USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 508 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 5 TYR OH : rot 31:sc= 0.749 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.22) USER MOD Single : A 13 THR OG1 : rot 80:sc= 0.83 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0945) USER MOD Single : A 16 CYS SG : rot -100:sc= -0.386 USER MOD Single : A 18 THR OG1 : rot -170:sc= -0.0553 USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.12 K(o=1.1,f=-1.6) USER MOD Single : A 26 MET CE :methyl -121:sc= -0.711 (180deg=-0.977) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 34 SER OG : rot 64:sc= 1.23 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.16) USER MOD Single : A 38 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 58 ASN : amide:sc= -0.72 K(o=-0.72,f=-4.5!) USER MOD Single : A 60 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.21) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 3.848 13.324 -4.239 1.00 0.00 N ATOM 81 CA TYR A 5 2.972 14.473 -4.250 1.00 0.00 C ATOM 82 C TYR A 5 3.237 15.462 -3.109 1.00 0.00 C ATOM 83 O TYR A 5 2.504 16.401 -2.990 1.00 0.00 O ATOM 84 CB TYR A 5 1.491 14.060 -4.193 1.00 0.00 C ATOM 85 CG TYR A 5 1.008 13.128 -5.286 1.00 0.00 C ATOM 86 CD1 TYR A 5 0.683 11.810 -4.985 1.00 0.00 C ATOM 87 CD2 TYR A 5 0.848 13.557 -6.610 1.00 0.00 C ATOM 88 CE1 TYR A 5 0.213 10.950 -5.951 1.00 0.00 C ATOM 89 CE2 TYR A 5 0.385 12.692 -7.575 1.00 0.00 C ATOM 90 CZ TYR A 5 0.067 11.392 -7.242 1.00 0.00 C ATOM 91 OH TYR A 5 -0.421 10.536 -8.206 1.00 0.00 O ATOM 0 HA TYR A 5 3.191 14.973 -5.193 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.306 13.582 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.883 14.964 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.802 11.454 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.090 14.575 -6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.040 9.932 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.271 13.031 -8.594 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.042 9.900 -7.794 1.00 0.00 H new ATOM 101 N SER A 6 4.269 15.274 -2.286 1.00 0.00 N ATOM 102 CA SER A 6 4.524 16.198 -1.157 1.00 0.00 C ATOM 103 C SER A 6 4.677 17.656 -1.646 1.00 0.00 C ATOM 104 O SER A 6 4.110 18.578 -1.051 1.00 0.00 O ATOM 105 CB SER A 6 5.755 15.757 -0.348 1.00 0.00 C ATOM 106 OG SER A 6 5.910 16.519 0.841 1.00 0.00 O ATOM 0 H SER A 6 4.937 14.507 -2.368 1.00 0.00 H new ATOM 0 HA SER A 6 3.657 16.159 -0.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.662 14.701 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.649 15.859 -0.963 1.00 0.00 H new ATOM 0 HG SER A 6 6.702 16.208 1.328 1.00 0.00 H new ATOM 112 N SER A 7 5.383 17.845 -2.759 1.00 0.00 N ATOM 113 CA SER A 7 5.556 19.166 -3.363 1.00 0.00 C ATOM 114 C SER A 7 4.190 19.738 -3.776 1.00 0.00 C ATOM 115 O SER A 7 3.933 20.943 -3.699 1.00 0.00 O ATOM 116 CB SER A 7 6.427 19.022 -4.618 1.00 0.00 C ATOM 117 OG SER A 7 7.629 18.327 -4.331 1.00 0.00 O ATOM 0 H SER A 7 5.849 17.092 -3.266 1.00 0.00 H new ATOM 0 HA SER A 7 6.026 19.835 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.872 18.490 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.661 20.009 -5.017 1.00 0.00 H new ATOM 0 HG SER A 7 8.164 18.248 -5.148 1.00 0.00 H new ATOM 123 N LEU A 8 3.318 18.845 -4.153 1.00 0.00 N ATOM 124 CA LEU A 8 2.030 19.164 -4.689 1.00 0.00 C ATOM 125 C LEU A 8 1.058 19.435 -3.539 1.00 0.00 C ATOM 126 O LEU A 8 0.333 20.412 -3.563 1.00 0.00 O ATOM 127 CB LEU A 8 1.608 17.980 -5.604 1.00 0.00 C ATOM 128 CG LEU A 8 0.488 18.185 -6.625 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.410 16.980 -7.516 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.822 18.324 -5.950 1.00 0.00 C ATOM 0 H LEU A 8 3.493 17.842 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 8 2.038 20.071 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.494 17.656 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.314 17.154 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 8 0.707 19.089 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.387 17.119 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.360 16.849 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.200 16.096 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.603 18.469 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.033 17.422 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.797 19.184 -5.280 1.00 0.00 H new ATOM 142 N LEU A 9 1.104 18.597 -2.523 1.00 0.00 N ATOM 143 CA LEU A 9 0.297 18.717 -1.344 1.00 0.00 C ATOM 144 C LEU A 9 0.621 20.015 -0.603 1.00 0.00 C ATOM 145 O LEU A 9 -0.274 20.684 -0.049 1.00 0.00 O ATOM 146 CB LEU A 9 0.565 17.506 -0.467 1.00 0.00 C ATOM 147 CG LEU A 9 0.134 16.136 -1.017 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.416 15.046 -0.008 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.333 16.126 -1.421 1.00 0.00 C ATOM 0 H LEU A 9 1.728 17.790 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.759 18.753 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.635 17.467 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.062 17.661 0.488 1.00 0.00 H new ATOM 0 HG LEU A 9 0.722 15.943 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.104 14.084 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.484 15.019 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.136 15.248 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.598 15.141 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.951 16.356 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.502 16.874 -2.195 1.00 0.00 H new ATOM 161 N GLY A 10 1.896 20.381 -0.625 1.00 0.00 N ATOM 162 CA GLY A 10 2.331 21.633 -0.052 1.00 0.00 C ATOM 163 C GLY A 10 1.735 22.817 -0.792 1.00 0.00 C ATOM 164 O GLY A 10 1.363 23.818 -0.181 1.00 0.00 O ATOM 0 H GLY A 10 2.643 19.822 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.041 21.675 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.419 21.692 -0.085 1.00 0.00 H new ATOM 168 N LYS A 11 1.604 22.678 -2.105 1.00 0.00 N ATOM 169 CA LYS A 11 1.048 23.683 -2.948 1.00 0.00 C ATOM 170 C LYS A 11 -0.478 23.738 -2.763 1.00 0.00 C ATOM 171 O LYS A 11 -1.085 24.815 -2.797 1.00 0.00 O ATOM 172 CB LYS A 11 1.428 23.354 -4.389 1.00 0.00 C ATOM 173 CG LYS A 11 0.883 24.300 -5.414 1.00 0.00 C ATOM 174 CD LYS A 11 1.377 25.736 -5.219 1.00 0.00 C ATOM 175 CE LYS A 11 2.882 25.862 -5.410 1.00 0.00 C ATOM 176 NZ LYS A 11 3.352 27.249 -5.218 1.00 0.00 N ATOM 0 H LYS A 11 1.893 21.838 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 11 1.440 24.667 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.515 23.340 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.079 22.348 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.167 23.955 -6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.206 24.286 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.868 26.392 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.111 26.076 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.393 25.206 -4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.150 25.524 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.362 27.242 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.215 27.787 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.810 27.696 -4.451 1.00 0.00 H new ATOM 190 N ILE A 12 -1.085 22.581 -2.547 1.00 0.00 N ATOM 191 CA ILE A 12 -2.512 22.492 -2.278 1.00 0.00 C ATOM 192 C ILE A 12 -2.842 23.239 -1.006 1.00 0.00 C ATOM 193 O ILE A 12 -3.695 24.119 -1.001 1.00 0.00 O ATOM 194 CB ILE A 12 -3.000 21.028 -2.135 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.799 20.260 -3.435 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.464 20.988 -1.712 1.00 0.00 C ATOM 197 CD1 ILE A 