USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=17 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 Set 1.1: A 18 THR OG1 : rot -142:sc= 0.505 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.581 K(o=1.1,f=2.1) USER MOD Single : A 5 TYR OH : rot 28:sc= 1.24 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 74:sc= 0.536 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.688 (180deg=0.337) USER MOD Single : A 16 CYS SG : rot 150:sc= -0.708 USER MOD Single : A 19 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -178:sc= 0 (180deg=-0.00752) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 34 SER OG : rot 69:sc= 1.31 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.377 (180deg=-0.51) USER MOD Single : A 38 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00809 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.19) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.185 K(o=0.19,f=-5.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= 1.29 (180deg=0.404) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 4.649 12.785 -4.266 1.00 0.00 N ATOM 81 CA TYR A 5 3.831 13.942 -4.663 1.00 0.00 C ATOM 82 C TYR A 5 4.099 15.049 -3.665 1.00 0.00 C ATOM 83 O TYR A 5 3.393 16.032 -3.611 1.00 0.00 O ATOM 84 CB TYR A 5 2.303 13.637 -4.662 1.00 0.00 C ATOM 85 CG TYR A 5 1.836 12.641 -5.703 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.448 11.355 -5.345 1.00 0.00 C ATOM 87 CD2 TYR A 5 1.799 12.987 -7.048 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.034 10.446 -6.298 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.386 12.082 -8.009 1.00 0.00 C ATOM 90 CZ TYR A 5 1.005 10.812 -7.627 1.00 0.00 C ATOM 91 OH TYR A 5 0.586 9.897 -8.582 1.00 0.00 O ATOM 0 HA TYR A 5 4.103 14.217 -5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.026 13.263 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.763 14.572 -4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.471 11.063 -4.306 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.098 13.980 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.734 9.451 -6.003 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.362 12.367 -9.050 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.046 9.267 -8.177 1.00 0.00 H new ATOM 101 N SER A 6 5.187 14.901 -2.933 1.00 0.00 N ATOM 102 CA SER A 6 5.512 15.743 -1.791 1.00 0.00 C ATOM 103 C SER A 6 5.644 17.240 -2.162 1.00 0.00 C ATOM 104 O SER A 6 5.085 18.101 -1.474 1.00 0.00 O ATOM 105 CB SER A 6 6.782 15.193 -1.119 1.00 0.00 C ATOM 106 OG SER A 6 7.121 15.886 0.058 1.00 0.00 O ATOM 0 H SER A 6 5.884 14.180 -3.117 1.00 0.00 H new ATOM 0 HA SER A 6 4.684 15.705 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.636 14.139 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.613 15.251 -1.822 1.00 0.00 H new ATOM 0 HG SER A 6 7.933 15.496 0.445 1.00 0.00 H new ATOM 112 N SER A 7 6.320 17.536 -3.272 1.00 0.00 N ATOM 113 CA SER A 7 6.510 18.920 -3.701 1.00 0.00 C ATOM 114 C SER A 7 5.143 19.547 -4.045 1.00 0.00 C ATOM 115 O SER A 7 4.886 20.730 -3.772 1.00 0.00 O ATOM 116 CB SER A 7 7.467 18.963 -4.909 1.00 0.00 C ATOM 117 OG SER A 7 7.794 20.289 -5.277 1.00 0.00 O ATOM 0 H SER A 7 6.743 16.840 -3.887 1.00 0.00 H new ATOM 0 HA SER A 7 6.957 19.500 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.380 18.418 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.006 18.455 -5.756 1.00 0.00 H new ATOM 0 HG SER A 7 8.403 20.275 -6.045 1.00 0.00 H new ATOM 123 N LEU A 8 4.260 18.713 -4.581 1.00 0.00 N ATOM 124 CA LEU A 8 2.923 19.107 -4.951 1.00 0.00 C ATOM 125 C LEU A 8 2.091 19.313 -3.734 1.00 0.00 C ATOM 126 O LEU A 8 1.411 20.304 -3.618 1.00 0.00 O ATOM 127 CB LEU A 8 2.299 18.038 -5.838 1.00 0.00 C ATOM 128 CG LEU A 8 0.846 18.254 -6.281 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.638 19.635 -6.880 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.474 17.194 -7.278 1.00 0.00 C ATOM 0 H LEU A 8 4.464 17.732 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 8 2.970 20.046 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.914 17.940 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.353 17.087 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 8 0.204 18.183 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.404 19.748 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.886 20.394 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.282 19.755 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.558 17.341 -7.598 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.135 17.260 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.575 16.211 -6.818 1.00 0.00 H new ATOM 142 N LEU A 9 2.164 18.383 -2.833 1.00 0.00 N ATOM 143 CA LEU A 9 1.429 18.424 -1.627 1.00 0.00 C ATOM 144 C LEU A 9 1.739 19.694 -0.823 1.00 0.00 C ATOM 145 O LEU A 9 0.830 20.335 -0.295 1.00 0.00 O ATOM 146 CB LEU A 9 1.715 17.164 -0.835 1.00 0.00 C ATOM 147 CG LEU A 9 1.195 15.848 -1.432 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.553 14.674 -0.540 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.309 15.905 -1.662 1.00 0.00 C ATOM 0 H LEU A 9 2.755 17.557 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 9 0.363 18.463 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.794 17.078 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.285 17.281 0.160 1.00 0.00 H new ATOM 0 HG LEU A 9 1.679 15.707 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.175 13.752 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.637 14.610 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.105 14.815 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.648 14.960 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.816 16.081 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.541 16.716 -2.353 1.00 0.00 H new ATOM 161 N GLY A 10 3.013 20.066 -0.777 1.00 0.00 N ATOM 162 CA GLY A 10 3.403 21.295 -0.115 1.00 0.00 C ATOM 163 C GLY A 10 2.842 22.515 -0.829 1.00 0.00 C ATOM 164 O GLY A 10 2.374 23.467 -0.195 1.00 0.00 O ATOM 0 H GLY A 10 3.783 19.537 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.050 21.282 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.490 21.361 -0.079 1.00 0.00 H new ATOM 168 N LYS A 11 2.845 22.453 -2.152 1.00 0.00 N ATOM 169 CA LYS A 11 2.358 23.495 -3.000 1.00 0.00 C ATOM 170 C LYS A 11 0.851 23.663 -2.788 1.00 0.00 C ATOM 171 O LYS A 11 0.335 24.782 -2.749 1.00 0.00 O ATOM 172 CB LYS A 11 2.637 23.071 -4.422 1.00 0.00 C ATOM 173 CG LYS A 11 2.451 24.126 -5.442 1.00 0.00 C ATOM 174 CD LYS A 11 3.506 25.193 -5.294 1.00 0.00 C ATOM 175 CE LYS A 11 3.440 26.193 -6.412 1.00 0.00 C ATOM 176 NZ LYS A 11 4.544 27.161 -6.341 1.00 0.00 N ATOM 0 H LYS A 11 3.200 21.647 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 11 2.842 24.446 -2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.663 22.708 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.987 22.231 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.504 23.690 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.460 24.569 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.377 25.704 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.493 24.730 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.474 25.672 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.488 26.723 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.465 27.836 -7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.497 27.676 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.452 26.658 -6.406 1.00 0.00 H new ATOM 190 N ILE A 12 0.168 22.536 -2.652 1.00 0.00 N ATOM 191 CA ILE A 12 -1.248 22.500 -2.380 1.00 0.00 C ATOM 192 C ILE A 12 -1.547 23.198 -1.058 1.00 0.00 C ATOM 193 O ILE A 12 -2.479 23.991 -0.971 1.00 0.00 O ATOM 194 CB ILE A 12 -1.788 21.039 -2.350 