.334 -1.575 -1.842 1.00 0.00 N ATOM 836 CA VAL A 53 -14.161 -0.400 -2.037 1.00 0.00 C ATOM 837 C VAL A 53 -14.590 -0.259 -3.478 1.00 0.00 C ATOM 838 O VAL A 53 -13.779 -0.110 -4.374 1.00 0.00 O ATOM 839 CB VAL A 53 -13.426 0.888 -1.582 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.250 2.135 -1.869 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.126 0.802 -0.112 1.00 0.00 C ATOM 0 H VAL A 53 -12.377 -1.461 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.050 -0.533 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.497 0.966 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.703 3.017 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.439 2.208 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.199 2.075 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.610 1.707 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.058 0.700 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.493 -0.064 0.080 1.00 0.00 H new ATOM 851 N LYS A 54 -15.858 -0.326 -3.687 1.00 0.00 N ATOM 852 CA LYS A 54 -16.416 -0.159 -4.995 1.00 0.00 C ATOM 853 C LYS A 54 -17.017 1.221 -5.137 1.00 0.00 C ATOM 854 O LYS A 54 -18.075 1.522 -4.548 1.00 0.00 O ATOM 855 CB LYS A 54 -17.459 -1.234 -5.328 1.00 0.00 C ATOM 856 CG LYS A 54 -16.898 -2.635 -5.554 1.00 0.00 C ATOM 857 CD LYS A 54 -16.417 -3.323 -4.287 1.00 0.00 C ATOM 858 CE LYS A 54 -15.908 -4.727 -4.591 1.00 0.00 C ATOM 859 NZ LYS A 54 -14.727 -4.719 -5.474 1.00 0.00 N ATOM 0 H LYS A 54 -16.547 -0.499 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.601 -0.272 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.185 -1.277 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.000 -0.928 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.667 -3.252 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.068 -2.573 -6.258 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.622 -2.735 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.232 -3.376 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.656 -5.229 -3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.704 -5.306 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.872 -5.392 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.590 -3.764 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.885 -4.996 -4.930 1.00 0.00 H new ATOM 873 N GLY A 55 -16.328 2.064 -5.858 1.00 0.00 N ATOM 874 CA GLY A 55 -16.804 3.391 -6.114 1.00 0.00 C ATOM 875 C GLY A 55 -15.659 4.374 -6.281 1.00 0.00 C ATOM 876 O GLY A 55 -14.492 3.965 -6.221 1.00 0.00 O ATOM 0 H GLY A 55 -15.425 1.849 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.418 3.390 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.444 3.713 -5.293 1.00 0.00 H new ATOM 880 N PRO A 56 -15.959 5.667 -6.515 1.00 0.00 N ATOM 881 CA PRO A 56 -14.940 6.714 -6.696 1.00 0.00 C ATOM 882 C PRO A 56 -14.038 6.898 -5.489 1.00 0.00 C ATOM 883 O PRO A 56 -14.488 6.873 -4.340 1.00 0.00 O ATOM 884 CB PRO A 56 -15.745 8.002 -6.896 1.00 0.00 C ATOM 885 CG PRO A 56 -17.127 7.688 -6.437 1.00 0.00 C ATOM 886 CD PRO A 56 -17.319 6.210 -6.644 1.00 0.00 C ATOM 0 HA PRO A 56 -14.284 6.450 -7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.318 8.824 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.740 8.309 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.257 7.953 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.863 8.258 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.993 5.785 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.747 5.994 -7.623 1.00 0.00 H new ATOM 894 N LEU A 57 -12.786 7.125 -5.749 1.00 0.00 N ATOM 895 CA LEU A 57 -11.851 7.367 -4.699 1.00 0.00 C ATOM 896 C LEU A 57 -11.715 8.854 -4.521 1.00 0.00 C ATOM 897 O LEU A 57 -10.864 9.504 -5.142 1.00 0.00 O ATOM 898 CB LEU A 57 -10.466 6.702 -4.946 1.00 0.00 C ATOM 899 CG LEU A 57 -10.415 5.155 -5.045 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.138 4.493 -3.885 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.930 4.640 -6.382 1.00 0.00 C ATOM 0 H LEU A 57 -12.389 7.147 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.233 6.907 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.058 7.111 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.799 7.008 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.363 4.878 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.080 3.410 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.671 4.792 -2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.183 4.802 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.873 3.552 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.966 4.951 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.321 5.048 -7.188 1.00 0.00 H new ATOM 913 N ARG A 58 -12.628 9.403 -3.774 1.00 0.00 N ATOM 914 CA ARG A 58 -12.633 10.801 -3.467 1.00 0.00 C ATOM 915 C ARG A 58 -13.007 10.951 -2.034 1.00 0.00 C ATOM 916 O ARG A 58 -13.928 10.282 -1.564 1.00 0.00 O ATOM 917 CB ARG A 58 -13.641 11.566 -4.326 1.00 0.00 C ATOM 918 CG ARG A 58 -13.539 13.083 -4.188 1.00 0.00 C ATOM 919 CD ARG A 58 -14.784 13.791 -4.694 1.00 0.00 C ATOM 920 NE ARG A 58 -15.933 13.599 -3.784 1.00 0.00 N ATOM 921 CZ ARG A 58 -17.232 13.671 -4.141 1.00 0.00 C ATOM 922 NH1 ARG A 58 -17.578 13.785 -5.419 1.00 0.00 N ATOM 923 NH2 ARG A 58 -18.182 13.585 -3.217 1.00 0.00 N ATOM 0 H ARG A 58 -13.400 8.884 -3.356 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.644 11.211 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.494 11.295 -5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.649 11.252 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.377 13.341 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.670 13.439 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.579 14.856 -4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.038 13.415 -5.685 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.727 13.395 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.858 13.819 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.563 