12 -3.266 18.824 -3.370 1.00 0.00 C ATOM 0 H ILE A 12 -0.605 21.681 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.023 22.936 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.404 20.547 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.334 20.771 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.741 20.277 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.787 19.951 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.580 21.493 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.074 21.491 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.091 18.341 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.713 18.296 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.331 18.798 -3.139 1.00 0.00 H new ATOM 209 N THR A 13 -2.135 22.918 0.049 1.00 0.00 N ATOM 210 CA THR A 13 -2.348 23.530 1.342 1.00 0.00 C ATOM 211 C THR A 13 -2.072 25.050 1.295 1.00 0.00 C ATOM 212 O THR A 13 -2.679 25.833 2.017 1.00 0.00 O ATOM 213 CB THR A 13 -1.453 22.848 2.394 1.00 0.00 C ATOM 214 OG1 THR A 13 -1.669 21.416 2.332 1.00 0.00 O ATOM 215 CG2 THR A 13 -1.794 23.349 3.790 1.00 0.00 C ATOM 0 H THR A 13 -1.391 22.221 0.037 1.00 0.00 H new ATOM 0 HA THR A 13 -3.393 23.395 1.620 1.00 0.00 H new ATOM 0 HB THR A 13 -0.410 23.084 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.161 21.041 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.152 22.856 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.638 24.427 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.837 23.123 4.013 1.00 0.00 H new ATOM 223 N GLU A 14 -1.223 25.434 0.383 1.00 0.00 N ATOM 224 CA GLU A 14 -0.799 26.772 0.208 1.00 0.00 C ATOM 225 C GLU A 14 -1.881 27.611 -0.445 1.00 0.00 C ATOM 226 O GLU A 14 -2.227 28.696 0.023 1.00 0.00 O ATOM 227 CB GLU A 14 0.395 26.714 -0.701 1.00 0.00 C ATOM 228 CG GLU A 14 1.083 28.000 -0.957 1.00 0.00 C ATOM 229 CD GLU A 14 2.229 27.828 -1.922 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.238 27.206 -1.551 1.00 0.00 O ATOM 231 OE2 GLU A 14 2.156 28.323 -3.061 1.00 0.00 O ATOM 0 H GLU A 14 -0.797 24.787 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.569 27.228 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.117 26.018 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.078 26.298 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.372 28.721 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.455 28.409 -0.017 1.00 0.00 H new ATOM 238 N LYS A 15 -2.401 27.106 -1.523 1.00 0.00 N ATOM 239 CA LYS A 15 -3.317 27.825 -2.317 1.00 0.00 C ATOM 240 C LYS A 15 -4.714 27.620 -1.886 1.00 0.00 C ATOM 241 O LYS A 15 -5.477 28.564 -1.721 1.00 0.00 O ATOM 242 CB LYS A 15 -3.190 27.362 -3.734 1.00 0.00 C ATOM 243 CG LYS A 15 -2.478 28.331 -4.644 1.00 0.00 C ATOM 244 CD LYS A 15 -1.014 28.435 -4.269 1.00 0.00 C ATOM 245 CE LYS A 15 -0.317 29.546 -5.012 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.739 30.886 -4.537 1.00 0.00 N ATOM 0 H LYS A 15 -2.190 26.170 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.083 28.885 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.657 26.412 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.187 27.173 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.572 28.002 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.947 29.313 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.926 28.606 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.517 27.489 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.761 29.442 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.528 29.457 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.119 31.612 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.722 31.064 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.673 30.923 -3.500 1.00 0.00 H new ATOM 260 N CYS A 16 -5.035 26.412 -1.656 1.00 0.00 N ATOM 261 CA CYS A 16 -6.338 26.033 -1.450 1.00 0.00 C ATOM 262 C CYS A 16 -6.567 25.868 0.007 1.00 0.00 C ATOM 263 O CYS A 16 -7.527 26.375 0.539 1.00 0.00 O ATOM 264 CB CYS A 16 -6.546 24.731 -2.179 1.00 0.00 C ATOM 265 SG CYS A 16 -6.213 24.818 -3.956 1.00 0.00 S ATOM 0 H CYS A 16 -4.363 25.646 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.040 26.780 -1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.901 23.972 -1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.575 24.403 -2.029 1.00 0.00 H new ATOM 0 HG CYS A 16 -7.335 24.927 -4.603 1.00 0.00 H new ATOM 271 N GLY A 17 -5.653 25.211 0.663 1.00 0.00 N ATOM 272 CA GLY A 17 -5.854 24.934 2.027 1.00 0.00 C ATOM 273 C GLY A 17 -5.756 23.476 2.319 1.00 0.00 C ATOM 274 O GLY A 17 -4.876 23.028 3.032 1.00 0.00 O ATOM 0 H GLY A 17 -4.778 24.868 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.115 25.473 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.835 25.300 2.331 1.00 0.00 H new ATOM 278 N THR A 18 -6.641 22.740 1.739 1.00 0.00 N ATOM 279 CA THR A 18 -6.758 21.308 1.954 1.00 0.00 C ATOM 280 C THR A 18 -7.192 20.643 0.658 1.00 0.00 C ATOM 281 O THR A 18 -7.446 21.348 -0.340 1.00 0.00 O ATOM 282 CB THR A 18 -7.826 21.021 3.034 1.00 0.00 C ATOM 283 OG1 THR A 18 -9.082 21.587 2.620 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.418 21.630 4.362 1.00 0.00 C ATOM 0 H THR A 18 -7.328 23.111 1.083 1.00 0.00 H new ATOM 0 HA THR A 18 -5.794 20.918 2.279 1.00 0.00 H new ATOM 0 HB THR A 18 -7.921 19.942 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.719 21.548 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.182 21.418 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.468 21.202 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.310 22.709 4.250 1.00 0.00 H new ATOM 292 N GLN A 19 -7.312 19.311 0.666 1.00 0.00 N ATOM 293 CA GLN A 19 -7.759 18.558 -0.510 1.00 0.00 C ATOM 294 C GLN A 19 -9.218 18.898 -0.799 1.00 0.00 C ATOM 295 O GLN A 19 -9.666 18.863 -1.940 1.00 0.00 O ATOM 296 CB GLN A 19 -7.643 17.049 -0.283 1.00 0.00 C ATOM 297 CG GLN A 19 -6.277 16.572 0.163 1.00 0.00 C ATOM 298 CD GLN A 19 -6.240 15.076 0.363 1.00 0.00 C ATOM 299 OE1 GLN A 19 -5.839 14.357 -0.643 1.00 0.00 O flip ATOM 300 NE2 GLN A 19 -6.550 14.573 1.444 1.00 0.00 N flip ATOM 0 H GLN A 19 -7.105 18.730 1.478 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.123 18.834 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.377 16.752 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.906 16.536 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.532 16.857 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.005 17.069 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.861 15.167 2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.496 13.562 1.570 1.00 0.00 H new ATOM 309 N TYR A 20 -9.938 19.226 0.261 1.00 0.00 N ATOM 310 CA TYR A 20 -11.325 19.631 0.198 1.00 0.00 C ATOM 311 C TYR A 20 -11.429 20.898 -0.591 1.00 0.00 C ATOM 312 O TYR A 20 -12.106 20.965 -1.591 1.00 0.00 O ATOM 313 CB TYR A 20 -11.839 19.897 1.604 1.00 0.00 C ATOM 314 CG TYR A 20 -13.311 20.230 1.675 1.00 0.00 C ATOM 315 CD1 TYR A 20 -14.263 19.269 1.406 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.741 21.504 2.012 1.00 0.00 C ATOM 317 CE1 TYR A 20 -15.607 19.557 1.466 1.00 0.00 C ATOM 318 CE2 TYR A 20 -15.087 21.804 2.078 1.00 0.00 C ATOM 319 CZ TYR A 20 -16.016 20.821 1.803 1.00 0.00 C ATOM 320 OH TYR A 20 -17.362 21.111 1.861 1.00 0.00 O ATOM 0 H TYR A 20 -9.562 19.217 1.209 1.00 0.00 H new ATOM 0 HA TYR A 20 -11.912 18.842 -0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.647 19.019 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.271 20.721 2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.947 18.270 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.013 22.273 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -16.336 18.791 1.249 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.410 