USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 LYS NZ :NH3+ 169:sc= 0.463 (180deg=0) USER MOD Set 1.2: A 131 TYR OH : rot 180:sc= 0.427 USER MOD Set 2.1: A 63 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 16:sc= 0.00956 USER MOD Set 3.2: A 40 SER OG : rot 133:sc= -0.656 USER MOD Set 3.3: A 134 LYS NZ :NH3+ 142:sc= 0.487 (180deg=0) USER MOD Set 4.1: A 11 SER OG : rot 97:sc= 0.414 USER MOD Set 4.2: A 12 HIS : no HE2:sc= -3.43! X(o=-3!,f=-3.5) USER MOD Single : A 6 SER OG : rot -20:sc= 0.752 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.16) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0393 USER MOD Single : A 19 SER OG : rot 180:sc= -0.421 USER MOD Single : A 22 SER OG : rot -54:sc= 0.192 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0768 USER MOD Single : A 37 ASN : amide:sc= -5.49! C(o=-5.5!,f=-12!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 136:sc= 0.866 USER MOD Single : A 52 SER OG : rot -56:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= -0.453 (180deg=-2.85!) USER MOD Single : A 62 SER OG : rot -22:sc= 0.714 USER MOD Single : A 69 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.1) USER MOD Single : A 85 SER OG : rot 170:sc= 0.049 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -50:sc= -0.502! USER MOD Single : A 115 THR OG1 : rot -73:sc= -2.59! USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00872) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.13) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.428 F(o=-5.5!,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.462 15.133 0.520 1.00 0.00 N ATOM 81 CA SER A 6 -5.596 14.435 1.520 1.00 0.00 C ATOM 82 C SER A 6 -6.392 14.227 2.811 1.00 0.00 C ATOM 83 O SER A 6 -7.187 15.060 3.198 1.00 0.00 O ATOM 84 CB SER A 6 -4.343 15.271 1.803 1.00 0.00 C ATOM 85 OG SER A 6 -4.612 16.634 1.515 1.00 0.00 O ATOM 0 HA SER A 6 -5.286 13.468 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.046 15.160 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.511 14.917 1.195 1.00 0.00 H new ATOM 0 HG SER A 6 -5.388 16.696 0.920 1.00 0.00 H new ATOM 91 N LYS A 7 -6.193 13.115 3.476 1.00 0.00 N ATOM 92 CA LYS A 7 -6.948 12.849 4.739 1.00 0.00 C ATOM 93 C LYS A 7 -5.972 12.426 5.835 1.00 0.00 C ATOM 94 O LYS A 7 -5.044 11.685 5.593 1.00 0.00 O ATOM 95 CB LYS A 7 -7.962 11.721 4.504 1.00 0.00 C ATOM 96 CG LYS A 7 -8.865 12.061 3.309 1.00 0.00 C ATOM 97 CD LYS A 7 -9.996 13.001 3.754 1.00 0.00 C ATOM 98 CE LYS A 7 -10.342 13.965 2.615 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.787 13.186 1.423 1.00 0.00 N ATOM 0 H LYS A 7 -5.541 12.381 3.199 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.473 13.755 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.438 10.784 4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.569 11.575 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.277 12.533 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.285 11.147 2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.876 12.421 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.690 13.561 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.129 14.650 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.473 14.573 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.197 13.833 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.972 12.692 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.503 12.489 1.711 1.00 0.00 H new ATOM 113 N ALA A 8 -6.170 12.890 7.040 1.00 0.00 N ATOM 114 CA ALA A 8 -5.241 12.508 8.143 1.00 0.00 C ATOM 115 C ALA A 8 -5.720 11.213 8.799 1.00 0.00 C ATOM 116 O ALA A 8 -6.899 10.922 8.844 1.00 0.00 O ATOM 117 CB ALA A 8 -5.201 13.622 9.192 1.00 0.00 C ATOM 0 H ALA A 8 -6.931 13.514 7.308 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.243 12.358 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.522 13.340 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.852 14.545 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.201 13.775 9.598 1.00 0.00 H new ATOM 123 N TYR A 9 -4.806 10.433 9.310 1.00 0.00 N ATOM 124 CA TYR A 9 -5.191 9.155 9.968 1.00 0.00 C ATOM 125 C TYR A 9 -4.042 8.692 10.866 1.00 0.00 C ATOM 126 O TYR A 9 -2.897 8.669 10.462 1.00 0.00 O ATOM 127 CB TYR A 9 -5.471 8.095 8.899 1.00 0.00 C ATOM 128 CG TYR A 9 -6.289 6.976 9.498 1.00 0.00 C ATOM 129 CD1 TYR A 9 -7.688 7.057 9.506 1.00 0.00 C ATOM 130 CD2 TYR A 9 -5.650 5.858 10.046 1.00 0.00 C ATOM 131 CE1 TYR A 9 -8.446 6.019 10.061 1.00 0.00 C ATOM 132 CE2 TYR A 9 -6.409 4.820 10.602 1.00 0.00 C ATOM 133 CZ TYR A 9 -7.806 4.901 10.610 1.00 0.00 C ATOM 134 OH TYR A 9 -8.555 3.879 11.157 1.00 0.00 O ATOM 0 H TYR A 9 -3.805 10.628 9.299 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.088 9.303 10.569 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.006 8.542 8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.533 7.703 8.506 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.181 7.920 9.084 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.572 5.795 10.040 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.524 6.081 10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.916 3.957 11.025 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.957 3.179 11.493 1.00 0.00 H new ATOM 144 N GLY A 10 -4.333 8.328 12.082 1.00 0.00 N ATOM 145 CA GLY A 10 -3.248 7.875 12.995 1.00 0.00 C ATOM 146 C GLY A 10 -2.436 9.087 13.456 1.00 0.00 C ATOM 147 O GLY A 10 -2.479 9.470 14.609 1.00 0.00 O ATOM 0 H GLY A 10 -5.271 8.324 12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.673 7.359 13.856 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.601 7.162 12.484 1.00 0.00 H new ATOM 151 N SER A 11 -1.697 9.698 12.567 1.00 0.00 N ATOM 152 CA SER A 11 -0.888 10.887 12.966 1.00 0.00 C ATOM 153 C SER A 11 -0.109 11.423 11.758 1.00 0.00 C ATOM 154 O SER A 11 0.926 12.041 11.910 1.00 0.00 O ATOM 155 CB SER A 11 0.094 10.486 14.068 1.00 0.00 C ATOM 156 OG SER A 11 0.622 9.197 13.780 1.00 0.00 O ATOM 0 H SER A 11 -1.619 9.427 11.587 1.00 0.00 H new ATOM 0 HA SER A 11 -1.556 11.666 13.333 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.901 11.216 14.135 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.410 10.478 15.035 1.00 0.00 H new ATOM 0 HG SER A 11 1.490 9.291 13.335 1.00 0.00 H new ATOM 162 N HIS A 12 -0.592 11.198 10.563 1.00 0.00 N ATOM 163 CA HIS A 12 0.127 11.701 9.363 1.00 0.00 C ATOM 164 C HIS A 12 -0.898 12.132 8.315 1.00 0.00 C ATOM 165 O HIS A 12 -1.984 11.590 8.237 1.00 0.00 O ATOM 166 CB HIS A 12 0.997 10.583 8.785 1.00 0.00 C ATOM 167 CG HIS A 12 1.768 9.914 9.890 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.142 10.036 10.005 1.00 0.00 N ATOM 169 CD2 HIS A 12 1.373 9.111 10.931 1.00 0.00 C ATOM 170 CE1 HIS A 12 3.524 9.323 11.081 1.00 0.00 C ATOM 171 NE2 HIS A 12 2.484 8.738 11.682 1.00 0.00 N ATOM 0 H HIS A 12 -1.454 10.687 10.370 1.00 0.00 H new ATOM 0 HA HIS A 12 0.757 12.547 9.639 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.372 9.852 8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.685 10.991 8.045 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.754 10.569 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.355 8.814 11.136 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.546 9.235 11.417 1.00 0.00 H new ATOM 179 N CYS A 13 -0.564 13.092 7.499 1.00 0.00 N ATOM 180 CA CYS A 13 -1.523 13.537 6.452 1.00 0.00 C ATOM 181 C CYS A 13 -1.355 12.637 5.228 1.00 0.00 C ATOM 182 O CYS A 13 -0.263 12.455 4.729 1.00 0.00 O ATOM 183 CB CYS A 13 -1.236 14.992 6.074 1.00 0.00 C ATOM 184 SG CYS A 13 -2.729 15.733 5.375 1.00 0.00 S ATOM 0 H CYS A 13 0.328 13.586 7.512 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.545 13.469 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.916 15.552 6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.421 15.038 5.352 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.490 16.970 5.055 1.00 0.00 H new ATOM 189 N TYR A 14 -2.424 12.053 4.751 1.00 0.00 N ATOM 190 CA TYR A 14 -2.314 11.147 3.576 1.00 0.00 C ATOM 191 C TYR A 14 -2.716 11.888 2.303 1.00 0.00 C ATOM 192 O TYR A 14 -3.429 12.869 2.342 1.00 0.00 O ATOM 193 CB TYR A 14 -3.231 9.937 3.774 1.00 0.00 C ATOM 194 CG TYR A 14 -2.739 9.114 4.945 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.810 9.631 6.244 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.212 7.834 4.732 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.357 8.872 7.327 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.759 7.074 5.816 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.830 7.594 7.114 1.00 0.00 C ATOM 200 OH TYR A 14 -1.384 6.845 8.183 1.00 0.00 O ATOM 0 H TYR A 14 -3.366 12.166 5.126 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.281 10.812 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.254 10.268 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.247 9.328 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.216 10.618 6.410 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.155 7.433 3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.414 9.272 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.355 6.086 5.651 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.730 7.226 9.017 1.00 0.00 H new ATOM 210 N ALA A 15 -2.260 11.422 1.171 1.00 0.00 N ATOM 211 CA ALA A 15 -2.613 12.093 -0.110 1.00 0.00 C ATOM 212 C ALA A 15 -2.555 11.076 -1.250 1.00 0.00 C ATOM 213 O ALA A 15 -1.608 10.326 -1.382 1.00 0.00 O ATOM 214 CB ALA A 15 -1.625 13.228 -0.384 1.00 0.00 C ATOM 0 H ALA A 15 -1.657 10.604 1.080 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.621 12.502 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.885 13.718 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.669 13.953 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.616 12.823 -0.454 1.00 0.00 H new ATOM 220 N LEU A 16 -3.567 11.045 -2.072 1.00 0.00 N ATOM 221 CA LEU A 16 -3.589 10.079 -3.205 1.00 0.00 C ATOM 222 C LEU A 16 -3.017 10.750 -4.459 1.00 0.00 C ATOM 223 O LEU A 16 -3.393 11.850 -4.810 1.00 0.00 O ATOM 224 CB LEU A 16 -5.040 9.646 -3.458 1.00 0.00 C ATOM 225 CG LEU A 16 -5.163 8.936 -4.810 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.241 7.713 -4.842 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.611 8.484 -5.012 1.00 0.00 C ATOM 0 H LEU A 16 -4.385 11.651 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.984 9.205 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.371 8.981 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.694 10.518 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.875 9.623 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.333 7.213 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.209 8.032 -4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.524 7.023 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.704 7.978 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.893 7.799 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.269 9.353 -4.994 1.00 0.00 H new ATOM 239 N PHE A 17 -2.124 10.084 -5.144 1.00 0.00 N ATOM 240 CA PHE A 17 -1.535 10.655 -6.381 1.00 0.00 C ATOM 241 C PHE A 17 -1.836 9.697 -7.527 1.00 0.00 C ATOM 242 O PHE A 17 -1.425 8.551 -7.515 1.00 0.00 O ATOM 243 CB PHE A 17 -0.021 10.801 -6.212 1.00 0.00 C ATOM 244 CG PHE A 17 0.274 11.988 -5.324 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.213 13.284 -5.849 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.610 11.791 -3.980 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.487 14.384 -5.027 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.884 12.891 -3.158 1.00 0.00 C ATOM 249 CZ PHE A 17 0.822 14.188 -3.682 1.00 0.00 C ATOM 0 H PHE A 17 -1.777 9.159 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.958 11.638 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.396 9.894 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.453 10.934 -7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.045 13.435 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.658 10.790 -3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.440 