USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 51:sc= -0.701 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc= -0.0141 (180deg=-0.248) USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= -0.0834 (180deg=-3.18!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00427 K(o=-0.0043,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.26) USER MOD Single : A 32 CYS SG : rot 121:sc= 0.332 USER MOD Single : A 33 SER OG : rot 102:sc= -0.958 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0692 K(o=-0.069,f=-0.58) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.479) USER MOD Single : A 54 ASN : amide:sc= -4.77! C(o=-4.8!,f=-9.5!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.54 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc=-0.000604 (180deg=-0.13) USER MOD Single : A 63 ASN : amide:sc= -4.81! C(o=-4.8!,f=-15!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 85:sc= 1.12 USER MOD Single : A 74 SER OG : rot -170:sc= -0.15 USER MOD Single : A 75 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.211 K(o=0.21,f=-1.2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 30:sc= -1.33 USER MOD Single : A 94 SER OG : rot -167:sc= 0.0264 USER MOD Single : A 97 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 98 ASN : amide:sc= -3.84! C(o=-3.8!,f=-4.6!) USER MOD Single : A 99 SER OG : rot 178:sc= -0.822 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.814 -3.174 3.298 1.00 0.00 N ATOM 67 CA TYR A 8 -13.066 -4.177 4.047 1.00 0.00 C ATOM 68 C TYR A 8 -12.212 -3.525 5.129 1.00 0.00 C ATOM 69 O TYR A 8 -12.240 -3.933 6.289 1.00 0.00 O ATOM 70 CB TYR A 8 -12.180 -4.992 3.104 1.00 0.00 C ATOM 71 CG TYR A 8 -12.938 -6.027 2.303 1.00 0.00 C ATOM 72 CD1 TYR A 8 -13.938 -5.651 1.415 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.653 -7.380 2.433 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.633 -6.592 0.682 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.342 -8.329 1.703 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.332 -7.930 0.829 1.00 0.00 C ATOM 77 OH TYR A 8 -15.021 -8.871 0.099 1.00 0.00 O ATOM 0 HA TYR A 8 -13.782 -4.843 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.674 -4.313 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.406 -5.491 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.176 -4.604 1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.879 -7.696 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.408 -6.282 -0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.107 -9.377 1.816 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.686 -9.765 0.319 1.00 0.00 H new ATOM 87 N GLY A 9 -11.452 -2.505 4.740 1.00 0.00 N ATOM 88 CA GLY A 9 -10.600 -1.811 5.687 1.00 0.00 C ATOM 89 C GLY A 9 -9.151 -1.773 5.244 1.00 0.00 C ATOM 90 O GLY A 9 -8.702 -2.637 4.491 1.00 0.00 O ATOM 0 H GLY A 9 -11.412 -2.147 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.963 -0.792 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.667 -2.301 6.658 1.00 0.00 H new ATOM 94 N SER A 10 -8.417 -0.768 5.711 1.00 0.00 N ATOM 95 CA SER A 10 -7.011 -0.617 5.354 1.00 0.00 C ATOM 96 C SER A 10 -6.113 -1.278 6.395 1.00 0.00 C ATOM 97 O SER A 10 -4.898 -1.082 6.395 1.00 0.00 O ATOM 98 CB SER A 10 -6.653 0.864 5.220 1.00 0.00 C ATOM 99 OG SER A 10 -7.345 1.461 4.138 1.00 0.00 O ATOM 0 H SER A 10 -8.773 -0.046 6.338 1.00 0.00 H new ATOM 0 HA SER A 10 -6.850 -1.110 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.899 1.386 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.578 0.969 5.071 1.00 0.00 H new ATOM 0 HG SER A 10 -8.301 1.259 4.210 1.00 0.00 H new ATOM 105 N GLU A 11 -6.720 -2.062 7.280 1.00 0.00 N ATOM 106 CA GLU A 11 -5.976 -2.751 8.327 1.00 0.00 C ATOM 107 C GLU A 11 -6.251 -4.252 8.293 1.00 0.00 C ATOM 108 O GLU A 11 -7.396 -4.688 8.411 1.00 0.00 O ATOM 109 CB GLU A 11 -6.342 -2.186 9.701 1.00 0.00 C ATOM 110 CG GLU A 11 -6.111 -0.689 9.824 1.00 0.00 C ATOM 111 CD GLU A 11 -6.803 -0.090 11.033 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.471 -0.495 12.167 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.676 0.783 10.846 1.00 0.00 O ATOM 0 H GLU A 11 -7.725 -2.236 7.293 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.913 -2.589 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.391 -2.401 9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.756 -2.699 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.040 -0.494 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.471 -0.194 8.922 1.00 0.00 H new ATOM 120 N LYS A 12 -5.192 -5.038 8.129 1.00 0.00 N ATOM 121 CA LYS A 12 -5.316 -6.490 8.079 1.00 0.00 C ATOM 122 C LYS A 12 -4.009 -7.162 8.486 1.00 0.00 C ATOM 123 O LYS A 12 -2.988 -7.015 7.815 1.00 0.00 O ATOM 124 CB LYS A 12 -5.718 -6.940 6.673 1.00 0.00 C ATOM 125 CG LYS A 12 -5.772 -8.449 6.509 1.00 0.00 C ATOM 126 CD LYS A 12 -6.059 -8.844 5.071 1.00 0.00 C ATOM 127 CE LYS A 12 -6.450 -10.310 4.962 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.804 -10.566 5.525 1.00 0.00 N ATOM 0 H LYS A 12 -4.237 -4.693 8.028 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.092 -6.788 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.695 -6.522 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.010 -6.530 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.824 -8.884 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.543 -8.859 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.862 -8.222 4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.178 -8.655 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.428 -10.615 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.717 -10.922 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.146 -11.492 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.754 -10.562 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.458 -9.823 5.207 1.00 0.00 H new ATOM 142 N LYS A 13 -4.048 -7.902 9.589 1.00 0.00 N ATOM 143 CA LYS A 13 -2.868 -8.601 10.084 1.00 0.00 C ATOM 144 C LYS A 13 -3.088 -10.110 10.083 1.00 0.00 C ATOM 145 O LYS A 13 -3.981 -10.618 10.760 1.00 0.00 O ATOM 146 CB LYS A 13 -2.525 -8.126 11.498 1.00 0.00 C ATOM 147 CG LYS A 13 -1.956 -6.719 11.546 1.00 0.00 C ATOM 148 CD LYS A 13 -3.053 -5.678 11.699 1.00 0.00 C ATOM 149 CE LYS A 13 -2.478 -4.274 11.801 1.00 0.00 C ATOM 150 NZ LYS A 13 -3.547 -3.245 11.931 1.00 0.00 N ATOM 0 H LYS A 13 -4.885 -8.033 10.157 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.036 -8.373 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.424 -8.167 12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.805 -8.815 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.257 -6.637 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.392 -6.523 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.731 -5.734 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.642 -5.897 12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.812 -4.216 12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.876 -4.063 10.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.445 -2.541 11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.479 -3.701 11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.465 -2.774 12.854 1.00 0.00 H new ATOM 164 N GLY A 14 -2.267 -10.823 9.317 1.00 0.00 N ATOM 165 CA GLY A 14 -2.388 -12.267 9.244 1.00 0.00 C ATOM 166 C GLY A 14 -1.145 -12.925 8.677 1.00 0.00 C ATOM 167 O GLY A 14 -0.025 -12.588 9.063 1.00 0.00 O ATOM 0 H GLY A 14 -1.521 -10.426 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.583 -12.663 10.241 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.247 -12.526 8.625 1.00 0.00 H new ATOM 171 N TYR A 15 -1.341 -13.867 7.761 1.00 0.00 N ATOM 172 CA TYR A 15 -0.228 -14.576 7.144 1.00 0.00 C ATOM 173 C TYR A 15 -0.444 -14.727 5.641 1.00 0.00 C ATOM 174 O TYR A 15 -1.577 -14.706 5.159 1.00 0.00 O ATOM 175 CB TYR A 15 -0.054 -15.954 7.786 1.00 0.00 C ATOM 176 CG TYR A 15 0.793 -15.936 9.038 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.276 -15.478 10.244 1.00 0.00 C ATOM 178 CD2 TYR A 15 2.111 -16.375 9.015 1.00 0.00 C ATOM 179 CE1 TYR A 15 1.047 -15.459 11.390 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.889 -16.361 10.157 1.00 0.00 C ATOM 181 CZ TYR A 15 2.352 -15.902 11.342 1.00 0.00 C ATOM 182 OH TYR A 15 3.124 -15.885 12.481 1.00 0.00 O ATOM 0 H TYR A 15 -2.261 -14.157 7.430 1.00 0.00 H new ATOM 0 HA TYR A 15 0.677 -13.990 7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.036 -16.359 8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.400 -16.629 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.746 -15.131 10.286 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.535 -16.733 8.089 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.630 -15.099 12.319 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.911 -16.707 10.122 1.00 0.00 H new ATOM 0 HH TYR A 15 4.018 -16.231 12.276 1.00 0.00 H new ATOM 192 N LEU A 16 0.652 -14.881 4.905 1.00 0.00 N ATOM 193 CA LEU A 16 0.584 -15.036 3.456 1.00 0.00 C ATOM 194 C LEU A 16 1.769 -15.846 2.940 1.00 0.00 C ATOM 195 O LEU A 16 2.816 -15.917 3.586 1.00 0.00 O ATOM 196 CB LEU A 16 0.554 -13.666 2.777 1.00 0.00 C ATOM 197 CG LEU A 16 -0.827 -13.032 2.606 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.699 -11.601 2.107 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.677 -13.857 1.652 1.00 0.00 C ATOM 0 H LEU A 16 1.597 -14.902 5.288 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.333 -15.573 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.176 -12.983 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.013 -13.760 1.793 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.321 -13.013 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.692 -11.166 1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.127 -11.015 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.186 -11.596 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.656 -13.391 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.188 -13.907 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.797 -14.865 2.050 1.00 0.00 H new ATOM 211 N LEU A 17 1.599 -16.455 1.771 1.00 0.00 N ATOM 212 CA LEU A 17 2.655 -17.258 1.166 1.00 0.00 C ATOM 213 C LEU A 17 3.543 -16.403 0.268 1.00 0.00 C ATOM 214 O LEU A 17 3.053 -15.604 -0.529 1.00 0.00 O ATOM 215 CB LEU A 17 2.049 -18.407 0.358 1.00 0.00 C ATOM 216 CG LEU A 17 1.124 -19.353 1.126 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.437 -20.318 0.172 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.902 -20.114 2.189 1.00 0.00 C ATOM 0 H LEU A 17 0.740 -16.408 1.224 1.00 0.00 H new ATOM 0 HA LEU A 17 3.269 -17.669 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.490 -17.983 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.863 -18.994 