22.800 2.343 1.00 0.00 H new ATOM 0 HH TYR A 20 -17.484 22.050 2.115 1.00 0.00 H new ATOM 330 N ASN A 21 -10.736 21.888 -0.117 1.00 0.00 N ATOM 331 CA ASN A 21 -10.683 23.211 -0.741 1.00 0.00 C ATOM 332 C ASN A 21 -10.184 23.109 -2.184 1.00 0.00 C ATOM 333 O ASN A 21 -10.676 23.804 -3.072 1.00 0.00 O ATOM 334 CB ASN A 21 -9.736 24.099 0.035 1.00 0.00 C ATOM 335 CG ASN A 21 -10.191 24.483 1.443 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.003 23.808 2.068 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.616 25.534 1.963 1.00 0.00 N ATOM 0 H ASN A 21 -10.174 21.816 0.731 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.688 23.632 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.773 23.594 0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.574 25.013 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.838 25.817 2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.945 26.072 1.414 1.00 0.00 H new ATOM 344 N PHE A 22 -9.195 22.239 -2.387 1.00 0.00 N ATOM 345 CA PHE A 22 -8.624 21.937 -3.710 1.00 0.00 C ATOM 346 C PHE A 22 -9.734 21.489 -4.618 1.00 0.00 C ATOM 347 O PHE A 22 -9.914 22.013 -5.726 1.00 0.00 O ATOM 348 CB PHE A 22 -7.630 20.791 -3.560 1.00 0.00 C ATOM 349 CG PHE A 22 -6.822 20.442 -4.790 1.00 0.00 C ATOM 350 CD1 PHE A 22 -7.092 19.288 -5.507 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.786 21.249 -5.210 1.00 0.00 C ATOM 352 CE1 PHE A 22 -6.344 18.948 -6.615 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.035 20.915 -6.323 1.00 0.00 C ATOM 354 CZ PHE A 22 -5.314 19.764 -7.024 1.00 0.00 C ATOM 0 H PHE A 22 -8.758 21.714 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.129 22.818 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.938 21.041 -2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.177 19.902 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.901 18.644 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.558 22.152 -4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.566 18.043 -7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.229 21.559 -6.642 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.727 19.502 -7.892 1.00 0.00 H new ATOM 364 N ALA A 23 -10.482 20.527 -4.116 1.00 0.00 N ATOM 365 CA ALA A 23 -11.625 19.979 -4.795 1.00 0.00 C ATOM 366 C ALA A 23 -12.603 21.099 -5.157 1.00 0.00 C ATOM 367 O ALA A 23 -12.972 21.245 -6.313 1.00 0.00 O ATOM 368 CB ALA A 23 -12.333 18.985 -3.896 1.00 0.00 C ATOM 0 H ALA A 23 -10.304 20.100 -3.207 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.284 19.479 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.198 18.574 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.649 18.177 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.663 19.487 -2.987 1.00 0.00 H new ATOM 374 N ILE A 24 -12.972 21.910 -4.146 1.00 0.00 N ATOM 375 CA ILE A 24 -13.911 23.027 -4.286 1.00 0.00 C ATOM 376 C ILE A 24 -13.507 23.946 -5.435 1.00 0.00 C ATOM 377 O ILE A 24 -14.308 24.240 -6.330 1.00 0.00 O ATOM 378 CB ILE A 24 -13.934 23.877 -2.992 1.00 0.00 C ATOM 379 CG1 ILE A 24 -14.245 23.015 -1.772 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.932 25.033 -3.097 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.585 22.339 -1.774 1.00 0.00 C ATOM 0 H ILE A 24 -12.617 21.801 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.893 22.598 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.938 24.302 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.473 22.250 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.176 23.640 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.921 25.608 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.653 25.680 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.933 24.635 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.699 21.754 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -16.372 23.091 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.659 21.680 -2.639 1.00 0.00 H new ATOM 393 N ALA A 25 -12.253 24.357 -5.418 1.00 0.00 N ATOM 394 CA ALA A 25 -11.718 25.285 -6.398 1.00 0.00 C ATOM 395 C ALA A 25 -11.669 24.676 -7.798 1.00 0.00 C ATOM 396 O ALA A 25 -11.769 25.389 -8.803 1.00 0.00 O ATOM 397 CB ALA A 25 -10.345 25.758 -5.968 1.00 0.00 C ATOM 0 H ALA A 25 -11.573 24.055 -4.720 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.391 26.141 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.951 26.454 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.419 26.259 -5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.676 24.902 -5.882 1.00 0.00 H new ATOM 403 N MET A 26 -11.518 23.373 -7.866 1.00 0.00 N ATOM 404 CA MET A 26 -11.491 22.675 -9.142 1.00 0.00 C ATOM 405 C MET A 26 -12.887 22.293 -9.623 1.00 0.00 C ATOM 406 O MET A 26 -13.069 21.936 -10.785 1.00 0.00 O ATOM 407 CB MET A 26 -10.587 21.437 -9.091 1.00 0.00 C ATOM 408 CG MET A 26 -9.099 21.748 -9.124 1.00 0.00 C ATOM 409 SD MET A 26 -8.069 20.271 -9.304 1.00 0.00 S ATOM 410 CE MET A 26 -8.559 19.679 -10.932 1.00 0.00 C ATOM 0 H MET A 26 -11.411 22.768 -7.052 1.00 0.00 H new ATOM 0 HA MET A 26 -11.073 23.376 -9.864 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.809 20.876 -8.183 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.830 20.789 -9.933 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.894 22.429 -9.950 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.822 22.267 -8.207 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.955 18.667 -10.847 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.326 20.336 -11.342 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.693 19.675 -11.594 1.00 0.00 H new ATOM 420 N GLY A 27 -13.864 22.383 -8.744 1.00 0.00 N ATOM 421 CA GLY A 27 -15.218 21.995 -9.096 1.00 0.00 C ATOM 422 C GLY A 27 -15.433 20.508 -8.879 1.00 0.00 C ATOM 423 O GLY A 27 -16.310 19.885 -9.486 1.00 0.00 O ATOM 0 H GLY A 27 -13.750 22.718 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.930 22.560 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.412 22.246 -10.139 1.00 0.00 H new ATOM 427 N LEU A 28 -14.641 19.953 -8.008 1.00 0.00 N ATOM 428 CA LEU A 28 -14.661 18.547 -7.694 1.00 0.00 C ATOM 429 C LEU A 28 -15.139 18.348 -6.271 1.00 0.00 C ATOM 430 O LEU A 28 -15.347 19.311 -5.537 1.00 0.00 O ATOM 431 CB LEU A 28 -13.246 17.978 -7.804 1.00 0.00 C ATOM 432 CG LEU A 28 -12.581 18.008 -9.173 1.00 0.00 C ATOM 433 CD1 LEU A 28 -11.138 17.597 -9.044 1.00 0.00 C ATOM 434 CD2 LEU A 28 -13.275 17.054 -10.100 1.00 0.00 C ATOM 0 H LEU A 28 -13.943 20.477 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.329 18.041 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.609 18.524 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.273 16.942 -7.466 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.645 19.020 -9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.664 17.619 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.622 18.286 -8.376 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.082 16.587 -8.637 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.793 17.081 -11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.215 16.044 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.321 17.343 -10.203 1.00 0.00 H new ATOM 446 N SER A 29 -15.292 17.121 -5.885 1.00 0.00 N ATOM 447 CA SER A 29 -15.635 16.796 -4.535 1.00 0.00 C ATOM 448 C SER A 29 -14.381 16.200 -3.905 1.00 0.00 C ATOM 449 O SER A 29 -13.517 15.691 -4.642 1.00 0.00 O ATOM 450 CB SER A 29 -16.807 15.809 -4.505 1.00 0.00 C ATOM 451 OG SER A 29 -17.306 15.634 -3.184 1.00 0.00 O ATOM 0 H SER A 29 -15.182 16.313 -6.498 1.00 0.00 H new ATOM 0 HA SER A 29 -15.959 17.675 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.606 16.171 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.485 14.847 -4.904 