15.384 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.143 12.739 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.033 15.037 -3.049 1.00 0.00 H new ATOM 259 N LEU A 18 -2.550 10.149 -8.514 1.00 0.00 N ATOM 260 CA LEU A 18 -2.878 9.262 -9.655 1.00 0.00 C ATOM 261 C LEU A 18 -1.615 9.069 -10.471 1.00 0.00 C ATOM 262 O LEU A 18 -1.642 8.573 -11.581 1.00 0.00 O ATOM 263 CB LEU A 18 -3.966 9.906 -10.520 1.00 0.00 C ATOM 264 CG LEU A 18 -5.078 10.461 -9.623 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.315 10.759 -10.473 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.438 9.428 -8.550 1.00 0.00 C ATOM 0 H LEU A 18 -2.921 11.097 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.249 8.302 -9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.538 10.707 -11.123 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.377 9.171 -11.212 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.732 11.377 -9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.107 11.154 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.063 11.494 -11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.657 9.841 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.229 9.825 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.783 8.511 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.558 9.212 -7.944 1.00 0.00 H new ATOM 278 N SER A 19 -0.502 9.460 -9.922 1.00 0.00 N ATOM 279 CA SER A 19 0.777 9.300 -10.669 1.00 0.00 C ATOM 280 C SER A 19 1.394 7.932 -10.338 1.00 0.00 C ATOM 281 O SER A 19 1.666 7.638 -9.191 1.00 0.00 O ATOM 282 CB SER A 19 1.761 10.403 -10.282 1.00 0.00 C ATOM 283 OG SER A 19 1.124 11.313 -9.393 1.00 0.00 O ATOM 0 H SER A 19 -0.420 9.880 -8.996 1.00 0.00 H new ATOM 0 HA SER A 19 0.571 9.367 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.642 9.970 -9.808 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.105 10.928 -11.173 1.00 0.00 H new ATOM 0 HG SER A 19 1.754 12.020 -9.142 1.00 0.00 H new ATOM 289 N PRO A 20 1.619 7.103 -11.327 1.00 0.00 N ATOM 290 CA PRO A 20 2.219 5.762 -11.085 1.00 0.00 C ATOM 291 C PRO A 20 3.634 5.864 -10.503 1.00 0.00 C ATOM 292 O PRO A 20 4.358 6.800 -10.777 1.00 0.00 O ATOM 293 CB PRO A 20 2.260 5.152 -12.487 1.00 0.00 C ATOM 294 CG PRO A 20 1.708 6.175 -13.492 1.00 0.00 C ATOM 295 CD PRO A 20 1.292 7.435 -12.738 1.00 0.00 C ATOM 0 HA PRO A 20 1.654 5.174 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.282 4.880 -12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.668 4.237 -12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.465 6.415 -14.239 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.855 5.756 -14.026 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.840 8.312 -13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.231 7.651 -12.867 1.00 0.00 H new ATOM 303 N LYS A 21 4.045 4.902 -9.721 1.00 0.00 N ATOM 304 CA LYS A 21 5.423 4.951 -9.147 1.00 0.00 C ATOM 305 C LYS A 21 5.824 3.555 -8.662 1.00 0.00 C ATOM 306 O LYS A 21 5.124 2.939 -7.890 1.00 0.00 O ATOM 307 CB LYS A 21 5.452 5.929 -7.966 1.00 0.00 C ATOM 308 CG LYS A 21 5.520 7.376 -8.474 1.00 0.00 C ATOM 309 CD LYS A 21 6.112 8.273 -7.382 1.00 0.00 C ATOM 310 CE LYS A 21 5.918 9.741 -7.766 1.00 0.00 C ATOM 311 NZ LYS A 21 6.400 10.613 -6.658 1.00 0.00 N ATOM 0 H LYS A 21 3.491 4.088 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 21 6.123 5.285 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.562 5.794 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.313 5.718 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.132 7.428 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.524 7.725 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.628 8.069 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.173 8.057 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.465 9.963 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.865 9.939 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.443 11.599 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.746 10.544 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.348 10.305 -6.361 1.00 0.00 H new ATOM 325 N SER A 22 6.953 3.056 -9.090 1.00 0.00 N ATOM 326 CA SER A 22 7.385 1.704 -8.626 1.00 0.00 C ATOM 327 C SER A 22 7.252 1.635 -7.104 1.00 0.00 C ATOM 328 O SER A 22 7.421 2.622 -6.416 1.00 0.00 O ATOM 329 CB SER A 22 8.842 1.464 -9.023 1.00 0.00 C ATOM 330 OG SER A 22 8.922 1.278 -10.430 1.00 0.00 O ATOM 0 H SER A 22 7.591 3.521 -9.736 1.00 0.00 H new ATOM 0 HA SER A 22 6.759 0.940 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.457 2.312 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.232 0.587 -8.506 1.00 0.00 H new ATOM 0 HG SER A 22 8.302 0.569 -10.702 1.00 0.00 H new ATOM 336 N TRP A 23 6.954 0.484 -6.566 1.00 0.00 N ATOM 337 CA TRP A 23 6.820 0.384 -5.085 1.00 0.00 C ATOM 338 C TRP A 23 8.117 0.870 -4.454 1.00 0.00 C ATOM 339 O TRP A 23 8.164 1.247 -3.302 1.00 0.00 O ATOM 340 CB TRP A 23 6.576 -1.073 -4.677 1.00 0.00 C ATOM 341 CG TRP A 23 6.581 -1.173 -3.185 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.475 -1.252 -2.409 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.721 -1.202 -2.278 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.864 -1.327 -1.084 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.239 -1.299 -0.951 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.113 -1.154 -2.476 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.106 -1.347 0.141 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.988 -1.201 -1.378 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.486 -1.298 -0.073 1.00 0.00 C ATOM 0 H TRP A 23 6.799 -0.383 -7.081 1.00 0.00 H new ATOM 0 HA TRP A 23 5.979 0.990 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.622 -1.419 -5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.349 -1.716 -5.099 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.456 -1.256 -2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.215 -1.395 -0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.511 -1.081 -3.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.713 -1.421 1.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.055 -1.162 -1.541 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.165 -1.335 0.766 1.00 0.00 H new ATOM 360 N THR A 24 9.172 0.860 -5.214 1.00 0.00 N ATOM 361 CA THR A 24 10.486 1.315 -4.688 1.00 0.00 C ATOM 362 C THR A 24 10.651 2.806 -4.979 1.00 0.00 C ATOM 363 O THR A 24 11.457 3.489 -4.382 1.00 0.00 O ATOM 364 CB THR A 24 11.600 0.522 -5.379 1.00 0.00 C ATOM 365 OG1 THR A 24 12.816 0.697 -4.668 1.00 0.00 O ATOM 366 CG2 THR A 24 11.772 1.007 -6.822 1.00 0.00 C ATOM 0 H THR A 24 9.181 0.553 -6.187 1.00 0.00 H new ATOM 0 HA THR A 24 10.539 1.151 -3.612 1.00 0.00 H new ATOM 0 HB THR A 24 11.333 -0.535 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.529 0.189 -5.109 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.566 0.438 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.839 0.864 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.033 2.065 -6.821 1.00 0.00 H new ATOM 374 N ASP A 25 9.882 3.304 -5.904 1.00 0.00 N ATOM 375 CA ASP A 25 9.966 4.748 -6.265 1.00 0.00 C ATOM 376 C ASP A 25 9.040 5.546 -5.352 1.00 0.00 C ATOM 377 O ASP A 25 9.395 6.600 -4.866 1.00 0.00 O ATOM 378 CB ASP A 25 9.539 4.945 -7.722 1.00 0.00 C ATOM 379 CG ASP A 25 10.692 4.555 -8.650 1.00 0.00 C ATOM 380 OD1 ASP A 25 11.536 3.785 -8.223 1.00 0.00 O ATOM 381 OD2 ASP A 25 10.709 5.032 -9.773 1.00 0.00 O ATOM 0 H ASP A 25 9.192 2.769 -6.431 1.00 0.00 H new ATOM 0 HA ASP A 25 10.993 5.093 -6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.661 4.337 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.257 5.984 -7.892 1.00 0.00 H new ATOM 386 N ALA A 26 7.863 5.045 -5.098 1.00 0.00 N ATOM 387 CA ALA A 26 6.942 5.770 -4.202 1.00 0.00 C ATOM 388 C ALA A 26 7.452 5.582 -2.782 1.00 0.00 C ATOM 389 O ALA A 26 7.317 6.439 -1.936 1.00 0.00 O ATOM 390 CB ALA A 26 5.541 5.188 -4.345 1.00 0.00 C ATOM 0 H ALA A 26 7.507 4.167 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 26 6.899 6.831 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.857 5.721 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.206 5.295 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.557 4.132 -4.076 1.00 0.00 H new ATOM 396 N ASP A 27 8.057 4.458 -2.528 1.00 0.00 N ATOM 397 CA ASP A 27 8.605 4.188 -1.180 1.00 0.00 C ATOM 398 C ASP A 27 9.705 5.207 -0.870 1.00 0.00 C ATOM 399 O ASP A 27 9.786 5.734 0.221 1.00 0.00 O ATOM 400 CB ASP A 27 9.192 2.780 -1.175 1.00 0.00 C ATOM 401 CG ASP A 27 9.982 2.550 0.115 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.438 2.814 1.174 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.117 2.114 0.021 1.00 0.00 O ATOM 0 H ASP A 27 8.195 3.709 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 27 7.822 4.268 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.393 2.043 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.842 2.645 -2.039 1.00 0.00 H new ATOM 408 N LEU A 28 10.552 5.483 -1.823 1.00 0.00 N ATOM 409 CA LEU A 28 11.650 6.464 -1.586 1.00 0.00 C ATOM 410 C LEU A 28 11.080 7.886 -1.548 1.00 0.00 C ATOM 411 O LEU A 28 11.424 8.677 -0.694 1.00 0.00 O ATOM 412 CB LEU A 28 12.677 6.359 -2.718 1.00 0.00 C ATOM 413 CG LEU A 28 13.961 7.104 -2.329 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.867 6.184 -1.505 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.703 7.540 -3.595 1.00 0.00 C ATOM 0 H LEU A 28 10.532 5.072 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 28 12.129 6.244 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.901 5.312 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.265 6.781 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 28 13.699 7.980 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.777 6.719 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.344 5.873 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.126 5.305 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.615 8.069 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.959 6.662 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.064 8.200 -4.182 1.00 0.00 H new ATOM 427 N ALA A 29 10.221 8.219 -2.471 1.00 0.00 N ATOM 428 CA ALA A 29 9.641 9.593 -2.490 1.00 0.00 C ATOM 429 C ALA A 29 8.779 9.815 -1.246 1.00 0.00 C ATOM 430 O ALA A 29 8.971 10.764 -0.515 1.00 0.00 O ATOM 431 CB ALA A 29 8.780 9.766 -3.739 1.00 0.00 C ATOM 0 H ALA A 29 9.895 7.600 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 29 10.452 10.321 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.356 10.770 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.394 9.619 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.974 9.032 -3.730 1.00 0.00 H new ATOM 437 N CYS A 30 7.834 8.952 -0.991 1.00 0.00 N ATOM 438 CA CYS A 30 6.985 9.139 0.212 1.00 0.00 C ATOM 439 C CYS A 30 7.881 9.076 1.445 1.00 0.00 C ATOM 440 O CYS A 30 7.541 9.567 2.502 1.00 0.00 O ATOM 441 CB CYS A 30 5.923 8.042 0.275 1.00 0.00 C ATOM 442 SG CYS A 30 4.790 8.384 1.643 1.00 0.00 S ATOM 0 H CYS A 30 7.617 8.134 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 30 6.479 10.103 0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.373 7.998 -0.665 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.396 7.070 0.414 1.00 0.00 H new ATOM 447 N GLN A 31 9.043 8.496 1.308 1.00 0.00 N ATOM 448 CA GLN A 31 9.978 8.426 2.463 1.00 0.00 C ATOM 449 C GLN A 31 10.707 9.763 2.563 1.00 0.00 C ATOM 450 O GLN A 31 11.065 10.214 3.633 1.00 0.00 O ATOM 451 CB GLN A 31 10.989 7.297 2.248 1.00 0.00 C ATOM 452 CG GLN A 31 12.098 7.394 3.298 1.00 0.00 C ATOM 453 CD GLN A 31 12.895 6.090 3.323 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.979 5.396 2.329 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.488 5.722 4.426 1.00 0.00 N ATOM 0 H GLN A 31 9.383 8.069 0.447 1.00 0.00 H new ATOM 0 HA GLN A 31 9.428 8.226 3.382 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.490 6.330 2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.415 7.363 