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 17 0.358 -18.758 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.217 -20.983 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.154 -19.756 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.189 -20.907 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.228 -20.782 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.690 -20.698 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.346 -19.408 2.890 1.00 0.00 H new ATOM 230 N LYS A 18 4.854 -16.579 0.401 1.00 0.00 N ATOM 231 CA LYS A 18 5.812 -15.826 -0.400 1.00 0.00 C ATOM 232 C LYS A 18 6.842 -16.757 -1.032 1.00 0.00 C ATOM 233 O LYS A 18 7.290 -17.719 -0.407 1.00 0.00 O ATOM 234 CB LYS A 18 6.517 -14.778 0.463 1.00 0.00 C ATOM 235 CG LYS A 18 7.423 -13.849 -0.328 1.00 0.00 C ATOM 236 CD LYS A 18 8.437 -13.162 0.571 1.00 0.00 C ATOM 237 CE LYS A 18 8.879 -11.826 -0.007 1.00 0.00 C ATOM 238 NZ LYS A 18 9.900 -11.161 0.849 1.00 0.00 N ATOM 0 H LYS A 18 5.277 -17.237 1.056 1.00 0.00 H new ATOM 0 HA LYS A 18 5.266 -15.322 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.766 -14.183 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.107 -15.285 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.944 -14.417 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.820 -13.098 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.003 -13.007 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.305 -13.808 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.287 -11.980 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.013 -11.172 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.175 -10.254 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.502 -10.991 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.737 -11.773 0.930 1.00 0.00 H new ATOM 252 N LYS A 19 7.216 -16.464 -2.272 1.00 0.00 N ATOM 253 CA LYS A 19 8.196 -17.272 -2.988 1.00 0.00 C ATOM 254 C LYS A 19 9.616 -16.898 -2.575 1.00 0.00 C ATOM 255 O LYS A 19 10.094 -15.805 -2.880 1.00 0.00 O ATOM 256 CB LYS A 19 8.030 -17.093 -4.499 1.00 0.00 C ATOM 257 CG LYS A 19 8.718 -18.171 -5.318 1.00 0.00 C ATOM 258 CD LYS A 19 8.284 -18.127 -6.774 1.00 0.00 C ATOM 259 CE LYS A 19 6.915 -18.760 -6.968 1.00 0.00 C ATOM 260 NZ LYS A 19 6.252 -18.280 -8.212 1.00 0.00 N ATOM 0 H LYS A 19 6.855 -15.672 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 19 8.025 -18.317 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.967 -17.087 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.428 -16.120 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.799 -18.043 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.488 -19.150 -4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.259 -17.092 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.017 -18.648 -7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.019 -19.844 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.284 -18.531 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.322 -18.735 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.129 -17.248 -8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.841 -18.521 -9.034 1.00 0.00 H new ATOM 385 N TRP A 27 7.215 -21.978 -2.162 1.00 0.00 N ATOM 386 CA TRP A 27 6.273 -21.120 -1.452 1.00 0.00 C ATOM 387 C TRP A 27 6.307 -21.396 0.047 1.00 0.00 C ATOM 388 O TRP A 27 5.951 -22.486 0.494 1.00 0.00 O ATOM 389 CB TRP A 27 4.856 -21.330 -1.990 1.00 0.00 C ATOM 390 CG TRP A 27 4.651 -20.761 -3.361 1.00 0.00 C ATOM 391 CD1 TRP A 27 4.807 -21.414 -4.551 1.00 0.00 C ATOM 392 CD2 TRP A 27 4.254 -19.424 -3.685 1.00 0.00 C ATOM 393 NE1 TRP A 27 4.531 -20.564 -5.594 1.00 0.00 N ATOM 394 CE2 TRP A 27 4.188 -19.337 -5.089 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.945 -18.293 -2.924 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.828 -18.163 -5.746 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.588 -17.129 -3.578 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.531 -17.071 -4.977 1.00 0.00 C ATOM 0 HA TRP A 27 6.568 -20.084 -1.618 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.638 -22.398 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.143 -20.872 -1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.104 -22.447 -4.656 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.574 -20.807 -6.584 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.984 -18.328 -1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.785 -18.116 -6.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.349 -16.248 -3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.247 -16.146 -5.458 1.00 0.00 H new ATOM 409 N GLN A 28 6.738 -20.402 0.817 1.00 0.00 N ATOM 410 CA GLN A 28 6.818 -20.540 2.267 1.00 0.00 C ATOM 411 C GLN A 28 5.863 -19.574 2.960 1.00 0.00 C ATOM 412 O GLN A 28 5.586 -18.488 2.450 1.00 0.00 O ATOM 413 CB GLN A 28 8.250 -20.292 2.745 1.00 0.00 C ATOM 414 CG GLN A 28 9.243 -21.335 2.259 1.00 0.00 C ATOM 415 CD GLN A 28 10.472 -21.427 3.143 1.00 0.00 C ATOM 416 OE1 GLN A 28 10.770 -20.510 3.909 1.00 0.00 O ATOM 417 NE2 GLN A 28 11.193 -22.537 3.041 1.00 0.00 N ATOM 0 H GLN A 28 7.037 -19.494 0.462 1.00 0.00 H new ATOM 0 HA GLN A 28 6.527 -21.558 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.573 -19.308 2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.262 -20.271 3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.753 -22.308 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.549 -21.093 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.909 -23.272 2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.031 -22.655 3.611 1.00 0.00 H new ATOM 426 N ARG A 29 5.363 -19.977 4.123 1.00 0.00 N ATOM 427 CA ARG A 29 4.437 -19.147 4.885 1.00 0.00 C ATOM 428 C ARG A 29 5.194 -18.165 5.775 1.00 0.00 C ATOM 429 O ARG A 29 6.188 -18.523 6.406 1.00 0.00 O ATOM 430 CB ARG A 29 3.519 -20.023 5.739 1.00 0.00 C ATOM 431 CG ARG A 29 3.108 -19.376 7.052 1.00 0.00 C ATOM 432 CD ARG A 29 2.388 -20.362 7.958 1.00 0.00 C ATOM 433 NE ARG A 29 3.002 -21.687 7.922 1.00 0.00 N ATOM 434 CZ ARG A 29 2.349 -22.808 8.208 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.068 -22.764 8.547 1.00 0.00 N ATOM 436 NH2 ARG A 29 2.977 -23.975 8.153 1.00 0.00 N ATOM 0 H ARG A 29 5.583 -20.873 4.558 1.00 0.00 H new ATOM 0 HA ARG A 29 3.832 -18.578 4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.623 -20.263 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.024 -20.966 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.991 -18.991 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.459 -18.524 6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.396 -19.986 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.344 -20.438 7.654 1.00 0.00 H new ATOM 0 HE ARG A 29 3.986 -21.755 7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.582 -21.868 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.569 -23.626 8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.962 -24.012 7.891 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.475 -24.835 8.373 1.00 0.00 H new ATOM 450 N ARG A 30 4.716 -16.926 5.820 1.00 0.00 N ATOM 451 CA ARG A 30 5.347 -15.892 6.630 1.00 0.00 C ATOM 452 C ARG A 30 4.299 -14.989 7.274 1.00 0.00 C ATOM 453 O ARG A 30 3.154 -14.930 6.824 1.00 0.00 O ATOM 454 CB ARG A 30 6.301 -15.056 5.776 1.00 0.00 C ATOM 455 CG ARG A 30 5.594 -14.175 4.759 1.00 0.00 C ATOM 456 CD ARG A 30 5.025 -12.922 5.407 1.00 0.00 C ATOM 457 NE ARG A 30 4.991 -11.794 4.480 1.00 0.00 N ATOM 458 CZ ARG A 30 4.224 -11.755 3.397 1.00 0.00 C ATOM 459 NH1 ARG A 30 3.431 -12.777 3.105 1.00 0.00 N ATOM 460 NH2 ARG A 30 4.249 -10.692 2.602 1.00 0.00 N ATOM 0 H ARG A 30 3.893 -16.614 5.304 1.00 0.00 H new ATOM 0 HA ARG A 30 5.914 -16.382 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.905 -14.428 6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.986 -15.723 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.293 -13.893 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.790 -14.738 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.017 -13.126 5.767 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.627 -12.658 6.277 1.00 0.00 H new ATOM 0 HE ARG A 30 5.590 -10.992 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.409 -13.596 3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.843 -12.744 2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.858 -9.904 2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.659 -10.663 1.770 1.00 0.00 H new ATOM 474 N LYS A 31 4.697 -14.287 8.329 1.00 0.00 N ATOM 475 CA LYS A 31 3.794 -13.386 9.035 1.00 0.00 C ATOM 476 C LYS A 31 3.800 -12.000 8.397 1.00 0.00 C ATOM 477 O LYS A 31 4.812 -11.298 8.425 1.00 0.00 O ATOM 478 CB LYS A 31 4.192 -13.283 10.509 1.00 0.00 C ATOM 479 CG LYS A 31 3.055 -12.847 11.417 1.00 0.00 C ATOM 480 CD LYS A 31 2.948 -11.333 11.487 1.00 0.00 C ATOM 481 CE LYS A 31 2.094 -10.889 12.665 1.00 0.00 C ATOM 482 NZ LYS A 31 2.051 -9.406 12.791 1.00 0.00 N ATOM 0 H LYS A 31 5.641 -14.325 8.715 1.00 0.00 H new ATOM 0 HA LYS A 31 2.786 -13.794 8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.563 -14.251 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.015 -12.575 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.116 -13.263 11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.213 -13.248 12.418 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.945 -10.900 11.575 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.517 -10.954 10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.081 -11.273 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.491 -11.320 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.748 -9.148 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.997 -9.015 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.378 -9.018 12.100 1.00 0.00 H new ATOM 496 N CYS A 32 2.666 -11.612 7.825 1.00 0.00 N ATOM 497 CA CYS A 32 2.540 -10.309 7.182 1.00 0.00 C ATOM 498 C CYS A 32 1.681 -9.369 8.020 1.00 0.00 C ATOM 499 O CYS A 32 0.935 -9.808 8.895 1.00 0.00 O ATOM 500 CB CYS A 32 1.935 -10.463 5.785 1.00 0.00 C ATOM 501 SG CYS A 32 0.377 -11.379 5.753 1.00 0.00 S ATOM 0 H CYS A 32 1.820 -12.181 7.793 1.00 0.00 H new ATOM 0 HA CYS A 32 3.537 -9.878 7.093 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.771 -9.473 5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.655 -10.970 5.143 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.560 -10.625 5.259 1.00 0.00 H new ATOM 507 N SER A 33 1.793 -8.073 7.748 1.00 0.00 N ATOM 508 CA SER A 33 1.031 -7.069 8.482 1.00 0.00 C ATOM 509 C SER A 33 0.901 -5.784 7.669 1.00 0.00 C ATOM 510 O SER A 33 1.875 -5.301 7.092 1.00 0.00 O ATOM 511 CB SER A 33 1.699 -6.771 9.825 1.00 0.00 C ATOM 512 OG SER A 33 3.048 -6.374 9.647 1.00 0.00 O ATOM 0 H SER A 33 2.404 -7.693 