13.839 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.930 13.464 -2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.164 13.640 -3.488 1.00 0.00 H new ATOM 937 N VAL A 59 -12.311 11.794 -1.335 1.00 0.00 N ATOM 938 CA VAL A 59 -12.633 12.063 0.030 1.00 0.00 C ATOM 939 C VAL A 59 -13.978 12.761 0.064 1.00 0.00 C ATOM 940 O VAL A 59 -14.177 13.782 -0.599 1.00 0.00 O ATOM 941 CB VAL A 59 -11.547 12.921 0.715 1.00 0.00 C ATOM 942 CG1 VAL A 59 -11.886 13.164 2.177 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.204 12.234 0.605 1.00 0.00 C ATOM 0 H VAL A 59 -11.508 12.312 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.680 11.126 0.585 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.504 13.886 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.105 13.771 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -12.840 13.687 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.956 12.209 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.442 12.844 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.253 11.260 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.948 12.102 -0.446 1.00 0.00 H new ATOM 953 N GLY A 60 -14.896 12.181 0.773 1.00 0.00 N ATOM 954 CA GLY A 60 -16.220 12.699 0.828 1.00 0.00 C ATOM 955 C GLY A 60 -17.124 12.088 -0.224 1.00 0.00 C ATOM 956 O GLY A 60 -18.203 12.601 -0.471 1.00 0.00 O ATOM 0 H GLY A 60 -14.746 11.338 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.640 12.512 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.190 13.780 0.694 1.00 0.00 H new ATOM 960 N ALA A 61 -16.691 11.016 -0.876 1.00 0.00 N ATOM 961 CA ALA A 61 -17.548 10.377 -1.872 1.00 0.00 C ATOM 962 C ALA A 61 -18.278 9.199 -1.274 1.00 0.00 C ATOM 963 O ALA A 61 -17.843 8.635 -0.263 1.00 0.00 O ATOM 964 CB ALA A 61 -16.778 9.964 -3.112 1.00 0.00 C ATOM 0 H ALA A 61 -15.779 10.579 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.283 11.118 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.458 9.494 -3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.326 10.844 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.996 9.257 -2.836 1.00 0.00 H new ATOM 970 N ILE A 62 -19.373 8.840 -1.893 1.00 0.00 N ATOM 971 CA ILE A 62 -20.207 7.755 -1.444 1.00 0.00 C ATOM 972 C ILE A 62 -19.853 6.498 -2.238 1.00 0.00 C ATOM 973 O ILE A 62 -19.928 6.489 -3.484 1.00 0.00 O ATOM 974 CB ILE A 62 -21.708 8.084 -1.666 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.083 9.454 -1.054 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.582 6.985 -1.088 1.00 0.00 C ATOM 977 CD1 ILE A 62 -21.883 9.563 0.443 1.00 0.00 C ATOM 0 H ILE A 62 -19.716 9.300 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.036 7.599 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.882 8.142 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.490 10.227 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.128 9.663 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.631 7.231 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.350 6.040 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.393 6.895 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.173 10.559 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.498 8.818 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.834 9.391 0.683 1.00 0.00 H new ATOM 989 N VAL A 63 -19.464 5.467 -1.542 1.00 0.00 N ATOM 990 CA VAL A 63 -19.052 4.214 -2.150 1.00 0.00 C ATOM 991 C VAL A 63 -19.652 3.056 -1.395 1.00 0.00 C ATOM 992 O VAL A 63 -20.452 3.252 -0.507 1.00 0.00 O ATOM 993 CB VAL A 63 -17.513 4.052 -2.123 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.850 5.102 -2.977 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.990 4.123 -0.684 1.00 0.00 C ATOM 0 H VAL A 63 -19.420 5.464 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.397 4.225 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.267 3.073 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.769 4.969 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -17.195 5.005 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.106 6.092 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.906 4.007 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.252 5.088 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.440 3.325 -0.094 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.267 1.866 -1.757 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.670 0.676 -1.057 1.00 0.00 C ATOM 1007 C GLU A 64 -18.440 -0.109 -0.750 1.00 0.00 C ATOM 1008 O GLU A 64 -17.595 -0.297 -1.619 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.626 -0.133 -1.893 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.935 0.573 -2.127 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.778 -0.132 -3.124 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.618 0.131 -4.333 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.623 -0.958 -2.735 1.00 0.00 O ATOM 0 H GLU A 64 -18.657 1.691 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.189 0.937 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.162 -0.357 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.815 -1.087 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.478 0.652 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.742 1.590 -2.470 1.00 0.00 H new ATOM 1020 N THR A 65 -18.316 -0.543 0.447 1.00 0.00 N ATOM 1021 CA THR A 65 -17.123 -1.202 0.867 1.00 0.00 C ATOM 1022 C THR A 65 -17.459 -2.460 1.633 1.00 0.00 C ATOM 1023 O THR A 65 -18.587 -2.614 2.146 1.00 0.00 O ATOM 1024 CB THR A 65 -16.266 -0.244 1.724 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.059 -0.872 2.160 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.059 0.241 2.912 1.00 0.00 C ATOM 0 H THR A 65 -19.032 -0.456 1.168 1.00 0.00 H new ATOM 0 HA THR A 65 -16.545 -1.488 -0.012 1.00 0.00 H new ATOM 0 HB THR A 65 -15.994 0.609 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.871 -0.612 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.445 