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.758 8.231 3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.667 7.588 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.418 6.304 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.021 4.853 4.453 1.00 0.00 H new ATOM 464 N LYS A 32 10.913 10.405 1.446 1.00 0.00 N ATOM 465 CA LYS A 32 11.601 11.718 1.454 1.00 0.00 C ATOM 466 C LYS A 32 10.721 12.727 2.196 1.00 0.00 C ATOM 467 O LYS A 32 11.104 13.859 2.421 1.00 0.00 O ATOM 468 CB LYS A 32 11.825 12.177 0.008 1.00 0.00 C ATOM 469 CG LYS A 32 12.196 13.660 -0.017 1.00 0.00 C ATOM 470 CD LYS A 32 12.826 14.010 -1.369 1.00 0.00 C ATOM 471 CE LYS A 32 11.796 13.805 -2.482 1.00 0.00 C ATOM 472 NZ LYS A 32 12.257 14.497 -3.719 1.00 0.00 N ATOM 0 H LYS A 32 10.631 10.071 0.525 1.00 0.00 H new ATOM 0 HA LYS A 32 12.566 11.639 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.618 11.587 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.922 12.009 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.308 14.270 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.894 13.884 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.171 15.044 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.700 13.383 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.662 12.741 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.827 14.197 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.557 14.358 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.364 15.514 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.172 14.103 -4.017 1.00 0.00 H new ATOM 486 N ARG A 33 9.540 12.318 2.576 1.00 0.00 N ATOM 487 CA ARG A 33 8.617 13.236 3.302 1.00 0.00 C ATOM 488 C ARG A 33 8.883 13.135 4.806 1.00 0.00 C ATOM 489 O ARG A 33 9.463 12.175 5.269 1.00 0.00 O ATOM 490 CB ARG A 33 7.169 12.824 2.996 1.00 0.00 C ATOM 491 CG ARG A 33 6.625 13.656 1.830 1.00 0.00 C ATOM 492 CD ARG A 33 7.424 13.345 0.562 1.00 0.00 C ATOM 493 NE ARG A 33 6.897 14.164 -0.568 1.00 0.00 N ATOM 494 CZ ARG A 33 6.848 13.662 -1.773 1.00 0.00 C ATOM 495 NH1 ARG A 33 7.953 13.424 -2.426 1.00 0.00 N ATOM 496 NH2 ARG A 33 5.693 13.401 -2.322 1.00 0.00 N ATOM 0 H ARG A 33 9.173 11.380 2.413 1.00 0.00 H new ATOM 0 HA ARG A 33 8.779 14.265 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.128 11.764 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.546 12.969 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.570 13.433 1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.694 14.718 2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.480 13.562 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.349 12.284 0.323 1.00 0.00 H new ATOM 0 HE ARG A 33 6.575 15.117 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.854 13.630 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.915 13.032 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.831 13.589 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.652 13.009 -3.263 1.00 0.00 H new ATOM 510 N PRO A 34 8.455 14.115 5.571 1.00 0.00 N ATOM 511 CA PRO A 34 8.664 14.087 7.041 1.00 0.00 C ATOM 512 C PRO A 34 8.290 12.730 7.633 1.00 0.00 C ATOM 513 O PRO A 34 7.195 12.523 8.115 1.00 0.00 O ATOM 514 CB PRO A 34 7.734 15.210 7.527 1.00 0.00 C ATOM 515 CG PRO A 34 7.053 15.844 6.302 1.00 0.00 C ATOM 516 CD PRO A 34 7.733 15.301 5.041 1.00 0.00 C ATOM 0 HA PRO A 34 9.702 14.233 7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.986 14.812 8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.302 15.961 8.076 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.989 15.606 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.136 16.930 6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.010 15.029 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.413 16.029 4.597 1.00 0.00 H new ATOM 524 N SER A 35 9.196 11.795 7.573 1.00 0.00 N ATOM 525 CA SER A 35 8.909 10.440 8.103 1.00 0.00 C ATOM 526 C SER A 35 7.793 9.812 7.272 1.00 0.00 C ATOM 527 O SER A 35 7.181 8.841 7.666 1.00 0.00 O ATOM 528 CB SER A 35 8.478 10.535 9.569 1.00 0.00 C ATOM 529 OG SER A 35 9.205 11.576 10.207 1.00 0.00 O ATOM 0 H SER A 35 10.128 11.915 7.176 1.00 0.00 H new ATOM 0 HA SER A 35 9.805 9.823 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.408 10.731 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.659 9.587 10.075 1.00 0.00 H new ATOM 0 HG SER A 35 8.929 11.640 11.145 1.00 0.00 H new ATOM 535 N GLY A 36 7.523 10.363 6.119 1.00 0.00 N ATOM 536 CA GLY A 36 6.444 9.797 5.266 1.00 0.00 C ATOM 537 C GLY A 36 6.865 8.424 4.732 1.00 0.00 C ATOM 538 O GLY A 36 7.930 7.927 5.032 1.00 0.00 O ATOM 0 H GLY A 36 8.002 11.177 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.523 9.706 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.234 10.471 4.435 1.00 0.00 H new ATOM 542 N ASN A 37 6.020 7.811 3.948 1.00 0.00 N ATOM 543 CA ASN A 37 6.332 6.464 3.376 1.00 0.00 C ATOM 544 C ASN A 37 5.027 5.851 2.855 1.00 0.00 C ATOM 545 O ASN A 37 3.986 6.012 3.462 1.00 0.00 O ATOM 546 CB ASN A 37 6.936 5.557 4.462 1.00 0.00 C ATOM 547 CG ASN A 37 6.403 5.963 5.838 1.00 0.00 C ATOM 548 OD1 ASN A 37 5.352 6.566 5.941 1.00 0.00 O ATOM 549 ND2 ASN A 37 7.087 5.658 6.906 1.00 0.00 N ATOM 0 H ASN A 37 5.113 8.190 3.674 1.00 0.00 H new ATOM 0 HA ASN A 37 7.055 6.561 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.686 4.516 4.259 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.023 5.632 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.740 5.925 7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.969 5.152 6.820 1.00 0.00 H new ATOM 556 N LEU A 38 5.068 5.172 1.729 1.00 0.00 N ATOM 557 CA LEU A 38 3.826 4.558 1.161 1.00 0.00 C ATOM 558 C LEU A 38 2.776 4.347 2.263 1.00 0.00 C ATOM 559 O LEU A 38 3.089 3.964 3.369 1.00 0.00 O ATOM 560 CB LEU A 38 4.189 3.218 0.526 1.00 0.00 C ATOM 561 CG LEU A 38 4.895 3.466 -0.808 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.605 2.189 -1.269 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.867 3.892 -1.859 1.00 0.00 C ATOM 0 H LEU A 38 5.913 5.018 1.179 1.00 0.00 H new ATOM 0 HA LEU A 38 3.403 5.225 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.837 2.650 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.290 2.621 0.370 1.00 0.00 H new ATOM 0 HG LEU A 38 5.634 4.257 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.105 2.374 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.342 1.893 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.873 1.391 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.370 4.069 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.125 3.103 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.373 4.808 -1.534 1.00 0.00 H new ATOM 575 N VAL A 39 1.536 4.616 1.964 1.00 0.00 N ATOM 576 CA VAL A 39 0.452 4.464 2.983 1.00 0.00 C ATOM 577 C VAL A 39 0.672 3.219 3.849 1.00 0.00 C ATOM 578 O VAL A 39 1.220 2.226 3.414 1.00 0.00 O ATOM 579 CB VAL A 39 -0.897 4.362 2.272 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.794 3.362 1.119 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.971 3.890 3.257 1.00 0.00 C ATOM 0 H VAL A 39 1.221 4.938 1.049 1.00 0.00 H new ATOM 0 HA VAL A 39 0.468 5.337 3.636 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.170 5.343 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.757 3.290 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.036 3.699 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.516 2.383 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.930 3.820 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.698 2.911 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.050 4.603 4.078 1.00 0.00 H new ATOM 591 N SER A 40 0.230 3.282 5.078 1.00 0.00 N ATOM 592 CA SER A 40 0.383 2.126 6.014 1.00 0.00 C ATOM 593 C SER A 40 -0.988 1.470 6.241 1.00 0.00 C ATOM 594 O SER A 40 -1.997 1.947 5.759 1.00 0.00 O ATOM 595 CB SER A 40 0.935 2.643 7.348 1.00 0.00 C ATOM 596 OG SER A 40 0.916 4.064 7.343 1.00 0.00 O ATOM 0 H SER A 40 -0.237 4.096 5.479 1.00 0.00 H new ATOM 0 HA SER A 40 1.067 1.390 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.336 2.262 8.175 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.952 2.282 7.499 1.00 0.00 H new ATOM 0 HG SER A 40 0.530 4.389 8.183 1.00 0.00 H new ATOM 602 N VAL A 41 -1.038 0.383 6.972 1.00 0.00 N ATOM 603 CA VAL A 41 -2.351 -0.289 7.224 1.00 0.00 C ATOM 604 C VAL A 41 -2.207 -1.269 8.401 1.00 0.00 C ATOM 605 O VAL A 41 -1.923 -2.434 8.216 1.00 0.00 O ATOM 606 CB VAL A 41 -2.814 -1.056 5.961 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.154 -0.501 5.479 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.789 -0.913 4.828 1.00 0.00 C ATOM 0 H VAL A 41 -0.230 -0.066 7.403 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.096 0.469 7.467 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.914 -2.109 6.224 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.474 -1.045 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.900 -0.618 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.044 0.556 5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.136 -1.460 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.671 0.141 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.830 -1.318 5.152 1.00 0.00 H new ATOM 618 N LEU A 42 -2.399 -0.801 9.612 1.00 0.00 N ATOM 619 CA LEU A 42 -2.272 -1.703 10.801 1.00 0.00 C ATOM 620 C LEU A 42 -3.624 -1.854 11.503 1.00 0.00 C ATOM 621 O LEU A 42 -3.697 -2.343 12.612 1.00 0.00 O ATOM 622 CB LEU A 42 -1.266 -1.112 11.787 1.00 0.00 C ATOM 623 CG LEU A 42 0.142 -1.271 11.223 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.120 -0.432 12.051 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.558 -2.748 11.262 1.00 0.00 C ATOM 0 H LEU A 42 -2.638 0.167 9.828 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.932 -2.681 10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.484 -0.058 11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.344 -1.616 12.750 1.00 0.00 H new ATOM 0 HG LEU A 42 0.157 -0.928 10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.127 -0.545 11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.827 0.617 12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.103 -0.770 13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.565 -2.853 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.542 -3.103 12.292 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.137 -3.338 10.664 1.00 0.00 H new ATOM 637 N SER A 43 -4.694 -1.440 10.879 1.00 0.00 N ATOM 638 CA SER A 43 -6.029 -1.565 11.538 1.00 0.00 C ATOM 639 C SER A 43 -7.084 -1.974 10.510 1.00 0.00 C ATOM 640 O SER A 43 -7.009 -1.617 9.351 1.00 0.00 O ATOM 641 CB SER A 43 -6.418 -0.222 12.155 1.00 0.00 C ATOM 642 OG SER A 43 -5.298 0.319 12.845 1.00 0.00 O ATOM 0 H SER A 43 -4.704 -1.023 9.948 1.00 0.00 H new ATOM 0 HA SER A 43 -5.973 -2.327 12.316 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.748 0.467 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.255 -0.353 12.841 1.00 0.00 H new ATOM 0 HG SER A 43 -5.543 1.181 13.241 1.00 0.00 H new ATOM 648 N GLY A 44 -8.072 -2.717 10.930 1.00 0.00 N ATOM 649 CA GLY A 44 -9.139 -3.143 9.982 1.00 0.00 C ATOM 650 C GLY A 44 -9.900 -1.911 9.499 1.00 0.00 C ATOM 651 O GLY A 44 -10.561 -1.935 8.481 1.00 0.00 O ATOM 0 H GLY A 44 -8.186 -3.047 11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.700 -3.670 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.821 -3.838 10.471 1.00 0.00 H new ATOM 655 N ALA A 45 -9.805 -0.830 10.225 1.00 0.00 N ATOM 656 CA ALA A 45 -10.513 0.412 9.812 1.00 0.00 C ATOM 657 C ALA A 45 -9.639 1.182 8.822 1.00 0.00 C ATOM 658 O ALA A 45 -10.129 1.847 7.932 1.00 0.00 O ATOM 659 CB ALA A 45 -10.773 1.282 11.043 1.00 0.00 C ATOM 0 H ALA A 45 -9.266 -0.755 11.088 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.462 0.155 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.292 2.192 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.389 0.732 11.754 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.824 1.543 11.511 1.00 0.00 H new ATOM 665 N GLU A 