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.650 20.387 -3.733 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.234 21.005 -1.886 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.110 18.941 -3.790 1.00 0.00 C ATOM 0 H ILE A 12 0.594 21.612 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.756 23.027 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.191 20.470 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.225 20.968 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.606 20.437 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.588 19.974 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.304 21.425 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.849 21.592 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.979 18.557 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.519 18.344 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.163 18.883 -3.514 1.00 0.00 H new ATOM 209 N THR A 13 -0.747 22.928 -0.050 1.00 0.00 N ATOM 210 CA THR A 13 -0.908 23.558 1.245 1.00 0.00 C ATOM 211 C THR A 13 -0.773 25.083 1.128 1.00 0.00 C ATOM 212 O THR A 13 -1.596 25.843 1.653 1.00 0.00 O ATOM 213 CB THR A 13 0.148 23.035 2.227 1.00 0.00 C ATOM 214 OG1 THR A 13 0.106 21.593 2.236 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.127 23.545 3.637 1.00 0.00 C ATOM 0 H THR A 13 0.030 22.269 -0.103 1.00 0.00 H new ATOM 0 HA THR A 13 -1.904 23.314 1.615 1.00 0.00 H new ATOM 0 HB THR A 13 1.129 23.389 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.509 21.249 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.634 23.162 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.102 24.635 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.110 23.203 3.962 1.00 0.00 H new ATOM 223 N GLU A 14 0.204 25.507 0.374 1.00 0.00 N ATOM 224 CA GLU A 14 0.496 26.897 0.228 1.00 0.00 C ATOM 225 C GLU A 14 -0.528 27.648 -0.630 1.00 0.00 C ATOM 226 O GLU A 14 -0.661 28.866 -0.519 1.00 0.00 O ATOM 227 CB GLU A 14 1.887 27.077 -0.307 1.00 0.00 C ATOM 228 CG GLU A 14 3.006 26.660 0.638 1.00 0.00 C ATOM 229 CD GLU A 14 4.372 26.974 0.077 1.00 0.00 C ATOM 230 OE1 GLU A 14 5.006 26.100 -0.556 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.837 28.127 0.231 1.00 0.00 O ATOM 0 H GLU A 14 0.820 24.891 -0.157 1.00 0.00 H new ATOM 0 HA GLU A 14 0.430 27.341 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.981 26.505 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.026 28.126 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.881 27.170 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.933 25.591 0.835 1.00 0.00 H new ATOM 238 N LYS A 15 -1.237 26.943 -1.489 1.00 0.00 N ATOM 239 CA LYS A 15 -2.205 27.551 -2.333 1.00 0.00 C ATOM 240 C LYS A 15 -3.593 27.421 -1.781 1.00 0.00 C ATOM 241 O LYS A 15 -4.341 28.398 -1.666 1.00 0.00 O ATOM 242 CB LYS A 15 -2.158 26.868 -3.676 1.00 0.00 C ATOM 243 CG LYS A 15 -1.587 27.712 -4.762 1.00 0.00 C ATOM 244 CD LYS A 15 -0.140 28.039 -4.485 1.00 0.00 C ATOM 245 CE LYS A 15 0.363 29.025 -5.486 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.371 30.310 -5.418 1.00 0.00 N ATOM 0 H LYS A 15 -1.147 25.934 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.971 28.613 -2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.567 25.956 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.168 26.567 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.670 27.190 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.162 28.634 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.037 28.446 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.460 27.130 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.425 29.205 -5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.267 28.606 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.085 31.004 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.355 30.164 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.359 30.665 -4.441 1.00 0.00 H new ATOM 260 N CYS A 16 -3.918 26.242 -1.409 1.00 0.00 N ATOM 261 CA CYS A 16 -5.216 25.896 -1.082 1.00 0.00 C ATOM 262 C CYS A 16 -5.333 25.588 0.387 1.00 0.00 C ATOM 263 O CYS A 16 -6.272 26.009 1.039 1.00 0.00 O ATOM 264 CB CYS A 16 -5.545 24.669 -1.893 1.00 0.00 C ATOM 265 SG CYS A 16 -5.422 24.890 -3.680 1.00 0.00 S ATOM 0 H CYS A 16 -3.251 25.475 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.902 26.716 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.876 23.862 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.558 24.350 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.090 23.762 -4.235 1.00 0.00 H new ATOM 271 N GLY A 17 -4.377 24.863 0.912 1.00 0.00 N ATOM 272 CA GLY A 17 -4.484 24.454 2.251 1.00 0.00 C ATOM 273 C GLY A 17 -4.251 23.000 2.394 1.00 0.00 C ATOM 274 O GLY A 17 -3.247 22.559 2.927 1.00 0.00 O ATOM 0 H GLY A 17 -3.535 24.558 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.763 25.001 2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.475 24.704 2.631 1.00 0.00 H new ATOM 278 N THR A 18 -5.157 22.255 1.861 1.00 0.00 N ATOM 279 CA THR A 18 -5.168 20.821 1.983 1.00 0.00 C ATOM 280 C THR A 18 -5.656 20.239 0.668 1.00 0.00 C ATOM 281 O THR A 18 -6.018 21.010 -0.244 1.00 0.00 O ATOM 282 CB THR A 18 -6.144 20.404 3.109 1.00 0.00 C ATOM 283 OG1 THR A 18 -7.467 20.870 2.783 1.00 0.00 O ATOM 284 CG2 THR A 18 -5.721 20.998 4.447 1.00 0.00 C ATOM 0 H THR A 18 -5.933 22.626 1.313 1.00 0.00 H new ATOM 0 HA THR A 18 -4.168 20.457 2.219 1.00 0.00 H new ATOM 0 HB THR A 18 -6.133 19.317 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.917 21.174 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.424 20.689 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.722 20.645 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.714 22.086 4.376 1.00 0.00 H new ATOM 292 N GLN A 19 -5.728 18.913 0.574 1.00 0.00 N ATOM 293 CA GLN A 19 -6.190 18.251 -0.643 1.00 0.00 C ATOM 294 C GLN A 19 -7.675 18.518 -0.830 1.00 0.00 C ATOM 295 O GLN A 19 -8.166 18.581 -1.950 1.00 0.00 O ATOM 296 CB GLN A 19 -5.920 16.746 -0.596 1.00 0.00 C ATOM 297 CG GLN A 19 -4.448 16.386 -0.413 1.00 0.00 C ATOM 298 CD GLN A 19 -4.177 14.884 -0.424 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.111 14.444 -0.826 1.00 0.00 O ATOM 300 NE2 GLN A 19 -5.124 14.093 0.009 1.00 0.00 N ATOM 0 H GLN A 19 -5.472 18.275 1.328 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.637 18.657 -1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.495 16.309 0.221 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.282 16.293 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.867 16.857 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.096 16.803 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.005 14.486 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.981 13.083 0.016 1.00 0.00 H new ATOM 309 N TYR A 20 -8.374 18.689 0.291 1.00 0.00 N ATOM 310 CA TYR A 20 -9.779 19.063 0.288 1.00 0.00 C ATOM 311 C TYR A 20 -9.938 20.373 -0.425 1.00 0.00 C ATOM 312 O TYR A 20 -10.673 20.483 -1.389 1.00 0.00 O ATOM 313 CB TYR A 20 -10.280 19.255 1.707 1.00 0.00 C ATOM 314 CG TYR A 20 -11.763 19.594 1.783 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.185 20.898 2.022 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.731 18.621 1.592 1.00 0.00 C ATOM 317 CE1 TYR A 20 -13.527 21.221 2.068 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.079 18.934 1.639 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.470 20.237 1.877 1.00 0.00 C ATOM 320 OH TYR A 20 -15.820 20.557 1.924 1.00 0.00 O ATOM 0 H TYR A 20 -7.979 18.571 1.224 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.344 18.271 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.093 18.345 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.708 20.052 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.449 