USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=20 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 36 LYS NZ :NH3+ 179:sc= 1.65 (180deg=1.65) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -145:sc= 1.05 (180deg=0.882) USER MOD Set 2.1: A 18 THR OG1 : rot -160:sc= 0.187 USER MOD Set 2.2: A 21 ASN : amide:sc= 0.959 K(o=1.1,f=-0.35) USER MOD Single : A 5 TYR OH : rot 165:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= 0.948 (180deg=0.0583) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 2.3 (180deg=1.87) USER MOD Single : A 16 CYS SG : rot 110:sc= -0.136 USER MOD Single : A 19 GLN : amide:sc= -1.15 K(o=-1.2,f=-2.8) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 169:sc= -0.739 (180deg=-0.888) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 174:sc= -0.272 USER MOD Single : A 34 SER OG : rot 80:sc= 1.27 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0011 F(o=-0.99,f=-0.0011) 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 50 LYS NZ :NH3+ -122:sc= 1.18 (180deg=0.225) USER MOD Single : A 53 HIS : no HD1:sc= -0.0608 X(o=-0.061,f=-0.012) USER MOD Single : A 58 ASN : amide:sc= -0.168 K(o=-0.17,f=-5.8!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 1.19 (180deg=1.13) USER MOD Single : A 65 TYR OH : rot -156:sc= 0.805 USER MOD ----------------------------------------------------------------- ATOM 80 N TYR A 5 5.270 14.225 -4.557 1.00 0.00 N ATOM 81 CA TYR A 5 4.138 15.136 -4.436 1.00 0.00 C ATOM 82 C TYR A 5 4.288 16.168 -3.331 1.00 0.00 C ATOM 83 O TYR A 5 3.368 16.934 -3.118 1.00 0.00 O ATOM 84 CB TYR A 5 2.818 14.380 -4.228 1.00 0.00 C ATOM 85 CG TYR A 5 2.509 13.369 -5.292 1.00 0.00 C ATOM 86 CD1 TYR A 5 1.984 13.750 -6.527 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.749 12.022 -5.065 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.714 12.801 -7.494 1.00 0.00 C ATOM 89 CE2 TYR A 5 2.479 11.079 -6.023 1.00 0.00 C ATOM 90 CZ TYR A 5 1.963 11.470 -7.232 1.00 0.00 C ATOM 91 OH TYR A 5 1.694 10.527 -8.182 1.00 0.00 O ATOM 0 HA TYR A 5 4.119 15.670 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.851 13.875 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.003 15.102 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.788 14.793 -6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.157 11.710 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.310 13.100 -8.450 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.672 10.035 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 5 2.138 9.687 -7.944 1.00 0.00 H new ATOM 101 N SER A 6 5.428 16.229 -2.646 1.00 0.00 N ATOM 102 CA SER A 6 5.598 17.241 -1.598 1.00 0.00 C ATOM 103 C SER A 6 5.541 18.645 -2.202 1.00 0.00 C ATOM 104 O SER A 6 5.008 19.580 -1.589 1.00 0.00 O ATOM 105 CB SER A 6 6.900 17.036 -0.836 1.00 0.00 C ATOM 106 OG SER A 6 6.944 15.740 -0.268 1.00 0.00 O ATOM 0 H SER A 6 6.227 15.612 -2.788 1.00 0.00 H new ATOM 0 HA SER A 6 4.779 17.132 -0.887 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.747 17.174 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.991 17.787 -0.051 1.00 0.00 H new ATOM 0 HG SER A 6 7.788 15.624 0.217 1.00 0.00 H new ATOM 112 N SER A 7 6.040 18.766 -3.424 1.00 0.00 N ATOM 113 CA SER A 7 6.015 20.007 -4.160 1.00 0.00 C ATOM 114 C SER A 7 4.556 20.409 -4.426 1.00 0.00 C ATOM 115 O SER A 7 4.161 21.570 -4.285 1.00 0.00 O ATOM 116 CB SER A 7 6.724 19.772 -5.490 1.00 0.00 C ATOM 117 OG SER A 7 7.942 19.063 -5.284 1.00 0.00 O ATOM 0 H SER A 7 6.476 17.995 -3.930 1.00 0.00 H new ATOM 0 HA SER A 7 6.507 20.800 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.076 19.207 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.929 20.727 -5.974 1.00 0.00 H new ATOM 0 HG SER A 7 8.386 18.918 -6.146 1.00 0.00 H new ATOM 123 N LEU A 8 3.758 19.409 -4.739 1.00 0.00 N ATOM 124 CA LEU A 8 2.386 19.596 -5.128 1.00 0.00 C ATOM 125 C LEU A 8 1.533 19.869 -3.884 1.00 0.00 C ATOM 126 O LEU A 8 0.785 20.845 -3.843 1.00 0.00 O ATOM 127 CB LEU A 8 1.938 18.347 -5.950 1.00 0.00 C ATOM 128 CG LEU A 8 0.662 18.444 -6.823 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.572 17.257 -7.750 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.547 18.430 -5.981 1.00 0.00 C ATOM 0 H LEU A 8 4.053 18.433 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 8 2.258 20.467 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.764 18.069 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.796 17.525 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 8 0.723 19.375 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.329 17.338 -8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.447 17.235 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.533 16.339 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.432 18.499 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.581 17.503 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.523 19.278 -5.296 1.00 0.00 H new ATOM 142 N LEU A 9 1.716 19.045 -2.860 1.00 0.00 N ATOM 143 CA LEU A 9 1.025 19.136 -1.598 1.00 0.00 C ATOM 144 C LEU A 9 1.298 20.506 -0.954 1.00 0.00 C ATOM 145 O LEU A 9 0.409 21.107 -0.316 1.00 0.00 O ATOM 146 CB LEU A 9 1.576 17.998 -0.747 1.00 0.00 C ATOM 147 CG LEU A 9 0.784 17.492 0.447 1.00 0.00 C ATOM 148 CD1 LEU A 9 0.694 18.496 1.592 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.588 16.993 0.034 1.00 0.00 C ATOM 0 H LEU A 9 2.377 18.269 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.056 19.050 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.742 17.149 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.553 18.312 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 9 1.349 16.646 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.114 18.066 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.697 18.735 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.206 19.405 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.126 16.639 0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.146 17.806 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.479 16.175 -0.678 1.00 0.00 H new ATOM 161 N GLY A 10 2.516 20.997 -1.142 1.00 0.00 N ATOM 162 CA GLY A 