46 -8.345 1.096 8.972 1.00 0.00 N ATOM 666 CA GLU A 46 -7.438 1.820 8.041 1.00 0.00 C ATOM 667 C GLU A 46 -7.463 1.134 6.674 1.00 0.00 C ATOM 668 O GLU A 46 -7.470 1.780 5.646 1.00 0.00 O ATOM 669 CB GLU A 46 -6.013 1.798 8.597 1.00 0.00 C ATOM 670 CG GLU A 46 -5.157 2.823 7.849 1.00 0.00 C ATOM 671 CD GLU A 46 -3.763 2.882 8.478 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.441 1.988 9.242 1.00 0.00 O ATOM 673 OE2 GLU A 46 -3.042 3.821 8.184 1.00 0.00 O ATOM 0 H GLU A 46 -7.878 0.555 9.700 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.770 2.853 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.024 2.026 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.584 0.802 8.488 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.081 2.550 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.628 3.805 7.890 1.00 0.00 H new ATOM 680 N GLY A 47 -7.480 -0.169 6.654 1.00 0.00 N ATOM 681 CA GLY A 47 -7.508 -0.889 5.348 1.00 0.00 C ATOM 682 C GLY A 47 -8.800 -0.537 4.609 1.00 0.00 C ATOM 683 O GLY A 47 -8.833 -0.457 3.397 1.00 0.00 O ATOM 0 H GLY A 47 -7.476 -0.766 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.643 -0.610 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.449 -1.965 5.511 1.00 0.00 H new ATOM 687 N SER A 48 -9.862 -0.312 5.332 1.00 0.00 N ATOM 688 CA SER A 48 -11.150 0.047 4.675 1.00 0.00 C ATOM 689 C SER A 48 -11.153 1.547 4.387 1.00 0.00 C ATOM 690 O SER A 48 -11.746 2.007 3.431 1.00 0.00 O ATOM 691 CB SER A 48 -12.313 -0.299 5.608 1.00 0.00 C ATOM 692 OG SER A 48 -13.381 0.610 5.384 1.00 0.00 O ATOM 0 H SER A 48 -9.894 -0.361 6.350 1.00 0.00 H new ATOM 0 HA SER A 48 -11.261 -0.509 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.647 -1.321 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.988 -0.247 6.647 1.00 0.00 H new ATOM 0 HG SER A 48 -14.128 0.390 5.979 1.00 0.00 H new ATOM 698 N PHE A 49 -10.486 2.314 5.206 1.00 0.00 N ATOM 699 CA PHE A 49 -10.438 3.785 4.982 1.00 0.00 C ATOM 700 C PHE A 49 -9.588 4.076 3.745 1.00 0.00 C ATOM 701 O PHE A 49 -9.994 4.797 2.855 1.00 0.00 O ATOM 702 CB PHE A 49 -9.817 4.469 6.201 1.00 0.00 C ATOM 703 CG PHE A 49 -9.970 5.965 6.073 1.00 0.00 C ATOM 704 CD1 PHE A 49 -11.187 6.576 6.401 1.00 0.00 C ATOM 705 CD2 PHE A 49 -8.896 6.743 5.624 1.00 0.00 C ATOM 706 CE1 PHE A 49 -11.329 7.964 6.282 1.00 0.00 C ATOM 707 CE2 PHE A 49 -9.038 8.130 5.503 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.254 8.741 5.832 1.00 0.00 C ATOM 0 H PHE A 49 -9.971 1.983 6.022 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.448 4.166 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.302 4.120 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.762 4.206 6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.016 5.976 6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.957 6.272 5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -12.267 8.435 6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.209 8.729 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.363 9.811 5.739 1.00 0.00 H new ATOM 718 N VAL A 50 -8.411 3.514 3.678 1.00 0.00 N ATOM 719 CA VAL A 50 -7.543 3.754 2.492 1.00 0.00 C ATOM 720 C VAL A 50 -8.280 3.288 1.237 1.00 0.00 C ATOM 721 O VAL A 50 -8.197 3.902 0.193 1.00 0.00 O ATOM 722 CB VAL A 50 -6.236 2.973 2.639 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.344 3.238 1.424 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.513 3.428 3.910 1.00 0.00 C ATOM 0 H VAL A 50 -8.015 2.901 4.391 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.314 4.817 2.414 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.454 1.907 2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.412 2.682 1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.859 2.918 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.125 4.304 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.581 2.873 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.295 4.494 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.148 3.242 4.776 1.00 0.00 H new ATOM 734 N SER A 51 -9.004 2.206 1.335 1.00 0.00 N ATOM 735 CA SER A 51 -9.750 1.701 0.152 1.00 0.00 C ATOM 736 C SER A 51 -10.696 2.790 -0.353 1.00 0.00 C ATOM 737 O SER A 51 -10.782 3.049 -1.534 1.00 0.00 O ATOM 738 CB SER A 51 -10.561 0.466 0.549 1.00 0.00 C ATOM 739 OG SER A 51 -11.625 0.285 -0.376 1.00 0.00 O ATOM 0 H SER A 51 -9.110 1.651 2.184 1.00 0.00 H new ATOM 0 HA SER A 51 -9.046 1.435 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.920 -0.416 0.561 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.957 0.586 1.557 1.00 0.00 H new ATOM 0 HG SER A 51 -11.693 -0.663 -0.615 1.00 0.00 H new ATOM 745 N SER A 52 -11.409 3.429 0.533 1.00 0.00 N ATOM 746 CA SER A 52 -12.353 4.502 0.105 1.00 0.00 C ATOM 747 C SER A 52 -11.563 5.707 -0.414 1.00 0.00 C ATOM 748 O SER A 52 -12.065 6.507 -1.178 1.00 0.00 O ATOM 749 CB SER A 52 -13.209 4.931 1.296 1.00 0.00 C ATOM 750 OG SER A 52 -12.367 5.468 2.309 1.00 0.00 O ATOM 0 H SER A 52 -11.379 3.255 1.538 1.00 0.00 H new ATOM 0 HA SER A 52 -12.995 4.122 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.941 5.675 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.766 4.079 1.684 1.00 0.00 H new ATOM 0 HG SER A 52 -11.686 4.807 2.553 1.00 0.00 H new ATOM 756 N LEU A 53 -10.332 5.844 -0.005 1.00 0.00 N ATOM 757 CA LEU A 53 -9.512 6.996 -0.471 1.00 0.00 C ATOM 758 C LEU A 53 -9.032 6.726 -1.897 1.00 0.00 C ATOM 759 O LEU A 53 -8.734 7.635 -2.645 1.00 0.00 O ATOM 760 CB LEU A 53 -8.304 7.154 0.470 1.00 0.00 C ATOM 761 CG LEU A 53 -7.194 7.975 -0.199 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.677 9.411 -0.423 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.964 8.002 0.712 1.00 0.00 C ATOM 0 H LEU A 53 -9.858 5.206 0.634 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.104 7.911 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.618 7.643 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.920 6.171 0.744 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.939 7.520 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.886 9.991 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.557 9.403 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.932 9.863 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.174 8.585 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.228 8.457 1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.613 6.984 0.880 1.00 0.00 H new ATOM 775 N VAL A 54 -8.935 5.479 -2.271 1.00 0.00 N ATOM 776 CA VAL A 54 -8.450 5.136 -3.638 1.00 0.00 C ATOM 777 C VAL A 54 -9.511 4.335 -4.399 1.00 0.00 C ATOM 778 O VAL A 54 -9.222 3.693 -5.390 1.00 0.00 O ATOM 779 CB VAL A 54 -7.167 4.316 -3.503 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.157 5.102 -2.667 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.470 2.988 -2.801 1.00 0.00 C ATOM 0 H VAL A 54 -9.172 4.679 -1.685 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.253 6.050 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.760 4.117 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.239 4.523 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.936 6.049 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.574 5.295 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.552 2.408 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.877 3.185 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.197 2.425 -3.386 1.00 0.00 H new ATOM 791 N LYS A 55 -10.736 4.360 -3.946 1.00 0.00 N ATOM 792 CA LYS A 55 -11.809 3.596 -4.648 1.00 0.00 C ATOM 793 C LYS A 55 -12.447 4.476 -5.726 1.00 0.00 C ATOM 794 O LYS A 55 -13.120 3.990 -6.615 1.00 0.00 O ATOM 795 CB LYS A 55 -12.877 3.173 -3.631 1.00 0.00 C ATOM 796 CG LYS A 55 -14.096 2.597 -4.362 1.00 0.00 C ATOM 797 CD LYS A 55 -15.069 1.990 -3.346 1.00 0.00 C ATOM 798 CE LYS A 55 -14.466 0.726 -2.724 1.00 0.00 C ATOM 799 NZ LYS A 55 -15.563 -0.188 -2.301 1.00 0.00 N ATOM 0 H LYS A 55 -11.040 4.876 -3.121 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.379 2.711 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.467 2.429 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.176 4.030 -3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.594 3.381 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.778 1.836 -5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.291 2.717 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.013 1.749 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.819 0.226 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.846 0.989 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.345 -0.582 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.457 0.341 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.655 -0.962 -2.989 1.00 0.00 H new ATOM 896 N SER A 62 -7.004 -0.159 -11.366 1.00 0.00 N ATOM 897 CA SER A 62 -7.687 -1.145 -10.478 1.00 0.00 C ATOM 898 C SER A 62 -6.808 -1.458 -9.269 1.00 0.00 C ATOM 899 O SER A 62 -7.301 -1.748 -8.200 1.00 0.00 O ATOM 900 CB SER A 62 -7.944 -2.433 -11.267 1.00 0.00 C ATOM 901 OG SER A 62 -6.888 -2.630 -12.197 1.00 0.00 O ATOM 0 HA SER A 62 -8.631 -0.725 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.009 -3.283 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.898 -2.369 -11.790 1.00 0.00 H new ATOM 0 HG SER A 62 -6.444 -1.774 -12.374 1.00 0.00 H new ATOM 907 N TYR A 63 -5.513 -1.415 -9.421 1.00 0.00 N ATOM 908 CA TYR A 63 -4.626 -1.734 -8.263 1.00 0.00 C ATOM 909 C TYR A 63 -3.901 -0.478 -7.779 1.00 0.00 C ATOM 910 O TYR A 63 -3.838 0.526 -8.462 1.00 0.00 O ATOM 911 CB TYR A 63 -3.607 -2.793 -8.678 1.00 0.00 C ATOM 912 CG TYR A 63 -4.285 -4.142 -8.753 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.287 -4.370 -9.702 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.908 -5.165 -7.873 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.915 -5.618 -9.770 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.537 -6.414 -7.943 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.540 -6.640 -8.892 1.00 0.00 C ATOM 918 OH TYR A 63 -6.161 -7.872 -8.961 1.00 0.00 O ATOM 0 H TYR A 63 -5.032 -1.175 -10.288 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.238 -2.116 -7.446 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.174 -2.537 -9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.787 -2.825 -7.960 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.576 -3.582 -10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.133 -4.990 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.690 -5.793 -10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.248 -7.203 -7.264 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.636 -8.532 -8.461 1.00 0.00 H new ATOM 928 N VAL A 64 -3.369 -0.528 -6.585 1.00 0.00 N ATOM 929 CA VAL A 64 -2.660 0.656 -6.015 1.00 0.00 C ATOM 930 C VAL A 64 -1.436 0.177 -5.221 1.00 0.00 C ATOM 931 O VAL A 64 -1.450 -0.877 -4.624 1.00 0.00 O ATOM 932 CB VAL A 64 -3.637 1.391 -5.091 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.990 2.646 -4.511 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.882 1.783 -5.889 1.00 0.00 C ATOM 0 H VAL A 64 -3.396 -1.346 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.322 1.326 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.910 0.730 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.700 3.153 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.105 2.368 -3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.702 3.315 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.582 2.307 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.595 2.436 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.357 0.886 -6.286 1.00 0.00 H new ATOM 944 N TRP A 65 -0.373 0.939 -5.212 1.00 0.00 N ATOM 945 CA TRP A 65 0.846 0.509 -4.459 1.00 0.00 C ATOM 946 C TRP A 65 0.728 0.946 -2.994 1.00 0.00 C ATOM 947 O TRP A 65 0.180 1.989 -2.694 1.00 0.00 O ATOM 948 CB TRP A 65 2.091 1.186 -5.056 1.00 0.00 C ATOM 949 CG TRP A 65 2.865 0.271 -5.957 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.476 0.682 -7.090 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.154 -1.160 -5.837 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.116 -0.390 -7.676 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.942 -1.547 -6.951 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.818 -2.154 -4.897 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.373 -2.859 -7.124 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.255 -3.477 -5.072 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.028 -3.829 -6.183 1.00 0.00 C ATOM 0 H TRP A 65 -0.295 1.836 -5.691 1.00 0.00 H new ATOM 0 HA TRP A 65 0.934 -0.575 -4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.787 2.070 -5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.738 1.528 -4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.465 1.691 -7.476 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.653 -0.332 -8.541 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.220 -1.897 -4.