1.00 0.00 H new ATOM 0 HG SER A 29 -18.054 15.001 -3.198 1.00 0.00 H new ATOM 457 N GLU A 30 -14.261 16.267 -2.578 1.00 0.00 N ATOM 458 CA GLU A 30 -13.044 15.836 -1.876 1.00 0.00 C ATOM 459 C GLU A 30 -12.667 14.394 -2.217 1.00 0.00 C ATOM 460 O GLU A 30 -11.505 14.103 -2.499 1.00 0.00 O ATOM 461 CB GLU A 30 -13.186 15.999 -0.360 1.00 0.00 C ATOM 462 CG GLU A 30 -11.900 15.714 0.421 1.00 0.00 C ATOM 463 CD GLU A 30 -12.100 15.689 1.920 1.00 0.00 C ATOM 464 OE1 GLU A 30 -11.750 16.672 2.614 1.00 0.00 O ATOM 465 OE2 GLU A 30 -12.597 14.658 2.446 1.00 0.00 O ATOM 0 H GLU A 30 -14.995 16.617 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.239 16.485 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.512 17.016 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.970 15.330 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.494 14.755 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.158 16.473 0.174 1.00 0.00 H new ATOM 472 N ARG A 31 -13.643 13.508 -2.238 1.00 0.00 N ATOM 473 CA ARG A 31 -13.373 12.113 -2.529 1.00 0.00 C ATOM 474 C ARG A 31 -13.007 11.919 -3.984 1.00 0.00 C ATOM 475 O ARG A 31 -12.141 11.125 -4.311 1.00 0.00 O ATOM 476 CB ARG A 31 -14.550 11.269 -2.194 1.00 0.00 C ATOM 477 CG ARG A 31 -14.172 9.816 -2.063 1.00 0.00 C ATOM 478 CD ARG A 31 -15.341 8.973 -1.694 1.00 0.00 C ATOM 479 NE ARG A 31 -14.968 7.564 -1.607 1.00 0.00 N ATOM 480 CZ ARG A 31 -15.792 6.553 -1.331 1.00 0.00 C ATOM 481 NH1 ARG A 31 -17.072 6.782 -1.035 1.00 0.00 N ATOM 482 NH2 ARG A 31 -15.323 5.313 -1.328 1.00 0.00 N ATOM 0 H ARG A 31 -14.623 13.726 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.527 11.807 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.993 11.616 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.310 11.380 -2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.752 9.463 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.394 9.709 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -15.745 9.305 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.131 9.098 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.989 7.332 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.429 7.738 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.694 6.002 -0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.340 5.139 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.946 4.533 -1.118 1.00 0.00 H new ATOM 496 N THR A 32 -13.638 12.691 -4.830 1.00 0.00 N ATOM 497 CA THR A 32 -13.396 12.652 -6.278 1.00 0.00 C ATOM 498 C THR A 32 -11.941 13.036 -6.545 1.00 0.00 C ATOM 499 O THR A 32 -11.242 12.432 -7.369 1.00 0.00 O ATOM 500 CB THR A 32 -14.340 13.633 -6.996 1.00 0.00 C ATOM 501 OG1 THR A 32 -15.682 13.385 -6.562 1.00 0.00 O ATOM 502 CG2 THR A 32 -14.261 13.476 -8.509 1.00 0.00 C ATOM 0 H THR A 32 -14.341 13.374 -4.548 1.00 0.00 H new ATOM 0 HA THR A 32 -13.587 11.648 -6.656 1.00 0.00 H new ATOM 0 HB THR A 32 -14.037 14.650 -6.747 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.292 14.006 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.940 14.184 -8.984 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.242 13.671 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.544 12.460 -8.785 1.00 0.00 H new ATOM 510 N VAL A 33 -11.498 14.021 -5.812 1.00 0.00 N ATOM 511 CA VAL A 33 -10.151 14.447 -5.801 1.00 0.00 C ATOM 512 C VAL A 33 -9.280 13.408 -5.279 1.00 0.00 C ATOM 513 O VAL A 33 -8.250 13.140 -5.843 1.00 0.00 O ATOM 514 CB VAL A 33 -10.043 15.706 -4.968 1.00 0.00 C ATOM 515 CG1 VAL A 33 -8.658 16.138 -4.736 1.00 0.00 C ATOM 516 CG2 VAL A 33 -10.609 16.724 -5.740 1.00 0.00 C ATOM 0 H VAL A 33 -12.098 14.560 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.831 14.656 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.518 15.512 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.656 17.046 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.115 15.352 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.174 16.337 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.562 17.665 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.058 16.821 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.650 16.481 -5.956 1.00 0.00 H new ATOM 526 N SER A 34 -9.720 12.763 -4.264 1.00 0.00 N ATOM 527 CA SER A 34 -8.908 11.812 -3.650 1.00 0.00 C ATOM 528 C SER A 34 -8.727 10.543 -4.534 1.00 0.00 C ATOM 529 O SER A 34 -7.888 9.706 -4.261 1.00 0.00 O ATOM 530 CB SER A 34 -9.387 11.491 -2.248 1.00 0.00 C ATOM 531 OG SER A 34 -9.412 12.672 -1.448 1.00 0.00 O ATOM 0 H SER A 34 -10.643 12.885 -3.848 1.00 0.00 H new ATOM 0 HA SER A 34 -7.915 12.249 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.383 11.051 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.730 10.750 -1.793 1.00 0.00 H new ATOM 0 HG SER A 34 -10.061 13.305 -1.820 1.00 0.00 H new ATOM 537 N LEU A 35 -9.540 10.419 -5.579 1.00 0.00 N ATOM 538 CA LEU A 35 -9.383 9.346 -6.539 1.00 0.00 C ATOM 539 C LEU A 35 -8.246 9.709 -7.491 1.00 0.00 C ATOM 540 O LEU A 35 -7.280 8.936 -7.675 1.00 0.00 O ATOM 541 CB LEU A 35 -10.668 9.177 -7.360 1.00 0.00 C ATOM 542 CG LEU A 35 -11.957 8.958 -6.580 1.00 0.00 C ATOM 543 CD1 LEU A 35 -13.146 8.908 -7.518 1.00 0.00 C ATOM 544 CD2 LEU A 35 -11.884 7.694 -5.760 1.00 0.00 C ATOM 0 H LEU A 35 -10.314 11.053 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.168 8.418 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.793 10.064 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.531 8.332 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.085 9.800 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.058 8.751 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.219 9.849 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.018 8.088 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.817 7.561 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.726 6.841 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.056 7.765 -5.054 1.00 0.00 H new ATOM 556 N LYS A 36 -8.368 10.912 -8.064 1.00 0.00 N ATOM 557 CA LYS A 36 -7.452 11.453 -9.049 1.00 0.00 C ATOM 558 C LYS A 36 -6.114 11.824 -8.471 1.00 0.00 C ATOM 559 O LYS A 36 -5.074 11.548 -9.045 1.00 0.00 O ATOM 560 CB LYS A 36 -8.066 12.668 -9.660 1.00 0.00 C ATOM 561 CG LYS A 36 -9.184 12.363 -10.612 1.00 0.00 C ATOM 562 CD LYS A 36 -10.040 13.554 -10.729 1.00 0.00 C ATOM 563 CE LYS A 36 -11.255 13.318 -11.617 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.896 13.090 -13.033 1.00 0.00 N ATOM 0 H LYS A 36 -9.134 11.548 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.278 10.673 -9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.442 13.313 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.294 13.229 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.785 12.087 -11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.765 11.513 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.374 13.856 -9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.454 14.380 -11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.809 12.457 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.921 14.179 -11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.754 12.868 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.452 13.947 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.229 12.294 -13.098 1.00 0.00 H new ATOM 578 N LEU A 37 -6.159 12.428 -7.316 1.00 0.00 N ATOM 579 CA LEU A 37 -4.994 12.931 -6.626 1.00 0.00 C ATOM 580 C LEU A 37 -4.338 11.831 -5.796 1.00 0.00 C ATOM 581 O LEU A 37 -3.499 12.071 -4.919 1.00 0.00 O ATOM 582 CB LEU A 37 -5.397 14.192 -5.808 1.00 0.00 C ATOM 583 CG LEU A 37 -4.375 14.846 -4.927 1.00 0.00 C ATOM 584 CD1 LEU A 37 -3.429 15.656 -5.726 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.022 15.651 -3.823 1.00 0.00 C ATOM 0 H LEU A 37 -7.030 12.591 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.229 13.242 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.751 14.943 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.246 13.920 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.800 14.058 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.698 16.120 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.915 15.014 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.976 16.431 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.249 16.109 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.647 16.430 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.637 14.995 -3.207 1.00 0.00 H new ATOM 597 N ASN A 38 -4.685 10.622 -6.104 1.00 0.00 N ATOM 598 CA ASN A 38 -4.074 9.523 -5.460 1.00 0.00 C ATOM 599 C ASN A 38 -3.414 8.662 -6.521 1.00 0.00 C ATOM 600 O ASN A 38 -2.209 8.786 -6.749 1.00 0.00 O ATOM 601 CB ASN A 38 -5.074 8.730 -4.616 1.00 0.00 C ATOM 602 CG ASN A 38 -4.419 7.755 -3.661 1.00 0.00 C ATOM 603 OD1 ASN A 38 -4.078 8.115 -2.543 1.00 0.00 O ATOM 604 ND2 ASN A 38 -4.281 6.530 -4.053 1.00 0.00 N ATOM 0 H ASN A 38 -5.390 10.379 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.319 9.880 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.689 9.426 -4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.743 8.182 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.879 5.835 -3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.574 6.259 -4.991 1.00 0.00 H new ATOM 611 N ASP A 39 -4.227 7.861 -7.229 1.00 0.00 N ATOM 612 CA ASP A 39 -3.744 6.969 -8.324 1.00 0.00 C ATOM 613 C ASP A 39 -4.840 6.048 -8.889 1.00 0.00 C ATOM 614 O ASP A 39 -4.550 5.239 -9.764 1.00 0.00 O ATOM 615 CB ASP A 39 -2.522 6.078 -7.929 1.00 0.00 C ATOM 616 CG ASP A 39 -2.804 4.983 -6.897 1.00 0.00 C ATOM 617 OD1 ASP A 39 -3.386 3.939 -7.248 1.00 0.00 O ATOM 618 OD2 ASP A 39 -2.385 5.126 -5.730 1.00 0.00 O ATOM 0 H ASP A 39 -5.233 7.805 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.429 7.676 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.131 5.609 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.735 6.724 -7.540 1.00 0.00 H new ATOM 623 N LYS A 40 -6.101 6.189 -8.445 1.00 0.00 N ATOM 624 CA LYS A 40 -7.148 5.294 -8.889 1.00 0.00 C ATOM 625 C LYS A 40 -7.493 5.625 -10.326 1.00 0.00 C ATOM 626 O LYS A 40 -7.758 4.749 -11.158 1.00 0.00 O ATOM 627 CB LYS A 40 -8.348 5.434 -7.962 1.00 0.00 C ATOM 628 CG LYS A 40 -7.993 5.186 -6.493 1.00 0.00 C ATOM 629 CD LYS A 40 -9.196 5.236 -5.558 1.00 0.00 C ATOM 630 CE LYS A 40 -10.164 4.082 -5.798 1.00 0.00 C ATOM 631 NZ LYS A 40 -11.252 4.056 -4.790 1.00 0.00 N ATOM 0 H LYS A 40 -6.403 6.908 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.821 4.255 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.767 6.435 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.122 4.730 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.514 4.211 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.264 5.930 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.851 5.209 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.721 6.182 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.595 4.171 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.619 3.138 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.889 3.258 -4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.843 3.946 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.788 4.946 -4.835 1.00 0.00 H new ATOM 645 N VAL A 41 -7.467 6.895 -10.590 1.00 0.00 N ATOM 646 CA VAL A 41 -7.567 7.471 -11.867 1.00 0.00 C ATOM 647 C VAL A 41 -6.563 8.595 -11.832 1.00 0.00 C ATOM 648 O VAL A 41 -6.373 9.201 -10.787 1.00 0.00 O ATOM 649 CB VAL A 41 -8.989 8.017 -12.171 1.00 0.00 C ATOM 650 CG1 VAL A 41 -9.977 6.892 -12.433 1.00 0.00 C ATOM 651 CG2 VAL A 41 -9.495 8.880 -11.037 1.00 0.00 C ATOM 0 H VAL A 41 -7.368 7.595 -9.855 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.377 6.739 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.908 8.624 -13.073 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.961 7.313 -12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.643 6.307 -13.290 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.037 6.248 -11.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.492 9.248 -11.277 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.537 8.290 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.821 9.725 -10.894 1.00 0.00 H new ATOM 661 N THR A 42 -5.871 8.821 -12.884 1.00 0.00 N ATOM 662 CA THR A 42 -4.859 9.828 -12.883 1.00 0.00 C ATOM 663 C THR A 42 -5.278 10.945 -13.820 1.00 0.00 C ATOM 664 O THR A 42 -6.107 10.726 -14.725 1.00 0.00 O ATOM 665 CB THR A 42 -3.536 9.223 -13.344 1.00 0.00 C ATOM 666 OG1 THR A 42 -3.432 7.903 -12.805 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.374 10.029 -12.815 1.00 0.00 C ATOM 0 H THR A 42 -5.982 8.323 -13.767 1.00 0.00 H new ATOM 0 HA THR A 42 -4.730 10.227 -11.877 1.00 0.00 H new ATOM 0 HB THR A 42 -3.510 9.216 -14.434 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.587 7.498 -13.093 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.438 9.584 -13.153 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.443 11.052 -13.184 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.401 10.034 -11.725 1.00 0.00 H new ATOM 675 N TRP A 43 -4.722 12.107 -13.614 1.00 0.00 N ATOM 676 CA TRP A 43 -5.059 13.286 -14.375 1.00 0.00 C ATOM 677 C TRP A 43 -4.715 13.123 -15.831 1.00 0.00 C ATOM 678 O TRP A 43 -3.604 12.707 -16.189 1.00 0.00 O ATOM 679 CB TRP A 43 -4.302 14.506 -13.862 1.00 0.00 C ATOM 680 CG TRP A 43 -4.499 14.807 -12.424 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.488 15.556 -11.854 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.657 14.380 -11.371 1.00 0.00 C ATOM 683 NE1 TRP A 43 -5.302 15.611 -10.497 1.00 0.00 N ATOM 684 CE2 TRP A 43 -4.179 14.893 -10.177 1.00 0.00 C ATOM 685 CE3 TRP A 43 -2.502 13.602 -11.328 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -3.579 14.657 -8.953 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.914 13.366 -10.119 1.00 0.00 C ATOM 688 CH2 TRP A 43 -2.451 13.890 -8.944 1.00 0.00 C ATOM 0 H TRP A 43 -4.010 12.268 -12.902 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.134 13.426 -14.259 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.238 14.357 -14.044 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.607 15.375 -14.445 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.295 16.033 -12.391 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.900 16.105 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.080 13.193 -12.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.988 15.064 -8.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.019 12.764 -10.072 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.962 13.684 -8.003 1.00 0.00 H new ATOM 699 N LYS A 44 -5.664 13.417 -16.654 1.00 0.00 N ATOM 700 CA LYS A 44 -5.438 13.527 -18.052 1.00 0.00 C ATOM 701 C LYS A 44 -4.851 14.905 -18.297 1.00 0.00 C ATOM 702 O LYS A 44 -4.827 15.729 -17.379 1.00 0.00 O ATOM 703 CB LYS A 44 -6.748 13.344 -18.809 1.00 0.00 C ATOM 704 CG LYS A 44 -7.285 11.919 -18.808 1.00 0.00 C ATOM 705 CD LYS A 44 -6.346 10.992 -19.565 1.00 0.00 C ATOM 706 CE LYS A 44 -6.920 9.600 -19.712 1.00 0.00 C ATOM 707 NZ LYS A 44 -6.032 8.728 -20.512 1.00 0.00 N ATOM 0 H LYS A 44 -6.628 13.589 -16.370 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.753 12.757 -18.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.500 14.002 -18.