10 2.895 22.294 -0.635 1.00 0.00 C ATOM 163 C GLY A 10 2.057 23.401 -1.234 1.00 0.00 C ATOM 164 O GLY A 10 1.513 24.234 -0.512 1.00 0.00 O ATOM 0 H GLY A 10 3.256 20.508 -1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.789 22.305 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.947 22.476 -0.854 1.00 0.00 H new ATOM 168 N LYS A 11 1.892 23.372 -2.551 1.00 0.00 N ATOM 169 CA LYS A 11 1.125 24.353 -3.248 1.00 0.00 C ATOM 170 C LYS A 11 -0.335 24.222 -2.918 1.00 0.00 C ATOM 171 O LYS A 11 -1.047 25.223 -2.816 1.00 0.00 O ATOM 172 CB LYS A 11 1.369 24.233 -4.732 1.00 0.00 C ATOM 173 CG LYS A 11 2.751 24.664 -5.154 1.00 0.00 C ATOM 174 CD LYS A 11 2.969 26.148 -4.886 1.00 0.00 C ATOM 175 CE LYS A 11 4.381 26.580 -5.213 1.00 0.00 C ATOM 176 NZ LYS A 11 4.596 28.011 -4.905 1.00 0.00 N ATOM 0 H LYS A 11 2.296 22.655 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 11 1.442 25.346 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.212 23.198 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.632 24.835 -5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.498 24.081 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.891 24.459 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.265 26.731 -5.479 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.757 26.362 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.088 25.975 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.582 26.400 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.503 28.127 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.613 28.558 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.824 28.356 -4.300 1.00 0.00 H new ATOM 190 N ILE A 12 -0.772 22.995 -2.735 1.00 0.00 N ATOM 191 CA ILE A 12 -2.137 22.726 -2.305 1.00 0.00 C ATOM 192 C ILE A 12 -2.410 23.441 -0.993 1.00 0.00 C ATOM 193 O ILE A 12 -3.382 24.170 -0.866 1.00 0.00 O ATOM 194 CB ILE A 12 -2.416 21.214 -2.103 1.00 0.00 C ATOM 195 CG1 ILE A 12 -2.285 20.451 -3.410 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.797 21.000 -1.506 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.549 18.967 -3.273 1.00 0.00 C ATOM 0 H ILE A 12 -0.203 22.161 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.792 23.088 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.670 20.828 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.981 20.870 -4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.281 20.598 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.974 19.933 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.858 21.502 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.551 21.411 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.438 18.486 -4.245 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.837 18.534 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.563 18.810 -2.905 1.00 0.00 H new ATOM 209 N THR A 13 -1.514 23.285 -0.057 1.00 0.00 N ATOM 210 CA THR A 13 -1.684 23.864 1.253 1.00 0.00 C ATOM 211 C THR A 13 -1.579 25.406 1.192 1.00 0.00 C ATOM 212 O THR A 13 -2.247 26.124 1.937 1.00 0.00 O ATOM 213 CB THR A 13 -0.638 23.293 2.233 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.629 21.841 2.139 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.987 23.691 3.658 1.00 0.00 C ATOM 0 H THR A 13 -0.650 22.757 -0.177 1.00 0.00 H new ATOM 0 HA THR A 13 -2.679 23.604 1.613 1.00 0.00 H new ATOM 0 HB THR A 13 0.343 23.691 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.191 21.570 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.243 23.283 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.998 24.778 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.970 23.298 3.915 1.00 0.00 H new ATOM 223 N GLU A 14 -0.813 25.879 0.245 1.00 0.00 N ATOM 224 CA GLU A 14 -0.528 27.256 0.074 1.00 0.00 C ATOM 225 C GLU A 14 -1.707 27.998 -0.512 1.00 0.00 C ATOM 226 O GLU A 14 -2.091 29.067 -0.043 1.00 0.00 O ATOM 227 CB GLU A 14 0.650 27.337 -0.867 1.00 0.00 C ATOM 228 CG GLU A 14 1.176 28.714 -1.135 1.00 0.00 C ATOM 229 CD GLU A 14 2.446 28.699 -1.971 1.00 0.00 C ATOM 230 OE1 GLU A 14 2.376 28.786 -3.212 1.00 0.00 O ATOM 231 OE2 GLU A 14 3.550 28.590 -1.384 1.00 0.00 O ATOM 0 H GLU A 14 -0.360 25.283 -0.448 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.310 27.718 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.460 26.732 -0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.364 26.886 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.413 29.297 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.374 29.215 -0.187 1.00 0.00 H new ATOM 238 N LYS A 15 -2.274 27.424 -1.515 1.00 0.00 N ATOM 239 CA LYS A 15 -3.287 28.071 -2.268 1.00 0.00 C ATOM 240 C LYS A 15 -4.669 27.701 -1.843 1.00 0.00 C ATOM 241 O LYS A 15 -5.580 28.534 -1.831 1.00 0.00 O ATOM 242 CB LYS A 15 -3.116 27.689 -3.700 1.00 0.00 C ATOM 243 CG LYS A 15 -2.644 28.817 -4.580 1.00 0.00 C ATOM 244 CD LYS A 15 -1.241 29.244 -4.183 1.00 0.00 C ATOM 245 CE LYS A 15 -0.818 30.511 -4.884 1.00 0.00 C ATOM 246 NZ LYS A 15 -0.824 30.370 -6.341 1.00 0.00 N ATOM 0 H LYS A 15 -2.045 26.484 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.178 29.144 -2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.402 26.868 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.066 27.316 -4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.654 28.502 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.326 29.663 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.199 29.395 -3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.538 28.446 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.487 31.323 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.182 30.790 -4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.354 31.192 -6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.317 29.502 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.806 30.316 -6.680 1.00 0.00 H new ATOM 260 N CYS A 16 -4.838 26.482 -1.507 1.00 0.00 N ATOM 261 CA CYS A 16 -6.097 25.970 -1.259 1.00 0.00 C ATOM 262 C CYS A 16 -6.263 25.706 0.199 1.00 0.00 C ATOM 263 O CYS A 16 -7.312 25.956 0.765 1.00 0.00 O ATOM 264 CB CYS A 16 -6.229 24.703 -2.064 1.00 0.00 C