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.972 -3.125 -7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.992 -4.229 -4.343 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.357 -4.850 -6.312 1.00 0.00 H new ATOM 968 N ILE A 66 1.276 0.181 -2.082 1.00 0.00 N ATOM 969 CA ILE A 66 1.234 0.585 -0.645 1.00 0.00 C ATOM 970 C ILE A 66 2.603 0.290 -0.022 1.00 0.00 C ATOM 971 O ILE A 66 3.496 -0.204 -0.679 1.00 0.00 O ATOM 972 CB ILE A 66 0.149 -0.188 0.106 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.302 -1.688 -0.144 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.229 0.261 -0.382 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.868 -2.429 0.512 1.00 0.00 C ATOM 0 H ILE A 66 1.749 -0.703 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 66 1.002 1.648 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 66 0.249 0.012 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.322 -1.890 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.248 -2.043 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.002 -0.290 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.350 1.328 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.318 0.065 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.764 -3.500 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.866 -2.235 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.807 -2.080 0.082 1.00 0.00 H new ATOM 987 N GLY A 67 2.787 0.608 1.232 1.00 0.00 N ATOM 988 CA GLY A 67 4.101 0.371 1.878 1.00 0.00 C ATOM 989 C GLY A 67 4.176 -1.032 2.466 1.00 0.00 C ATOM 990 O GLY A 67 4.403 -1.198 3.637 1.00 0.00 O ATOM 0 H GLY A 67 2.077 1.023 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.899 0.506 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.261 1.108 2.665 1.00 0.00 H new ATOM 994 N LEU A 68 4.009 -2.038 1.662 1.00 0.00 N ATOM 995 CA LEU A 68 4.112 -3.434 2.186 1.00 0.00 C ATOM 996 C LEU A 68 5.066 -4.223 1.288 1.00 0.00 C ATOM 997 O LEU A 68 4.937 -4.219 0.079 1.00 0.00 O ATOM 998 CB LEU A 68 2.734 -4.102 2.188 1.00 0.00 C ATOM 999 CG LEU A 68 2.652 -5.151 3.313 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.895 -6.047 3.297 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.556 -4.460 4.677 1.00 0.00 C ATOM 0 H LEU A 68 3.806 -1.961 0.665 1.00 0.00 H new ATOM 0 HA LEU A 68 4.489 -3.414 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.957 -3.350 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.551 -4.577 1.224 1.00 0.00 H new ATOM 0 HG LEU A 68 1.762 -5.758 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.823 -6.783 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.962 -6.560 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.786 -5.436 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.499 -5.213 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.438 -3.839 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.663 -3.836 4.707 1.00 0.00 H new ATOM 1013 N HIS A 69 6.025 -4.906 1.863 1.00 0.00 N ATOM 1014 CA HIS A 69 6.977 -5.693 1.028 1.00 0.00 C ATOM 1015 C HIS A 69 7.258 -7.033 1.693 1.00 0.00 C ATOM 1016 O HIS A 69 6.731 -7.348 2.738 1.00 0.00 O ATOM 1017 CB HIS A 69 8.286 -4.921 0.856 1.00 0.00 C ATOM 1018 CG HIS A 69 9.050 -4.929 2.149 1.00 0.00 C ATOM 1019 ND1 HIS A 69 10.227 -5.641 2.314 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.807 -4.322 3.350 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.643 -5.445 3.578 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.814 -4.647 4.254 1.00 0.00 N ATOM 0 H HIS A 69 6.187 -4.951 2.869 1.00 0.00 H new ATOM 0 HA HIS A 69 6.531 -5.862 0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.885 -5.373 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 69 8.078 -3.895 0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.961 -3.686 3.565 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.539 -5.880 3.995 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.900 -4.341 5.223 1.00 0.00 H new ATOM 1180 N TRP A 82 5.961 -10.291 5.314 1.00 0.00 N ATOM 1181 CA TRP A 82 5.151 -9.091 4.923 1.00 0.00 C ATOM 1182 C TRP A 82 5.306 -7.976 5.966 1.00 0.00 C ATOM 1183 O TRP A 82 4.623 -7.961 6.971 1.00 0.00 O ATOM 1184 CB TRP A 82 3.666 -9.484 4.797 1.00 0.00 C ATOM 1185 CG TRP A 82 3.400 -10.761 5.533 1.00 0.00 C ATOM 1186 CD1 TRP A 82 3.976 -11.956 5.259 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.491 -10.994 6.647 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.485 -12.902 6.140 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.566 -12.359 7.015 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.619 -10.161 7.371 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.804 -12.878 8.062 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.849 -10.679 8.425 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.941 -12.036 8.770 1.00 0.00 C ATOM 0 HA TRP A 82 5.512 -8.723 3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.037 -8.688 5.197 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.402 -9.601 3.746 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.701 -12.140 4.480 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.768 -13.882 6.143 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.541 -9.115 7.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.880 -13.923 8.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.182 -10.029 8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.346 -12.429 9.581 1.00 0.00 H new ATOM 1204 N GLU A 83 6.195 -7.040 5.739 1.00 0.00 N ATOM 1205 CA GLU A 83 6.385 -5.931 6.725 1.00 0.00 C ATOM 1206 C GLU A 83 5.996 -4.598 6.083 1.00 0.00 C ATOM 1207 O GLU A 83 6.270 -4.349 4.928 1.00 0.00 O ATOM 1208 CB GLU A 83 7.855 -5.879 7.160 1.00 0.00 C ATOM 1209 CG GLU A 83 8.130 -4.565 7.898 1.00 0.00 C ATOM 1210 CD GLU A 83 9.438 -4.683 8.683 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.415 -5.278 9.748 1.00 0.00 O ATOM 1212 OE2 GLU A 83 10.440 -4.178 8.206 1.00 0.00 O ATOM 0 H GLU A 83 6.796 -6.996 4.916 1.00 0.00 H new ATOM 0 HA GLU A 83 5.754 -6.110 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.082 -6.725 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.505 -5.961 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.194 -3.742 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.307 -4.337 8.575 1.00 0.00 H new ATOM 1219 N TRP A 84 5.366 -3.737 6.832 1.00 0.00 N ATOM 1220 CA TRP A 84 4.964 -2.422 6.284 1.00 0.00 C ATOM 1221 C TRP A 84 6.167 -1.486 6.323 1.00 0.00 C ATOM 1222 O TRP A 84 6.761 -1.268 7.361 1.00 0.00 O ATOM 1223 CB TRP A 84 3.825 -1.834 7.129 1.00 0.00 C ATOM 1224 CG TRP A 84 3.101 -2.937 7.834 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.591 -3.646 8.877 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.768 -3.466 7.571 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.653 -4.585 9.258 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.512 -4.513 8.485 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.771 -3.145 6.635 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.311 -5.219 8.472 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.441 -3.852 6.618 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.670 -4.888 7.535 1.00 0.00 C ATOM 0 H TRP A 84 5.113 -3.894 7.808 1.00 0.00 H new ATOM 0 HA TRP A 84 4.618 -2.540 5.257 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.225 -1.126 7.855 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.134 -1.281 6.492 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.558 -3.501 9.336 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.787 -5.251 10.019 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.938 -2.349 5.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.140 -6.016 9.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.202 -3.597 5.895 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.604 -5.429 7.517 1.00 0.00 H new ATOM 1243 N SER A 85 6.527 -0.924 5.210 1.00 0.00 N ATOM 1244 CA SER A 85 7.685 0.004 5.200 1.00 0.00 C ATOM 1245 C SER A 85 7.210 1.367 5.677 1.00 0.00 C ATOM 1246 O SER A 85 7.962 2.320 5.738 1.00 0.00 O ATOM 1247 CB SER A 85 8.255 0.113 3.788 1.00 0.00 C ATOM 1248 OG SER A 85 7.189 0.290 2.863 1.00 0.00 O ATOM 0 H SER A 85 6.072 -1.066 4.308 1.00 0.00 H new ATOM 0 HA SER A 85 8.469 -0.369 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.948 0.952 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.820 -0.786 3.541 1.00 0.00 H new ATOM 0 HG SER A 85 7.554 0.520 1.983 1.00 0.00 H new ATOM 1288 N VAL A 89 5.292 -3.390 12.176 1.00 0.00 N ATOM 1289 CA VAL A 89 5.336 -4.877 12.058 1.00 0.00 C ATOM 1290 C VAL A 89 3.943 -5.397 11.696 1.00 0.00 C ATOM 1291 O VAL A 89 2.988 -4.651 11.632 1.00 0.00 O ATOM 1292 CB VAL A 89 5.777 -5.478 13.397 1.00 0.00 C ATOM 1293 CG1 VAL A 89 5.845 -7.005 13.286 1.00 0.00 C ATOM 1294 CG2 VAL A 89 7.161 -4.932 13.766 1.00 0.00 C ATOM 0 HA VAL A 89 6.044 -5.164 11.280 1.00 0.00 H new ATOM 0 HB VAL A 89 5.056 -5.207 14.168 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.159 -7.426 14.241 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.862 -7.395 13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.563 -7.282 12.514 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.478 -5.357 14.718 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.878 -5.203 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.113 -3.846 13.852 1.00 0.00 H new ATOM 1304 N MET A 90 3.824 -6.671 11.452 1.00 0.00 N ATOM 1305 CA MET A 90 2.499 -7.245 11.084 1.00 0.00 C ATOM 1306 C MET A 90 1.519 -7.108 12.250 1.00 0.00 C ATOM 1307 O MET A 90 1.348 -8.022 13.032 1.00 0.00 O ATOM 1308 CB MET A 90 2.668 -8.725 10.744 1.00 0.00 C ATOM 1309 CG MET A 90 3.590 -8.871 9.533 1.00 0.00 C ATOM 1310 SD MET A 90 3.894 -10.628 9.216 1.00 0.00 S ATOM 1311 CE MET A 90 5.386 -10.787 10.227 1.00 0.00 C ATOM 0 H MET A 90 4.590 -7.343 11.492 1.00 0.00 H new ATOM 0 HA MET A 90 2.106 -6.705 10.223 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.085 -9.259 11.598 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.697 -9.173 10.531 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.136 -8.406 8.658 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.533 -8.355 9.715 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.752 -11.812 10.176 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.153 -10.109 9.853 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.153 -10.536 11.262 1.00 0.00 H new ATOM 1321 N ASN A 91 0.847 -5.989 12.359 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.145 -5.826 13.461 1.00 0.00 C ATOM 1323 C ASN A 91 -1.540 -5.993 12.857 1.00 0.00 C ATOM 1324 O ASN A 91 -2.541 -5.945 13.545 1.00 0.00 O ATOM 1325 CB ASN A 91 -0.001 -4.435 14.099 1.00 0.00 C ATOM 1326 CG ASN A 91 0.124 -4.572 15.620 1.00 0.00 C ATOM 1327 OD1 ASN A 91 1.120 -4.182 16.197 1.00 0.00 O ATOM 1328 ND2 ASN A 91 -0.852 -5.113 16.295 1.00 0.00 N ATOM 0 H ASN A 91 0.943 -5.187 11.736 1.00 0.00 H new ATOM 0 HA ASN A 91 0.021 -6.570 14.240 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.877 -3.930 13.697 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.865 -3.819 