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.604 13.664 -19.841 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.401 11.569 -17.782 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.274 11.897 -19.266 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.145 11.407 -20.553 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.391 10.937 -19.042 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.070 9.161 -18.726 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.899 9.658 -20.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.456 7.782 -20.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.909 9.135 -21.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.106 8.654 -20.045 1.00 0.00 H new ATOM 721 N ASP A 45 -4.419 15.178 -19.495 1.00 0.00 N ATOM 722 CA ASP A 45 -3.771 16.460 -19.800 1.00 0.00 C ATOM 723 C ASP A 45 -4.712 17.632 -19.531 1.00 0.00 C ATOM 724 O ASP A 45 -4.307 18.644 -18.958 1.00 0.00 O ATOM 725 CB ASP A 45 -3.247 16.471 -21.231 1.00 0.00 C ATOM 726 CG ASP A 45 -2.498 17.721 -21.592 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.044 18.565 -22.336 1.00 0.00 O ATOM 728 OD2 ASP A 45 -1.331 17.867 -21.173 1.00 0.00 O ATOM 0 H ASP A 45 -4.495 14.542 -20.289 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.916 16.578 -19.135 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.592 15.612 -21.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.086 16.351 -21.916 1.00 0.00 H new ATOM 733 N ASP A 46 -5.983 17.442 -19.863 1.00 0.00 N ATOM 734 CA ASP A 46 -7.033 18.452 -19.614 1.00 0.00 C ATOM 735 C ASP A 46 -7.188 18.685 -18.123 1.00 0.00 C ATOM 736 O ASP A 46 -7.385 19.807 -17.676 1.00 0.00 O ATOM 737 CB ASP A 46 -8.401 17.993 -20.144 1.00 0.00 C ATOM 738 CG ASP A 46 -8.470 17.759 -21.629 1.00 0.00 C ATOM 739 OD1 ASP A 46 -8.823 18.693 -22.382 1.00 0.00 O ATOM 740 OD2 ASP A 46 -8.228 16.623 -22.071 1.00 0.00 O ATOM 0 H ASP A 46 -6.325 16.592 -20.311 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.724 19.361 -20.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.679 17.070 -19.634 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.146 18.742 -19.876 1.00 0.00 H new ATOM 745 N GLU A 47 -7.039 17.619 -17.362 1.00 0.00 N ATOM 746 CA GLU A 47 -7.240 17.642 -15.917 1.00 0.00 C ATOM 747 C GLU A 47 -6.104 18.399 -15.264 1.00 0.00 C ATOM 748 O GLU A 47 -6.306 19.158 -14.316 1.00 0.00 O ATOM 749 CB GLU A 47 -7.292 16.218 -15.377 1.00 0.00 C ATOM 750 CG GLU A 47 -8.371 15.351 -16.003 1.00 0.00 C ATOM 751 CD GLU A 47 -9.761 15.754 -15.614 1.00 0.00 C ATOM 752 OE1 GLU A 47 -10.298 15.166 -14.657 1.00 0.00 O ATOM 753 OE2 GLU A 47 -10.355 16.621 -16.265 1.00 0.00 O ATOM 0 H GLU A 47 -6.773 16.704 -17.726 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.183 18.139 -15.691 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.323 15.745 -15.538 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.453 16.256 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.278 15.396 -17.088 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.207 14.314 -15.712 1.00 0.00 H new ATOM 760 N ILE A 48 -4.908 18.203 -15.799 1.00 0.00 N ATOM 761 CA ILE A 48 -3.730 18.896 -15.325 1.00 0.00 C ATOM 762 C ILE A 48 -3.917 20.393 -15.548 1.00 0.00 C ATOM 763 O ILE A 48 -3.687 21.195 -14.645 1.00 0.00 O ATOM 764 CB ILE A 48 -2.445 18.406 -16.056 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.284 16.887 -15.879 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.213 19.139 -15.522 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.100 16.282 -16.606 1.00 0.00 C ATOM 0 H ILE A 48 -4.732 17.560 -16.571 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.604 18.684 -14.263 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.542 18.627 -17.119 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.189 16.668 -14.815 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.194 16.397 -16.226 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.324 18.784 -16.044 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.327 20.210 -15.687 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.109 18.945 -14.454 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.070 15.208 -16.421 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.199 16.464 -17.676 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.179 16.739 -16.244 1.00 0.00 H new ATOM 779 N LEU A 49 -4.416 20.744 -16.737 1.00 0.00 N ATOM 780 CA LEU A 49 -4.678 22.089 -17.120 1.00 0.00 C ATOM 781 C LEU A 49 -5.676 22.759 -16.187 1.00 0.00 C ATOM 782 O LEU A 49 -5.589 23.969 -15.948 1.00 0.00 O ATOM 783 CB LEU A 49 -5.204 22.094 -18.536 1.00 0.00 C ATOM 784 CG LEU A 49 -4.246 21.632 -19.623 1.00 0.00 C ATOM 785 CD1 LEU A 49 -4.916 21.716 -20.983 1.00 0.00 C ATOM 786 CD2 LEU A 49 -2.956 22.448 -19.606 1.00 0.00 C ATOM 0 H LEU A 49 -4.647 20.065 -17.462 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.750 22.657 -17.058 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.090 21.460 -18.572 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.527 23.107 -18.775 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.983 20.593 -19.426 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.220 21.383 -21.753 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.800 21.079 -20.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.209 22.747 -21.181 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.291 22.094 -20.394 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.189 23.500 -19.772 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.466 22.333 -18.639 1.00 0.00 H new ATOM 798 N LYS A 50 -6.623 21.985 -15.663 1.00 0.00 N ATOM 799 CA LYS A 50 -7.588 22.501 -14.732 1.00 0.00 C ATOM 800 C LYS A 50 -6.873 23.005 -13.482 1.00 0.00 C ATOM 801 O LYS A 50 -7.108 24.117 -13.023 1.00 0.00 O ATOM 802 CB LYS A 50 -8.570 21.425 -14.333 1.00 0.00 C ATOM 803 CG LYS A 50 -9.391 20.743 -15.446 1.00 0.00 C ATOM 804 CD LYS A 50 -10.372 21.657 -16.198 1.00 0.00 C ATOM 805 CE LYS A 50 -9.711 22.417 -17.345 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.692 23.197 -18.131 1.00 0.00 N ATOM 0 H LYS A 50 -6.732 20.994 -15.877 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.128 23.317 -15.212 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.018 20.649 -13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.271 21.860 -13.621 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.700 20.308 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.953 19.919 -15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.192 21.057 -16.591 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.806 22.371 -15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.951 23.088 -16.945 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.200 21.712 -18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.202 23.698 -18.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.403 22.554 -18.