ATOM 265 SG CYS A 16 -6.074 24.939 -3.849 1.00 0.00 S ATOM 0 H CYS A 16 -4.079 25.809 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.875 26.677 -1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.467 23.996 -1.735 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.197 24.250 -1.852 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.955 24.420 -4.260 1.00 0.00 H new ATOM 271 N GLY A 17 -5.230 25.226 0.813 1.00 0.00 N ATOM 272 CA GLY A 17 -5.306 24.884 2.172 1.00 0.00 C ATOM 273 C GLY A 17 -5.161 23.419 2.359 1.00 0.00 C ATOM 274 O GLY A 17 -4.202 22.935 2.944 1.00 0.00 O ATOM 0 H GLY A 17 -4.321 25.066 0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.525 25.404 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.261 25.214 2.581 1.00 0.00 H new ATOM 278 N THR A 18 -6.097 22.712 1.826 1.00 0.00 N ATOM 279 CA THR A 18 -6.168 21.288 1.967 1.00 0.00 C ATOM 280 C THR A 18 -6.493 20.685 0.618 1.00 0.00 C ATOM 281 O THR A 18 -6.895 21.419 -0.311 1.00 0.00 O ATOM 282 CB THR A 18 -7.284 20.921 2.970 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.549 21.381 2.462 1.00 0.00 O ATOM 284 CG2 THR A 18 -7.018 21.592 4.303 1.00 0.00 C ATOM 0 H THR A 18 -6.852 23.110 1.268 1.00 0.00 H new ATOM 0 HA THR A 18 -5.216 20.904 2.333 1.00 0.00 H new ATOM 0 HB THR A 18 -7.304 19.839 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.193 21.445 3.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.808 21.330 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.058 21.256 4.694 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.997 22.673 4.168 1.00 0.00 H new ATOM 292 N GLN A 19 -6.353 19.375 0.506 1.00 0.00 N ATOM 293 CA GLN A 19 -6.640 18.641 -0.724 1.00 0.00 C ATOM 294 C GLN A 19 -8.118 18.644 -0.956 1.00 0.00 C ATOM 295 O GLN A 19 -8.605 18.515 -2.078 1.00 0.00 O ATOM 296 CB GLN A 19 -6.122 17.193 -0.653 1.00 0.00 C ATOM 297 CG GLN A 19 -4.614 17.070 -0.533 1.00 0.00 C ATOM 298 CD GLN A 19 -4.046 17.466 0.821 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.698 18.618 1.055 1.00 0.00 O ATOM 300 NE2 GLN A 19 -3.947 16.527 1.710 1.00 0.00 N ATOM 0 H GLN A 19 -6.034 18.781 1.272 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.127 19.133 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.584 16.697 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.448 16.660 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.330 16.039 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.151 17.690 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.245 15.578 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.571 16.738 2.634 1.00 0.00 H new ATOM 309 N TYR A 20 -8.809 18.796 0.125 1.00 0.00 N ATOM 310 CA TYR A 20 -10.241 18.932 0.133 1.00 0.00 C ATOM 311 C TYR A 20 -10.615 20.196 -0.609 1.00 0.00 C ATOM 312 O TYR A 20 -11.325 20.152 -1.600 1.00 0.00 O ATOM 313 CB TYR A 20 -10.741 19.039 1.555 1.00 0.00 C ATOM 314 CG TYR A 20 -12.236 18.890 1.681 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.832 17.660 1.485 1.00 0.00 C ATOM 316 CD2 TYR A 20 -13.042 19.968 2.013 1.00 0.00 C ATOM 317 CE1 TYR A 20 -14.195 17.497 1.614 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.411 19.821 2.142 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.983 18.578 1.944 1.00 0.00 C ATOM 320 OH TYR A 20 -16.356 18.419 2.067 1.00 0.00 O ATOM 0 H TYR A 20 -8.390 18.831 1.054 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.689 18.061 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -10.256 18.274 2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.445 20.005 1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.219 16.810 1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.594 20.937 2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.643 16.527 1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.028 20.670 2.395 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.765 19.277 2.305 1.00 0.00 H new ATOM 330 N ASN A 21 -10.097 21.320 -0.122 1.00 0.00 N ATOM 331 CA ASN A 21 -10.346 22.640 -0.723 1.00 0.00 C ATOM 332 C ASN A 21 -9.912 22.660 -2.181 1.00 0.00 C ATOM 333 O ASN A 21 -10.559 23.290 -3.033 1.00 0.00 O ATOM 334 CB ASN A 21 -9.576 23.736 0.007 1.00 0.00 C ATOM 335 CG ASN A 21 -9.942 23.932 1.465 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.056 23.643 1.889 1.00 0.00 O ATOM 337 ND2 ASN A 21 -9.017 24.496 2.218 1.00 0.00 N ATOM 0 H ASN A 21 -9.493 21.349 0.699 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.417 22.825 -0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.511 23.510 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.733 24.678 -0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.215 24.709 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.104 24.719 1.823 1.00 0.00 H new ATOM 344 N PHE A 22 -8.792 22.008 -2.426 1.00 0.00 N ATOM 345 CA PHE A 22 -8.214 21.800 -3.761 1.00 0.00 C ATOM 346 C PHE A 22 -9.270 21.206 -4.678 1.00 0.00 C ATOM 347 O PHE A 22 -9.610 21.783 -5.726 1.00 0.00 O ATOM 348 CB PHE A 22 -7.067 20.808 -3.602 1.00 0.00 C ATOM 349 CG PHE A 22 -6.223 20.526 -4.817 1.00 0.00 C ATOM 350 CD1 PHE A 22 -6.358 19.329 -5.499 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.275 21.434 -5.252 1.00 0.00 C ATOM 352 CE1 PHE A 22 -5.567 19.042 -6.593 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.483 21.153 -6.351 1.00 0.00 C ATOM 354 CZ PHE A 22 -4.627 19.956 -7.019 1.00 0.00 C ATOM 0 H PHE A 22 -8.232 21.590 -1.683 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.863 22.739 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.410 21.175 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.484 19.863 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.093 18.609 -5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.152 22.371 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.684 18.103 -7.114 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.751 21.873 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.005 19.735 -7.874 1.00 0.00 H new ATOM 364 N ALA A 23 -9.813 20.073 -4.242 1.00 0.00 N ATOM 365 CA ALA A 23 -10.868 19.364 -4.961 1.00 0.00 C ATOM 366 C ALA A 23 -12.055 20.292 -5.236 1.00 