0.915 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.947 0.770 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.359 -0.611 3.522 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.513 -3.354 1.690 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.696 -4.602 2.360 1.00 0.00 C ATOM 1036 C ARG A 66 -16.426 -4.420 3.843 1.00 0.00 C ATOM 1037 O ARG A 66 -15.304 -4.096 4.253 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.753 -5.674 1.810 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.170 -7.086 2.200 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.089 -8.125 1.917 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.553 -8.084 0.540 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.951 -8.865 -0.479 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -16.032 -9.625 -0.371 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.268 -8.866 -1.617 1.00 0.00 N ATOM 0 H ARG A 66 -15.591 -3.234 1.270 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.723 -4.928 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.719 -5.598 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.743 -5.485 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.417 -7.106 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.076 -7.355 1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.268 -7.979 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.497 -9.118 2.106 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.818 -7.404 0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.573 -9.622 0.494 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.322 -10.213 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.443 -8.275 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.568 -9.458 -2.392 1.00 0.00 H new ATOM 1058 N THR A 67 -17.438 -4.602 4.634 1.00 0.00 N ATOM 1059 CA THR A 67 -17.287 -4.553 6.054 1.00 0.00 C ATOM 1060 C THR A 67 -16.761 -5.919 6.513 1.00 0.00 C ATOM 1061 O THR A 67 -16.811 -6.890 5.737 1.00 0.00 O ATOM 1062 CB THR A 67 -18.628 -4.165 6.763 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.500 -4.206 8.196 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.735 -5.065 6.329 1.00 0.00 C ATOM 0 H THR A 67 -18.389 -4.788 4.314 1.00 0.00 H new ATOM 0 HA THR A 67 -16.576 -3.775 6.332 1.00 0.00 H new ATOM 0 HB THR A 67 -18.864 -3.142 6.470 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.240 -4.724 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.657 -4.777 6.834 1.00 0.00 H new ATOM 0 HG22 THR A 67 -19.871 -4.981 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.488 -6.095 6.585 1.00 0.00 H new ATOM 1072 N SER A 68 -16.302 -6.023 7.753 1.00 0.00 N ATOM 1073 CA SER A 68 -15.721 -7.262 8.286 1.00 0.00 C ATOM 1074 C SER A 68 -16.770 -8.382 8.432 1.00 0.00 C ATOM 1075 O SER A 68 -16.466 -9.517 8.822 1.00 0.00 O ATOM 1076 CB SER A 68 -15.034 -6.949 9.610 1.00 0.00 C ATOM 1077 OG SER A 68 -15.872 -6.135 10.439 1.00 0.00 O ATOM 0 H SER A 68 -16.319 -5.254 8.423 1.00 0.00 H new ATOM 0 HA SER A 68 -14.984 -7.642 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.794 -7.877 10.128 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.091 -6.435 9.423 1.00 0.00 H new ATOM 0 HG SER A 68 -15.413 -5.947 11.284 1.00 0.00 H new ATOM 1083 N ASP A 69 -17.996 -8.040 8.110 1.00 0.00 N ATOM 1084 CA ASP A 69 -19.117 -8.951 8.126 1.00 0.00 C ATOM 1085 C ASP A 69 -19.179 -9.689 6.791 1.00 0.00 C ATOM 1086 O ASP A 69 -19.847 -10.703 6.659 1.00 0.00 O ATOM 1087 CB ASP A 69 -20.427 -8.166 8.327 1.00 0.00 C ATOM 1088 CG ASP A 69 -20.386 -7.249 9.527 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -20.689 -7.687 10.631 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -20.012 -6.059 9.375 1.00 0.00 O ATOM 0 H ASP A 69 -18.248 -7.095 7.822 1.00 0.00 H new ATOM 0 HA ASP A 69 -18.993 -9.662 8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.632 -7.577 7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -21.252 -8.869 8.442 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.478 -9.161 5.796 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.484 -9.757 4.471 1.00 0.00 C ATOM 1097 C GLY A 70 -19.536 -9.126 3.582 1.00 0.00 C ATOM 1098 O GLY A 70 -19.670 -9.465 2.410 1.00 0.00 O ATOM 0 H GLY A 70 -17.901 -8.324 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.502 -9.639 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.671 -10.828 4.554 1.00 0.00 H new ATOM 1102 N SER A 71 -20.281 -8.224 4.150 1.00 0.00 N ATOM 1103 CA SER A 71 -21.326 -7.527 3.454 1.00 0.00 C ATOM 1104 C SER A 71 -20.761 -6.221 2.863 1.00 0.00 C ATOM 1105 O SER A 71 -19.699 -5.745 3.295 1.00 0.00 O ATOM 1106 CB SER A 71 -22.437 -7.216 4.463 1.00 0.00 C ATOM 1107 OG SER A 71 -22.768 -8.377 5.238 1.00 0.00 O ATOM 0 H SER A 71 -20.179 -7.946 5.126 1.00 0.00 H new ATOM 0 HA SER A 71 -21.722 -8.133 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.117 -6.412 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.323 -6.862 3.936 1.00 0.00 H new ATOM 0 HG SER A 71 -23.478 -8.153 5.876 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.428 -5.669 1.885 1.00 0.00 N ATOM 1114 CA PHE A 72 -21.025 -4.403 1.320 1.00 0.00 C ATOM 1115 C PHE A 72 -22.021 -3.341 1.702 1.00 0.00 C ATOM 1116 O PHE A 72 -23.190 -3.401 1.311 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.870 -4.470 -0.207 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.643 -5.199 -0.681 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.642 -6.573 -0.836 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.485 -4.498 -0.973 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.513 -7.232 -1.270 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.352 -5.149 -1.408 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.366 -6.519 -1.558 1.00 0.00 C ATOM 0 H PHE A 72 -22.260 -6.078 1.458 1.00 0.00 H new ATOM 0 HA PHE A 72 -20.045 -4.152 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.750 -4.956 -0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.848 -3.454 -0.602 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.537 -7.136 -0.614 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.470 -3.424 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.525 -8.306 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.456 -4.588 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.481 -7.034 -1.900 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.569 -2.384 2.459 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.413 -1.309 2.916 1.00 0.00 C ATOM 1135 C GLN A 73 -21.962 -0.006 2.288 1.00 0.00 C ATOM 1136 O GLN A 73 -20.766 0.163 1.978 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.423 -1.227 4.465 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.179 -0.015 5.036 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.296 0.003 6.552 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.290 1.074 7.171 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -23.482 -1.134 7.150 1.00 0.00 N ATOM 0 H GLN A 73 -20.603 -2.323 2.780 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.439 -1.504 2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.871 -2.138 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.393 -1.197 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -22.675 0.896 4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.181 0.006 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -23.481 -2.000 6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.629 -1.162 8.159 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.913 0.875 2.062 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.667 2.165 1.506 1.00 0.00 C ATOM 1152 C GLU A 74 -21.933 3.010 2.556 1.00 0.00 C ATOM 1153 O GLU A 74 -22.373 3.142 3.714 1.00 0.00 O ATOM 1154 CB GLU A 74 -24.000 2.784 1.075 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.883 4.052 0.267 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.221 4.527 -0.252 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.629 4.107 -1.334 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.885 5.331 0.420 1.00 0.00 O ATOM 0 H GLU A 74 -23.896 0.699 2.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.035 2.109 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.553 2.048 0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.592 2.992 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.437 4.833 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.209 3.884 -0.573 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.821 3.524 2.169 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.942 4.234 3.058 1.00 0.00 C ATOM 1167 C ALA A 75 -19.407 5.485 2.416 1.00 0.00 C ATOM 1168 O ALA A 75 -19.639 5.729 1.230 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.797 3.337 3.456 1.00 0.00 C ATOM 0 H ALA A 75 -20.480 3.468 1.209 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.511 4.525 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.130 3.875 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.186 2.452 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.246 3.034 2.566 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.692 6.270 3.189 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.110 7.520 2.678 1.00 0.00 C ATOM 1177 C ILE A 76 -16.603 7.504 2.903 1.00 0.00 C ATOM 1178 O ILE A 76 -16.138 7.050 3.956 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.658 8.831 3.375 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.194 8.853 3.547 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.211 10.076 2.600 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.722 8.041 4.720 1.00 0.00 C ATOM 0 H ILE A 76 -18.492 6.079 4.171 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.388 7.556 1.625 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.230 8.833 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.516 9.887 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.652 8.480 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.596 10.969 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.122 10.117 2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.597 10.028 1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.809 8.119 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.437 6.996 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.299 8.425 5.648 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.844 7.990 1.937 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.394 8.096 2.090 1.00 0.00 C ATOM 1196 C ILE A 77 -14.076 9.273 3.000 1.00 0.00 C ATOM 1197 O ILE A 77 -14.529 10.378 2.760 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.610 8.317 0.746 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.771 7.167 -0.244 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.130 8.550 1.004 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.081 7.129 -0.940 1.00 0.00 C ATOM 0 H ILE A 77 -16.201 8.318 1.039 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.071 7.139 2.501 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.052 9.205 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.980 7.234 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.629 6.226 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.614 8.700 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.004 9.434 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.709 7.683 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.106 6.280 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.880 7.027 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.221 8.052 -1.503 1.00 0.00 H new ATOM 1213 N SER A 78 -13.325 9.035 4.026 1.00 0.00 N ATOM 1214 CA SER A 78 -12.911 10.077 4.915 1.00 0.00 C ATOM 1215 C SER A 78 -11.401 10.388 4.738 1.00 0.00 C ATOM 1216 O SER A 78 -10.930 11.447 5.158 1.00 0.00 O ATOM 1217 CB SER A 78 -13.258 9.694 6.351 1.00 0.00 C ATOM 1218 OG SER A 78 -14.659 9.406 6.464 1.00 0.00 O ATOM 0 H SER A 78 -12.979 8.108 4.274 1.00 0.00 H new ATOM 0 HA SER A 78 -13.448 10.994 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.675 8.824 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.991 10.507 7.026 1.00 0.00 H new ATOM 0 HG SER A 78 -14.869 9.160 7.389 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.662 9.462 4.107 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.229 9.627 3.818 1.00 0.00 C ATOM 1226 C LYS A 79 -8.819 8.560 2.827 1.00 0.00 C ATOM 1227 O LYS A 79 -9.445 7.513 2.773 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.347 9.447 5.096 1.00 0.00 C ATOM 1229 CG LYS A 79 -6.856 9.723 4.842 1.00 0.00 C ATOM 1230 CD LYS A 79 -5.975 9.502 6.064 1.00 0.00 C ATOM 1231 CE LYS A 79 -6.228 10.526 7.156 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.263 10.390 8.262 1.00 0.00 N ATOM 0 H LYS A 79 -11.044 8.574 3.782 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.079 10.635 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.707 10.118 5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.464 8.430 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.509 9.079 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.739 10.752 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.153 8.502 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.928 9.545 5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.162 11.530 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.241 10.407 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.466 11.105 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.343 9.440 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.298 10.529 7.900 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.826 8.831 2.029 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.221 7.813 1.215 1.00 0.00 C ATOM 1248 C LEU A 80 -5.740 7.812 1.543 1.00 0.00 C ATOM 1249 O LEU A 80 -5.036 8.802 1.297 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.387 8.065 -0.283 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.798 8.297 -0.824 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -8.722 8.862 -2.223 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -9.544 6.995 -0.863 1.00 0.00 C ATOM 0 H LEU A 80 -7.414 9.758 1.924 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.708 6.862 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.783 8.934 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.963 7.212 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.317 9.000 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.730 9.026 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.183 9.809 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.198 8.159 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.549 7.163 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.019 6.294 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.606 6.581 0.143 1.00 0.00 H new ATOM 1265 N THR A 81 -5.287 6.773 2.136 1.00 0.00 N ATOM 1266 CA THR A 81 -3.911 6.630 2.480 1.00 0.00 C ATOM 1267 C THR A 81 -3.229 5.842 1.375 1.00 0.00 C ATOM 1268 O THR A 81 -3.664 4.736 1.034 1.00 0.00 O ATOM 1269 CB THR A 81 -3.769 5.903 3.838 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.544 6.609 4.827 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.314 5.863 4.289 1.00 0.00 C ATOM 0 H THR A 81 -5.868 5.978 2.404 1.00 0.00 H new ATOM 0 HA THR A 81 -3.443 7.609 2.580 1.00 0.00 H new ATOM 0 HB THR A 81 -4.126 4.879 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.462 6.155 5.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.244 5.346 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.717 5.334 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.939 6.881 4.398 1.00 0.00 H new ATOM 1301 N SER A 84 0.913 0.595 -1.649 1.00 0.00 N ATOM 1302 CA SER A 84 1.400 -0.159 -2.781 1.00 0.00 C ATOM 1303 C SER A 84 2.078 -1.371 -2.219 1.00 0.00 C ATOM 1304 O SER A 84 2.786 -1.250 -1.218 1.00 0.00 O ATOM 1305 CB SER A 84 2.416 0.635 -3.630 1.00 0.00 C ATOM 1306 OG SER A 84 1.861 1.771 -4.266 1.00 0.00 O ATOM 0 HA SER A 84 0.565 -0.404 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.240 0.953 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.837 -0.025 -4.388 1.00 0.00 H new ATOM 0 HG SER A 84 2.403 2.006 -5.048 1.00 0.00 H new ATOM 1312 N TRP A 85 1.830 -2.512 -2.786 1.00 0.00 N ATOM 1313 CA TRP A 85 2.483 -3.709 -2.351 1.00 0.00 C ATOM 1314 C TRP A 85 3.488 -4.137 -3.360 1.00 0.00 C ATOM 1315 O TRP A 85 3.140 -4.559 -4.467 1.00 0.00 O ATOM 1316 CB TRP A 85 1.516 -4.877 -2.056 1.00 0.00 C ATOM 1317 CG TRP A 85 0.658 -4.694 -0.847 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.699 -4.720 -0.794 1.00 0.00 C ATOM 1319 CD2 TRP A 85 1.107 -4.458 0.487 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -1.124 -4.514 0.494 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -0.032 -4.346 1.299 1.00 0.00 C ATOM 1322 CE3 TRP A 85 2.364 -4.331 1.069 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 0.050 -4.110 2.662 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 2.447 -4.097 2.421 1.00 0.00 C ATOM 1325 CH2 TRP A 85 1.297 -3.987 3.203 1.00 0.00 C ATOM 0 H TRP A 85 1.175 -2.640 -3.557 1.00 0.00 H new ATOM 0 HA TRP A 85 2.968 -3.461 -1.407 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.871 -5.023 -2.922 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.099 -5.790 -1.935 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -1.349 -4.880 -1.642 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -2.096 -4.490 0.801 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.258 -4.415 0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.837 -4.027 3.