7.025 1.00 0.00 H new ATOM 0 HA SER A 33 0.032 -7.467 8.662 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.150 -5.983 10.341 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.658 -7.656 10.460 1.00 0.00 H new ATOM 0 HG SER A 33 3.117 -5.400 9.733 1.00 0.00 H new ATOM 518 N VAL A 34 -0.309 -5.236 7.629 1.00 0.00 N ATOM 519 CA VAL A 34 -0.567 -4.007 6.889 1.00 0.00 C ATOM 520 C VAL A 34 -1.226 -2.958 7.778 1.00 0.00 C ATOM 521 O VAL A 34 -2.250 -3.218 8.410 1.00 0.00 O ATOM 522 CB VAL A 34 -1.467 -4.267 5.666 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.172 -2.988 5.241 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.653 -4.843 4.518 1.00 0.00 C ATOM 0 H VAL A 34 -1.126 -5.624 8.100 1.00 0.00 H new ATOM 0 HA VAL A 34 0.399 -3.634 6.547 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.227 -4.997 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.803 -3.191 4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.788 -2.622 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.430 -2.233 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.305 -5.020 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.130 -4.138 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.199 -5.784 4.830 1.00 0.00 H new ATOM 534 N LYS A 35 -0.633 -1.770 7.822 1.00 0.00 N ATOM 535 CA LYS A 35 -1.162 -0.679 8.631 1.00 0.00 C ATOM 536 C LYS A 35 -0.518 0.648 8.244 1.00 0.00 C ATOM 537 O LYS A 35 0.681 0.713 7.979 1.00 0.00 O ATOM 538 CB LYS A 35 -0.925 -0.958 10.117 1.00 0.00 C ATOM 539 CG LYS A 35 -1.309 0.199 11.023 1.00 0.00 C ATOM 540 CD LYS A 35 -1.508 -0.258 12.458 1.00 0.00 C ATOM 541 CE LYS A 35 -1.824 0.913 13.377 1.00 0.00 C ATOM 542 NZ LYS A 35 -2.551 0.476 14.601 1.00 0.00 N ATOM 0 H LYS A 35 0.216 -1.538 7.306 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.234 -0.610 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.495 -1.840 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.128 -1.194 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.532 0.963 10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.226 0.660 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.319 -0.985 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.608 -0.764 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.897 1.411 13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.426 1.645 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.748 1.302 15.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.447 0.024 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.966 -0.203 15.128 1.00 0.00 H new ATOM 556 N ASN A 36 -1.324 1.705 8.214 1.00 0.00 N ATOM 557 CA ASN A 36 -0.832 3.031 7.860 1.00 0.00 C ATOM 558 C ASN A 36 -0.202 3.025 6.470 1.00 0.00 C ATOM 559 O ASN A 36 0.676 3.832 6.171 1.00 0.00 O ATOM 560 CB ASN A 36 0.190 3.512 8.892 1.00 0.00 C ATOM 561 CG ASN A 36 -0.449 3.843 10.227 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.531 4.429 10.282 1.00 0.00 O ATOM 563 ND2 ASN A 36 0.219 3.470 11.312 1.00 0.00 N ATOM 0 H ASN A 36 -2.320 1.669 8.431 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.681 3.715 7.853 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.947 2.741 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.702 4.395 8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.161 3.667 12.238 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.112 2.987 11.220 1.00 0.00 H new ATOM 570 N GLY A 37 -0.658 2.106 5.624 1.00 0.00 N ATOM 571 CA GLY A 37 -0.129 2.011 4.276 1.00 0.00 C ATOM 572 C GLY A 37 1.272 1.435 4.242 1.00 0.00 C ATOM 573 O GLY A 37 2.097 1.838 3.421 1.00 0.00 O ATOM 0 H GLY A 37 -1.384 1.426 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.789 1.388 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.122 3.002 3.821 1.00 0.00 H new ATOM 577 N ILE A 38 1.543 0.490 5.136 1.00 0.00 N ATOM 578 CA ILE A 38 2.855 -0.142 5.205 1.00 0.00 C ATOM 579 C ILE A 38 2.729 -1.650 5.396 1.00 0.00 C ATOM 580 O ILE A 38 1.991 -2.117 6.264 1.00 0.00 O ATOM 581 CB ILE A 38 3.701 0.441 6.353 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.848 1.955 6.189 1.00 0.00 C ATOM 583 CG2 ILE A 38 5.066 -0.228 6.397 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.631 2.356 4.958 1.00 0.00 C ATOM 0 H ILE A 38 0.872 0.145 5.822 1.00 0.00 H new ATOM 0 HA ILE A 38 3.354 0.061 4.257 1.00 0.00 H new ATOM 0 HB ILE A 38 3.192 0.245 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.856 2.405 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.341 2.362 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.652 0.194 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.941 -1.299 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.584 -0.060 5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.695 3.443 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.635 1.935 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.127 1.979 4.068 1.00 0.00 H new ATOM 596 N LEU A 39 3.456 -2.406 4.581 1.00 0.00 N ATOM 597 CA LEU A 39 3.428 -3.862 4.661 1.00 0.00 C ATOM 598 C LEU A 39 4.738 -4.402 5.226 1.00 0.00 C ATOM 599 O LEU A 39 5.729 -4.536 4.508 1.00 0.00 O ATOM 600 CB LEU A 39 3.171 -4.464 3.278 1.00 0.00 C ATOM 601 CG LEU A 39 3.367 -5.975 3.156 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.292 -6.718 3.935 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.358 -6.398 1.694 1.00 0.00 C ATOM 0 H LEU A 39 4.072 -2.035 3.857 1.00 0.00 H new ATOM 0 HA LEU A 39 2.618 -4.148 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.149 -4.226 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.831 -3.973 2.562 1.00 0.00 H new ATOM 0 HG LEU A 39 4.337 -6.231 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.448 -7.792 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.346 -6.439 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.310 -6.456 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.499 -7.477 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.403 -6.128 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.166 -5.893 1.164 1.00 0.00 H new ATOM 615 N THR A 40 4.735 -4.712 6.519 1.00 0.00 N ATOM 616 CA THR A 40 5.922 -5.238 7.182 1.00 0.00 C ATOM 617 C THR A 40 6.082 -6.731 6.919 1.00 0.00 C ATOM 618 O THR A 40 5.101 -7.475 6.894 1.00 0.00 O ATOM 619 CB THR A 40 5.869 -4.999 8.702 1.00 0.00 C ATOM 620 OG1 THR A 40 5.535 -3.633 8.972 1.00 0.00 O ATOM 621 CG2 THR A 40 7.203 -5.338 9.350 1.00 0.00 C ATOM 0 H THR A 40 3.923 -4.608 7.128 1.00 0.00 H new ATOM 0 HA THR A 40 6.778 -4.705 6.768 1.00 0.00 H new ATOM 0 HB THR A 40 5.103 -5.650 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.502 -3.490 9.941 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.141 -5.161 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.440 -6.386 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.985 -4.710 8.923 1.00 0.00 H new ATOM 629 N ILE A 41 7.323 -7.163 6.724 1.00 0.00 N ATOM 630 CA ILE A 41 7.611 -8.568 6.465 1.00 0.00 C ATOM 631 C ILE A 41 8.545 -9.143 7.525 1.00 0.00 C ATOM 632 O ILE A 41 9.738 -8.840 7.546 1.00 0.00 O ATOM 633 CB ILE A 41 8.245 -8.766 5.076 1.00 0.00 C ATOM 634 CG1 ILE A 41 7.318 -8.225 3.986 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.549 -10.238 4.837 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.983 -8.104 2.632 1.00 0.00 C ATOM 0 H ILE A 41 8.145 -6.560 6.740 1.00 0.00 H new ATOM 0 HA ILE A 41 6.658 -9.096 6.499 1.00 0.00 H new ATOM 0 HB ILE A 41 9.182 -8.210 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.452 -8.881 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.947 -7.246 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.997 -10.362 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.243 -10.594 5.598 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.625 -10.814 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.267 -7.714 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.833 -7.425 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.329 -9.085 2.308 1.00 0.00 H new ATOM 648 N SER A 42 7.994 -9.976 8.402 1.00 0.00 N ATOM 649 CA SER A 42 8.778 -10.592 9.467 1.00 0.00 C ATOM 650 C SER A 42 9.902 -11.446 8.889 1.00 0.00 C ATOM 651 O SER A 42 9.766 -12.026 7.811 1.00 0.00 O ATOM 652 CB SER A 42 7.878 -11.449 10.360 1.00 0.00 C ATOM 653 OG SER A 42 7.644 -12.720 9.778 1.00 0.00 O ATOM 0 H SER A 42 7.009 -10.240 8.396 1.00 0.00 H new ATOM 0 HA SER A 42 9.221 -9.797 10.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.343 -11.573 11.338 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.928 -10.939 10.521 1.00 0.00 H new ATOM 0 HG SER A 42 7.068 -13.249 10.368 1.00 0.00 H new ATOM 767 N PRO A 50 12.738 -6.167 9.633 1.00 0.00 N ATOM 768 CA PRO A 50 11.851 -6.668 8.579 1.00 0.00 C ATOM 769 C PRO A 50 11.805 -5.740 7.371 1.00 0.00 C ATOM 770 O PRO A 50 12.209 -4.580 7.451 1.00 0.00 O ATOM 771 CB PRO A 50 10.483 -6.723 9.264 1.00 0.00 C ATOM 772 CG PRO A 50 10.564 -5.710 10.354 1.00 0.00 C ATOM 773 CD PRO A 50 11.993 -5.719 10.822 1.00 0.00 C ATOM 0 HA PRO A 50 12.186 -7.628 8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.680 -6.489 8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.279 -7.717 9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.278 -4.723 9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.885 -5.959 11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.315 -4.730 11.149 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.136 -6.396 11.664 1.00 0.00 H new ATOM 781 N ALA A 51 11.310 -6.258 6.251 1.00 0.00 N ATOM 782 CA ALA A 51 11.209 -5.474 5.026 1.00 0.00 C ATOM 783 C ALA A 51 9.866 -4.757 4.943 1.00 0.00 C ATOM 784 O ALA A 51 8.835 -5.375 4.676 1.00 0.00 O ATOM 785 CB ALA A 51 11.410 -6.367 3.811 1.00 0.00 C ATOM 0 H ALA A 51 10.973 -7.217 6.167 1.00 0.00 H new ATOM 0 HA ALA A 51 11.994 -4.718 5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.332 -5.769 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.396 -6.829 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.646 -7.144 3.800 1.00 0.00 H new ATOM 791 N LYS A 52 9.884 -3.448 5.173 1.00 0.00 N ATOM 792 CA LYS A 52 8.668 -2.645 5.124 1.00 0.00 C ATOM 793 C LYS A 52 8.438 -2.092 3.721 1.00 0.00 C ATOM 794 O LYS A 52 9.304 -1.421 3.158 1.00 0.00 O ATOM 795 CB LYS A 52 8.750 -1.495 6.130 1.00 0.00 C ATOM 796 CG LYS A 52 8.472 -1.919 7.562 1.00 0.00 C ATOM 797 CD LYS A 52 7.998 -0.749 8.408 1.00 0.00 C ATOM 798 CE LYS A 52 9.166 -0.019 9.053 1.00 0.00 C ATOM 799 NZ LYS A 52 9.829 0.916 8.102 1.00 0.00 N ATOM 0 H LYS A 52 10.728 -2.921 5.395 1.00 0.00 H new ATOM 0 HA LYS A 52 7.827 -3.288 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.743 -1.048 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.037 -0.722 5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.716 -2.704 