0.00 C ATOM 367 O ALA A 23 -12.544 20.358 -6.361 1.00 0.00 O ATOM 368 CB ALA A 23 -11.346 18.172 -4.145 1.00 0.00 C ATOM 0 H ALA A 23 -9.532 19.618 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.458 19.020 -5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.133 17.650 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.512 17.492 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.736 18.519 -3.188 1.00 0.00 H new ATOM 374 N ILE A 24 -12.481 21.030 -4.200 1.00 0.00 N ATOM 375 CA ILE A 24 -13.604 21.965 -4.276 1.00 0.00 C ATOM 376 C ILE A 24 -13.411 22.965 -5.422 1.00 0.00 C ATOM 377 O ILE A 24 -14.286 23.119 -6.288 1.00 0.00 O ATOM 378 CB ILE A 24 -13.721 22.762 -2.958 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.842 21.818 -1.759 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.899 23.743 -2.996 1.00 0.00 C ATOM 381 CD1 ILE A 24 -15.074 20.951 -1.722 1.00 0.00 C ATOM 0 H ILE A 24 -12.048 20.991 -3.277 1.00 0.00 H new ATOM 0 HA ILE A 24 -14.507 21.380 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.807 23.346 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.966 21.170 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.815 22.415 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.951 24.286 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.758 24.449 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.827 23.192 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -15.052 20.325 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.962 21.582 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -15.100 20.318 -2.609 1.00 0.00 H new ATOM 393 N ALA A 25 -12.241 23.593 -5.444 1.00 0.00 N ATOM 394 CA ALA A 25 -11.914 24.621 -6.430 1.00 0.00 C ATOM 395 C ALA A 25 -11.853 24.041 -7.837 1.00 0.00 C ATOM 396 O ALA A 25 -12.301 24.667 -8.808 1.00 0.00 O ATOM 397 CB ALA A 25 -10.591 25.290 -6.074 1.00 0.00 C ATOM 0 H ALA A 25 -11.491 23.405 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.707 25.369 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.358 26.054 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.670 25.752 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.797 24.543 -6.061 1.00 0.00 H new ATOM 403 N MET A 26 -11.342 22.834 -7.941 1.00 0.00 N ATOM 404 CA MET A 26 -11.200 22.158 -9.228 1.00 0.00 C ATOM 405 C MET A 26 -12.498 21.519 -9.706 1.00 0.00 C ATOM 406 O MET A 26 -12.560 20.990 -10.824 1.00 0.00 O ATOM 407 CB MET A 26 -10.090 21.110 -9.183 1.00 0.00 C ATOM 408 CG MET A 26 -8.690 21.687 -9.097 1.00 0.00 C ATOM 409 SD MET A 26 -7.407 20.425 -9.198 1.00 0.00 S ATOM 410 CE MET A 26 -7.677 19.758 -10.842 1.00 0.00 C ATOM 0 H MET A 26 -11.012 22.289 -7.144 1.00 0.00 H new ATOM 0 HA MET A 26 -10.932 22.932 -9.947 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.255 20.459 -8.324 1.00 0.00 H new ATOM 0 HB3 MET A 26 -10.159 20.486 -10.074 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.549 22.407 -9.903 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.584 22.232 -8.159 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.842 19.112 -11.114 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.601 19.181 -10.853 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.751 20.576 -11.559 1.00 0.00 H new ATOM 420 N GLY A 27 -13.521 21.558 -8.870 1.00 0.00 N ATOM 421 CA GLY A 27 -14.795 20.973 -9.222 1.00 0.00 C ATOM 422 C GLY A 27 -14.733 19.466 -9.164 1.00 0.00 C ATOM 423 O GLY A 27 -15.408 18.764 -9.932 1.00 0.00 O ATOM 0 H GLY A 27 -13.491 21.988 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.566 21.335 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.080 21.290 -10.225 1.00 0.00 H new ATOM 427 N LEU A 28 -13.928 18.974 -8.262 1.00 0.00 N ATOM 428 CA LEU A 28 -13.707 17.565 -8.085 1.00 0.00 C ATOM 429 C LEU A 28 -14.242 17.110 -6.756 1.00 0.00 C ATOM 430 O LEU A 28 -14.634 17.920 -5.908 1.00 0.00 O ATOM 431 CB LEU A 28 -12.208 17.256 -8.101 1.00 0.00 C ATOM 432 CG LEU A 28 -11.460 17.443 -9.408 1.00 0.00 C ATOM 433 CD1 LEU A 28 -9.985 17.236 -9.172 1.00 0.00 C ATOM 434 CD2 LEU A 28 -11.940 16.438 -10.414 1.00 0.00 C ATOM 0 H LEU A 28 -13.395 19.555 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.216 17.049 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.729 17.883 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.076 16.221 -7.785 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.639 18.450 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.444 17.370 -10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.628 17.961 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.815 16.227 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.401 16.575 -11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.761 15.431 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.007 16.577 -10.586 1.00 0.00 H new ATOM 446 N SER A 29 -14.254 15.834 -6.584 1.00 0.00 N ATOM 447 CA SER A 29 -14.568 15.233 -5.339 1.00 0.00 C ATOM 448 C SER A 29 -13.238 14.769 -4.788 1.00 0.00 C ATOM 449 O SER A 29 -12.390 14.297 -5.564 1.00 0.00 O ATOM 450 CB SER A 29 -15.496 14.045 -5.548 1.00 0.00 C ATOM 451 OG SER A 29 -16.009 13.559 -4.321 1.00 0.00 O ATOM 0 H SER A 29 -14.040 15.165 -7.324 1.00 0.00 H new ATOM 0 HA SER A 29 -15.077 15.921 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.321 14.338 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.957 13.247 -6.058 1.00 0.00 H new ATOM 0 HG SER A 29 -16.602 12.798 -4.493 1.00 0.00 H new ATOM 457 N GLU A 30 -13.054 14.881 -3.492 1.00 0.00 N ATOM 458 CA GLU A 30 -11.770 14.603 -2.853 1.00 0.00 C ATOM 459 C GLU A 30 -11.202 13.240 -3.145 1.00 0.00 C ATOM 460 O GLU A 30 -10.010 13.117 -3.393 1.00 0.00 O ATOM 461 CB GLU A 30 -11.764 14.926 -1.359 1.00 0.00 C ATOM 462 CG GLU A 30 -12.969 14.473 -0.550 1.00 0.00 C ATOM 463 CD GLU A 30 -13.279 13.000 -0.602 1.00 0.00 C ATOM 464 OE1 GLU A 30 -14.118 12.599 -1.428 1.00 0.00 O ATOM 465 OE2 GLU A 30 -12.673 12.220 0.162 1.00 0.00 O ATOM 0 H GLU A 30 -13.787 15.167 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.082 15.300 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.873 14.478 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.667 