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.417 -3.997 2.885 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.396 -3.800 4.262 1.00 0.00 H new ATOM 1336 N TYR A 86 4.714 -3.972 -3.023 1.00 0.00 N ATOM 1337 CA TYR A 86 5.760 -4.461 -3.822 1.00 0.00 C ATOM 1338 C TYR A 86 6.241 -5.701 -3.191 1.00 0.00 C ATOM 1339 O TYR A 86 6.862 -5.676 -2.131 1.00 0.00 O ATOM 1340 CB TYR A 86 6.885 -3.448 -3.981 1.00 0.00 C ATOM 1341 CG TYR A 86 6.450 -2.236 -4.736 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.914 -1.152 -4.077 1.00 0.00 C ATOM 1343 CD2 TYR A 86 6.539 -2.189 -6.121 1.00 0.00 C ATOM 1344 CE1 TYR A 86 5.475 -0.064 -4.767 1.00 0.00 C ATOM 1345 CE2 TYR A 86 6.110 -1.093 -6.815 1.00 0.00 C ATOM 1346 CZ TYR A 86 5.573 -0.040 -6.128 1.00 0.00 C ATOM 1347 OH TYR A 86 5.119 1.036 -6.803 1.00 0.00 O ATOM 0 H TYR A 86 5.016 -3.489 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 86 5.397 -4.655 -4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.246 -3.151 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.722 -3.916 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.841 -1.165 -3.000 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.953 -3.030 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.051 0.777 -4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.194 -1.059 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 86 4.658 1.640 -6.184 1.00 0.00 H new ATOM 1357 N THR A 87 5.858 -6.785 -3.763 1.00 0.00 N ATOM 1358 CA THR A 87 6.282 -8.041 -3.317 1.00 0.00 C ATOM 1359 C THR A 87 7.686 -8.174 -3.806 1.00 0.00 C ATOM 1360 O THR A 87 7.911 -8.301 -4.992 1.00 0.00 O ATOM 1361 CB THR A 87 5.393 -9.110 -3.933 1.00 0.00 C ATOM 1362 OG1 THR A 87 4.031 -8.681 -3.773 1.00 0.00 O ATOM 1363 CG2 THR A 87 5.583 -10.433 -3.225 1.00 0.00 C ATOM 0 H THR A 87 5.231 -6.813 -4.567 1.00 0.00 H new ATOM 0 HA THR A 87 6.228 -8.150 -2.234 1.00 0.00 H new ATOM 0 HB THR A 87 5.647 -9.245 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.430 -9.350 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.938 -11.185 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.623 -10.746 -3.312 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.324 -10.323 -2.172 1.00 0.00 H new ATOM 1371 N VAL A 88 8.613 -8.017 -2.930 1.00 0.00 N ATOM 1372 CA VAL A 88 9.981 -8.020 -3.319 1.00 0.00 C ATOM 1373 C VAL A 88 10.696 -9.230 -2.782 1.00 0.00 C ATOM 1374 O VAL A 88 10.456 -9.667 -1.654 1.00 0.00 O ATOM 1375 CB VAL A 88 10.709 -6.707 -2.921 1.00 0.00 C ATOM 1376 CG1 VAL A 88 10.167 -5.525 -3.689 1.00 0.00 C ATOM 1377 CG2 VAL A 88 10.579 -6.445 -1.457 1.00 0.00 C ATOM 0 H VAL A 88 8.449 -7.884 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 88 10.003 -8.073 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 88 11.762 -6.837 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.697 -4.621 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.308 -5.689 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.104 -5.410 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.098 -5.520 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.525 -6.352 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.020 -7.271 -0.899 1.00 0.00 H new ATOM 1387 N VAL A 89 11.552 -9.751 -3.599 1.00 0.00 N ATOM 1388 CA VAL A 89 12.299 -10.950 -3.334 1.00 0.00 C ATOM 1389 C VAL A 89 13.644 -10.555 -2.827 1.00 0.00 C ATOM 1390 O VAL A 89 14.408 -9.890 -3.526 1.00 0.00 O ATOM 1391 CB VAL A 89 12.532 -11.776 -4.621 1.00 0.00 C ATOM 1392 CG1 VAL A 89 13.041 -13.175 -4.295 1.00 0.00 C ATOM 1393 CG2 VAL A 89 11.302 -11.811 -5.496 1.00 0.00 C ATOM 0 H VAL A 89 11.763 -9.340 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 89 11.735 -11.548 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 89 13.310 -11.274 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.195 -13.731 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.984 -13.102 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.308 -13.694 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.508 -12.401 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.476 -12.262 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.033 -10.795 -5.786 1.00 0.00 H new ATOM 1403 N PHE A 90 13.933 -10.935 -1.654 1.00 0.00 N ATOM 1404 CA PHE A 90 15.192 -10.636 -1.068 1.00 0.00 C ATOM 1405 C PHE A 90 16.187 -11.676 -1.506 1.00 0.00 C ATOM 1406 O PHE A 90 15.792 -12.713 -2.049 1.00 0.00 O ATOM 1407 CB PHE A 90 15.055 -10.580 0.436 1.00 0.00 C ATOM 1408 CG PHE A 90 14.066 -9.545 0.869 1.00 0.00 C ATOM 1409 CD1 PHE A 90 14.447 -8.232 0.987 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.757 -9.885 1.145 1.00 0.00 C ATOM 1411 CE1 PHE A 90 13.550 -7.268 1.374 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.849 -8.928 1.533 1.00 0.00 C ATOM 1413 CZ PHE A 90 12.248 -7.614 1.647 1.00 0.00 C ATOM 0 H PHE A 90 13.304 -11.470 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 90 15.548 -9.660 -1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 90 14.745 -11.556 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 90 16.026 -10.363 0.881 1.00 0.00 H new ATOM 0 HD1 PHE A 90 15.468 -7.953 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.442 -10.914 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 13.867 -6.239 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.827 -9.205 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.539 -6.858 1.950 1.00 0.00 H new ATOM 1423 N ASP A 91 17.458 -11.435 -1.253 1.00 0.00 N ATOM 1424 CA ASP A 91 18.540 -12.330 -1.718 1.00 0.00 C ATOM 1425 C ASP A 91 18.394 -13.736 -1.119 1.00 0.00 C ATOM 1426 O ASP A 91 18.905 -14.716 -1.663 1.00 0.00 O ATOM 1427 CB ASP A 91 19.913 -11.757 -1.357 1.00 0.00 C ATOM 1428 CG ASP A 91 20.291 -11.990 0.088 1.00 0.00 C ATOM 1429 OD1 ASP A 91 19.705 -11.350 0.980 1.00 0.00 O ATOM 1430 OD2 ASP A 91 21.187 -12.822 0.345 1.00 0.00 O ATOM 0 H ASP A 91 17.785 -10.625 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 91 18.459 -12.403 -2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 91 20.669 -12.207 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 91 19.918 -10.686 -1.560 1.00 0.00 H new ATOM 1435 N ASP A 92 17.670 -13.813 -0.016 1.00 0.00 N ATOM 1436 CA ASP A 92 17.386 -15.066 0.681 1.00 0.00 C ATOM 1437 C ASP A 