21.673 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.429 17.601 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.835 22.240 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.821 18.163 1.490 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.353 19.750 1.768 1.00 0.00 H new ATOM 330 N ASN A 21 -9.233 21.371 0.077 1.00 0.00 N ATOM 331 CA ASN A 21 -9.268 22.707 -0.500 1.00 0.00 C ATOM 332 C ASN A 21 -8.864 22.687 -1.973 1.00 0.00 C ATOM 333 O ASN A 21 -9.447 23.401 -2.787 1.00 0.00 O ATOM 334 CB ASN A 21 -8.348 23.674 0.221 1.00 0.00 C ATOM 335 CG ASN A 21 -8.750 24.114 1.623 1.00 0.00 C ATOM 336 OD1 ASN A 21 -9.561 25.021 1.785 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.156 23.525 2.642 1.00 0.00 N ATOM 0 H ASN A 21 -8.624 21.282 0.890 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.299 23.045 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.360 23.217 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.248 24.567 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.366 23.821 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.486 22.774 2.477 1.00 0.00 H new ATOM 344 N PHE A 22 -7.842 21.884 -2.287 1.00 0.00 N ATOM 345 CA PHE A 22 -7.361 21.679 -3.664 1.00 0.00 C ATOM 346 C PHE A 22 -8.509 21.270 -4.530 1.00 0.00 C ATOM 347 O PHE A 22 -8.760 21.859 -5.580 1.00 0.00 O ATOM 348 CB PHE A 22 -6.345 20.546 -3.678 1.00 0.00 C ATOM 349 CG PHE A 22 -5.727 20.253 -5.028 1.00 0.00 C ATOM 350 CD1 PHE A 22 -4.717 21.048 -5.538 1.00 0.00 C ATOM 351 CD2 PHE A 22 -6.157 19.167 -5.777 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.148 20.764 -6.769 1.00 0.00 C ATOM 353 CE2 PHE A 22 -5.597 18.882 -7.004 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.590 19.681 -7.501 1.00 0.00 C ATOM 0 H PHE A 22 -7.319 21.353 -1.590 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.912 22.603 -4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.547 20.786 -2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.829 19.640 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.368 21.899 -4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.943 18.535 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.358 21.391 -7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.947 18.034 -7.575 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.148 19.460 -8.461 1.00 0.00 H new ATOM 364 N ALA A 23 -9.197 20.257 -4.058 1.00 0.00 N ATOM 365 CA ALA A 23 -10.351 19.705 -4.725 1.00 0.00 C ATOM 366 C ALA A 23 -11.378 20.795 -5.015 1.00 0.00 C ATOM 367 O ALA A 23 -11.865 20.913 -6.145 1.00 0.00 O ATOM 368 CB ALA A 23 -10.973 18.615 -3.872 1.00 0.00 C ATOM 0 H ALA A 23 -8.966 19.785 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.029 19.274 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.843 18.205 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.243 17.823 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.280 19.034 -2.914 1.00 0.00 H new ATOM 374 N ILE A 24 -11.664 21.611 -3.999 1.00 0.00 N ATOM 375 CA ILE A 24 -12.616 22.707 -4.097 1.00 0.00 C ATOM 376 C ILE A 24 -12.196 23.683 -5.189 1.00 0.00 C ATOM 377 O ILE A 24 -12.990 24.045 -6.055 1.00 0.00 O ATOM 378 CB ILE A 24 -12.681 23.486 -2.769 1.00 0.00 C ATOM 379 CG1 ILE A 24 -12.909 22.538 -1.596 1.00 0.00 C ATOM 380 CG2 ILE A 24 -13.773 24.558 -2.810 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.176 21.727 -1.650 1.00 0.00 C ATOM 0 H ILE A 24 -11.234 21.525 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.590 22.276 -4.330 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.722 23.985 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.063 21.853 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.912 23.122 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.795 25.091 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.562 25.261 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.740 24.086 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.237 21.088 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.036 22.397 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.174 21.108 -2.547 1.00 0.00 H new ATOM 393 N ALA A 25 -10.936 24.074 -5.149 1.00 0.00 N ATOM 394 CA ALA A 25 -10.387 25.031 -6.089 1.00 0.00 C ATOM 395 C ALA A 25 -10.380 24.474 -7.513 1.00 0.00 C ATOM 396 O ALA A 25 -10.631 25.202 -8.477 1.00 0.00 O ATOM 397 CB ALA A 25 -8.992 25.446 -5.654 1.00 0.00 C ATOM 0 H ALA A 25 -10.263 23.735 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.026 25.914 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.588 26.165 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.040 25.902 -4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.346 24.569 -5.618 1.00 0.00 H new ATOM 403 N MET A 26 -10.096 23.185 -7.639 1.00 0.00 N ATOM 404 CA MET A 26 -10.101 22.520 -8.890 1.00 0.00 C ATOM 405 C MET A 26 -11.522 22.415 -9.442 1.00 0.00 C ATOM 406 O MET A 26 -11.759 22.684 -10.622 1.00 0.00 O ATOM 407 CB MET A 26 -9.519 21.149 -8.723 1.00 0.00 C ATOM 408 CG MET A 26 -9.207 20.546 -10.031 1.00 0.00 C ATOM 409 SD MET A 26 -8.471 18.922 -9.936 1.00 0.00 S ATOM 410 CE MET A 26 -8.158 18.682 -11.674 1.00 0.00 C ATOM 0 H MET A 26 -9.855 22.583 -6.851 1.00 0.00 H new ATOM 0 HA MET A 26 -9.501 23.093 -9.596 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.613 21.205 -8.119 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.223 20.514 -8.184 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.124 20.482 -10.616 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.530 21.208 -10.571 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.725 17.694 -11.833 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.094 18.761 -12.227 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.463 19.444 -12.027 1.00 0.00 H new ATOM 420 N GLY A 27 -12.454 22.044 -8.579 1.00 0.00 N ATOM 421 CA GLY A 27 -13.847 21.898 -8.971 1.00 0.00 C ATOM 422 C GLY A 27 -14.338 20.471 -8.791 1.00 0.00 C ATOM 423 O GLY A 27 -15.410 20.089 -9.285 1.00 0.00 O ATOM 0 H GLY A 27 -12.270 21.837 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.464 22.572 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.964 22.194 -10.014 1.00 0.00 H new ATOM 427 N LEU A 28 -13.568 19.684 -8.076 1.00 0.00 N ATOM 428 CA LEU A 28 -13.881 18.290 -7.842 1.00 0.00 C ATOM 429 C LEU A 28 -14.070 18.038 -6.378 1.00 0.00 C ATOM 430 O LEU A 28 -13.782 18.883 -5.547 1.00 0.00 O ATOM 431 CB LEU A 28 -12.779 17.345 -8.380 1.00 0.00 C ATOM 432 CG LEU A 28 -12.807 16.977 -9.873 1.00 0.00 C ATOM 433 CD1 LEU A 28 -12.724 18.195 -10.753 1.00 0.00 C ATOM 434 CD2 LEU A 28 -11.684 16.010 -10.198 1.00 0.00 C ATOM 0 H LEU A 28 -12.701 19.993 -7.637 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.804 18.078 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.813 17.804 -8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.825 16.419 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.763 16.494 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.747 17.890 -11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.570 18.851 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.795 18.728 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.716 15.758 -11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.726 16.473 -9.