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.376 -2.342 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.432 -0.055 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.320 -1.109 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.812 0.537 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.894 -0.746 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.347 1.644 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.494 0.387 7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.110 1.371 7.504 1.00 0.00 H new ATOM 813 N LEU A 53 7.267 -2.375 3.162 1.00 0.00 N ATOM 814 CA LEU A 53 6.923 -1.904 1.825 1.00 0.00 C ATOM 815 C LEU A 53 5.951 -0.731 1.895 1.00 0.00 C ATOM 816 O LEU A 53 4.950 -0.783 2.608 1.00 0.00 O ATOM 817 CB LEU A 53 6.310 -3.041 1.005 1.00 0.00 C ATOM 818 CG LEU A 53 7.299 -4.020 0.371 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.619 -5.346 0.071 1.00 0.00 C ATOM 820 CD2 LEU A 53 7.898 -3.427 -0.896 1.00 0.00 C ATOM 0 H LEU A 53 6.539 -2.929 3.614 1.00 0.00 H new ATOM 0 HA LEU A 53 7.838 -1.565 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.635 -3.604 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.703 -2.604 0.212 1.00 0.00 H new ATOM 0 HG LEU A 53 8.106 -4.202 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.338 -6.030 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.239 -5.778 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.792 -5.183 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.599 -4.137 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.102 -3.216 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.422 -2.503 -0.653 1.00 0.00 H new ATOM 832 N ASN A 54 6.253 0.326 1.148 1.00 0.00 N ATOM 833 CA ASN A 54 5.404 1.512 1.123 1.00 0.00 C ATOM 834 C ASN A 54 4.181 1.288 0.240 1.00 0.00 C ATOM 835 O ASN A 54 4.257 1.399 -0.985 1.00 0.00 O ATOM 836 CB ASN A 54 6.197 2.721 0.620 1.00 0.00 C ATOM 837 CG ASN A 54 5.479 4.031 0.880 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.228 4.808 -0.042 1.00 0.00 O ATOM 839 ND2 ASN A 54 5.145 4.283 2.140 1.00 0.00 N ATOM 0 H ASN A 54 7.079 0.386 0.552 1.00 0.00 H new ATOM 0 HA ASN A 54 5.064 1.706 2.140 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.172 2.741 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.377 2.615 -0.450 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.660 5.149 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.373 3.611 2.872 1.00 0.00 H new ATOM 846 N LEU A 55 3.054 0.973 0.868 1.00 0.00 N ATOM 847 CA LEU A 55 1.813 0.734 0.139 1.00 0.00 C ATOM 848 C LEU A 55 1.304 2.019 -0.506 1.00 0.00 C ATOM 849 O LEU A 55 0.310 2.010 -1.233 1.00 0.00 O ATOM 850 CB LEU A 55 0.748 0.165 1.079 1.00 0.00 C ATOM 851 CG LEU A 55 0.761 -1.352 1.267 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.133 -1.822 1.724 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.309 -1.775 2.264 1.00 0.00 C ATOM 0 H LEU A 55 2.974 0.877 1.880 1.00 0.00 H new ATOM 0 HA LEU A 55 2.017 0.010 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.867 0.633 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.233 0.456 0.703 1.00 0.00 H new ATOM 0 HG LEU A 55 0.541 -1.819 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.123 -2.904 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.878 -1.553 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.383 -1.346 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.285 -2.858 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.120 -1.298 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.289 -1.473 1.896 1.00 0.00 H new ATOM 865 N LEU A 56 1.993 3.123 -0.237 1.00 0.00 N ATOM 866 CA LEU A 56 1.612 4.416 -0.793 1.00 0.00 C ATOM 867 C LEU A 56 2.096 4.554 -2.233 1.00 0.00 C ATOM 868 O LEU A 56 1.576 5.365 -3.000 1.00 0.00 O ATOM 869 CB LEU A 56 2.186 5.549 0.060 1.00 0.00 C ATOM 870 CG LEU A 56 2.168 5.325 1.573 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.594 6.589 2.304 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.786 4.882 2.030 1.00 0.00 C ATOM 0 H LEU A 56 2.818 3.148 0.362 1.00 0.00 H new ATOM 0 HA LEU A 56 0.524 4.480 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.217 5.723 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.629 6.460 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 56 2.879 4.534 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.575 6.411 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.604 6.863 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.908 7.400 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.792 4.727 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.056 5.651 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.519 3.950 1.531 1.00 0.00 H new ATOM 884 N THR A 57 3.094 3.754 -2.595 1.00 0.00 N ATOM 885 CA THR A 57 3.648 3.785 -3.943 1.00 0.00 C ATOM 886 C THR A 57 3.618 2.402 -4.582 1.00 0.00 C ATOM 887 O THR A 57 3.557 2.274 -5.806 1.00 0.00 O ATOM 888 CB THR A 57 5.098 4.307 -3.943 1.00 0.00 C ATOM 889 OG1 THR A 57 5.680 4.134 -5.240 1.00 0.00 O ATOM 890 CG2 THR A 57 5.935 3.576 -2.904 1.00 0.00 C ATOM 0 H THR A 57 3.535 3.076 -1.973 1.00 0.00 H new ATOM 0 HA THR A 57 3.025 4.464 -4.525 1.00 0.00 H new ATOM 0 HB THR A 57 5.080 5.367 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.601 4.469 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.955 3.961 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.505 3.733 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.946 2.510 -3.130 1.00 0.00 H new ATOM 898 N CYS A 58 3.660 1.369 -3.748 1.00 0.00 N ATOM 899 CA CYS A 58 3.637 -0.007 -4.232 1.00 0.00 C ATOM 900 C CYS A 58 2.631 -0.167 -5.368 1.00 0.00 C ATOM 901 O CYS A 58 1.759 0.680 -5.560 1.00 0.00 O ATOM 902 CB CYS A 58 3.294 -0.966 -3.091 1.00 0.00 C ATOM 903 SG CYS A 58 1.521 -1.237 -2.863 1.00 0.00 S ATOM 0 H CYS A 58 3.710 1.458 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 58 4.629 -0.249 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.776 -1.925 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.713 -0.575 -2.164 1.00 0.00 H new ATOM 0 HG CYS A 58 1.332 -2.063 -1.877 1.00 0.00 H new ATOM 909 N GLN A 59 2.761 -1.257 -6.117 1.00 0.00 N ATOM 910 CA GLN A 59 1.864 -1.526 -7.235 1.00 0.00 C ATOM 911 C GLN A 59 1.234 -2.909 -7.106 1.00 0.00 C ATOM 912 O GLN A 59 1.882 -3.924 -7.361 1.00 0.00 O ATOM 913 CB GLN A 59 2.620 -1.418 -8.560 1.00 0.00 C ATOM 914 CG GLN A 59 1.750 -0.966 -9.721 1.00 0.00 C ATOM 915 CD GLN A 59 2.557 -0.366 -10.856 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.037 0.764 -10.761 1.00 0.00 O ATOM 917 NE2 GLN A 59 2.712 -1.121 -11.937 1.00 0.00 N ATOM 0 H GLN A 59 3.478 -1.968 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 59 1.068 -0.781 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.446 -0.717 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.057 -2.388 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.180 -1.816 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.029 -0.231 -9.365 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.297 -2.052 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.246 -0.770 -12.732 1.00 0.00 H new ATOM 926 N VAL A 60 -0.034 -2.942 -6.710 1.00 0.00 N ATOM 927 CA VAL A 60 -0.753 -4.200 -6.548 1.00 0.00 C ATOM 928 C VAL A 60 -1.332 -4.677 -7.875 1.00 0.00 C ATOM 929 O VAL A 60 -2.397 -4.226 -8.299 1.00 0.00 O ATOM 930 CB VAL A 60 -1.893 -4.068 -5.521 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.706 -5.352 -5.457 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.336 -3.711 -4.151 1.00 0.00 C ATOM 0 H VAL A 60 -0.585 -2.111 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.031 -4.932 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.555 -3.263 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.507 -5.240 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.136 -5.560 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.059 -6.178 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.155 -3.622 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.651 -4.493 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.802 -2.763 -4.211 1.00 0.00 H new ATOM 942 N LYS A 61 -0.624 -5.592 -8.529 1.00 0.00 N ATOM 943 CA LYS A 61 -1.067 -6.133 -9.808 1.00 0.00 C ATOM 944 C LYS A 61 -1.617 -7.546 -9.641 1.00 0.00 C ATOM 945 O LYS A 61 -0.878 -8.530 -9.651 1.00 0.00 O ATOM 946 CB LYS A 61 0.089 -6.139 -10.811 1.00 0.00 C ATOM 947 CG LYS A 61 0.214 -4.850 -11.604 1.00 0.00 C ATOM 948 CD LYS A 61 0.796 -5.099 -12.985 1.00 0.00 C ATOM 949 CE LYS A 61 -0.284 -5.479 -13.985 1.00 0.00 C ATOM 950 NZ LYS A 61 -1.129 -4.312 -14.360 1.00 0.00 N ATOM 0 H LYS A 61 0.260 -5.975 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.865 -5.494 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.022 -6.318 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.046 -6.970 -11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.767 -4.384 -11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.848 -4.148 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.314 -4.204 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.539 -5.895 -12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.180 -5.894 -14.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.913 -6.261 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.664 -4.534 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.792 -4.101 -13.