92 16.420 -15.948 -0.134 1.00 0.00 C ATOM 1438 O ASP A 92 16.323 -17.146 0.085 1.00 0.00 O ATOM 1439 CB ASP A 92 16.790 -14.740 2.060 1.00 0.00 C ATOM 1440 CG ASP A 92 16.441 -15.949 2.891 1.00 0.00 C ATOM 1441 OD1 ASP A 92 17.355 -16.596 3.435 1.00 0.00 O ATOM 1442 OD2 ASP A 92 15.253 -16.248 3.044 1.00 0.00 O ATOM 0 H ASP A 92 17.254 -12.996 0.432 1.00 0.00 H new ATOM 0 HA ASP A 92 18.312 -15.627 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.501 -14.127 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 92 15.892 -14.139 1.921 1.00 0.00 H new ATOM 1447 N GLY A 93 15.742 -15.345 -1.103 1.00 0.00 N ATOM 1448 CA GLY A 93 14.802 -16.085 -1.935 1.00 0.00 C ATOM 1449 C GLY A 93 13.387 -15.917 -1.446 1.00 0.00 C ATOM 1450 O GLY A 93 12.446 -16.477 -2.001 1.00 0.00 O ATOM 0 H GLY A 93 15.824 -14.354 -1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.876 -15.740 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.066 -17.142 -1.933 1.00 0.00 H new ATOM 1454 N ASP A 94 13.246 -15.131 -0.420 1.00 0.00 N ATOM 1455 CA ASP A 94 11.963 -14.879 0.205 1.00 0.00 C ATOM 1456 C ASP A 94 11.396 -13.607 -0.346 1.00 0.00 C ATOM 1457 O ASP A 94 12.127 -12.636 -0.540 1.00 0.00 O ATOM 1458 CB ASP A 94 12.149 -14.735 1.708 1.00 0.00 C ATOM 1459 CG ASP A 94 10.860 -14.565 2.490 1.00 0.00 C ATOM 1460 OD1 ASP A 94 10.399 -13.426 2.673 1.00 0.00 O ATOM 1461 OD2 ASP A 94 10.320 -15.578 2.988 1.00 0.00 O ATOM 0 H ASP A 94 14.023 -14.636 0.019 1.00 0.00 H new ATOM 0 HA ASP A 94 11.286 -15.708 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.672 -15.615 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.792 -13.876 1.901 1.00 0.00 H new ATOM 1466 N GLU A 95 10.137 -13.609 -0.600 1.00 0.00 N ATOM 1467 CA GLU A 95 9.468 -12.454 -1.114 1.00 0.00 C ATOM 1468 C GLU A 95 8.370 -12.019 -0.173 1.00 0.00 C ATOM 1469 O GLU A 95 7.538 -12.828 0.244 1.00 0.00 O ATOM 1470 CB GLU A 95 8.976 -12.675 -2.546 1.00 0.00 C ATOM 1471 CG GLU A 95 8.126 -13.911 -2.756 1.00 0.00 C ATOM 1472 CD GLU A 95 7.627 -14.031 -4.171 1.00 0.00 C ATOM 1473 OE1 GLU A 95 8.435 -14.076 -5.109 1.00 0.00 O ATOM 1474 OE2 GLU A 95 6.408 -14.139 -4.371 1.00 0.00 O ATOM 0 H GLU A 95 9.530 -14.417 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 95 10.185 -11.635 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.400 -11.802 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.842 -12.734 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.709 -14.797 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.275 -13.884 -2.075 1.00 0.00 H new ATOM 1481 N ARG A 96 8.386 -10.759 0.173 1.00 0.00 N ATOM 1482 CA ARG A 96 7.471 -10.209 1.155 1.00 0.00 C ATOM 1483 C ARG A 96 6.871 -8.939 0.560 1.00 0.00 C ATOM 1484 O ARG A 96 7.509 -8.280 -0.271 1.00 0.00 O ATOM 1485 CB ARG A 96 8.297 -9.915 2.444 1.00 0.00 C ATOM 1486 CG ARG A 96 7.546 -9.745 3.786 1.00 0.00 C ATOM 1487 CD ARG A 96 6.816 -8.417 3.944 1.00 0.00 C ATOM 1488 NE ARG A 96 6.309 -8.252 5.317 1.00 0.00 N ATOM 1489 CZ ARG A 96 5.707 -7.161 5.823 1.00 0.00 C ATOM 1490 NH1 ARG A 96 5.390 -6.130 5.048 1.00 0.00 N ATOM 1491 NH2 ARG A 96 5.395 -7.129 7.109 1.00 0.00 N ATOM 0 H ARG A 96 9.036 -10.076 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 96 6.658 -10.889 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.016 -10.725 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.870 -9.005 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.824 -10.555 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.261 -9.851 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.491 -7.596 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.987 -8.368 3.238 1.00 0.00 H new ATOM 0 HE ARG A 96 6.426 -9.045 5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.603 -6.157 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.934 -5.311 5.450 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.611 -7.927 7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.938 -6.306 7.503 1.00 0.00 H new ATOM 1505 N THR A 97 5.657 -8.625 0.933 1.00 0.00 N ATOM 1506 CA THR A 97 4.983 -7.443 0.454 1.00 0.00 C ATOM 1507 C THR A 97 5.448 -6.208 1.205 1.00 0.00 C ATOM 1508 O THR A 97 5.227 -6.088 2.398 1.00 0.00 O ATOM 1509 CB THR A 97 3.466 -7.608 0.631 1.00 0.00 C ATOM 1510 OG1 THR A 97 3.202 -8.281 1.881 1.00 0.00 O ATOM 1511 CG2 THR A 97 2.857 -8.380 -0.517 1.00 0.00 C ATOM 0 H THR A 97 5.104 -9.185 1.582 1.00 0.00 H new ATOM 0 HA THR A 97 5.223 -7.316 -0.602 1.00 0.00 H new ATOM 0 HB THR A 97 3.009 -6.619 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.750 -7.882 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.783 -8.479 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.040 -7.848 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.308 -9.371 -0.569 1.00 0.00 H new ATOM 1519 N LEU A 98 6.122 -5.329 0.538 1.00 0.00 N ATOM 1520 CA LEU A 98 6.558 -4.107 1.158 1.00 0.00 C ATOM 1521 C LEU A 98 5.811 -2.929 0.594 1.00 0.00 C ATOM 1522 O LEU A 98 5.555 -2.851 -0.615 1.00 0.00 O ATOM 1523 CB LEU A 98 8.081 -3.883 1.018 1.00 0.00 C ATOM 1524 CG LEU A 98 9.030 -4.632 1.975 1.00 0.00 C ATOM 1525 CD1 LEU A 98 8.759 -4.270 3.422 1.00 0.00 C ATOM 1526 CD2 LEU A 98 8.978 -6.131 1.789 1.00 0.00 C ATOM 0 H LEU A 98 6.387 -5.429 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 98 6.338 -4.200 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.362 -4.149 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.270 -2.816 1.133 1.00 0.00 H new ATOM 0 HG LEU A 98 10.038 -4.307 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.446 -4.816 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.903 -3.199 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.733 -4.535 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.665 -6.608 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.965 -6.486 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.267 -6.381 0.768 1.00 0.00 H new ATOM 1538 N ARG A 99 5.428 -2.049 1.471 1.00 0.00 N