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.802 15.103 -9.606 1.00 0.00 H new ATOM 446 N SER A 29 -14.558 16.898 -6.069 1.00 0.00 N ATOM 447 CA SER A 29 -14.728 16.510 -4.700 1.00 0.00 C ATOM 448 C SER A 29 -13.439 15.853 -4.213 1.00 0.00 C ATOM 449 O SER A 29 -12.702 15.272 -5.034 1.00 0.00 O ATOM 450 CB SER A 29 -15.881 15.549 -4.610 1.00 0.00 C ATOM 451 OG SER A 29 -17.031 16.079 -5.276 1.00 0.00 O ATOM 0 H SER A 29 -14.855 16.198 -6.749 1.00 0.00 H new ATOM 0 HA SER A 29 -14.941 17.377 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.602 14.595 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.118 15.353 -3.564 1.00 0.00 H new ATOM 0 HG SER A 29 -17.771 15.440 -5.209 1.00 0.00 H new ATOM 457 N GLU A 30 -13.167 15.945 -2.908 1.00 0.00 N ATOM 458 CA GLU A 30 -11.955 15.388 -2.292 1.00 0.00 C ATOM 459 C GLU A 30 -11.770 13.934 -2.682 1.00 0.00 C ATOM 460 O GLU A 30 -10.703 13.541 -3.154 1.00 0.00 O ATOM 461 CB GLU A 30 -12.023 15.483 -0.761 1.00 0.00 C ATOM 462 CG GLU A 30 -10.831 14.835 -0.072 1.00 0.00 C ATOM 463 CD GLU A 30 -10.992 14.703 1.418 1.00 0.00 C ATOM 464 OE1 GLU A 30 -10.408 15.506 2.164 1.00 0.00 O ATOM 465 OE2 GLU A 30 -11.684 13.764 1.873 1.00 0.00 O ATOM 0 H GLU A 30 -13.785 16.411 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.110 15.973 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.078 16.532 -0.470 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.940 15.007 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.669 13.846 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.938 15.423 -0.281 1.00 0.00 H new ATOM 472 N ARG A 31 -12.828 13.164 -2.516 1.00 0.00 N ATOM 473 CA ARG A 31 -12.835 11.731 -2.792 1.00 0.00 C ATOM 474 C ARG A 31 -12.408 11.465 -4.235 1.00 0.00 C ATOM 475 O ARG A 31 -11.610 10.582 -4.505 1.00 0.00 O ATOM 476 CB ARG A 31 -14.247 11.205 -2.594 1.00 0.00 C ATOM 477 CG ARG A 31 -14.351 9.744 -2.224 1.00 0.00 C ATOM 478 CD ARG A 31 -13.722 9.509 -0.866 1.00 0.00 C ATOM 479 NE ARG A 31 -13.974 8.175 -0.357 1.00 0.00 N ATOM 480 CZ ARG A 31 -13.415 7.677 0.746 1.00 0.00 C ATOM 481 NH1 ARG A 31 -12.515 8.395 1.422 1.00 0.00 N ATOM 482 NH2 ARG A 31 -13.766 6.468 1.181 1.00 0.00 N ATOM 0 H ARG A 31 -13.724 13.517 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.139 11.233 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.730 11.794 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.810 11.370 -3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.397 9.438 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.852 9.133 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.646 9.670 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.109 10.243 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.620 7.580 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.255 9.325 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.088 8.013 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.462 5.924 0.670 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.339 6.086 2.025 1.00 0.00 H new ATOM 496 N THR A 32 -12.896 12.297 -5.125 1.00 0.00 N ATOM 497 CA THR A 32 -12.668 12.155 -6.544 1.00 0.00 C ATOM 498 C THR A 32 -11.229 12.546 -6.881 1.00 0.00 C ATOM 499 O THR A 32 -10.556 11.863 -7.645 1.00 0.00 O ATOM 500 CB THR A 32 -13.670 13.036 -7.308 1.00 0.00 C ATOM 501 OG1 THR A 32 -14.983 12.851 -6.734 1.00 0.00 O ATOM 502 CG2 THR A 32 -13.714 12.670 -8.783 1.00 0.00 C ATOM 0 H THR A 32 -13.471 13.103 -4.880 1.00 0.00 H new ATOM 0 HA THR A 32 -12.815 11.117 -6.841 1.00 0.00 H new ATOM 0 HB THR A 32 -13.354 14.076 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.631 13.410 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.432 13.311 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.726 12.808 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.016 11.628 -8.891 1.00 0.00 H new ATOM 510 N VAL A 33 -10.762 13.622 -6.281 1.00 0.00 N ATOM 511 CA VAL A 33 -9.408 14.063 -6.413 1.00 0.00 C ATOM 512 C VAL A 33 -8.471 13.052 -5.956 1.00 0.00 C ATOM 513 O VAL A 33 -7.491 12.767 -6.632 1.00 0.00 O ATOM 514 CB VAL A 33 -9.199 15.340 -5.618 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.773 15.731 -5.557 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.840 16.375 -6.335 1.00 0.00 C ATOM 0 H VAL A 33 -11.331 14.218 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.222 14.249 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.579 15.181 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.672 16.649 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.198 14.937 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.397 15.895 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.717 17.317 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.396 16.459 -7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.902 16.148 -6.431 1.00 0.00 H new ATOM 526 N SER A 34 -8.798 12.448 -4.864 1.00 0.00 N ATOM 527 CA SER A 34 -7.912 11.551 -4.267 1.00 0.00 C ATOM 528 C SER A 34 -7.706 10.297 -5.150 1.00 0.00 C ATOM 529 O SER A 34 -6.758 9.547 -4.975 1.00 0.00 O ATOM 530 CB SER A 34 -8.347 11.197 -2.855 1.00 0.00 C ATOM 531 OG SER A 34 -8.509 12.375 -2.069 1.00 0.00 O ATOM 0 H SER A 34 -9.685 12.571 -4.375 1.00 0.00 H new ATOM 0 HA SER A 34 -6.943 12.043 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.285 10.642 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.606 10.544 -2.393 1.00 0.00 H new ATOM 0 HG SER A 34 -9.288 12.876 -2.388 1.00 0.00 H new ATOM 537 N LEU A 35 -8.603 10.094 -6.105 1.00 0.00 N ATOM 538 CA LEU A 35 -8.466 9.005 -7.020 1.00 0.00 C ATOM 539 C LEU A 35 -7.376 9.326 -8.057 1.00 0.00 C ATOM 540 O LEU A 35 -6.422 8.554 -8.217 1.00 0.00 O ATOM 541 CB LEU A 35 -9.803 8.715 -7.704 1.00 0.00 C ATOM 542 CG LEU A 35 -10.991 8.471 -6.768 1.00 0.00 C ATOM 543 CD1 LEU A 35 -12.264 8.296 -7.557 1.00 0.00 C ATOM 544 CD2 LEU A 35 -10.752 7.265 -5.877 1.00 0.00 C ATOM 0 H LEU A 35 -9.427 10.676 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.167 8.112 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.045 9.554 -8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.681 7.839 -8.342 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.094 9.348 -6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.095 8.124 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.456 9.195 -8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.162 7.442 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.613 7.118 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.610 6.378 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.862 7.431 -5.271 1.00 0.00 H new ATOM 556 N LYS A 36 -7.507 10.478 -8.736 1.00 0.00 N ATOM 557 CA LYS A 36 -6.562 10.903 -9.754 1.00 0.00 C ATOM 558 C LYS A 36 -5.234 11.293 -9.133 1.00 0.00 C ATOM 559 O LYS A 36 -4.172 10.918 -9.618 1.00 0.00 O ATOM 560 CB LYS A 36 -7.078 12.129 -10.535 1.00 0.00 C ATOM 561 CG LYS A 36 -8.352 11.993 -11.377 1.00 0.00 C ATOM 562 CD LYS A 36 -9.610 11.989 -10.546 1.00 0.00 C ATOM 563 CE LYS A 36 -10.864 12.075 -11.412 1.00 0.00 C ATOM 564 NZ LYS A 36 -10.943 11.034 -12.462 1.00 0.00 N ATOM 0 H LYS A 36 -8.275 11.133 -8.586 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.440 10.055 -10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.243 12.931 -9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.278 12.456 -11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.398 12.815 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.302 11.070 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.645 11.080 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.590 12.829 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.742 11.997 -10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.900 13.057 -11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.725 11.254 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.049 11.008 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.111 10.107 -12.020 1.00 0.00 H new ATOM 578 N LEU A 37 -5.313 12.029 -8.049 1.00 0.00 N ATOM 579 CA LEU A 37 -4.149 12.586 -7.396 1.00 0.00 C ATOM 580 C LEU A 37 -3.352 11.546 -6.620 1.00 0.00 C ATOM 581 O LEU A 37 -2.279 11.832 -6.105 1.00 0.00 O ATOM 582 CB LEU A 37 -4.530 13.859 -6.575 1.00 0.00 C ATOM 583 CG LEU A 37 -3.499 14.502 -5.677 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.542 