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.162 23.888 -17.512 1.00 0.00 H new ATOM 820 N ALA A 51 -5.951 22.194 -12.983 1.00 0.00 N ATOM 821 CA ALA A 51 -5.202 22.517 -11.779 1.00 0.00 C ATOM 822 C ALA A 51 -4.231 23.676 -12.016 1.00 0.00 C ATOM 823 O ALA A 51 -4.159 24.593 -11.207 1.00 0.00 O ATOM 824 CB ALA A 51 -4.466 21.289 -11.260 1.00 0.00 C ATOM 0 H ALA A 51 -5.702 21.297 -13.400 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.915 22.838 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.912 21.551 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.186 20.504 -11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.773 20.931 -12.021 1.00 0.00 H new ATOM 830 N VAL A 52 -3.523 23.649 -13.153 1.00 0.00 N ATOM 831 CA VAL A 52 -2.543 24.708 -13.538 1.00 0.00 C ATOM 832 C VAL A 52 -3.211 26.090 -13.543 1.00 0.00 C ATOM 833 O VAL A 52 -2.599 27.095 -13.189 1.00 0.00 O ATOM 834 CB VAL A 52 -1.966 24.439 -14.968 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.973 25.513 -15.395 1.00 0.00 C ATOM 836 CG2 VAL A 52 -1.315 23.083 -15.039 1.00 0.00 C ATOM 0 H VAL A 52 -3.603 22.899 -13.840 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.738 24.686 -12.804 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.809 24.467 -15.659 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.598 25.286 -16.393 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.469 26.484 -15.406 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.140 25.539 -14.692 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.922 22.920 -16.043 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.500 23.033 -14.317 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.052 22.313 -14.808 1.00 0.00 H new ATOM 846 N HIS A 53 -4.471 26.100 -13.897 1.00 0.00 N ATOM 847 CA HIS A 53 -5.251 27.318 -14.032 1.00 0.00 C ATOM 848 C HIS A 53 -5.635 27.879 -12.665 1.00 0.00 C ATOM 849 O HIS A 53 -5.655 29.097 -12.463 1.00 0.00 O ATOM 850 CB HIS A 53 -6.513 26.977 -14.814 1.00 0.00 C ATOM 851 CG HIS A 53 -7.316 28.150 -15.304 1.00 0.00 C ATOM 852 ND1 HIS A 53 -8.671 28.264 -15.110 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.960 29.215 -16.058 1.00 0.00 C ATOM 854 CE1 HIS A 53 -9.113 29.340 -15.722 1.00 0.00 C ATOM 855 NE2 HIS A 53 -8.096 29.936 -16.304 1.00 0.00 N ATOM 0 H HIS A 53 -4.998 25.252 -14.104 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.660 28.074 -14.549 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.232 26.369 -15.674 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.153 26.361 -14.183 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.964 29.452 -16.402 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.139 29.678 -15.743 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.146 30.796 -16.850 1.00 0.00 H new ATOM 863 N VAL A 54 -5.884 26.990 -11.736 1.00 0.00 N ATOM 864 CA VAL A 54 -6.412 27.358 -10.429 1.00 0.00 C ATOM 865 C VAL A 54 -5.284 27.602 -9.449 1.00 0.00 C ATOM 866 O VAL A 54 -5.177 28.661 -8.835 1.00 0.00 O ATOM 867 CB VAL A 54 -7.352 26.242 -9.881 1.00 0.00 C ATOM 868 CG1 VAL A 54 -7.815 26.547 -8.467 1.00 0.00 C ATOM 869 CG2 VAL A 54 -8.553 26.048 -10.795 1.00 0.00 C ATOM 0 H VAL A 54 -5.729 25.989 -11.856 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.986 28.277 -10.545 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.776 25.317 -9.856 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.468 25.748 -8.118 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.949 26.622 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.360 27.491 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.194 25.264 -10.392 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.115 26.980 -10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.211 25.761 -11.789 1.00 0.00 H new ATOM 879 N LEU A 55 -4.449 26.610 -9.325 1.00 0.00 N ATOM 880 CA LEU A 55 -3.332 26.588 -8.453 1.00 0.00 C ATOM 881 C LEU A 55 -2.233 27.524 -8.932 1.00 0.00 C ATOM 882 O LEU A 55 -1.345 27.899 -8.156 1.00 0.00 O ATOM 883 CB LEU A 55 -2.849 25.165 -8.451 1.00 0.00 C ATOM 884 CG LEU A 55 -3.575 24.138 -7.564 1.00 0.00 C ATOM 885 CD1 LEU A 55 -3.163 24.271 -6.114 1.00 0.00 C ATOM 886 CD2 LEU A 55 -5.098 24.209 -7.666 1.00 0.00 C ATOM 0 H LEU A 55 -4.544 25.750 -9.865 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.607 26.928 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.889 24.801 -9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.800 25.173 -8.156 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.268 23.165 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.694 23.531 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.089 24.107 -6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.408 25.271 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.542 23.457 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.437 25.199 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.403 24.022 -8.696 1.00 0.00 H new ATOM 898 N GLU A 56 -2.321 27.884 -10.214 1.00 0.00 N ATOM 899 CA GLU A 56 -1.404 28.786 -10.889 1.00 0.00 C ATOM 900 C GLU A 56 -0.005 28.196 -10.914 1.00 0.00 C ATOM 901 O GLU A 56 0.830 28.447 -10.038 1.00 0.00 O ATOM 902 CB GLU A 56 -1.484 30.203 -10.295 1.00 0.00 C ATOM 903 CG GLU A 56 -2.926 30.703 -10.282 1.00 0.00 C ATOM 904 CD GLU A 56 -3.116 32.074 -9.711 1.00 0.00 C ATOM 905 OE1 GLU A 56 -3.553 32.980 -10.457 1.00 0.00 O ATOM 906 OE2 GLU A 56 -2.865 32.279 -8.503 1.00 0.00 O ATOM 0 H GLU A 56 -3.061 27.540 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.701 28.897 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.086 30.200 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.864 30.883 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.306 30.695 -11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.533 30.001 -9.711 1.00 0.00 H new ATOM 913 N LEU A 57 0.209 27.354 -11.897 1.00 0.00 N ATOM 914 CA LEU A 57 1.425 26.591 -12.023 1.00 0.00 C ATOM 915 C LEU A 57 2.100 26.870 -13.341 1.00 0.00 C ATOM 916 O LEU A 57 1.525 27.521 -14.217 1.00 0.00 O ATOM 917 CB LEU A 57 1.110 25.123 -11.909 1.00 0.00 C ATOM 918 CG LEU A 57 0.384 24.670 -10.631 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.038 23.201 -10.715 1.00 0.00 C ATOM 920 CD2 LEU A 57 1.232 24.938 -9.391 1.00 0.00 C ATOM 0 H LEU A 57 -0.466 27.178 -12.641 1.00 0.00 H new ATOM 0 HA LEU A 57 2.105 26.884 -11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.500 24.838 -12.766 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.045 24.567 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.536 25.248 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.475 22.895 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.612 23.029 -11.573 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.952 22.618 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.693 24.608 -8.503 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.172 24.392 -9.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.437 26.006 -9.314 1.00 0.00 H new ATOM 932 N ASN A 58 3.290 26.364 -13.494 1.00 0.00 N ATOM 933 CA ASN A 58 4.064 26.580 -14.698 1.00 0.00 C ATOM 934 C ASN A 58 4.175 25.272 -15.466 1.00 0.00 C ATOM 935 O ASN A 58 4.359 24.222 -14.854 1.00 0.00 O ATOM 936 CB ASN A 58 5.462 27.079 -14.304 1.00 0.00 C ATOM 937 CG ASN A 58 6.373 27.351 -15.484 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.117 26.470 -15.928 1.00 0.00 O ATOM 939 ND2 ASN A 58 6.319 28.544 -16.007 1.00 0.00 N ATOM 0 H ASN A 58 3.757 25.790 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 58 3.577 27.322 -15.331 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.359 27.993 -13.719 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.933 26.338 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.904 28.776 -16.810 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.692 29.246 -15.613 1.00 0.00 H new ATOM 946 N PRO A 59 4.134 25.316 -16.820 1.00 0.00 N ATOM 947 CA PRO A 59 4.186 24.113 -17.667 1.00 0.00 C ATOM 948 C PRO A 59 5.458 23.273 -17.481 1.00 0.00 C ATOM 949 O PRO A 59 5.442 22.062 -17.687 1.00 0.00 O ATOM 950 CB PRO A 59 4.108 24.658 -19.104 1.00 0.00 C ATOM 951 CG PRO A 59 4.441 26.105 -18.992 1.00 0.00 C ATOM 952 CD PRO A 59 3.970 26.536 -17.640 1.00 0.00 C ATOM 0 HA PRO A 59 3.376 23.432 -17.408 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.810 24.142 -19.759 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.113 24.514 -19.526 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.513 26.268 -19.101 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.950 26.680 -19.777 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.563 27.364 -17.252 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.933 26.870 -17.662 1.00 0.00 H new ATOM 960 N GLN A 60 6.538 23.891 -17.045 1.00 0.00 N ATOM 961 CA