13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.780 -5.209 17.308 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.688 -5.440 15.810 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.602 -6.203 11.567 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.918 -6.393 10.896 1.00 0.00 C ATOM 1337 C TYR A 92 -2.751 -7.367 9.726 1.00 0.00 C ATOM 1338 O TYR A 92 -1.670 -7.530 9.196 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.433 -5.049 10.376 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.765 -5.245 9.685 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.834 -5.841 10.371 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.931 -4.834 8.356 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.063 -6.023 9.727 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.162 -5.017 7.715 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.227 -5.612 8.398 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.439 -5.794 7.764 1.00 0.00 O ATOM 0 H TYR A 92 -0.792 -6.251 10.949 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.635 -6.797 11.610 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.541 -4.346 11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.713 -4.617 9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.708 -6.159 11.395 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.109 -4.376 7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.886 -6.481 10.255 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.289 -4.698 6.691 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.383 -5.453 6.847 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.810 -8.021 9.319 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.706 -8.992 8.185 1.00 0.00 C ATOM 1358 C PHE A 93 -4.876 -8.789 7.214 1.00 0.00 C ATOM 1359 O PHE A 93 -5.983 -8.492 7.620 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.747 -10.419 8.736 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.828 -10.523 9.785 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -6.157 -10.737 9.401 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -4.501 -10.409 11.142 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -7.159 -10.834 10.374 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -5.503 -10.505 12.115 1.00 0.00 C ATOM 1366 CZ PHE A 93 -6.832 -10.718 11.730 1.00 0.00 C ATOM 0 H PHE A 93 -4.742 -7.925 9.722 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.768 -8.827 7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.939 -11.126 7.929 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.781 -10.682 9.167 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.409 -10.827 8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.475 -10.247 11.438 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -8.185 -10.998 10.078 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.251 -10.415 13.161 1.00 0.00 H new ATOM 0 HZ PHE A 93 -7.606 -10.793 12.480 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.644 -8.954 5.936 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.753 -8.776 4.949 1.00 0.00 C ATOM 1378 C ALA A 94 -5.283 -9.176 3.542 1.00 0.00 C ATOM 1379 O ALA A 94 -5.844 -8.752 2.551 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.205 -7.310 4.945 1.00 0.00 C ATOM 0 H ALA A 94 -3.740 -9.203 5.535 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.588 -9.415 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.013 -7.180 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.557 -7.035 5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.366 -6.671 4.667 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.267 -9.990 3.441 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.782 -10.414 2.093 1.00 0.00 C ATOM 1388 C TRP A 95 -4.756 -11.448 1.516 1.00 0.00 C ATOM 1389 O TRP A 95 -5.465 -12.113 2.245 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.385 -11.032 2.221 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.238 -11.671 3.566 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -1.549 -11.144 4.604 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -2.783 -12.938 4.037 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -1.634 -12.007 5.681 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -2.384 -13.127 5.382 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.574 -13.933 3.435 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -2.757 -14.261 6.103 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -3.952 -15.076 4.158 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -3.545 -15.239 5.489 1.00 0.00 C ATOM 0 H TRP A 95 -3.752 -10.380 4.231 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.729 -9.550 1.430 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.231 -11.773 1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.623 -10.264 2.087 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.019 -10.203 4.593 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.196 -11.837 6.586 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.893 -13.817 2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.439 -14.383 7.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.560 -15.834 3.686 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.840 -16.120 6.040 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.803 -11.589 0.215 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.742 -12.582 -0.390 1.00 0.00 C ATOM 1412 C GLU A 96 -4.989 -13.874 -0.717 1.00 0.00 C ATOM 1413 O GLU A 96 -5.569 -14.940 -0.789 1.00 0.00 O ATOM 1414 CB GLU A 96 -6.345 -12.007 -1.670 1.00 0.00 C ATOM 1415 CG GLU A 96 -7.491 -12.901 -2.153 1.00 0.00 C ATOM 1416 CD GLU A 96 -8.647 -12.837 -1.154 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -9.096 -11.738 -0.867 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -9.064 -13.886 -0.692 1.00 0.00 O ATOM 0 H GLU A 96 -4.236 -11.063 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.539 -12.798 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.712 -10.997 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.579 -11.933 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.829 -12.576 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.144 -13.929 -2.258 1.00 0.00 H new ATOM 1564 N HIS A 107 7.745 -9.006 -4.361 1.00 0.00 N ATOM 1565 CA HIS A 107 8.206 -8.632 -2.994 1.00 0.00 C ATOM 1566 C HIS A 107 7.509 -7.340 -2.556 1.00 0.00 C ATOM 1567 O HIS A 107 7.949 -6.662 -1.650 1.00 0.00 O ATOM 1568 CB HIS A 107 9.726 -8.428 -2.999 1.00 0.00 C ATOM 1569 CG HIS A 107 10.362 -9.431 -3.921 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.580 -10.745 -3.546 1.00 0.00 N ATOM 1571 CD2 HIS A 107 10.833 -9.330 -5.206 1.00 0.00 C ATOM 1572 CE1 HIS A 107 11.157 -11.369 -4.589 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.334 -10.553 -5.624 1.00 0.00 N ATOM 0 HA HIS A 107 7.956 -9.431 -2.295 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.967 -7.416 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.123 -8.542 -1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.816 -8.430 -5.803 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.443 -12.410 -4.586 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.748 -10.778 -6.529 1.00 0.00 H new ATOM 1581 N CYS A 108 6.419 -7.002 -3.192 1.00 0.00 N ATOM 1582 CA CYS A 108 5.679 -5.761 -2.816 1.00 0.00 C ATOM 1583 C CYS A 108 4.178 -6.030 -2.908 1.00 0.00 C ATOM 1584 O CYS A 108 3.731 -6.808 -3.726 1.00 0.00 O ATOM 1585 CB CYS A 108 6.058 -4.627 -3.767 1.00 0.00 C ATOM 1586 SG CYS A 108 7.735 -4.068 -3.391 1.00 0.00 S ATOM 0 H CYS A 108 6.007 -7.534 -3.959 1.00 0.00 H new ATOM 0 HA CYS A 108 5.939 -5.472 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.999 -4.969 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.355 -3.800 -3.664 1.00 0.00 H new ATOM 1591 N ALA A 109 3.391 -5.404 -2.068 1.00 0.00 N ATOM 1592 CA ALA A 109 1.917 -5.643 -2.106 1.00 0.00 C ATOM 1593 C ALA A 109 1.179 -4.389 -2.591 1.00 0.00 C ATOM 1594 O ALA A 109 1.613 -3.268 -2.393 1.00 0.00 O ATOM 1595 CB ALA A 109 1.422 -6.021 -0.704 1.00 0.00 C ATOM 0 H ALA A 109 3.705 -4.740 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 109 1.713 -6.458 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.346 -6.195 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.928 -6.928 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.640 -5.209 -0.010 1.00 0.00 H new ATOM 1601 N SER A 110 0.056 -4.590 -3.226 1.00 0.00 N ATOM 1602 CA SER A 110 -0.756 -3.454 -3.747 1.00 0.00 C ATOM 1603 C SER A 110 -2.232 -3.760 -3.480 1.00 0.00 C ATOM 1604 O SER A 110 -2.592 -4.883 -3.192 1.00 0.00 O ATOM 1605 CB SER A 110 -0.531 -3.310 -5.256 1.00 0.00 C ATOM 1606 OG SER A 110 -0.202 -4.580 -5.805 1.00 0.00 O ATOM 0 H SER A 110 -0.340 -5.512 -3.409 1.00 0.00 H new ATOM 0 HA SER A 110 -0.465 -2.526 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.428 -2.916 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.272 -2.598 -5.449 1.00 0.00 H new ATOM 0 HG SER A 110 -0.059 -4.492 -6.770 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.090 -2.786 -3.583 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.534 -3.052 -3.342 1.00 0.00 C ATOM 1614 C LEU A 111 -5.147 -3.561 -4.645 1.00 0.00 C ATOM 1615 O LEU A 111 -4.714 -3.204 -5.719 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.238 -1.756 -2.916 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.695 -1.278 -1.553 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.357 0.214 -1.616 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.754 -1.497 -0.471 1.00 0.00 C ATOM 0 H LEU A 111 -2.856 -1.822 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.653 -3.792 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.081 -0.984 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.313 -1.923 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.796 -1.847 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.975 0.542 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.600 0.384 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.255 0.780 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.367 -1.158 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.652 -0.931 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.999 -2.557 -0.411 1.00 0.00 H new ATOM 1631 N SER A 112 -6.134 -4.409 -4.558 1.00 0.00 N ATOM 1632 CA SER A 112 -6.767 -4.965 -5.794 1.00 0.00 C ATOM 1633 C SER A 112 -8.227 -4.516 -5.877 1.00 0.00 C ATOM 1634 O SER A 112 -9.028 -4.813 -5.013 1.00 0.00 O ATOM 1635 CB SER A 112 -6.716 -6.491 -5.736 1.00 0.00 C ATOM 1636 OG SER A 112 -5.433 -6.902 -5.284 1.00 0.00 O ATOM 0 H SER A 112 -6.533 -4.744 -3.681 1.00 0.00 H new ATOM 0 HA SER A 112 -6.228 -4.604 -6.670 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.488 -6.867 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.919 -6.911 -6.721 1.00 0.00 H new ATOM 0 HG SER A 112 -4.741 -6.450 -5.810 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.582 -3.804 -6.912 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.997 -3.343 -7.042 1.00 0.00 C ATOM 1644 C ARG A 113 -10.932 -4.555 -7.101 1.00 0.00 C ATOM 1645 O ARG A 113 -12.121 -4.442 -6.880 1.00 0.00 O ATOM 1646 CB ARG A 113 -10.155 -2.521 -8.323 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.635 -2.199 -8.545 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.767 -1.114 -9.615 1.00 0.00 C ATOM 1649 NE ARG A 113 -13.186 -1.030 -10.064 1.00 0.00 N ATOM 1650 CZ ARG A 113 -13.567 -0.059 -10.849 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -13.667 1.155 -10.383 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -13.847 -0.304 -12.100 1.00 0.00 N ATOM 0 H ARG A 113 -7.959 -3.522 -7.669 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.253 -2.728 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.579 -1.599 -8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.761 -3.076 -9.174 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.171 -3.096 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.089 -1.862 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.443 -0.153 -9.216 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.119 -1.342 -10.461 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.860 -1.732 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.448 1.346 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.965 1.914 -10.996 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.768 -1.254 -12.464 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.145 0.454 -12.714 1.00 0.00 H new ATOM 1666 N SER A 114 -10.408 -5.713 -7.402 1.00 0.00 N ATOM 1667 CA SER A 114 -11.275 -6.924 -7.478 1.00 0.00 C ATOM 1668 C SER A 114 -11.931 -7.174 -6.120 1.00 0.00 C ATOM 1669 O SER A 114 -12.964 -7.808 -6.026 1.00 0.00 O ATOM 1670 CB SER A 114 -10.424 -8.135 -7.862 1.00 0.00 C ATOM 1671 OG SER A 114 -9.382 -8.297 -6.909 1.00 0.00 O ATOM 0 H SER A 114 -9.420 -5.872 -7.598 1.00 0.00 H new ATOM 0 HA SER A 114 -12.049 -6.767 -8.229 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.042 -9.032 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.003 -7.997 -8.858 1.00 0.00 H new ATOM 0 HG SER A 114 -8.835 -9.074 -7.151 1.00 0.00 H new ATOM 1677 N THR A 115 -11.336 -6.679 -5.068 1.00 0.00 N ATOM 1678 CA THR A 115 -11.914 -6.881 -3.706 1.00 0.00 C ATOM 1679 C THR A 115 -12.246 -5.522 -3.088 1.00 0.00 C ATOM 1680 O THR A 115 -12.218 -5.353 -1.885 1.00 0.00 O ATOM 1681 CB THR A 115 -10.891 -7.607 -2.828 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.670 -6.881 -2.835 1.00 0.00 O ATOM 1683 CG2 THR A 115 -10.656 -9.019 -3.375 1.00 0.00 C ATOM 0 H THR A 115 -10.470 -6.141 -5.093 1.00 0.00 H new ATOM 0 HA THR A 115 -12.823 -7.478 -3.777 1.00 0.00 H new ATOM 0 HB THR A 115 -11.267 -7.677 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.226 -6.996 -3.701 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.928 -9.535 -2.749 1.00 0.00 H new ATOM 0 HG22 THR A 115 -11.595 -9.572 -3.370 1.00 0.00 H new ATOM 0 HG23 THR A 115 -10.278 -8.956 -4.395 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.556 -4.551 -3.904 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.885 -3.200 -3.367 1.00 0.00 C ATOM 1693 C ALA A 116 -11.665 -2.628 -2.639 1.00 0.00 C ATOM 1694 O ALA A 116 -11.790 -1.892 -1.682 1.00 0.00 O ATOM 1695 CB ALA A 116 -14.062 -3.311 -2.392 1.00 0.00 C ATOM 0 H ALA A 116 -12.596 -4.635 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.158 -2.538 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.303 -2.323 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.929 -3.716 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.792 -3.973 -1.569 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.489 -2.964 -3.094 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.250 -2.448 -2.444 1.00 0.00 C ATOM 1703 C PHE A 117 -9.217 -2.884 -0.980 1.00 0.00 C ATOM 1704 O PHE A 117 -8.630 -2.228 -0.141 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.220 -0.917 -2.519 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.433 -0.471 -3.945 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.338 -0.343 -4.808 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.723 -0.180 -4.403 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.535 0.077 -6.129 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -10.919 0.238 -5.724 1.00 0.00 C ATOM 1711 CZ PHE A 117 -9.825 0.367 -6.588 1.00 0.00 C ATOM 0 H PHE A 117 -10.332 -3.578 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.382 -2.852 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.995 -0.497 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.264 -0.544 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.342 -0.568 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.567 -0.278 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.690 0.177 -6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -11.915 0.461 -6.077 1.00 0.00 H new ATOM 0 HZ PHE A 117 -9.976 0.690 -7.607 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.842 -3.984 -0.665 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.850 -4.468 0.747 1.00 0.00 C ATOM 1723 C LEU A 118 -8.890 -5.650 0.890 1.00 0.00 C ATOM 1724 O LEU A 118 -8.876 -6.330 1.897 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.266 -4.913 1.119 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.194 -3.694 1.183 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.631 -4.166 1.420 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.764 -2.764 2.328 1.00 0.00 C ATOM 0 H LEU A 118 -10.350 -4.572 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.532 -3.663 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.638 -5.626 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.255 -5.424 2.082 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.135 -3.148 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.295 -3.303 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.940 -4.817 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.683 -4.715 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.429 -1.901 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.816 -3.303 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.741 -2.427 2.158 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.086 -5.903 -0.108 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.125 -7.042 -0.029 1.00 0.00 C ATOM 1742 C ARG A 119 -5.783 -6.625 -0.640 1.00 0.00 C ATOM 1743 O ARG A 119 -5.715 -5.713 -1.440 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.701 -8.244 -0.789 1.00 0.00 C ATOM 1745 CG ARG A 119 -7.385 -8.133 -2.294 1.00 0.00 C ATOM 1746 CD ARG A 119 -6.042 -8.806 -2.622 1.00 0.00 C ATOM 1747 NE ARG A 119 -6.291 -9.967 -3.528 1.00 0.00 N ATOM 1748 CZ ARG A 119 -5.883 -9.937 -4.769 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -6.475 -9.157 -5.631 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -4.887 -10.689 -5.146 1.00 0.00 N ATOM 0 H ARG A 119 -8.053 -5.369 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.967 -7.319 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.282 -9.168 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.780 -8.293 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.182 -8.600 -2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.352 -7.084 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.370 -8.093 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.554 -9.140 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.783 -10.788 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.256 -8.571 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.157 -9.133 -6.600 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.426 -11.301 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.568 -10.666 -6.115 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.716 -7.283 -0.266 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.378 -6.920 -0.824 1.00 0.00 C ATOM 1766 C TRP A 120 -2.888 -8.024 -1.763 1.00 0.00 C ATOM 1767 O TRP A 120 -2.947 -9.194 -1.445 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.375 -6.761 0.319 1.00 0.00 C ATOM 1769 CG TRP A 120 -2.984 -5.957 1.419 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.632 -4.781 1.262 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.010 -6.253 2.843 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.055 -4.336 2.501 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.695 -5.210 3.508 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.510 -7.317 3.611 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.877 -5.224 4.892 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.690 -7.334 5.001 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.372 -6.291 5.641 1.00 0.00 C ATOM 0 H TRP A 120 -4.713 -8.055 0.401 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.466 -5.984 -1.376 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.079 -7.741 0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.471 -6.272 -0.044 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -3.793 -4.272 0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.570 -3.469 2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -1.984 -8.127 3.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.404 -4.417 5.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.300 -8.157 5.582 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.508 -6.311 6.712 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.388 -7.654 -2.915 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.875 -8.674 -3.879 1.00 0.00 C ATOM 1790 C LYS A 121 -0.394 -8.418 -4.133 1.00 0.00 C ATOM 1791 O LYS A 121 0.060 -7.293 -4.141 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.637 -8.568 -5.201 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.229 -9.726 -6.118 1.00 0.00 C ATOM 1794 CD LYS A 121 -2.875 -9.544 -7.493 1.00 0.00 C ATOM 1795 CE LYS A 121 -2.484 -10.713 -8.399 1.00 0.00 C ATOM 1796 NZ LYS A 121 -2.908 -10.419 -9.797 1.00 0.00 N ATOM 0 H LYS A 121 -2.313 -6.687 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.016 -9.671 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.711 -8.596 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.421 -7.614 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.144 -9.760 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.540 -10.675 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.959 -9.494 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.552 -8.602 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.407 -10.873 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -2.955 -11.632 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.736 -11.252 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.922 -10.187 -9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.363 -9.612 -10.163 1.00 0.00 H new ATOM 1810 N ASP A 122 0.366 -9.458 -4.331 1.00 0.00 N ATOM 1811 CA ASP A 122 1.819 -9.271 -4.572 1.00 0.00 C ATOM 1812 C ASP A 122 2.050 -8.801 -6.012 1.00 0.00 C ATOM 1813 O ASP A 122 1.321 -9.158 -6.915 1.00 0.00 O ATOM 1814 CB ASP A 122 2.549 -10.595 -4.343 1.00 0.00 C ATOM 1815 CG ASP A 122 2.114 -11.609 -5.403 1.00 0.00 C ATOM 1816 OD1 ASP A 122 2.392 -11.375 -6.568 1.00 0.00 O ATOM 1817 OD2 ASP A 122 1.509 -12.601 -5.032 1.00 0.00 O ATOM 0 H ASP A 122 0.043 -10.426 -4.336 1.00 0.00 H new ATOM 0 HA ASP A 122 2.204 -8.519 -3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 122 3.627 -10.441 -4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 122 2.327 -10.977 -3.347 1.00 0.00 H new ATOM 1822 N TYR A 123 3.062 -8.002 -6.236 1.00 0.00 N ATOM 1823 CA TYR A 123 3.333 -7.515 -7.620 1.00 0.00 C ATOM 1824 C TYR A 123 4.813 -7.124 -7.750 1.00 0.00 C ATOM 1825 O TYR A 123 5.484 -6.857 -6.772 1.00 0.00 O ATOM 1826 CB TYR A 123 2.440 -6.297 -7.912 1.00 0.00 C ATOM 1827 CG TYR A 123 1.568 -6.577 -9.116 1.00 0.00 C ATOM 1828 CD1 TYR A 123 2.030 -6.265 -10.401 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.302 -7.148 -8.946 1.00 0.00 C ATOM 1830 CE1 TYR A 123 1.224 -6.524 -11.515 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -0.506 -7.406 -10.060 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.044 -7.094 -11.345 1.00 0.00 C ATOM 1833 OH TYR A 123 -0.839 -7.349 -12.443 1.00 0.00 O ATOM 0 H TYR A 123 3.710 -7.667 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 123 3.112 -8.305 -8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 123 1.818 -6.075 -7.045 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.057 -5.418 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 123 3.008 -5.825 -10.532 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -0.052 -7.390 -7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 123 1.580 -6.284 -12.506 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.484 -7.845 -9.929 1.00 0.00 H new ATOM 0 HH TYR A 123 -1.685 -7.746 -12.149 1.00 0.00 H new ATOM 1843 N ASN A 124 5.325 -7.096 -8.954 1.00 0.00 N ATOM 1844 CA ASN A 124 6.759 -6.730 -9.156 1.00 0.00 C ATOM 1845 C ASN A 124 7.041 -5.368 -8.516 1.00 0.00 C ATOM 1846 O ASN A 124 6.504 -4.358 -8.921 1.00 0.00 O ATOM 1847 CB ASN A 124 