15.318 -6.462 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.137 15.302 -4.554 1.00 0.00 C ATOM 0 H LEU A 37 -6.194 12.261 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.455 12.920 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.864 14.617 -7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.389 13.603 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.936 13.699 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.812 15.769 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.028 14.682 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.082 16.104 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.357 15.746 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.758 16.092 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.754 14.643 -3.943 1.00 0.00 H new ATOM 597 N ASN A 38 -3.847 10.339 -6.552 1.00 0.00 N ATOM 598 CA ASN A 38 -3.074 9.331 -5.929 1.00 0.00 C ATOM 599 C ASN A 38 -2.545 8.359 -6.982 1.00 0.00 C ATOM 600 O ASN A 38 -1.382 8.446 -7.385 1.00 0.00 O ATOM 601 CB ASN A 38 -3.851 8.587 -4.863 1.00 0.00 C ATOM 602 CG ASN A 38 -2.946 7.739 -3.997 1.00 0.00 C ATOM 603 OD1 ASN A 38 -1.772 8.062 -3.783 1.00 0.00 O ATOM 604 ND2 ASN A 38 -3.474 6.675 -3.489 1.00 0.00 N ATOM 0 H ASN A 38 -4.756 10.047 -6.912 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.237 9.818 -5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.387 9.302 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.601 7.952 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.918 6.067 -2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.447 6.443 -3.690 1.00 0.00 H new ATOM 611 N ASP A 39 -3.438 7.496 -7.489 1.00 0.00 N ATOM 612 CA ASP A 39 -3.063 6.447 -8.476 1.00 0.00 C ATOM 613 C ASP A 39 -4.251 5.582 -8.910 1.00 0.00 C ATOM 614 O ASP A 39 -4.060 4.638 -9.677 1.00 0.00 O ATOM 615 CB ASP A 39 -1.979 5.479 -7.933 1.00 0.00 C ATOM 616 CG ASP A 39 -2.480 4.521 -6.853 1.00 0.00 C ATOM 617 OD1 ASP A 39 -2.982 3.413 -7.178 1.00 0.00 O ATOM 618 OD2 ASP A 39 -2.357 4.836 -5.665 1.00 0.00 O ATOM 0 H ASP A 39 -4.427 7.496 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.680 7.011 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.579 4.896 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.154 6.065 -7.529 1.00 0.00 H new ATOM 623 N LYS A 40 -5.476 5.895 -8.467 1.00 0.00 N ATOM 624 CA LYS A 40 -6.610 5.073 -8.786 1.00 0.00 C ATOM 625 C LYS A 40 -6.918 5.189 -10.259 1.00 0.00 C ATOM 626 O LYS A 40 -7.339 4.224 -10.909 1.00 0.00 O ATOM 627 CB LYS A 40 -7.811 5.498 -7.963 1.00 0.00 C ATOM 628 CG LYS A 40 -7.649 5.363 -6.451 1.00 0.00 C ATOM 629 CD LYS A 40 -7.305 3.942 -6.052 1.00 0.00 C ATOM 630 CE LYS A 40 -7.388 3.741 -4.550 1.00 0.00 C ATOM 631 NZ LYS A 40 -6.921 2.397 -4.158 1.00 0.00 N ATOM 0 H LYS A 40 -5.688 6.710 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.379 4.034 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.040 6.538 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.671 4.905 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.866 6.038 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.572 5.667 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.985 3.250 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.299 3.702 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.786 4.498 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.417 3.881 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.991 2.293 -3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.511 1.676 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.931 2.274 -4.452 1.00 0.00 H new ATOM 645 N VAL A 41 -6.712 6.375 -10.759 1.00 0.00 N ATOM 646 CA VAL A 41 -6.840 6.719 -12.123 1.00 0.00 C ATOM 647 C VAL A 41 -5.750 7.722 -12.425 1.00 0.00 C ATOM 648 O VAL A 41 -5.095 8.226 -11.493 1.00 0.00 O ATOM 649 CB VAL A 41 -8.222 7.325 -12.453 1.00 0.00 C ATOM 650 CG1 VAL A 41 -9.295 6.253 -12.537 1.00 0.00 C ATOM 651 CG2 VAL A 41 -8.618 8.360 -11.422 1.00 0.00 C ATOM 0 H VAL A 41 -6.434 7.166 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.748 5.821 -12.734 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.137 7.806 -13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.254 6.716 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.036 5.540 -13.319 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.366 5.734 -11.581 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.595 8.772 -11.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.666 7.894 -10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.879 9.161 -11.408 1.00 0.00 H new ATOM 661 N THR A 42 -5.542 8.009 -13.662 1.00 0.00 N ATOM 662 CA THR A 42 -4.510 8.912 -14.057 1.00 0.00 C ATOM 663 C THR A 42 -5.111 10.249 -14.481 1.00 0.00 C ATOM 664 O THR A 42 -6.318 10.335 -14.771 1.00 0.00 O ATOM 665 CB THR A 42 -3.711 8.287 -15.210 1.00 0.00 C ATOM 666 OG1 THR A 42 -4.633 7.783 -16.180 1.00 0.00 O ATOM 667 CG2 THR A 42 -2.836 7.142 -14.714 1.00 0.00 C ATOM 0 H THR A 42 -6.084 7.624 -14.435 1.00 0.00 H new ATOM 0 HA THR A 42 -3.842 9.095 -13.215 1.00 0.00 H new ATOM 0 HB THR A 42 -3.065 9.049 -15.645 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.138 7.382 -16.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.282 6.718 -15.552 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.135 7.516 -13.968 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.464 6.371 -14.268 1.00 0.00 H new ATOM 675 N TRP A 43 -4.317 11.291 -14.465 1.00 0.00 N ATOM 676 CA TRP A 43 -4.780 12.568 -14.938 1.00 0.00 C ATOM 677 C TRP A 43 -4.739 12.577 -16.437 1.00 0.00 C ATOM 678 O TRP A 43 -3.830 12.006 -17.041 1.00 0.00 O ATOM 679 CB TRP A 43 -3.890 13.722 -14.471 1.00 0.00 C ATOM 680 CG TRP A 43 -3.904 14.047 -13.020 1.00 0.00 C ATOM 681 CD1 TRP A 43 -4.867 14.739 -12.347 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.873 13.766 -12.074 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.506 14.886 -11.035 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.284 14.301 -10.843 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.641 13.105 -12.147 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.513 14.203 -9.698 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.874 13.006 -11.004 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.312 13.555 -9.794 1.00 0.00 C ATOM 0 H TRP A 43 -3.353 11.279 -14.131 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.786 12.706 -14.543 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.863 13.493 -14.756 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.181 14.617 -15.020 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.780 15.116 -12.785 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.058 15.355 -10.317 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.298 12.681 -13.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.848 14.623 -8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.078 12.497 -11.044 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.688 13.465 -8.917 1.00 0.00 H new ATOM 699 N LYS A 44 -5.713 13.186 -17.040 1.00 0.00 N ATOM 700 CA LYS A 44 -5.644 13.441 -18.436 1.00 0.00 C ATOM 701 C LYS A 44 -4.840 14.715 -18.554 1.00 0.00 C ATOM 702 O LYS A 44 -4.785 15.486 -17.582 1.00 0.00 O ATOM 703 CB LYS A 44 -7.038 13.658 -19.019 1.00 0.00 C ATOM 704 CG LYS A 44 -8.020 12.518 -18.787 1.00 0.00 C ATOM 705 CD LYS A 44 -7.566 11.219 -19.437 1.00 0.00 C ATOM 706 CE LYS A 44 -8.577 10.119 -19.183 1.00 0.00 C ATOM 707 NZ LYS A 44 -8.206 8.845 -19.811 1.00 0.00 N ATOM 0 H LYS A 44 -6.564 13.514 -16.583 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.199 12.606 -18.977 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.456 14.569 -18.591 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.944 13.823 -20.092 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.143 12.361 -17.