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.522 -3.485 -14.532 1.00 0.00 H new ATOM 964 N PRO A 62 -2.945 -7.651 -9.485 1.00 0.00 N ATOM 965 CA PRO A 62 -3.623 -8.939 -9.314 1.00 0.00 C ATOM 966 C PRO A 62 -3.608 -9.775 -10.590 1.00 0.00 C ATOM 967 O PRO A 62 -4.034 -9.316 -11.649 1.00 0.00 O ATOM 968 CB PRO A 62 -5.056 -8.541 -8.952 1.00 0.00 C ATOM 969 CG PRO A 62 -5.233 -7.185 -9.544 1.00 0.00 C ATOM 970 CD PRO A 62 -3.887 -6.519 -9.463 1.00 0.00 C ATOM 0 HA PRO A 62 -3.136 -9.559 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.778 -9.248 -9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.201 -8.524 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.574 -7.252 -10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.984 -6.615 -8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.722 -5.843 -10.302 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.785 -5.929 -8.552 1.00 0.00 H new ATOM 978 N ASN A 63 -3.115 -11.004 -10.481 1.00 0.00 N ATOM 979 CA ASN A 63 -3.044 -11.904 -11.626 1.00 0.00 C ATOM 980 C ASN A 63 -4.422 -12.096 -12.253 1.00 0.00 C ATOM 981 O ASN A 63 -5.424 -11.599 -11.738 1.00 0.00 O ATOM 982 CB ASN A 63 -2.472 -13.259 -11.203 1.00 0.00 C ATOM 983 CG ASN A 63 -3.547 -14.219 -10.731 1.00 0.00 C ATOM 984 OD1 ASN A 63 -3.555 -15.392 -11.106 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.461 -13.724 -9.905 1.00 0.00 N ATOM 0 H ASN A 63 -2.759 -11.400 -9.611 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.385 -11.455 -12.369 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.936 -13.702 -12.043 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.746 -13.110 -10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.209 -14.322 -9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.415 -12.745 -9.621 1.00 0.00 H new ATOM 992 N ALA A 64 -4.464 -12.820 -13.366 1.00 0.00 N ATOM 993 CA ALA A 64 -5.719 -13.080 -14.061 1.00 0.00 C ATOM 994 C ALA A 64 -6.021 -14.574 -14.110 1.00 0.00 C ATOM 995 O ALA A 64 -7.081 -15.016 -13.669 1.00 0.00 O ATOM 996 CB ALA A 64 -5.671 -12.503 -15.469 1.00 0.00 C ATOM 0 H ALA A 64 -3.644 -13.237 -13.806 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.521 -12.592 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.614 -12.704 -15.977 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.510 -11.426 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.854 -12.965 -16.024 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.082 -15.345 -14.649 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.250 -16.790 -14.756 1.00 0.00 C ATOM 1004 C GLU A 65 -5.857 -17.363 -13.479 1.00 0.00 C ATOM 1005 O GLU A 65 -6.891 -18.031 -13.516 1.00 0.00 O ATOM 1006 CB GLU A 65 -3.905 -17.462 -15.041 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.393 -17.226 -16.452 1.00 0.00 C ATOM 1008 CD GLU A 65 -3.945 -18.228 -17.448 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -5.084 -18.029 -17.918 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -3.238 -19.209 -17.756 1.00 0.00 O ATOM 0 H GLU A 65 -4.198 -14.994 -15.018 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.931 -16.991 -15.583 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.166 -17.093 -14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.002 -18.535 -14.873 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.663 -16.218 -16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.304 -17.280 -16.453 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.208 -17.097 -12.351 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.683 -17.586 -11.062 1.00 0.00 C ATOM 1019 C ASP A 66 -6.418 -16.486 -10.302 1.00 0.00 C ATOM 1020 O ASP A 66 -6.445 -15.332 -10.730 1.00 0.00 O ATOM 1021 CB ASP A 66 -4.512 -18.105 -10.226 1.00 0.00 C ATOM 1022 CG ASP A 66 -4.970 -18.901 -9.020 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -5.948 -19.667 -9.150 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -4.350 -18.758 -7.945 1.00 0.00 O ATOM 0 H ASP A 66 -4.351 -16.545 -12.303 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.379 -18.405 -11.245 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.873 -18.731 -10.850 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.906 -17.263 -9.893 1.00 0.00 H new ATOM 1029 N LYS A 67 -7.015 -16.852 -9.173 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.751 -15.898 -8.352 1.00 0.00 C ATOM 1031 C LYS A 67 -6.985 -15.577 -7.072 1.00 0.00 C ATOM 1032 O LYS A 67 -6.913 -14.421 -6.653 1.00 0.00 O ATOM 1033 CB LYS A 67 -9.134 -16.453 -8.005 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.193 -15.379 -7.828 1.00 0.00 C ATOM 1035 CD LYS A 67 -11.568 -15.878 -8.239 1.00 0.00 C ATOM 1036 CE LYS A 67 -12.607 -14.770 -8.171 1.00 0.00 C ATOM 1037 NZ LYS A 67 -13.832 -15.109 -8.947 1.00 0.00 N ATOM 0 H LYS A 67 -7.004 -17.803 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.868 -14.978 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.450 -17.137 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.062 -17.036 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.217 -15.059 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.929 -14.505 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.524 -16.275 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.868 -16.699 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.875 -14.587 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.177 -13.845 -8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.515 -14.328 -8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.580 -15.258 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.257 -15.977 -8.563 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.413 -16.606 -6.456 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.650 -16.433 -5.226 1.00 0.00 C ATOM 1053 C LYS A 68 -4.177 -16.179 -5.531 1.00 0.00 C ATOM 1054 O LYS A 68 -3.295 -16.809 -4.948 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.791 -17.671 -4.336 1.00 0.00 C ATOM 1056 CG LYS A 68 -7.175 -17.832 -3.734 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.516 -19.294 -3.501 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.918 -19.985 -4.795 1.00 0.00 C ATOM 1059 NZ LYS A 68 -8.568 -21.301 -4.543 1.00 0.00 N ATOM 0 H LYS A 68 -6.464 -17.569 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.049 -15.566 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.553 -18.559 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.058 -17.615 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.227 -17.291 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.916 -17.386 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.657 -19.804 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.330 -19.369 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.601 -19.344 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.036 -20.129 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.827 -21.740 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.908 -21.922 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.424 -21.161 -3.969 1.00 0.00 H new ATOM 1073 N SER A 69 -3.918 -15.250 -6.446 1.00 0.00 N ATOM 1074 CA SER A 69 -2.552 -14.914 -6.829 1.00 0.00 C ATOM 1075 C SER A 69 -2.427 -13.427 -7.146 1.00 0.00 C ATOM 1076 O SER A 69 -3.292 -12.845 -7.801 1.00 0.00 O ATOM 1077 CB SER A 69 -2.121 -15.743 -8.041 1.00 0.00 C ATOM 1078 OG SER A 69 -2.165 -17.129 -7.752 1.00 0.00 O ATOM 0 H SER A 69 -4.636 -14.717 -6.936 1.00 0.00 H new ATOM 0 HA SER A 69 -1.898 -15.145 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.773 -15.524 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.110 -15.462 -8.337 1.00 0.00 H new ATOM 0 HG SER A 69 -3.073 -17.466 -7.904 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.344 -12.817 -6.676 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.105 -11.397 -6.907 1.00 0.00 C ATOM 1086 C PHE A 70 0.379 -11.067 -6.773 1.00 0.00 C ATOM 1087 O PHE A 70 1.074 -11.618 -5.919 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.918 -10.554 -5.923 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.328 -10.511 -4.542 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.416 -11.609 -3.702 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -0.687 -9.371 -4.084 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -0.875 -11.573 -2.431 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.143 -9.329 -2.814 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.238 -10.431 -1.986 1.00 0.00 C ATOM 0 H PHE A 70 -0.618 -13.284 -6.133 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.421 -11.161 -7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.998 -9.537 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.931 -10.953 -5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.914 -12.504 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.612 -8.506 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.950 -12.436 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.356 -8.435 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.185 -10.400 -0.993 1.00 0.00 H new ATOM 1104 N ASP A 71 0.857 -10.164 -7.622 1.00 0.00 N ATOM 1105 CA ASP A 71 2.258 -9.759 -7.599 1.00 0.00 C ATOM 1106 C ASP A 71 2.403 -8.335 -7.072 1.00 0.00 C ATOM 1107 O ASP A 71 1.751 -7.411 -7.560 1.00 0.00 O ATOM 1108 CB ASP A 71 2.863 -9.861 -9.000 1.00 0.00 C ATOM 1109 CG ASP A 71 3.411 -11.244 -9.294 1.00 0.00 C ATOM 1110 OD1 ASP A 71 4.065 -11.825 -8.403 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.187 -11.745 -10.417 1.00 0.00 O ATOM 0 H ASP A 71 0.295 -9.698 -8.335 1.00 0.00 H new ATOM 0 HA ASP A 71 2.794 -10.432 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.103 -9.609 -9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.663 -9.127 -9.102 1.00 0.00 H new ATOM 1116 N LEU A 72 3.261 -8.165 -6.072 1.00 0.00 N ATOM 1117 CA LEU A 72 3.491 -6.854 -5.476 1.00 0.00 C ATOM 1118 C LEU A 72 4.803 -6.253 -5.972 1.00 0.00 C ATOM 1119 O LEU A 72 5.884 -6.661 -5.545 1.00 0.00 O ATOM 1120 CB LEU A 72 3.510 -6.961 -3.950 1.00 0.00 C ATOM 1121 CG LEU A 72 3.363 -5.646 -3.183 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.030 -4.988 -3.503 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.497 -5.884 -1.686 1.00 0.00 C ATOM 0 H LEU A 72 3.809 -8.919 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 72 2.675 -6.197 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.706 -7.630 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.447 -7.430 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 72 4.161 -4.973 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.943 -4.054 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.973 -4.782 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.217 -5.656 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.390 -4.938 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.721 -6.574 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.477 -6.311 -1.472 1.00 0.00 H new ATOM 1135 N ILE A 73 4.700 -5.282 -6.872 1.00 0.00 N ATOM 1136 CA ILE A 73 5.879 -4.623 -7.423 1.00 0.00 C ATOM 1137 C ILE A 73 6.339 -3.480 -6.525 1.00 0.00 C ATOM 1138 O ILE A 73 5.559 -2.588 -6.189 1.00 0.00 O ATOM 1139 CB ILE A 73 5.608 -4.075 -8.836 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.250 -5.217 -9.790 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.819 -3.310 -9.348 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.392 -4.783 -10.957 1.00 0.00 C ATOM 0 H ILE A 73 3.813 -4.934 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 73 6.665 -5.376 -7.479 1.00 0.00 H new ATOM 0 HB ILE A 73 4.763 -3.389 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.169 -5.663 -10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.726 -5.994 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.612 -2.929 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.033 -2.477 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.681 -3.976 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.178 -5.643 -11.591 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.457 -4.364 -10.585 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.922 -4.028 -11.537 1.00 0.00 H new ATOM 1154 N SER A 74 7.611 -3.511 -6.142 1.00 0.00 N ATOM 1155 CA SER A 74 8.175 -2.477 -5.282 1.00 0.00 C ATOM 1156 C SER A 74 9.118 -1.571 -6.068 1.00 0.00 C ATOM 1157 O SER A 74 9.310 -1.750 -7.271 1.00 0.00 O ATOM 1158 CB SER A 74 8.922 -3.113 -4.108 1.00 0.00 C ATOM 1159 OG SER A 74 9.348 -2.129 -3.180 1.00 0.00 O ATOM 0 H SER A 74 8.270 -4.240 -6.413 1.00 0.00 H new ATOM 0 HA SER A 74 7.354 -1.872 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.274 -3.833 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.785 -3.665 -4.479 1.00 0.00 H new ATOM 0 HG SER A 74 9.954 -2.536 -2.526 1.00 0.00 H new ATOM 1165 N HIS A 75 9.704 -0.597 -5.379 1.00 0.00 N ATOM 1166 CA HIS A 75 10.627 0.338 -6.011 1.00 0.00 C ATOM 1167 C HIS A 75 11.809 -0.401 -6.631 1.00 0.00 C ATOM 1168 O HIS A 75 12.781 -0.720 -5.948 1.00 0.00 O ATOM 1169 CB HIS A 75 11.129 1.361 -4.991 1.00 0.00 C ATOM 1170 CG HIS A 75 11.642 2.624 -5.612 1.00 0.00 C ATOM 1171 ND1 HIS A 75 11.358 3.878 -5.113 1.00 0.00 N ATOM 1172 CD2 HIS A 75 12.427 2.822 -6.697 1.00 0.00 C ATOM 1173 CE1 HIS A 75 11.945 4.792 -5.865 1.00 0.00 C ATOM 1174 NE2 HIS A 75 12.600 4.177 -6.833 1.00 0.00 N ATOM 0 H HIS A 75 9.556 -0.435 -4.383 1.00 0.00 H new ATOM 0 HA HIS A 75 10.090 0.860 -6.804 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.318 1.606 -4.305 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.923 0.909 -4.397 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.840 2.056 -7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.897 5.860 -5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.146 4.635 -7.563 1.00 0.00 H new ATOM 1183 N ASN A 76 11.718 -0.670 -7.929 1.00 0.00 N ATOM 1184 CA ASN A 76 12.779 -1.373 -8.641 1.00 0.00 C ATOM 1185 C ASN A 76 12.923 -2.803 -8.129 1.00 0.00 C ATOM 1186 O ASN A 76 14.035 -3.305 -7.963 1.00 0.00 O ATOM 1187 CB ASN A 76 14.106 -0.628 -8.485 1.00 0.00 C ATOM 1188 CG ASN A 76 15.037 -0.852 -9.662 1.00 0.00 C ATOM 1189 OD1 ASN A 76 14.874 -0.245 -10.720 1.00 0.00 O ATOM 1190 ND2 ASN A 76 16.018 -1.728 -9.481 1.00 0.00 N ATOM 0 H ASN A 76 10.920 -0.412 -8.510 1.00 0.00 H new ATOM 0 HA ASN A 76 12.512 -1.409 -9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.910 0.439 -8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.598 -0.955 -7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.675 -1.921 -10.237 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.115 -2.208 -8.586 1.00 0.00 H new ATOM 1197 N ARG A 77 11.791 -3.453 -7.881 1.00 0.00 N ATOM 1198 CA ARG A 77 11.790 -4.825 -7.387 1.00 0.00 C ATOM 1199 C ARG A 77 10.412 -5.459 -7.545 1.00 0.00 C ATOM 1200 O ARG A 77 9.404 -4.761 -7.663 1.00 0.00 O ATOM 1201 CB ARG A 77 12.215 -4.861 -5.917 1.00 0.00 C ATOM 1202 CG ARG A 77 12.862 -6.172 -5.502 1.00 0.00 C ATOM 1203 CD ARG A 77 13.544 -6.052 -4.148 1.00 0.00 C ATOM 1204 NE ARG A 77 13.999 -7.347 -3.648 1.00 0.00 N ATOM 1205 CZ ARG A 77 14.735 -7.494 -2.552 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.097 -6.432 -1.845 1.00 0.00 N ATOM 1207 NH2 ARG A 77 15.110 -8.705 -2.161 1.00 0.00 N ATOM 0 H ARG A 77 10.863 -3.052 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 77 12.504 -5.398 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.914 -4.046 -5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.341 -4.683 -5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.105 -6.956 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.592 -6.473 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.395 -5.375 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.852 -5.609 -3.431 1.00 0.00 H new ATOM 0 HE ARG A 77 13.737 -8.184 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.810 -5.499 -2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.662 -6.548 -1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.833 -9.524 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.675 -8.817 -1.319 1.00 0.00 H new ATOM 1221 N THR A 78 10.374 -6.788 -7.548 1.00 0.00 N ATOM 1222 CA THR A 78 9.120 -7.517 -7.693 1.00 0.00 C ATOM 1223 C THR A 78 8.975 -8.583 -6.613 1.00 0.00 C ATOM 1224 O THR A 78 9.917 -9.322 -6.326 1.00 0.00 O ATOM 1225 CB THR A 78 9.017 -8.187 -9.076 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.273 -7.226 -10.106 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.639 -8.800 -9.279 1.00 0.00 C ATOM 0 H THR A 78 11.198 -7.382 -7.452 1.00 0.00 H new ATOM 0 HA THR A 78 8.317 -6.787 -7.589 1.00 0.00 H new ATOM 0 HB THR A 78 9.762 -8.981 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.207 -7.660 -10.982 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.590 -9.267 -10.263 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.458 -9.552 -8.511 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.880 -8.021 -9.209 1.00 0.00 H new ATOM 1235 N TYR A 79 7.790 -8.657 -6.017 1.00 0.00 N ATOM 1236 CA TYR A 79 7.523 -9.632 -4.967 1.00 0.00 C ATOM 1237 C TYR A 79 6.410 -10.589 -5.382 1.00 0.00 C ATOM 1238 O TYR A 79 5.486 -10.210 -6.102 1.00 0.00 O ATOM 1239 CB TYR A 79 7.141 -8.922 -3.667 1.00 0.00 C ATOM 1240 CG TYR A 79 8.281 -8.151 -3.041 1.00 0.00 C ATOM 1241 CD1 TYR A 79 8.932 -7.143 -3.742 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.708 -8.431 -1.749 1.00 0.00 C ATOM 1243 CE1 TYR A 79 9.974 -6.436 -3.174 1.00 0.00 C ATOM 1244 CE2 TYR A 79 9.749 -7.729 -1.173 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.379 -6.733 -1.889 1.00 0.00 C ATOM 1246 OH TYR A 79 11.417 -6.032 -1.319 1.00 0.00 O ATOM 0 H TYR A 79 6.999 -8.053 -6.243 1.00 0.00 H new ATOM 0 HA TYR A 79 8.433 -10.210 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.316 -8.238 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.777 -9.661 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.618 -6.908 -4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.218 -9.211 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.469 -5.655 -3.733 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.068 -7.959 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 79 11.576 -6.364 -0.411 1.00 0.00 H new ATOM 1256 N HIS A 80 6.505 -11.833 -4.922 1.00 0.00 N ATOM 1257 CA HIS A 80 5.506 -12.846 -5.244 1.00 0.00 C ATOM 1258 C HIS A 80 4.702 -13.229 -4.005 1.00 0.00 C ATOM 1259 O HIS A 80 5.257 -13.395 -2.919 1.00 0.00 O ATOM 1260 CB HIS A 80 6.178 -14.086 -5.834 1.00 0.00 C ATOM 1261 CG HIS A 80 7.132 -13.778 -6.946 1.00 0.00 C ATOM 1262 ND1 HIS A 80 6.892 -12.809 -7.898 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.335 -14.317 -7.256 1.00 0.00 C ATOM 1264 CE1 HIS A 80 7.904 -12.766 -8.745 1.00 0.00 C ATOM 1265 NE2 HIS A 80 8.794 -13.671 -8.377 1.00 0.00 N ATOM 0 H HIS A 80 7.263 -12.163 -4.325 1.00 0.00 H new ATOM 0 HA HIS A 80 4.823 -12.426 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.713 -14.611 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.409 -14.765 -6.203 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.062 -12.218 -7.941 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.839 -15.108 -6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.990 -12.104 -9.594 1.00 0.00 H new ATOM 1274 N PHE A 81 3.391 -13.366 -4.176 1.00 0.00 N ATOM 1275 CA PHE A 81 2.510 -13.728 -3.071 1.00 0.00 C ATOM 1276 C PHE A 81 1.336 -14.568 -3.564 1.00 0.00 C ATOM 1277 O PHE A 81 0.897 -14.429 -4.706 1.00 0.00 O ATOM 1278 CB PHE A 81 1.994 -12.470 -2.370 1.00 0.00 C ATOM 1279 CG PHE A 81 3.074 -11.670 -1.700 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.816 -12.214 -0.664 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.349 -10.375 -2.108 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.810 -11.479 -0.046 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.343 -9.636 -1.494 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.075 -10.189 -0.462 1.00 0.00 C ATOM 0 H PHE A 81 2.915 -13.232 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 81 3.085 -14.322 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.486 -11.840 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.251 -12.757 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.615 -13.223 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.780 -9.938 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.380 -11.913 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.547 -8.627 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.853 -9.614 0.019 1.00 0.00 H new ATOM 1294 N GLN A 82 0.833 -15.439 -2.696 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.289 -16.303 -3.044 1.00 0.00 C ATOM 1296 C GLN A 82 -1.227 -16.483 -1.854 1.00 0.00 C ATOM 1297 O GLN A 82 -0.809 -16.925 -0.784 1.00 0.00 O ATOM 1298 CB GLN A 82 0.216 -17.665 -3.521 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.780 -18.413 -4.392 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.252 -19.755 -4.862 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.318 -20.748 -4.138 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.275 -19.790 -6.080 1.00 0.00 N ATOM 0 H GLN A 82 1.184 -15.565 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.844 -15.827 -3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.141 -17.525 -4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.458 -18.278 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.703 -18.566 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.030 -17.801 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.309 -18.942 -6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.646 -20.665 -6.450 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.495 -16.137 -2.049 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.492 -16.262 -0.993 1.00 0.00 C ATOM 1313 C ALA A 83 -3.874 -17.721 -0.768 1.00 0.00 C ATOM 1314 O ALA A 83 -3.948 -18.504 -1.714 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.725 -15.437 -1.330 1.00 0.00 C ATOM 0 H ALA A 83 -2.856 -15.768 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.056 -15.882 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.461 -15.540 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.445 -14.389 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.154 -15.790 -2.268 1.00 0.00 H new ATOM 1321 N GLU A 84 -4.114 -18.078 0.490 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.487 -19.444 0.837 1.00 0.00 C ATOM 1323 C GLU A 84 -5.870 -19.786 0.291 1.00 0.00 C ATOM 1324 O GLU A 84 -6.083 -20.869 -0.255 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.464 -19.633 2.355 1.00 0.00 C ATOM 1326 CG GLU A 84 -3.072 -19.553 2.958 1.00 0.00 C ATOM 1327 CD GLU A 84 -3.086 -19.639 4.472 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -3.585 -20.653 5.003 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.598 -18.693 5.125 1.00 0.00 O ATOM 0 H GLU A 84 -4.057 -17.441 1.285 