7.059 -6.661 -10.653 1.00 0.00 C ATOM 1848 CG ASN A 124 6.629 -7.968 -11.321 1.00 0.00 C ATOM 1849 OD1 ASN A 124 5.671 -7.995 -12.069 1.00 0.00 O ATOM 1850 ND2 ASN A 124 7.300 -9.061 -11.082 1.00 0.00 N ATOM 0 H ASN A 124 4.810 -7.311 -9.808 1.00 0.00 H new ATOM 0 HA ASN A 124 7.393 -7.484 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.531 -5.820 -11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.124 -6.491 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.021 -9.938 -11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.104 -9.039 -10.455 1.00 0.00 H new ATOM 1857 N CYS A 125 7.880 -5.340 -7.517 1.00 0.00 N ATOM 1858 CA CYS A 125 8.205 -4.053 -6.831 1.00 0.00 C ATOM 1859 C CYS A 125 8.569 -2.965 -7.845 1.00 0.00 C ATOM 1860 O CYS A 125 8.789 -1.829 -7.479 1.00 0.00 O ATOM 1861 CB CYS A 125 9.399 -4.267 -5.899 1.00 0.00 C ATOM 1862 SG CYS A 125 8.903 -5.289 -4.493 1.00 0.00 S ATOM 0 H CYS A 125 8.359 -6.159 -7.142 1.00 0.00 H new ATOM 0 HA CYS A 125 7.327 -3.734 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.213 -4.748 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.774 -3.306 -5.547 1.00 0.00 H new ATOM 1867 N ASN A 126 8.663 -3.292 -9.107 1.00 0.00 N ATOM 1868 CA ASN A 126 9.047 -2.251 -10.110 1.00 0.00 C ATOM 1869 C ASN A 126 7.818 -1.738 -10.869 1.00 0.00 C ATOM 1870 O ASN A 126 7.768 -0.590 -11.261 1.00 0.00 O ATOM 1871 CB ASN A 126 10.047 -2.846 -11.102 1.00 0.00 C ATOM 1872 CG ASN A 126 11.312 -3.276 -10.358 1.00 0.00 C ATOM 1873 OD1 ASN A 126 11.340 -3.215 -9.054 1.00 0.00 O flip ATOM 1874 ND2 ASN A 126 12.285 -3.672 -10.968 1.00 0.00 N flip ATOM 0 H ASN A 126 8.493 -4.224 -9.485 1.00 0.00 H new ATOM 0 HA ASN A 126 9.499 -1.412 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.604 -3.702 -11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.295 -2.112 -11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.264 -3.720 -11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.123 -3.957 -10.462 1.00 0.00 H new ATOM 1881 N VAL A 127 6.822 -2.557 -11.079 1.00 0.00 N ATOM 1882 CA VAL A 127 5.619 -2.058 -11.808 1.00 0.00 C ATOM 1883 C VAL A 127 5.126 -0.822 -11.062 1.00 0.00 C ATOM 1884 O VAL A 127 4.974 -0.848 -9.858 1.00 0.00 O ATOM 1885 CB VAL A 127 4.530 -3.138 -11.814 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.169 -2.508 -12.127 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.860 -4.185 -12.884 1.00 0.00 C ATOM 0 H VAL A 127 6.788 -3.533 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 127 5.860 -1.815 -12.843 1.00 0.00 H new ATOM 0 HB VAL A 127 4.490 -3.610 -10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.402 -3.282 -12.129 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.930 -1.762 -11.369 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.206 -2.031 -13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.088 -4.954 -12.891 1.00 0.00 H new ATOM 0 HG22 VAL A 127 4.903 -3.705 -13.862 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.825 -4.641 -12.661 1.00 0.00 H new ATOM 1897 N ARG A 128 4.915 0.278 -11.737 1.00 0.00 N ATOM 1898 CA ARG A 128 4.490 1.483 -10.996 1.00 0.00 C ATOM 1899 C ARG A 128 2.990 1.520 -10.857 1.00 0.00 C ATOM 1900 O ARG A 128 2.286 1.028 -11.717 1.00 0.00 O ATOM 1901 CB ARG A 128 4.954 2.708 -11.788 1.00 0.00 C ATOM 1902 CG ARG A 128 6.407 2.509 -12.223 1.00 0.00 C ATOM 1903 CD ARG A 128 6.976 3.838 -12.726 1.00 0.00 C ATOM 1904 NE ARG A 128 8.266 3.591 -13.429 1.00 0.00 N ATOM 1905 CZ ARG A 128 9.006 4.597 -13.805 1.00 0.00 C ATOM 1906 NH1 ARG A 128 9.654 5.300 -12.918 1.00 0.00 N ATOM 1907 NH2 ARG A 128 9.098 4.901 -15.072 1.00 0.00 N ATOM 0 H ARG A 128 5.018 0.386 -12.746 1.00 0.00 H new ATOM 0 HA ARG A 128 4.926 1.473 -9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.318 2.853 -12.661 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.865 3.606 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.001 2.140 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.462 1.756 -13.010 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.267 4.317 -13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.130 4.520 -11.890 1.00 0.00 H new ATOM 0 HE ARG A 128 8.570 2.636 -13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.583 5.063 -11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.232 6.086 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.591 4.352 -15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 128 9.676 5.688 -15.367 1.00 0.00 H new ATOM 1921 N LEU A 129 2.456 2.086 -9.792 1.00 0.00 N ATOM 1922 CA LEU A 129 0.950 2.072 -9.725 1.00 0.00 C ATOM 1923 C LEU A 129 0.462 3.331 -9.065 1.00 0.00 C ATOM 1924 O LEU A 129 1.198 3.927 -8.301 1.00 0.00 O ATOM 1925 CB LEU A 129 0.501 0.878 -8.868 1.00 0.00 C ATOM 1926 CG LEU A 129 0.432 -0.408 -9.710 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.323 -1.485 -9.083 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -1.009 -0.912 -9.741 1.00 0.00 C ATOM 0 H LEU A 129 2.953 2.527 -9.018 1.00 0.00 H new ATOM 0 HA LEU A 129 0.545 1.998 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.196 0.738 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.477 1.085 -8.433 1.00 0.00 H new ATOM 0 HG LEU A 129 0.775 -0.195 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.271 -2.394 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.353 -1.131 -9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.979 -1.698 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.063 -1.823 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.343 -1.122 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.651 -0.151 -10.184 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.760 3.736 -9.253 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.229 4.920 -8.514 1.00 0.00 C ATOM 1942 C PRO A 130 -1.042 4.605 -7.028 1.00 0.00 C ATOM 1943 O PRO A 130 -1.218 3.471 -6.632 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.708 5.007 -8.910 1.00 0.00 C ATOM 1945 CG PRO A 130 -3.021 3.855 -9.882 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.725 3.081 -10.170 1.00 0.00 C ATOM 0 HA PRO A 130 -0.714 5.858 -8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.342 4.939 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.919 5.967 -9.380 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.769 3.190 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.440 4.247 -10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.830 2.017 -9.958 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.421 3.170 -11.213 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.633 5.528 -6.204 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.403 5.132 -4.780 1.00 0.00 C ATOM 1956 C TYR A 131 -0.804 6.222 -3.796 1.00 0.00 C ATOM 1957 O TYR A 131 -1.182 7.313 -4.170 1.00 0.00 O ATOM 1958 CB TYR A 131 1.086 4.846 -4.599 1.00 0.00 C ATOM 1959 CG TYR A 131 1.865 6.131 -4.769 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.025 6.684 -6.045 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.421 6.769 -3.653 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.743 7.874 -6.206 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.140 7.959 -3.815 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.301 8.512 -5.091 1.00 0.00 C ATOM 1965 OH TYR A 131 4.009 9.686 -5.251 1.00 0.00 O ATOM 0 H TYR A 131 -0.452 6.504 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 131 -1.019 4.256 -4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.270 4.424 -3.611 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.418 4.107 -5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.594 6.192 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.295 6.343 -2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.867 8.301 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.571 8.451 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 131 4.327 9.997 -4.378 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.688 5.921 -2.523 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.026 6.928 -1.479 1.00 0.00 C ATOM 1977 C VAL A 132 0.227 7.161 -0.636 1.00 0.00 C ATOM 1978 O VAL A 132 1.111 6.329 -0.597 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.160 6.396 -0.600 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.442 7.385 0.535 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.424 6.228 -1.447 1.00 0.00 C ATOM 0 H VAL A 132 -0.373 5.019 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.354 7.862 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.867 5.434 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.250 7.002 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.544 7.510 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.733 8.348 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.233 5.849 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.711 7.192 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.229 5.523 -2.255 1.00 0.00 H new ATOM 1991 N CYS A 133 0.330 8.282 0.019 1.00 0.00 N ATOM 1992 CA CYS A 133 1.556 8.546 0.832 1.00 0.00 C ATOM 1993 C CYS A 133 1.186 9.222 2.154 1.00 0.00 C ATOM 1994 O CYS A 133 0.456 10.189 2.181 1.00 0.00 O ATOM 1995 CB CYS A 133 2.483 9.463 0.031 1.00 0.00 C ATOM 1996 SG CYS A 133 3.818 10.063 1.093 1.00 0.00 S ATOM 0 H CYS A 133 -0.372 9.022 0.030 1.00 0.00 H new ATOM 0 HA CYS A 133 2.054 7.602 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.898 8.923 -0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.919 10.305 -0.370 1.00 0.00 H new ATOM 2001 N LYS A 134 1.702 8.722 3.254 1.00 0.00 N ATOM 2002 CA LYS A 134 1.392 9.342 4.577 1.00 0.00 C ATOM 2003 C LYS A 134 2.584 10.203 5.010 1.00 0.00 C ATOM 2004 O LYS A 134 3.697 9.983 4.580 1.00 0.00 O ATOM 2005 CB LYS A 134 1.128 8.238 5.614 1.00 0.00 C ATOM 2006 CG LYS A 134 2.421 7.865 6.349 1.00 0.00 C ATOM 2007 CD LYS A 134 2.201 6.575 7.151 1.00 0.00 C ATOM 2008 CE LYS A 134 3.172 6.526 8.335 1.00 0.00 C ATOM 2009 NZ LYS A 134 2.840 5.359 9.199 1.00 0.00 N ATOM 0 H LYS A 134 2.323 7.913 3.289 1.00 0.00 H new ATOM 0 HA LYS A 134 0.502 9.967 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.381 8.577 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.718 7.358 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.232 7.727 5.633 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.719 8.674 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.173 6.531 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.352 5.707 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.198 6.446 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.107 7.449 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 3.718 4.928 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 2.261 5.676 10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 2.309 4.657 8.645 1.00 0.00 H new ATOM 2023 N PHE A 135 2.362 11.181 5.848 1.00 0.00 N ATOM 2024 CA PHE A 135 3.499 12.051 6.289 1.00 0.00 C ATOM 2025 C PHE A 135 2.997 13.095 7.288 1.00 0.00 C ATOM 2026 O PHE A 135 2.067 13.828 7.016 1.00 0.00 O ATOM 2027 CB PHE A 135 4.102 12.773 5.081 1.00 0.00 C ATOM 2028 CG PHE A 135 3.014 13.498 4.323 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.682 14.814 4.664 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.341 12.854 3.275 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.677 15.488 3.959 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.335 13.528 2.570 1.00 0.00 C ATOM 2033 CZ PHE A 135 1.004 14.844 2.912 1.00 0.00 C ATOM 0 H PHE A 135 1.452 11.416 6.245 1.00 0.00 H new ATOM 0 HA PHE A 135 4.257 11.424 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.862 13.481 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.598 12.056 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 135 3.201 15.310 5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.598 11.839 3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 135 1.421 16.504 4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.815 13.032 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 135 0.229 15.364 2.368 1.00 0.00 H new