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.996 12.797 -19.183 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.441 11.366 -20.510 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.594 10.927 -19.040 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.683 9.971 -18.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.551 10.434 -19.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.933 8.131 -19.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.131 8.974 -20.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.290 8.526 -19.435 1.00 0.00 H new ATOM 721 N ASP A 45 -4.243 14.963 -19.692 1.00 0.00 N ATOM 722 CA ASP A 45 -3.415 16.166 -19.882 1.00 0.00 C ATOM 723 C ASP A 45 -4.262 17.414 -19.635 1.00 0.00 C ATOM 724 O ASP A 45 -3.817 18.399 -19.028 1.00 0.00 O ATOM 725 CB ASP A 45 -2.824 16.194 -21.295 1.00 0.00 C ATOM 726 CG ASP A 45 -1.727 17.223 -21.450 1.00 0.00 C ATOM 727 OD1 ASP A 45 -2.021 18.424 -21.629 1.00 0.00 O ATOM 728 OD2 ASP A 45 -0.540 16.844 -21.386 1.00 0.00 O ATOM 0 H ASP A 45 -4.304 14.359 -20.511 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.591 16.146 -19.169 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.428 15.208 -21.538 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.618 16.405 -22.012 1.00 0.00 H new ATOM 733 N ASP A 46 -5.514 17.306 -20.030 1.00 0.00 N ATOM 734 CA ASP A 46 -6.527 18.350 -19.875 1.00 0.00 C ATOM 735 C ASP A 46 -6.842 18.587 -18.403 1.00 0.00 C ATOM 736 O ASP A 46 -7.176 19.699 -17.997 1.00 0.00 O ATOM 737 CB ASP A 46 -7.812 17.939 -20.589 1.00 0.00 C ATOM 738 CG ASP A 46 -7.603 17.549 -22.022 1.00 0.00 C ATOM 739 OD1 ASP A 46 -7.201 16.403 -22.276 1.00 0.00 O ATOM 740 OD2 ASP A 46 -7.843 18.366 -22.929 1.00 0.00 O ATOM 0 H ASP A 46 -5.874 16.466 -20.483 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.132 19.268 -20.310 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.263 17.102 -20.055 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.522 18.765 -20.546 1.00 0.00 H new ATOM 745 N GLU A 47 -6.715 17.554 -17.605 1.00 0.00 N ATOM 746 CA GLU A 47 -6.998 17.653 -16.183 1.00 0.00 C ATOM 747 C GLU A 47 -5.821 18.293 -15.483 1.00 0.00 C ATOM 748 O GLU A 47 -5.982 19.012 -14.499 1.00 0.00 O ATOM 749 CB GLU A 47 -7.308 16.279 -15.592 1.00 0.00 C ATOM 750 CG GLU A 47 -8.548 15.626 -16.186 1.00 0.00 C ATOM 751 CD GLU A 47 -9.829 16.362 -15.860 1.00 0.00 C ATOM 752 OE1 GLU A 47 -10.132 17.390 -16.501 1.00 0.00 O ATOM 753 OE2 GLU A 47 -10.578 15.907 -14.976 1.00 0.00 O ATOM 0 H GLU A 47 -6.416 16.629 -17.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.880 18.276 -16.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.452 15.623 -15.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.440 16.378 -14.515 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.436 15.569 -17.269 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.622 14.603 -15.818 1.00 0.00 H new ATOM 760 N ILE A 48 -4.637 18.053 -16.028 1.00 0.00 N ATOM 761 CA ILE A 48 -3.422 18.665 -15.527 1.00 0.00 C ATOM 762 C ILE A 48 -3.509 20.186 -15.726 1.00 0.00 C ATOM 763 O ILE A 48 -3.212 20.948 -14.809 1.00 0.00 O ATOM 764 CB ILE A 48 -2.149 18.096 -16.234 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.050 16.574 -16.022 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.884 18.791 -15.722 1.00 0.00 C ATOM 767 CD1 ILE A 48 -0.869 15.917 -16.719 1.00 0.00 C ATOM 0 H ILE A 48 -4.495 17.432 -16.825 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.330 18.432 -14.466 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.237 18.293 -17.302 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.983 16.372 -14.953 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.970 16.110 -16.377 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.012 18.378 -16.229 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.949 19.860 -15.924 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.790 18.630 -14.648 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.877 14.846 -16.516 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.942 16.083 -17.794 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.060 16.350 -16.347 1.00 0.00 H new ATOM 779 N LEU A 49 -4.015 20.604 -16.915 1.00 0.00 N ATOM 780 CA LEU A 49 -4.208 21.992 -17.293 1.00 0.00 C ATOM 781 C LEU A 49 -4.987 22.736 -16.223 1.00 0.00 C ATOM 782 O LEU A 49 -4.689 23.881 -15.870 1.00 0.00 O ATOM 783 CB LEU A 49 -5.090 22.021 -18.525 1.00 0.00 C ATOM 784 CG LEU A 49 -4.628 21.375 -19.807 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.746 21.527 -20.831 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.361 22.034 -20.314 1.00 0.00 C ATOM 0 H LEU A 49 -4.302 19.951 -17.644 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.230 22.447 -17.448 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.039 21.558 -18.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.299 23.067 -18.748 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.405 20.322 -19.636 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.442 21.069 -21.772 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.646 21.036 -20.462 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.950 22.585 -20.992 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.046 21.552 -21.240 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.550 23.091 -20.501 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.574 21.933 -19.566 1.00 0.00 H new ATOM 798 N LYS A 50 -5.985 22.057 -15.738 1.00 0.00 N ATOM 799 CA LYS A 50 -6.931 22.563 -14.799 1.00 0.00 C ATOM 800 C LYS A 50 -6.261 22.862 -13.459 1.00 0.00 C ATOM 801 O LYS A 50 -6.481 23.912 -12.868 1.00 0.00 O ATOM 802 CB LYS A 50 -7.987 21.510 -14.667 1.00 0.00 C ATOM 803 CG LYS A 50 -9.329 22.035 -14.264 1.00 0.00 C ATOM 804 CD LYS A 50 -10.406 21.063 -14.604 1.00 0.00 C ATOM 805 CE LYS A 50 -10.575 20.960 -16.105 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.404 19.807 -16.508 1.00 0.00 N ATOM 0 H LYS A 50 -6.166 21.089 -16.002 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.364 23.505 -15.134 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.084 20.988 -15.619 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.661 20.775 -13.932 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.339 22.234 -13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.518 22.984 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.163 20.084 -14.192 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.345 21.377 -14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.030 21.877 -16.479 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.594 20.877 -16.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.685 19.912 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.858 18.930 -16.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.255 19.766 -15.911 1.00 0.00 H new ATOM 820 N ALA A 51 -5.398 21.959 -13.019 1.00 0.00 N ATOM 821 CA ALA A 51 -4.671 22.139 -11.767 1.00 0.00 C ATOM 822 C ALA A 51 -3.611 23.233 -11.922 1.00 0.00 C ATOM 823 O ALA A 51 -3.460 24.091 -11.047 1.00 0.00 O ATOM 824 CB ALA A 51 -4.040 20.829 -11.324 1.00 0.00 C ATOM 0 H ALA A 51 -5.182 21.091 -13.510 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.375 22.452 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.502 20.982 -10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.819 20.081 -11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.346 20.482 -12.089 1.00 0.00 H new ATOM 830 N VAL A 52 -2.915 23.214 -13.065 1.00 0.00 N ATOM 831 CA VAL A 52 -1.888 24.220 -13.426 1.00 0.00 C ATOM 832 C VAL A 52 -2.456 25.629 -13.318 1.00 0.00 C ATOM 833 O VAL A 52 -1.828 26.524 -12.764 1.00 0.00 O ATOM 834 CB VAL A 52 -1.378 23.986 -14.891 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.421 25.076 -15.356 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.688 22.651 -14.997 1.00 0.00 C ATOM 0 H VAL A 52 -3.044 22.496 -13.778 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.056 24.111 -12.730 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.257 24.011 -15.535 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.098 24.866 -16.376 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.927 26.041 -15.