16.006 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.810 14.755 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.844 15.021 -0.899 1.00 0.00 H new ATOM 472 N ARG A 31 -12.045 12.240 -3.165 1.00 0.00 N ATOM 473 CA ARG A 31 -11.616 10.900 -3.404 1.00 0.00 C ATOM 474 C ARG A 31 -11.091 10.756 -4.807 1.00 0.00 C ATOM 475 O ARG A 31 -10.092 10.101 -5.051 1.00 0.00 O ATOM 476 CB ARG A 31 -12.750 9.950 -3.252 1.00 0.00 C ATOM 477 CG ARG A 31 -12.259 8.526 -3.193 1.00 0.00 C ATOM 478 CD ARG A 31 -13.375 7.550 -3.209 1.00 0.00 C ATOM 479 NE ARG A 31 -12.878 6.167 -3.250 1.00 0.00 N ATOM 480 CZ ARG A 31 -13.543 5.119 -3.754 1.00 0.00 C ATOM 481 NH1 ARG A 31 -14.797 5.267 -4.180 1.00 0.00 N ATOM 482 NH2 ARG A 31 -12.961 3.918 -3.804 1.00 0.00 N ATOM 0 H ARG A 31 -13.049 12.340 -3.015 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.834 10.676 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.306 10.184 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.440 10.066 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.599 8.335 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.667 8.384 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.995 7.689 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -14.010 7.736 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.951 5.991 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.251 6.179 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.303 4.469 -4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.009 3.798 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.469 3.121 -4.188 1.00 0.00 H new ATOM 496 N THR A 32 -11.756 11.425 -5.703 1.00 0.00 N ATOM 497 CA THR A 32 -11.469 11.351 -7.110 1.00 0.00 C ATOM 498 C THR A 32 -10.097 11.948 -7.371 1.00 0.00 C ATOM 499 O THR A 32 -9.306 11.409 -8.155 1.00 0.00 O ATOM 500 CB THR A 32 -12.560 12.091 -7.918 1.00 0.00 C ATOM 501 OG1 THR A 32 -13.864 11.648 -7.468 1.00 0.00 O ATOM 502 CG2 THR A 32 -12.426 11.808 -9.411 1.00 0.00 C ATOM 0 H THR A 32 -12.529 12.050 -5.474 1.00 0.00 H new ATOM 0 HA THR A 32 -11.467 10.309 -7.431 1.00 0.00 H new ATOM 0 HB THR A 32 -12.442 13.163 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.560 12.182 -7.906 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.206 12.341 -9.954 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.449 12.143 -9.758 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.527 10.737 -9.589 1.00 0.00 H new ATOM 510 N VAL A 33 -9.795 13.038 -6.671 1.00 0.00 N ATOM 511 CA VAL A 33 -8.504 13.638 -6.763 1.00 0.00 C ATOM 512 C VAL A 33 -7.546 12.695 -6.157 1.00 0.00 C ATOM 513 O VAL A 33 -6.618 12.315 -6.777 1.00 0.00 O ATOM 514 CB VAL A 33 -8.368 14.925 -5.957 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.502 15.893 -6.634 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.629 15.526 -5.663 1.00 0.00 C ATOM 0 H VAL A 33 -10.440 13.511 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.330 13.864 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.908 14.638 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.428 16.798 -6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.509 15.463 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.924 16.139 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.472 16.438 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.143 15.768 -6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.237 14.831 -5.083 1.00 0.00 H new ATOM 526 N SER A 34 -7.861 12.263 -4.948 1.00 0.00 N ATOM 527 CA SER A 34 -7.001 11.427 -4.148 1.00 0.00 C ATOM 528 C SER A 34 -6.626 10.100 -4.818 1.00 0.00 C ATOM 529 O SER A 34 -5.649 9.491 -4.447 1.00 0.00 O ATOM 530 CB SER A 34 -7.599 11.203 -2.771 1.00 0.00 C ATOM 531 OG SER A 34 -7.786 12.446 -2.099 1.00 0.00 O ATOM 0 H SER A 34 -8.743 12.492 -4.490 1.00 0.00 H new ATOM 0 HA SER A 34 -6.063 11.972 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.554 10.685 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.943 10.560 -2.184 1.00 0.00 H new ATOM 0 HG SER A 34 -8.601 12.878 -2.430 1.00 0.00 H new ATOM 537 N LEU A 35 -7.409 9.639 -5.772 1.00 0.00 N ATOM 538 CA LEU A 35 -7.020 8.465 -6.530 1.00 0.00 C ATOM 539 C LEU A 35 -5.865 8.837 -7.472 1.00 0.00 C ATOM 540 O LEU A 35 -4.812 8.196 -7.483 1.00 0.00 O ATOM 541 CB LEU A 35 -8.213 7.898 -7.312 1.00 0.00 C ATOM 542 CG LEU A 35 -9.414 7.419 -6.481 1.00 0.00 C ATOM 543 CD1 LEU A 35 -10.543 6.961 -7.388 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.010 6.296 -5.532 1.00 0.00 C ATOM 0 H LEU A 35 -8.304 10.050 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.685 7.686 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.562 8.664 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.859 7.061 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.765 8.261 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.384 6.626 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.860 7.790 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.196 6.138 -8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.879 5.976 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.626 5.454 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.236 6.654 -4.853 1.00 0.00 H new ATOM 556 N LYS A 36 -6.047 9.901 -8.220 1.00 0.00 N ATOM 557 CA LYS A 36 -5.037 10.396 -9.121 1.00 0.00 C ATOM 558 C LYS A 36 -3.847 10.918 -8.334 1.00 0.00 C ATOM 559 O LYS A 36 -2.701 10.616 -8.613 1.00 0.00 O ATOM 560 CB LYS A 36 -5.630 11.516 -9.906 1.00 0.00 C ATOM 561 CG LYS A 36 -6.679 11.066 -10.870 1.00 0.00 C ATOM 562 CD LYS A 36 -7.730 12.100 -10.953 1.00 0.00 C ATOM 563 CE LYS A 36 -8.830 11.710 -11.921 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.341 11.659 -13.312 1.00 0.00 N ATOM 0 H LYS A 36 -6.907 10.450 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.701 9.595 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.064 12.243 -9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.838 12.027 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.239 10.896 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.108 10.118 -10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.158 