GLN A 60 7.796 23.162 -16.901 1.00 0.00 C ATOM 962 C GLN A 60 7.936 22.594 -15.507 1.00 0.00 C ATOM 963 O GLN A 60 8.788 21.751 -15.244 1.00 0.00 O ATOM 964 CB GLN A 60 8.995 24.055 -17.237 1.00 0.00 C ATOM 965 CG GLN A 60 8.975 24.592 -18.656 1.00 0.00 C ATOM 966 CD GLN A 60 8.964 23.486 -19.700 1.00 0.00 C ATOM 967 OE1 GLN A 60 7.901 23.007 -20.114 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.118 23.092 -20.144 1.00 0.00 N ATOM 0 H GLN A 60 6.578 24.877 -16.787 1.00 0.00 H new ATOM 0 HA GLN A 60 7.779 22.334 -17.610 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.019 24.893 -16.541 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.913 23.488 -17.085 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.095 25.222 -18.790 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.848 25.226 -18.813 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.974 23.510 -19.780 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.169 22.365 -20.857 1.00 0.00 H new ATOM 977 N ASP A 61 7.071 23.014 -14.630 1.00 0.00 N ATOM 978 CA ASP A 61 7.150 22.595 -13.247 1.00 0.00 C ATOM 979 C ASP A 61 6.160 21.461 -13.016 1.00 0.00 C ATOM 980 O ASP A 61 6.169 20.805 -11.998 1.00 0.00 O ATOM 981 CB ASP A 61 6.831 23.782 -12.358 1.00 0.00 C ATOM 982 CG ASP A 61 7.685 23.852 -11.119 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.934 23.944 -11.257 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.145 23.935 -10.008 1.00 0.00 O ATOM 0 H ASP A 61 6.299 23.647 -14.841 1.00 0.00 H new ATOM 0 HA ASP A 61 8.151 22.237 -13.009 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.960 24.700 -12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.782 23.735 -12.065 1.00 0.00 H new ATOM 989 N ILE A 62 5.350 21.215 -14.035 1.00 0.00 N ATOM 990 CA ILE A 62 4.296 20.187 -14.043 1.00 0.00 C ATOM 991 C ILE A 62 4.760 18.739 -13.712 1.00 0.00 C ATOM 992 O ILE A 62 4.141 18.100 -12.865 1.00 0.00 O ATOM 993 CB ILE A 62 3.508 20.198 -15.382 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.809 21.542 -15.568 1.00 0.00 C ATOM 995 CG2 ILE A 62 2.504 19.050 -15.477 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.904 21.952 -14.422 1.00 0.00 C ATOM 0 H ILE A 62 5.402 21.736 -14.910 1.00 0.00 H new ATOM 0 HA ILE A 62 3.646 20.476 -13.217 1.00 0.00 H new ATOM 0 HB ILE A 62 4.229 20.053 -16.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.566 22.313 -15.708 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.219 21.505 -16.483 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.980 19.103 -16.431 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.031 18.099 -15.405 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.784 19.128 -14.663 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.452 22.919 -14.643 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.120 21.206 -14.292 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.489 22.027 -13.505 1.00 0.00 H new ATOM 1008 N PRO A 63 5.884 18.196 -14.307 1.00 0.00 N ATOM 1009 CA PRO A 63 6.262 16.776 -14.112 1.00 0.00 C ATOM 1010 C PRO A 63 6.812 16.506 -12.726 1.00 0.00 C ATOM 1011 O PRO A 63 7.150 15.375 -12.367 1.00 0.00 O ATOM 1012 CB PRO A 63 7.325 16.547 -15.169 1.00 0.00 C ATOM 1013 CG PRO A 63 7.967 17.869 -15.360 1.00 0.00 C ATOM 1014 CD PRO A 63 6.887 18.894 -15.155 1.00 0.00 C ATOM 0 HA PRO A 63 5.404 16.109 -14.203 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.049 15.800 -14.845 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.886 16.184 -16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.780 18.013 -14.649 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.398 17.952 -16.358 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.273 19.787 -14.664 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.455 19.213 -16.103 1.00 0.00 H new ATOM 1022 N LYS A 64 6.939 17.561 -11.995 1.00 0.00 N ATOM 1023 CA LYS A 64 7.397 17.524 -10.633 1.00 0.00 C ATOM 1024 C LYS A 64 6.193 17.293 -9.714 1.00 0.00 C ATOM 1025 O LYS A 64 6.331 16.795 -8.592 1.00 0.00 O ATOM 1026 CB LYS A 64 8.050 18.859 -10.271 1.00 0.00 C ATOM 1027 CG LYS A 64 9.041 19.382 -11.304 1.00 0.00 C ATOM 1028 CD LYS A 64 9.700 20.660 -10.814 1.00 0.00 C ATOM 1029 CE LYS A 64 10.711 21.192 -11.811 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.273 22.482 -11.371 1.00 0.00 N ATOM 0 H LYS A 64 6.724 18.500 -12.329 1.00 0.00 H new ATOM 0 HA LYS A 64 8.124 16.721 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.267 19.604 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.564 18.750 -9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.802 18.627 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.527 19.570 -12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.936 21.416 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.194 20.471 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.515 20.467 -11.938 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.235 21.314 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.814 22.909 -12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.500 23.121 -11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.902 22.327 -10.557 1.00 0.00 H new ATOM 1044 N TYR A 65 5.014 17.660 -10.208 1.00 0.00 N ATOM 1045 CA TYR A 65 3.792 17.549 -9.462 1.00 0.00 C ATOM 1046 C TYR A 65 2.878 16.448 -10.019 1.00 0.00 C ATOM 1047 O TYR A 65 2.670 15.419 -9.387 1.00 0.00 O ATOM 1048 CB TYR A 65 3.006 18.863 -9.507 1.00 0.00 C ATOM 1049 CG TYR A 65 3.622 20.073 -8.844 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.380 20.989 -9.554 1.00 0.00 C ATOM 1051 CD2 TYR A 65 3.400 20.314 -7.512 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.895 22.110 -8.937 1.00 0.00 C ATOM 1053 CE2 TYR A 65 3.914 21.424 -6.887 1.00 0.00 C ATOM 1054 CZ TYR A 65 4.659 22.317 -7.600 1.00 0.00 C ATOM 1055 OH TYR A 65 5.161 23.432 -6.971 1.00 0.00 O ATOM 0 H TYR A 65 4.893 18.044 -11.145 1.00 0.00 H new ATOM 0 HA TYR A 65 4.081 17.304 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.825 19.110 -10.553 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.033 18.688 -9.048 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.570 20.824 -10.604 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.807 19.615 -6.941 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.480 22.821 -9.502 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.729 21.589 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 65 4.898 23.421 -6.027 1.00 0.00 H new ATOM 1065 N PHE A 66 2.369 16.665 -11.224 1.00 0.00 N ATOM 1066 CA PHE A 66 1.344 15.826 -11.788 1.00 0.00 C ATOM 1067 C PHE A 66 1.850 15.293 -13.107 1.00 0.00 C ATOM 1068 O PHE A 66 1.940 16.053 -14.072 1.00 0.00 O ATOM 1069 CB PHE A 66 0.073 16.642 -12.182 1.00 0.00 C ATOM 1070 CG PHE A 66 -0.535 17.591 -11.183 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.052 18.882 -11.052 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -1.622 17.214 -10.428 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -0.643 19.770 -10.178 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -2.216 18.096 -9.547 1.00 0.00 C ATOM 1075 CZ PHE A 66 -1.726 19.376 -9.422 1.00 0.00 C ATOM 0 H PHE A 66 2.662 17.431 -11.831 1.00 0.00 H new ATOM 0 HA PHE A 66 1.108 15.064 -11.045 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.318 17.219 -13.074 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.699 15.927 -12.467 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.797 19.197 -11.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.016 16.213 -10.526 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.257 20.774 -10.086 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.064 17.782 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.188 20.069 -8.734 1.00 0.00 H new