ATOM 1539 CA ARG A 99 4.793 -0.818 1.110 1.00 0.00 C ATOM 1540 C ARG A 99 5.928 0.082 0.589 1.00 0.00 C ATOM 1541 O ARG A 99 7.042 0.013 1.104 1.00 0.00 O ATOM 1542 CB ARG A 99 4.087 -0.242 2.386 1.00 0.00 C ATOM 1543 CG ARG A 99 3.107 0.954 2.226 1.00 0.00 C ATOM 1544 CD ARG A 99 3.798 2.212 1.750 1.00 0.00 C ATOM 1545 NE ARG A 99 2.987 3.424 1.863 1.00 0.00 N ATOM 1546 CZ ARG A 99 2.656 4.239 0.842 1.00 0.00 C ATOM 1547 NH1 ARG A 99 2.737 3.825 -0.427 1.00 0.00 N ATOM 1548 NH2 ARG A 99 2.192 5.451 1.086 1.00 0.00 N ATOM 0 H ARG A 99 5.551 -2.170 2.476 1.00 0.00 H new ATOM 0 HA ARG A 99 4.024 -0.915 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.538 -1.058 2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.866 0.061 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.323 0.684 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.620 1.150 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.715 2.348 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.090 2.080 0.708 1.00 0.00 H new ATOM 0 HE ARG A 99 2.644 3.673 2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.054 2.878 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.482 4.456 -1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.084 5.771 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.942 6.067 0.312 1.00 0.00 H new ATOM 1562 N ARG A 100 5.637 0.891 -0.431 1.00 0.00 N ATOM 1563 CA ARG A 100 6.626 1.775 -1.124 1.00 0.00 C ATOM 1564 C ARG A 100 7.572 2.537 -0.137 1.00 0.00 C ATOM 1565 O ARG A 100 8.729 2.741 -0.445 1.00 0.00 O ATOM 1566 CB ARG A 100 5.861 2.748 -2.070 1.00 0.00 C ATOM 1567 CG ARG A 100 6.673 3.358 -3.238 1.00 0.00 C ATOM 1568 CD ARG A 100 7.697 4.414 -2.824 1.00 0.00 C ATOM 1569 NE ARG A 100 7.076 5.626 -2.274 1.00 0.00 N ATOM 1570 CZ ARG A 100 7.685 6.820 -2.177 1.00 0.00 C ATOM 1571 NH1 ARG A 100 8.955 6.956 -2.552 1.00 0.00 N ATOM 1572 NH2 ARG A 100 7.024 7.866 -1.686 1.00 0.00 N ATOM 0 H ARG A 100 4.697 0.965 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 100 7.290 1.143 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.008 2.215 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.462 3.565 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.192 2.554 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.979 3.805 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.371 3.988 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.304 4.683 -3.688 1.00 0.00 H new ATOM 0 HE ARG A 100 6.114 5.557 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.469 6.153 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.414 7.864 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.056 7.761 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.486 8.772 -1.612 1.00 0.00 H new ATOM 1586 N THR A 101 7.069 2.896 1.040 1.00 0.00 N ATOM 1587 CA THR A 101 7.838 3.589 2.088 1.00 0.00 C ATOM 1588 C THR A 101 9.124 2.813 2.476 1.00 0.00 C ATOM 1589 O THR A 101 10.148 3.410 2.799 1.00 0.00 O ATOM 1590 CB THR A 101 6.957 3.752 3.353 1.00 0.00 C ATOM 1591 OG1 THR A 101 5.700 4.332 2.983 1.00 0.00 O ATOM 1592 CG2 THR A 101 7.620 4.647 4.387 1.00 0.00 C ATOM 0 H THR A 101 6.101 2.714 1.304 1.00 0.00 H new ATOM 0 HA THR A 101 8.131 4.560 1.690 1.00 0.00 H new ATOM 0 HB THR A 101 6.815 2.764 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.140 4.435 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 101 6.972 4.737 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.574 4.212 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.790 5.634 3.958 1.00 0.00 H new ATOM 1600 N SER A 102 9.070 1.494 2.417 1.00 0.00 N ATOM 1601 CA SER A 102 10.193 0.686 2.790 1.00 0.00 C ATOM 1602 C SER A 102 11.192 0.569 1.629 1.00 0.00 C ATOM 1603 O SER A 102 12.361 0.240 1.836 1.00 0.00 O ATOM 1604 CB SER A 102 9.702 -0.692 3.240 1.00 0.00 C ATOM 1605 OG SER A 102 8.756 -0.572 4.311 1.00 0.00 O ATOM 0 H SER A 102 8.251 0.968 2.111 1.00 0.00 H new ATOM 0 HA SER A 102 10.715 1.161 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 102 9.242 -1.211 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.549 -1.297 3.563 1.00 0.00 H new ATOM 0 HG SER A 102 8.706 -1.420 4.800 1.00 0.00 H new ATOM 1611 N LEU A 103 10.746 0.900 0.427 1.00 0.00 N ATOM 1612 CA LEU A 103 11.570 0.771 -0.756 1.00 0.00 C ATOM 1613 C LEU A 103 12.402 1.987 -0.976 1.00 0.00 C ATOM 1614 O LEU A 103 11.908 3.101 -1.040 1.00 0.00 O ATOM 1615 CB LEU A 103 10.759 0.458 -2.015 1.00 0.00 C ATOM 1616 CG LEU A 103 10.457 -1.015 -2.286 1.00 0.00 C ATOM 1617 CD1 LEU A 103 9.629 -1.634 -1.184 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.783 -1.169 -3.627 1.00 0.00 C ATOM 0 H LEU A 103 9.809 1.263 0.249 1.00 0.00 H new ATOM 0 HA LEU A 103 12.226 -0.079 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.812 0.994 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.296 0.859 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 103 11.405 -1.553 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.438 -2.681 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.170 -1.565 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.681 -1.102 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.573 -2.223 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.849 -0.606 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.439 -0.789 -4.410 1.00 0.00 H new ATOM 1630 N CYS A 104 13.651 1.752 -1.155 1.00 0.00 N ATOM 1631 CA CYS A 104 14.615 2.810 -1.295 1.00 0.00 C ATOM 1632 C CYS A 104 15.053 2.955 -2.739 1.00 0.00 C ATOM 1633 O CYS A 104 15.857 3.819 -3.056 1.00 0.00 O ATOM 1634 CB CYS A 104 15.810 2.512 -0.407 1.00 0.00 C ATOM 1635 SG CYS A 104 15.349 2.040 1.276 1.00 0.00 S ATOM 0 H CYS A 104 14.048 0.814 -1.211 1.00 0.00 H new ATOM 0 HA CYS A 104 14.158 3.752 -0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 104 16.396 1.709 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.453 3.391 -0.367 1.00 0.00 H new ATOM 0 HG CYS A 104 16.411 2.013 2.025 1.00 0.00 H new