12.263 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.286 13.044 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.233 10.737 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.649 12.426 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.117 11.373 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.995 12.599 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.565 10.970 -13.382 1.00 0.00 H new ATOM 578 N LEU A 37 -4.183 11.625 -7.283 1.00 0.00 N ATOM 579 CA LEU A 37 -3.279 12.315 -6.396 1.00 0.00 C ATOM 580 C LEU A 37 -2.583 11.351 -5.402 1.00 0.00 C ATOM 581 O LEU A 37 -1.903 11.770 -4.466 1.00 0.00 O ATOM 582 CB LEU A 37 -4.059 13.515 -5.708 1.00 0.00 C ATOM 583 CG LEU A 37 -3.333 14.352 -4.712 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.376 15.266 -5.387 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.284 15.093 -3.797 1.00 0.00 C ATOM 0 H LEU A 37 -5.158 11.741 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.452 12.741 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.417 14.175 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.939 13.101 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.753 13.684 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.858 15.867 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.649 14.681 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.918 15.922 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.713 15.691 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.924 15.747 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.900 14.376 -3.255 1.00 0.00 H new ATOM 597 N ASN A 38 -2.757 10.065 -5.614 1.00 0.00 N ATOM 598 CA ASN A 38 -2.041 9.068 -4.812 1.00 0.00 C ATOM 599 C ASN A 38 -1.398 8.000 -5.734 1.00 0.00 C ATOM 600 O ASN A 38 -0.700 7.098 -5.277 1.00 0.00 O ATOM 601 CB ASN A 38 -2.981 8.400 -3.814 1.00 0.00 C ATOM 602 CG ASN A 38 -2.281 7.698 -2.655 1.00 0.00 C ATOM 603 OD1 ASN A 38 -1.964 6.447 -2.836 1.00 0.00 O flip ATOM 604 ND2 ASN A 38 -2.035 8.303 -1.593 1.00 0.00 N flip ATOM 0 H ASN A 38 -3.378 9.677 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.254 9.578 -4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.657 9.154 -3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.596 7.673 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.300 9.283 -1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.569 7.818 -0.826 1.00 0.00 H new ATOM 611 N ASP A 39 -1.665 8.126 -7.028 1.00 0.00 N ATOM 612 CA ASP A 39 -1.200 7.202 -8.086 1.00 0.00 C ATOM 613 C ASP A 39 -1.987 5.900 -8.125 1.00 0.00 C ATOM 614 O ASP A 39 -1.505 4.816 -7.846 1.00 0.00 O ATOM 615 CB ASP A 39 0.351 6.971 -8.129 1.00 0.00 C ATOM 616 CG ASP A 39 0.791 5.955 -9.200 1.00 0.00 C ATOM 617 OD1 ASP A 39 0.797 6.288 -10.403 1.00 0.00 O ATOM 618 OD2 ASP A 39 1.130 4.793 -8.846 1.00 0.00 O ATOM 0 H ASP A 39 -2.228 8.894 -7.394 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.420 7.732 -9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.847 7.923 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.686 6.625 -7.151 1.00 0.00 H new ATOM 623 N LYS A 40 -3.257 6.048 -8.298 1.00 0.00 N ATOM 624 CA LYS A 40 -4.084 4.955 -8.659 1.00 0.00 C ATOM 625 C LYS A 40 -4.382 5.136 -10.093 1.00 0.00 C ATOM 626 O LYS A 40 -4.551 4.176 -10.850 1.00 0.00 O ATOM 627 CB LYS A 40 -5.382 5.031 -7.928 1.00 0.00 C ATOM 628 CG LYS A 40 -5.228 5.251 -6.416 1.00 0.00 C ATOM 629 CD LYS A 40 -4.529 4.076 -5.743 1.00 0.00 C ATOM 630 CE LYS A 40 -4.371 4.299 -4.246 1.00 0.00 C ATOM 631 NZ LYS A 40 -3.633 3.203 -3.587 1.00 0.00 N ATOM 0 H LYS A 40 -3.749 6.935 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.594 4.008 -8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.977 5.843 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.938 4.109 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.659 6.163 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.211 5.395 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.100 3.164 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.548 3.929 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.848 5.240 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.356 4.395 -3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.552 3.402 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.144 2.308 -3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.682 3.126 -4.001 1.00 0.00 H new ATOM 645 N VAL A 41 -4.419 6.394 -10.482 1.00 0.00 N ATOM 646 CA VAL A 41 -4.808 6.742 -11.773 1.00 0.00 C ATOM 647 C VAL A 41 -4.011 7.981 -12.091 1.00 0.00 C ATOM 648 O VAL A 41 -3.290 8.479 -11.224 1.00 0.00 O ATOM 649 CB VAL A 41 -6.300 7.148 -11.829 1.00 0.00 C ATOM 650 CG1 VAL A 41 -6.955 6.385 -12.889 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.044 7.011 -10.522 1.00 0.00 C ATOM 0 H VAL A 41 -4.173 7.184 -9.886 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.652 5.906 -12.454 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.328 8.216 -12.044 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.008 6.662 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.476 6.604 -13.844 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.870 5.319 -12.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.081 7.318 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.014 5.972 -10.193 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.575 7.644 -9.768 1.00 0.00 H new ATOM 661 N THR A 42 -4.159 8.494 -13.258 1.00 0.00 N ATOM 662 CA THR A 42 -3.459 9.685 -13.644 1.00 0.00 C ATOM 663 C THR A 42 -4.442 10.835 -13.806 1.00 0.00 C ATOM 664 O THR A 42 -5.661 10.613 -13.927 1.00 0.00 O ATOM 665 CB THR A 42 -2.686 9.459 -14.963 1.00 0.00 C ATOM 666 OG1 THR A 42 -3.564 8.863 -15.940 1.00 0.00 O ATOM 667 CG2 THR A 42 -1.476 8.557 -14.742 1.00 0.00 C ATOM 0 H THR A 42 -4.767 8.107 -13.980 1.00 0.00 H new ATOM 0 HA THR A 42 -2.742 9.935 -12.862 1.00 0.00 H new ATOM 0 HB THR A 42 -2.331 10.424 -15.324 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.074 8.721 -16.777 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.951 8.415 -15.686 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.804 