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.448 25.102 -14.698 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.339 22.502 -16.019 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.163 22.626 -14.316 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.388 21.858 -14.733 1.00 0.00 H new ATOM 846 N HIS A 53 -3.661 25.782 -13.793 1.00 0.00 N ATOM 847 CA HIS A 53 -4.351 27.065 -13.839 1.00 0.00 C ATOM 848 C HIS A 53 -4.657 27.591 -12.443 1.00 0.00 C ATOM 849 O HIS A 53 -4.656 28.794 -12.206 1.00 0.00 O ATOM 850 CB HIS A 53 -5.651 26.877 -14.598 1.00 0.00 C ATOM 851 CG HIS A 53 -6.391 28.146 -14.920 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.228 28.840 -16.098 1.00 0.00 N ATOM 853 CD2 HIS A 53 -7.328 28.823 -14.218 1.00 0.00 C ATOM 854 CE1 HIS A 53 -7.036 29.881 -16.102 1.00 0.00 C ATOM 855 NE2 HIS A 53 -7.711 29.890 -14.974 1.00 0.00 N ATOM 0 H HIS A 53 -4.212 25.010 -14.169 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.706 27.792 -14.333 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.437 26.353 -15.530 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.306 26.232 -14.012 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.703 28.565 -13.239 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.128 30.605 -16.898 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.409 30.584 -14.708 1.00 0.00 H new ATOM 863 N VAL A 54 -4.895 26.698 -11.543 1.00 0.00 N ATOM 864 CA VAL A 54 -5.323 27.058 -10.205 1.00 0.00 C ATOM 865 C VAL A 54 -4.120 27.324 -9.327 1.00 0.00 C ATOM 866 O VAL A 54 -4.026 28.343 -8.641 1.00 0.00 O ATOM 867 CB VAL A 54 -6.210 25.935 -9.595 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.559 26.233 -8.148 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.489 25.773 -10.407 1.00 0.00 C ATOM 0 H VAL A 54 -4.803 25.694 -11.699 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.919 27.969 -10.262 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.639 25.007 -9.627 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.179 25.430 -7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.644 26.309 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.105 27.175 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.100 24.984 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.046 26.710 -10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.237 25.509 -11.434 1.00 0.00 H new ATOM 879 N LEU A 55 -3.190 26.432 -9.407 1.00 0.00 N ATOM 880 CA LEU A 55 -1.996 26.438 -8.642 1.00 0.00 C ATOM 881 C LEU A 55 -0.968 27.443 -9.174 1.00 0.00 C ATOM 882 O LEU A 55 0.108 27.614 -8.581 1.00 0.00 O ATOM 883 CB LEU A 55 -1.469 25.032 -8.699 1.00 0.00 C ATOM 884 CG LEU A 55 -2.027 23.987 -7.713 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.209 23.955 -6.437 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.494 24.227 -7.350 1.00 0.00 C ATOM 0 H LEU A 55 -3.250 25.637 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.195 26.753 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.639 24.657 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.390 25.078 -8.554 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.960 23.030 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.623 23.210 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.177 23.697 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.238 24.935 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.827 23.458 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.598 25.207 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.103 24.187 -8.253 1.00 0.00 H new ATOM 898 N GLU A 56 -1.307 28.074 -10.303 1.00 0.00 N ATOM 899 CA GLU A 56 -0.480 29.093 -10.977 1.00 0.00 C ATOM 900 C GLU A 56 0.823 28.467 -11.469 1.00 0.00 C ATOM 901 O GLU A 56 1.881 29.116 -11.491 1.00 0.00 O ATOM 902 CB GLU A 56 -0.152 30.268 -10.051 1.00 0.00 C ATOM 903 CG GLU A 56 -1.331 30.979 -9.431 1.00 0.00 C ATOM 904 CD GLU A 56 -0.859 32.090 -8.532 1.00 0.00 C ATOM 905 OE1 GLU A 56 -0.151 31.808 -7.551 1.00 0.00 O ATOM 906 OE2 GLU A 56 -1.164 33.254 -8.787 1.00 0.00 O ATOM 0 H GLU A 56 -2.184 27.889 -10.789 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.058 29.473 -11.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.488 29.903 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.429 30.997 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.973 31.384 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.932 30.271 -8.860 1.00 0.00 H new ATOM 913 N LEU A 57 0.728 27.238 -11.908 1.00 0.00 N ATOM 914 CA LEU A 57 1.881 26.488 -12.319 1.00 0.00 C ATOM 915 C LEU A 57 2.312 26.831 -13.732 1.00 0.00 C ATOM 916 O LEU A 57 1.675 27.642 -14.423 1.00 0.00 O ATOM 917 CB LEU A 57 1.640 25.003 -12.194 1.00 0.00 C ATOM 918 CG LEU A 57 1.265 24.479 -10.809 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.064 22.972 -10.841 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.311 24.861 -9.773 1.00 0.00 C ATOM 0 H LEU A 57 -0.153 26.731 -11.990 1.00 0.00 H new ATOM 0 HA LEU A 57 2.692 26.769 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.845 24.729 -12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.541 24.484 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 57 0.323 24.945 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.798 22.619 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.264 22.726 -11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.987 22.489 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.016 24.474 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.275 24.437 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.393 25.947 -9.722 1.00 0.00 H new ATOM 932 N ASN A 58 3.371 26.205 -14.151 1.00 0.00 N ATOM 933 CA ASN A 58 3.964 26.404 -15.441 1.00 0.00 C ATOM 934 C ASN A 58 4.245 25.030 -16.047 1.00 0.00 C ATOM 935 O ASN A 58 4.467 24.084 -15.299 1.00 0.00 O ATOM 936 CB ASN A 58 5.286 27.167 -15.247 1.00 0.00 C ATOM 937 CG ASN A 58 6.006 27.458 -16.536 1.00 0.00 C ATOM 938 OD1 ASN A 58 6.814 26.664 -17.008 1.00 0.00 O ATOM 939 ND2 ASN A 58 5.722 28.580 -17.106 1.00 0.00 N ATOM 0 H ASN A 58 3.864 25.516 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 58 3.306 26.971 -16.099 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.082 28.107 -14.734 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.940 26.585 -14.598 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.176 28.836 -17.983 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.044 29.211 -16.680 1.00 0.00 H new ATOM 946 N PRO A 59 4.190 24.874 -17.385 1.00 0.00 N ATOM 947 CA PRO A 59 4.531 23.612 -18.073 1.00 0.00 C ATOM 948 C PRO A 59 5.899 23.015 -17.647 1.00 0.00 C ATOM 949 O PRO A 59 6.068 21.794 -17.620 1.00 0.00 O ATOM 950 CB PRO A 59 4.568 24.000 -19.563 1.00 0.00 C ATOM 951 CG PRO A 59 4.434 25.489 -19.599 1.00 0.00 C ATOM 952 CD PRO A 59 3.716 25.874 -18.347 1.00 0.00 C ATOM 0 HA PRO A 59 3.806 22.836 -17.829 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.501 23.680 -20.028 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.757 23.521 -20.112 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.412 25.967 -19.649 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.878 25.808 -20.480 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.964 26.888 -18.033 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.634 