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.760 -20.118 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.095 -18.873 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.901 -20.601 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.460 -20.361 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.602 -18.617 2.655 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.806 -18.856 0.444 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.169 -19.058 -0.034 1.00 0.00 C ATOM 1338 C ASP A 85 -8.648 -17.851 -0.835 1.00 0.00 C ATOM 1339 O ASP A 85 -8.048 -16.778 -0.777 1.00 0.00 O ATOM 1340 CB ASP A 85 -9.112 -19.311 1.143 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.720 -20.536 1.946 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -9.150 -21.650 1.579 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -7.981 -20.381 2.941 1.00 0.00 O ATOM 0 H ASP A 85 -6.646 -17.955 0.895 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.174 -19.930 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.116 -18.438 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.129 -19.435 0.770 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.733 -18.035 -1.582 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.290 -16.961 -2.395 1.00 0.00 C ATOM 1350 C GLU A 86 -10.668 -15.763 -1.530 1.00 0.00 C ATOM 1351 O GLU A 86 -10.510 -14.614 -1.942 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.518 -17.458 -3.162 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.734 -16.750 -4.489 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.001 -17.199 -5.191 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.416 -18.358 -4.982 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.577 -16.391 -5.948 1.00 0.00 O ATOM 0 H GLU A 86 -10.243 -18.917 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.527 -16.646 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.414 -18.528 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.403 -17.324 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.779 -15.674 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.878 -16.935 -5.139 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.166 -16.040 -0.330 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.567 -14.985 0.593 1.00 0.00 C ATOM 1365 C GLN A 87 -10.372 -14.126 0.991 1.00 0.00 C ATOM 1366 O GLN A 87 -10.457 -12.898 1.012 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.214 -15.589 1.841 1.00 0.00 C ATOM 1368 CG GLN A 87 -13.714 -15.800 1.707 1.00 0.00 C ATOM 1369 CD GLN A 87 -14.322 -16.458 2.930 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -14.688 -15.785 3.894 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -14.433 -17.781 2.897 1.00 0.00 N ATOM 0 H GLN A 87 -11.302 -16.986 0.026 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.294 -14.351 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.739 -16.545 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.022 -14.936 2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.199 -14.838 1.538 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.914 -16.416 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.117 -18.299 2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.835 -18.279 3.691 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.259 -14.780 1.306 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.045 -14.076 1.702 1.00 0.00 C ATOM 1382 C ASP A 88 -7.577 -13.134 0.597 1.00 0.00 C ATOM 1383 O ASP A 88 -7.165 -12.005 0.863 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.937 -15.075 2.040 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.929 -14.512 3.022 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.333 -14.160 4.150 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.736 -14.424 2.663 1.00 0.00 O ATOM 0 H ASP A 88 -9.173 -15.796 1.295 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.272 -13.483 2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.381 -15.978 2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.423 -15.367 1.124 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.643 -13.606 -0.643 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.223 -12.807 -1.788 1.00 0.00 C ATOM 1394 C TYR A 89 -8.102 -11.569 -1.940 1.00 0.00 C ATOM 1395 O TYR A 89 -7.605 -10.443 -1.984 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.277 -13.644 -3.067 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.118 -12.829 -4.331 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -8.217 -12.241 -4.945 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.869 -12.648 -4.911 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -8.076 -11.496 -6.100 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.718 -11.903 -6.065 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.825 -11.330 -6.656 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.680 -10.588 -7.806 1.00 0.00 O ATOM 0 H TYR A 89 -7.983 -14.538 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.197 -12.483 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.492 -14.399 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.228 -14.175 -3.104 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.198 -12.368 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.001 -13.097 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.941 -11.046 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.739 -11.770 -6.502 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.372 -9.895 -7.838 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.411 -11.786 -2.019 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.360 -10.689 -2.164 1.00 0.00 C ATOM 1415 C VAL A 90 -10.157 -9.639 -1.077 1.00 0.00 C ATOM 1416 O VAL A 90 -10.192 -8.439 -1.344 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.814 -11.194 -2.109 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.786 -10.024 -2.110 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -12.095 -12.132 -3.273 1.00 0.00 C ATOM 0 H VAL A 90 -9.838 -12.712 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.176 -10.238 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.953 -11.750 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.808 -10.400 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.598 -9.394 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.650 -9.438 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.127 -12.480 -3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.939 -11.602 -4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.421 -12.987 -3.222 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.944 -10.101 0.151 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.733 -9.202 1.279 1.00 0.00 C ATOM 1431 C ALA A 91 -8.398 -8.476 1.160 1.00 0.00 C ATOM 1432 O ALA A 91 -8.344 -7.246 1.195 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.801 -9.974 2.589 1.00 0.00 C ATOM 0 H ALA A 91 -9.913 -11.092 0.390 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.526 -8.454 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.642 -9.290 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.781 -10.442 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.029 -10.744 2.598 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.323 -9.243 1.019 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.987 -8.671 0.895 1.00 0.00 C ATOM 1441 C TRP A 92 -5.963 -7.565 -0.154 1.00 0.00 C ATOM 1442 O TRP A 92 -5.614 -6.422 0.144 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.976 -9.760 0.530 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.389 -10.449 1.724 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.535 -11.763 2.066 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.563 -9.860 2.734 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.850 -12.026 3.228 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.245 -10.875 3.657 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.059 -8.574 2.947 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.448 -10.641 4.775 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.269 -8.344 4.057 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.968 -9.373 4.959 1.00 0.00 C ATOM 0 H TRP A 92 -7.350 -10.262 0.988 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.713 -8.238 1.857 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.463 -10.500 -0.105 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.171 -9.317 -0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -5.105 -12.489 1.505 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.800 -12.931 3.695 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.283 -7.774 2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.217 -11.433 5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.876 -7.353 4.232 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.345 -9.161 5.816 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.336 -7.912 -1.381 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.358 -6.947 -2.473 1.00 0.00 C ATOM 1465 C ILE A 93 -7.090 -5.672 -2.066 1.00 0.00 C ATOM 1466 O ILE A 93 -6.646 -4.565 -2.369 1.00 0.00 O ATOM 1467 CB ILE A 93 -7.031 -7.533 -3.729 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.192 -8.680 -4.295 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.231 -6.449 -4.777 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.837 -8.243 -4.806 1.00 0.00 C ATOM 0 H ILE A 93 -6.627 -8.854 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.320 -6.709 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.009 -7.926 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.053 -9.434 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.742 -9.155 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.707 -6.878 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.865 -5.661 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.264 -6.029 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.298 -9.108 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.967 -7.511 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.268 -7.795 -3.991 1.00 0.00 H new ATOM 1482 N SER A 94 -8.214 -5.837 -1.376 1.00 0.00 N ATOM 1483 CA SER A 94 -9.009 -4.700 -0.928 1.00 0.00 C ATOM 1484 C SER A 94 -8.186 -3.781 -0.029 1.00 0.00 C ATOM 1485 O SER A 94 -8.223 -2.559 -0.170 1.00 0.00 O ATOM 1486 CB SER A 94 -10.253 -5.183 -0.180 1.00 0.00 C ATOM 1487 OG SER A 94 -11.333 -5.399 -1.071 1.00 0.00 O ATOM 0 H SER A 94 -8.594 -6.747 -1.115 1.00 0.00 H new ATOM 0 HA SER A 94 -9.319 -4.136 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.026 -6.107 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.539 -4.446 0.571 1.00 0.00 H new ATOM 0 HG SER A 94 -12.164 -5.497 -0.560 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.443 -4.380 0.896 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.609 -3.618 1.818 1.00 0.00 C ATOM 1495 C VAL A 95 -5.434 -2.973 1.091 1.00 0.00 C ATOM 1496 O VAL A 95 -5.391 -1.754 0.917 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.070 -4.507 2.954 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -5.905 -3.700 4.232 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -6.990 -5.698 3.180 1.00 0.00 C ATOM 0 H VAL A 95 -7.402 -5.391 1.027 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.240 -2.839 2.245 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.090 -4.884 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.523 -4.345 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.203 -2.884 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.870 -3.291 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.594 -6.316 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.985 -5.343 3.450 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.051 -6.289 2.266 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.482 -3.797 0.668 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.305 -3.308 -0.041 1.00 0.00 C ATOM 1511 C LEU A 96 -3.652 -2.096 -0.900 1.00 0.00 C ATOM 1512 O LEU A 96 -2.937 -1.093 -0.898 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.715 -4.415 -0.915 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.352 -5.716 -0.198 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.297 -6.872 -1.184 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.025 -5.570 0.531 1.00 0.00 C ATOM 0 H LEU A 96 -4.502 -4.808 0.804 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.565 -3.006 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.430 -4.646 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.818 -4.029 -1.400 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.126 -5.931 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.037 -7.789 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.270 -6.991 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.544 -6.666 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.782 -6.505 1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.240 -5.330 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.100 -4.770 1.267 1.00 0.00 H new ATOM 1528 N THR A 97 -4.757 -2.194 -1.634 1.00 0.00 N ATOM 1529 CA THR A 97 -5.200 -1.107 -2.497 1.00 0.00 C ATOM 1530 C THR A 97 -5.776 0.044 -1.680 1.00 0.00 C ATOM 1531 O THR A 97 -5.359 1.192 -1.827 1.00 0.00 O ATOM 1532 CB THR A 97 -6.260 -1.587 -3.506 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.836 -2.810 -4.118 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.502 -0.535 -4.579 1.00 0.00 C ATOM 0 H THR A 97 -5.361 -3.016 -1.647 1.00 0.00 H new ATOM 0 HA THR A 97 -4.323 -0.758 -3.042 1.00 0.00 H new ATOM 0 HB THR A 97 -7.192 -1.755 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.195 -3.570 -3.614 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.254 -0.897 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.853 0.386 -4.113 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.572 -0.340 -5.113 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.738 -0.272 -0.819 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.372 0.736 0.023 1.00 0.00 C ATOM 1544 C ASN A 98 -6.328 1.523 0.809 1.00 0.00 C ATOM 1545 O ASN A 98 -6.168 2.728 0.615 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.362 0.078 0.985 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.592 -0.454 0.275 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -9.976 0.045 -0.783 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.217 -1.471 0.856 1.00 0.00 N ATOM 0 H ASN A 98 -7.096 -1.218 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.911 1.428 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.866 -0.739 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.667 0.803 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.051 -1.870 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.863 -1.853 1.733 1.00 0.00 H new ATOM 1556 N SER A 99 -5.620 0.833 1.697 1.00 0.00 N ATOM 1557 CA SER A 99 -4.593 1.468 2.516 1.00 0.00 C ATOM 1558 C SER A 99 -3.859 2.547 1.726 1.00 0.00 C ATOM 1559 O SER A 99 -3.642 3.654 2.219 1.00 0.00 O ATOM 1560 CB SER A 99 -3.596 0.423 3.021 1.00 0.00 C ATOM 1561 OG SER A 99 -2.932 0.875 4.188 1.00 0.00 O ATOM 0 H SER A 99 -5.738 -0.166 1.868 1.00 0.00 H new ATOM 0 HA SER A 99 -5.082 1.936 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.118 -0.510 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.864 0.208 2.242 1.00 0.00 H new ATOM 0 HG SER A 99 -2.325 0.176 4.510 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.479 2.217 0.496 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.771 3.156 -0.365 1.00 0.00 C ATOM 1569 C LYS A 100 -3.590 4.425 -0.575 1.00 0.00 C ATOM 1570 O LYS A 100 -3.160 5.519 -0.211 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.460 2.507 -1.715 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.743 3.432 -2.684 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.628 2.811 -4.066 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.480 3.419 -4.856 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.727 3.366 -6.324 1.00 0.00 N ATOM 0 H LYS A 100 -3.650 1.305 0.073 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.836 3.426 0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.847 1.621 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.391 2.170 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.282 4.377 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.748 3.659 -2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.477 1.736 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.562 2.955 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.337 4.455 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.443 2.887 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.078 3.790 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.839 2.376 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.593 3.895 -6.550 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.772 4.271 -1.164 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.650 5.406 -1.422 1.00 0.00 C ATOM 1591 C GLU A 101 -5.967 6.153 -0.129 1.00 0.00 C ATOM 1592 O GLU A 101 -5.689 7.346 -0.007 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.948 4.935 -2.082 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.755 4.399 -3.490 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.536 5.500 -4.509 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -6.919 6.655 -4.227 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.981 5.207 -5.589 1.00 0.00 O ATOM 0 H GLU A 101 -5.143 3.372 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.133 6.087 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.398 4.157 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.653 5.766 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.901 3.722 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.630 3.814 -3.775 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.549 5.443 0.831 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.904 6.040 2.114 1.00 0.00 C ATOM 1606 C GLU A 102 -5.801 6.973 2.603 1.00 0.00 C ATOM 1607 O GLU A 102 -6.072 7.991 3.239 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.164 4.949 3.155 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.533 4.301 3.030 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.652 5.206 3.507 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.903 5.244 4.730 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.276 5.877 2.658 1.00 0.00 O ATOM 0 H GLU A 102 -6.785 4.454 0.746 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.814 6.623 1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.397 4.180 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.065 5.379 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.709 4.030 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.547 3.376 3.607 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.556 6.618 2.303 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.412 7.423 2.710 1.00 0.00 C ATOM 1621 C ALA A 103 -3.250 8.643 1.809 1.00 0.00 C ATOM 1622 O ALA A 103 -2.841 9.712 2.262 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.144 6.583 2.698 1.00 0.00 C ATOM 0 H ALA A 103 -4.314 5.777 1.779 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.591 7.776 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.297 7.198 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.255 5.747 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.970 6.201 1.692 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.572 8.475 0.531 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.462 9.562 -0.435 1.00 0.00 C ATOM 1631 C LEU A 104 -4.644 10.519 -0.316 1.00 0.00 C ATOM 1632 O LEU A 104 -4.476 11.694 0.012 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.386 9.002 -1.856 1.00 0.00 C ATOM 1634 CG LEU A 104 -2.009 8.521 -2.315 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -2.138 7.612 -3.528 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -1.106 9.705 -2.628 1.00 0.00 C ATOM 0 H LEU A 104 -3.911 7.596 0.140 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.548 10.115 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.085 8.169 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.729 9.772 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.557 7.950 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.148 7.280 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.747 6.746 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.611 8.159 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.131 9.343 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.553 10.304 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.986 10.318 -1.734 1.00 0.00 H new ATOM 1648 N THR A 105 -5.842 10.007 -0.582 1.00 0.00 N ATOM 1649 CA THR A 105 -7.053 10.814 -0.504 1.00 0.00 C ATOM 1650 C THR A 105 -6.957 11.842 0.619 1.00 0.00 C ATOM 1651 O THR A 105 -7.342 12.998 0.449 1.00 0.00 O ATOM 1652 CB THR A 105 -8.299 9.938 -0.277 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.476 10.754 -0.264 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.192 9.174 1.034 1.00 0.00 C ATOM 0 H THR A 105 -5.999 9.036 -0.853 1.00 0.00 H new ATOM 0 HA THR A 105 -7.151 11.330 -1.459 1.00 0.00 H new ATOM 0 HB THR A 105 -8.364 9.219 -1.094 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.264 10.189 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.084 8.562 1.172 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.312 8.532 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.104 9.880 1.860 1.00 0.00 H new