9.020 -14.019 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.807 7.591 -14.362 1.00 0.00 H new ATOM 675 N TRP A 43 -3.948 12.041 -13.750 1.00 0.00 N ATOM 676 CA TRP A 43 -4.766 13.202 -14.020 1.00 0.00 C ATOM 677 C TRP A 43 -4.835 13.380 -15.516 1.00 0.00 C ATOM 678 O TRP A 43 -3.831 13.127 -16.214 1.00 0.00 O ATOM 679 CB TRP A 43 -4.144 14.483 -13.443 1.00 0.00 C ATOM 680 CG TRP A 43 -4.072 14.585 -11.955 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.046 15.048 -11.119 1.00 0.00 C ATOM 682 CD2 TRP A 43 -2.947 14.273 -11.129 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.597 15.034 -9.824 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.310 14.564 -9.803 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.668 13.773 -11.382 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.439 14.373 -8.737 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -0.810 13.585 -10.322 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.202 13.886 -9.016 1.00 0.00 C ATOM 0 H TRP A 43 -2.977 12.251 -13.519 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.744 13.045 -13.566 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.133 14.578 -13.839 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.714 15.335 -13.815 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.026 15.377 -11.432 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.134 15.326 -9.008 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.358 13.538 -12.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -2.735 14.603 -7.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.182 13.199 -10.503 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.504 13.728 -8.207 1.00 0.00 H new ATOM 699 N LYS A 44 -5.970 13.795 -16.028 1.00 0.00 N ATOM 700 CA LYS A 44 -6.052 14.118 -17.404 1.00 0.00 C ATOM 701 C LYS A 44 -5.344 15.436 -17.595 1.00 0.00 C ATOM 702 O LYS A 44 -5.206 16.203 -16.633 1.00 0.00 O ATOM 703 CB LYS A 44 -7.495 14.237 -17.914 1.00 0.00 C ATOM 704 CG LYS A 44 -8.276 12.933 -17.935 1.00 0.00 C ATOM 705 CD LYS A 44 -9.080 12.722 -16.671 1.00 0.00 C ATOM 706 CE LYS A 44 -10.325 13.624 -16.650 1.00 0.00 C ATOM 707 NZ LYS A 44 -11.144 13.464 -15.420 1.00 0.00 N ATOM 0 H LYS A 44 -6.837 13.911 -15.503 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.592 13.312 -17.976 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.028 14.953 -17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.475 14.648 -18.923 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.947 12.928 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.585 12.101 -18.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.383 11.677 -16.599 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.458 12.934 -15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.013 14.665 -16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.942 13.401 -17.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.151 13.571 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.982 12.520 -15.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.873 14.189 -14.726 1.00 0.00 H new ATOM 721 N ASP A 45 -4.907 15.709 -18.796 1.00 0.00 N ATOM 722 CA ASP A 45 -4.208 16.970 -19.105 1.00 0.00 C ATOM 723 C ASP A 45 -5.058 18.163 -18.713 1.00 0.00 C ATOM 724 O ASP A 45 -4.565 19.125 -18.139 1.00 0.00 O ATOM 725 CB ASP A 45 -3.852 17.010 -20.574 1.00 0.00 C ATOM 726 CG ASP A 45 -3.250 18.312 -21.038 1.00 0.00 C ATOM 727 OD1 ASP A 45 -3.836 18.946 -21.932 1.00 0.00 O ATOM 728 OD2 ASP A 45 -2.178 18.686 -20.554 1.00 0.00 O ATOM 0 H ASP A 45 -5.014 15.083 -19.594 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.287 17.018 -18.525 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.150 16.204 -20.786 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.751 16.812 -21.158 1.00 0.00 H new ATOM 733 N ASP A 46 -6.352 18.030 -18.949 1.00 0.00 N ATOM 734 CA ASP A 46 -7.367 19.023 -18.556 1.00 0.00 C ATOM 735 C ASP A 46 -7.328 19.331 -17.054 1.00 0.00 C ATOM 736 O ASP A 46 -7.482 20.481 -16.637 1.00 0.00 O ATOM 737 CB ASP A 46 -8.762 18.513 -18.941 1.00 0.00 C ATOM 738 CG ASP A 46 -9.880 19.305 -18.297 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.176 20.420 -18.744 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.488 18.813 -17.327 1.00 0.00 O ATOM 0 H ASP A 46 -6.745 17.219 -19.427 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.143 19.949 -19.086 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.872 18.555 -20.025 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.853 17.466 -18.652 1.00 0.00 H new ATOM 745 N GLU A 47 -7.067 18.318 -16.258 1.00 0.00 N ATOM 746 CA GLU A 47 -7.060 18.474 -14.817 1.00 0.00 C ATOM 747 C GLU A 47 -5.776 19.164 -14.401 1.00 0.00 C ATOM 748 O GLU A 47 -5.763 19.994 -13.489 1.00 0.00 O ATOM 749 CB GLU A 47 -7.217 17.113 -14.133 1.00 0.00 C ATOM 750 CG GLU A 47 -8.463 16.377 -14.593 1.00 0.00 C ATOM 751 CD GLU A 47 -8.648 15.012 -13.970 1.00 0.00 C ATOM 752 OE1 GLU A 47 -7.763 14.152 -14.107 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.735 14.735 -13.447 1.00 0.00 O ATOM 0 H GLU A 47 -6.856 17.375 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.903 19.091 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.339 16.501 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.259 17.254 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.336 16.988 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.425 16.266 -15.677 1.00 0.00 H new ATOM 760 N ILE A 48 -4.714 18.859 -15.121 1.00 0.00 N ATOM 761 CA ILE A 48 -3.427 19.464 -14.884 1.00 0.00 C ATOM 762 C ILE A 48 -3.494 20.958 -15.224 1.00 0.00 C ATOM 763 O ILE A 48 -3.113 21.788 -14.409 1.00 0.00 O ATOM 764 CB ILE A 48 -2.308 18.772 -15.714 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.284 17.265 -15.404 1.00 0.00 C ATOM 766 CG2 ILE A 48 -0.946 19.405 -15.408 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.282 16.469 -16.217 1.00 0.00 C ATOM 0 H ILE A 48 -4.724 18.184 -15.886 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.178 19.338 -13.830 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.518 18.910 -16.775 