25.835 -18.472 1.00 0.00 H new ATOM 960 N GLN A 60 6.853 23.870 -17.285 1.00 0.00 N ATOM 961 CA GLN A 60 8.179 23.399 -16.878 1.00 0.00 C ATOM 962 C GLN A 60 8.192 23.003 -15.404 1.00 0.00 C ATOM 963 O GLN A 60 9.117 22.338 -14.931 1.00 0.00 O ATOM 964 CB GLN A 60 9.247 24.457 -17.122 1.00 0.00 C ATOM 965 CG GLN A 60 9.346 24.941 -18.551 1.00 0.00 C ATOM 966 CD GLN A 60 10.563 25.826 -18.760 1.00 0.00 C ATOM 967 OE1 GLN A 60 11.588 25.656 -18.102 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.477 26.766 -19.654 1.00 0.00 N ATOM 0 H GLN A 60 6.737 24.883 -17.264 1.00 0.00 H new ATOM 0 HA GLN A 60 8.405 22.524 -17.488 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.045 25.312 -16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.214 24.053 -16.822 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.399 24.084 -19.223 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.444 25.495 -18.811 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.615 26.886 -20.186 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.271 27.383 -19.823 1.00 0.00 H new ATOM 977 N ASP A 61 7.155 23.401 -14.694 1.00 0.00 N ATOM 978 CA ASP A 61 6.997 23.132 -13.292 1.00 0.00 C ATOM 979 C ASP A 61 6.383 21.753 -13.090 1.00 0.00 C ATOM 980 O ASP A 61 6.516 21.154 -12.036 1.00 0.00 O ATOM 981 CB ASP A 61 6.072 24.192 -12.703 1.00 0.00 C ATOM 982 CG ASP A 61 6.763 25.317 -11.965 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.199 26.292 -12.597 1.00 0.00 O ATOM 984 OD2 ASP A 61 6.869 25.266 -10.738 1.00 0.00 O ATOM 0 H ASP A 61 6.383 23.934 -15.094 1.00 0.00 H new ATOM 0 HA ASP A 61 7.968 23.157 -12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.478 24.620 -13.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.377 23.704 -12.019 1.00 0.00 H new ATOM 989 N ILE A 62 5.761 21.250 -14.148 1.00 0.00 N ATOM 990 CA ILE A 62 5.036 19.963 -14.167 1.00 0.00 C ATOM 991 C ILE A 62 5.781 18.739 -13.558 1.00 0.00 C ATOM 992 O ILE A 62 5.192 18.043 -12.710 1.00 0.00 O ATOM 993 CB ILE A 62 4.526 19.614 -15.594 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.505 20.665 -16.067 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.938 18.190 -15.673 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.317 20.848 -15.150 1.00 0.00 C ATOM 0 H ILE A 62 5.740 21.731 -15.047 1.00 0.00 H new ATOM 0 HA ILE A 62 4.197 20.145 -13.495 1.00 0.00 H new ATOM 0 HB ILE A 62 5.385 19.633 -16.265 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.014 21.623 -16.176 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.144 20.382 -17.056 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.596 17.994 -16.689 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.705 17.464 -15.402 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.098 18.105 -14.984 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.652 21.607 -15.563 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.779 19.905 -15.059 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.662 21.165 -14.166 1.00 0.00 H new ATOM 1008 N PRO A 63 7.086 18.467 -13.904 1.00 0.00 N ATOM 1009 CA PRO A 63 7.758 17.231 -13.474 1.00 0.00 C ATOM 1010 C PRO A 63 8.103 17.228 -12.005 1.00 0.00 C ATOM 1011 O PRO A 63 8.596 16.263 -11.480 1.00 0.00 O ATOM 1012 CB PRO A 63 9.024 17.223 -14.304 1.00 0.00 C ATOM 1013 CG PRO A 63 9.343 18.651 -14.496 1.00 0.00 C ATOM 1014 CD PRO A 63 8.022 19.327 -14.680 1.00 0.00 C ATOM 0 HA PRO A 63 7.121 16.358 -13.613 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.832 16.700 -13.792 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.871 16.718 -15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.875 19.055 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.985 18.798 -15.365 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.037 20.349 -14.301 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.741 19.381 -15.732 1.00 0.00 H new ATOM 1022 N LYS A 64 7.861 18.315 -11.375 1.00 0.00 N ATOM 1023 CA LYS A 64 8.137 18.454 -9.968 1.00 0.00 C ATOM 1024 C LYS A 64 6.892 18.092 -9.163 1.00 0.00 C ATOM 1025 O LYS A 64 6.953 17.892 -7.950 1.00 0.00 O ATOM 1026 CB LYS A 64 8.504 19.896 -9.661 1.00 0.00 C ATOM 1027 CG LYS A 64 9.454 20.543 -10.664 1.00 0.00 C ATOM 1028 CD LYS A 64 9.879 21.939 -10.213 1.00 0.00 C ATOM 1029 CE LYS A 64 8.673 22.822 -9.963 1.00 0.00 C ATOM 1030 NZ LYS A 64 9.040 24.198 -9.612 1.00 0.00 N ATOM 0 H LYS A 64 7.463 19.148 -11.810 1.00 0.00 H new ATOM 0 HA LYS A 64 8.961 17.792 -9.702 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.589 20.487 -9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.960 19.937 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.336 19.915 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.969 20.606 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.474 21.865 -9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.514 22.393 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.046 22.834 -10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.075 22.394 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.322 24.854 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.094 24.290 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.965 24.427 -10.028 1.00 0.00 H new ATOM 1044 N TYR A 65 5.761 18.026 -9.845 1.00 0.00 N ATOM 1045 CA TYR A 65 4.509 17.815 -9.192 1.00 0.00 C ATOM 1046 C TYR A 65 3.843 16.536 -9.634 1.00 0.00 C ATOM 1047 O TYR A 65 3.610 15.637 -8.839 1.00 0.00 O ATOM 1048 CB TYR A 65 3.589 18.989 -9.490 1.00 0.00 C ATOM 1049 CG TYR A 65 4.111 20.302 -8.990 1.00 0.00 C ATOM 1050 CD1 TYR A 65 4.432 21.324 -9.856 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.306 20.499 -7.651 1.00 0.00 C ATOM 1052 CE1 TYR A 65 4.938 22.518 -9.389 1.00 0.00 C ATOM 1053 CE2 TYR A 65 4.808 21.689 -7.164 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.122 22.696 -8.044 1.00 0.00 C ATOM 1055 OH TYR A 65 5.623 23.886 -7.578 1.00 0.00 O ATOM 0 H TYR A 65 5.699 18.118 -10.859 1.00 0.00 H new ATOM 0 HA TYR A 65 4.701 17.734 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.435 19.055 -10.567 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.615 18.800 -9.040 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.285 21.188 -10.917 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.062 19.706 -6.959 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.188 23.309 -10.080 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.952 21.827 -6.103 1.00 0.00 H new ATOM 0 HH TYR A 65 5.357 24.611 -8.181 1.00 0.00 H new ATOM 1065 N PHE A 66 3.584 16.444 -10.911 1.00 0.00 N ATOM 1066 CA PHE A 66 2.807 15.350 -11.469 1.00 0.00 C ATOM 1067 C PHE A 66 3.720 14.249 -11.976 1.00 0.00 C ATOM 1068 O PHE A 66 3.399 13.556 -12.942 1.00 0.00 O ATOM 1069 CB PHE A 66 1.933 15.882 -12.619 1.00 0.00 C ATOM 1070 CG PHE A 66 0.985 16.979 -12.210 1.00 0.00 C ATOM 1071 CD1 PHE A 66 1.316 18.312 -12.405 1.00 0.00 C ATOM 1072 CD2 PHE A 66 -0.229 16.676 -11.623 1.00 0.00 C ATOM 1073 CE1 PHE A 66 0.452 19.317 -12.022 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -1.099 17.676 -11.239 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.757 18.999 -11.438 1.00 0.00 C ATOM 0 H PHE A 66 3.903 17.123 -11.602 1.00 0.00 H new ATOM 0 HA PHE A 66 2.171 14.933 -10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.581 16.253 -13.413 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.358 15.056 -13.037 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.261 18.566 -12.862 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.500 15.643 -11.463 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.721 20.351 -12.179 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.045 17.424 -10.784 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.435 19.784 -11.137 1.00 0.00 H new