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.063 17.129 -14.345 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.279 16.856 -15.577 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.174 18.910 -15.997 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.972 20.465 -15.662 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.722 19.292 -14.347 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.335 15.418 -15.932 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.512 16.569 -17.278 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.277 16.846 -16.027 1.00 0.00 H new ATOM 779 N LEU A 49 -4.051 21.281 -16.413 1.00 0.00 N ATOM 780 CA LEU A 49 -4.223 22.634 -16.898 1.00 0.00 C ATOM 781 C LEU A 49 -4.917 23.486 -15.859 1.00 0.00 C ATOM 782 O LEU A 49 -4.482 24.603 -15.534 1.00 0.00 O ATOM 783 CB LEU A 49 -5.152 22.589 -18.092 1.00 0.00 C ATOM 784 CG LEU A 49 -4.726 21.854 -19.341 1.00 0.00 C ATOM 785 CD1 LEU A 49 -5.868 21.915 -20.335 1.00 0.00 C ATOM 786 CD2 LEU A 49 -3.466 22.473 -19.936 1.00 0.00 C ATOM 0 H LEU A 49 -4.396 20.577 -17.065 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.243 23.046 -17.138 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.091 22.148 -17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.367 23.619 -18.377 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.493 20.817 -19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.585 21.390 -21.247 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.751 21.443 -19.904 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.091 22.956 -20.569 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.181 21.925 -20.834 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.659 23.515 -20.192 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.657 22.422 -19.208 1.00 0.00 H new ATOM 798 N LYS A 50 -5.980 22.920 -15.342 1.00 0.00 N ATOM 799 CA LYS A 50 -6.857 23.546 -14.411 1.00 0.00 C ATOM 800 C LYS A 50 -6.127 23.880 -13.119 1.00 0.00 C ATOM 801 O LYS A 50 -6.238 24.986 -12.595 1.00 0.00 O ATOM 802 CB LYS A 50 -7.968 22.584 -14.145 1.00 0.00 C ATOM 803 CG LYS A 50 -9.297 23.259 -13.915 1.00 0.00 C ATOM 804 CD LYS A 50 -10.425 22.294 -14.052 1.00 0.00 C ATOM 805 CE LYS A 50 -10.523 21.803 -15.478 1.00 0.00 C ATOM 806 NZ LYS A 50 -11.374 20.601 -15.596 1.00 0.00 N ATOM 0 H LYS A 50 -6.261 21.968 -15.576 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.239 24.483 -14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.057 21.899 -14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.717 21.982 -13.271 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.314 23.703 -12.920 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.423 24.073 -14.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.275 21.450 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.360 22.772 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.928 22.596 -16.107 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.524 21.578 -15.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.823 19.825 -16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.708 20.318 -14.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.191 20.813 -16.203 1.00 0.00 H new ATOM 820 N ALA A 51 -5.344 22.928 -12.636 1.00 0.00 N ATOM 821 CA ALA A 51 -4.592 23.102 -11.413 1.00 0.00 C ATOM 822 C ALA A 51 -3.492 24.150 -11.589 1.00 0.00 C ATOM 823 O ALA A 51 -3.303 24.997 -10.728 1.00 0.00 O ATOM 824 CB ALA A 51 -4.018 21.782 -10.946 1.00 0.00 C ATOM 0 H ALA A 51 -5.215 22.019 -13.081 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.274 23.464 -10.644 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.456 21.935 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.829 21.077 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.355 21.382 -11.713 1.00 0.00 H new ATOM 830 N VAL A 52 -2.807 24.115 -12.735 1.00 0.00 N ATOM 831 CA VAL A 52 -1.731 25.086 -13.072 1.00 0.00 C ATOM 832 C VAL A 52 -2.249 26.531 -12.983 1.00 0.00 C ATOM 833 O VAL A 52 -1.523 27.441 -12.594 1.00 0.00 O ATOM 834 CB VAL A 52 -1.183 24.827 -14.516 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.133 25.850 -14.933 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.600 23.447 -14.614 1.00 0.00 C ATOM 0 H VAL A 52 -2.973 23.419 -13.462 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.927 24.948 -12.350 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.030 24.923 -15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.214 25.625 -15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.570 26.848 -14.914 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.709 25.809 -14.242 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.223 23.282 -15.623 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.218 23.346 -13.901 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.371 22.710 -14.389 1.00 0.00 H new ATOM 846 N HIS A 53 -3.513 26.705 -13.295 1.00 0.00 N ATOM 847 CA HIS A 53 -4.146 28.013 -13.308 1.00 0.00 C ATOM 848 C HIS A 53 -4.437 28.483 -11.886 1.00 0.00 C ATOM 849 O HIS A 53 -4.304 29.651 -11.574 1.00 0.00 O ATOM 850 CB HIS A 53 -5.464 27.919 -14.085 1.00 0.00 C ATOM 851 CG HIS A 53 -6.059 29.240 -14.520 1.00 0.00 C ATOM 852 ND1 HIS A 53 -6.410 29.505 -15.825 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.397 30.350 -13.819 1.00 0.00 C ATOM 854 CE1 HIS A 53 -6.929 30.707 -15.904 1.00 0.00 C ATOM 855 NE2 HIS A 53 -6.932 31.242 -14.705 1.00 0.00 N ATOM 0 H HIS A 53 -4.139 25.941 -13.549 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.474 28.727 -13.783 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.301 27.305 -14.971 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.194 27.398 -13.466 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.267 30.501 -12.758 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.293 31.178 -16.805 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.278 32.173 -14.473 1.00 0.00 H new ATOM 863 N VAL A 54 -4.784 27.556 -11.035 1.00 0.00 N ATOM 864 CA VAL A 54 -5.244 27.882 -9.692 1.00 0.00 C ATOM 865 C VAL A 54 -4.064 28.004 -8.769 1.00 0.00 C ATOM 866 O VAL A 54 -3.887 28.991 -8.059 1.00 0.00 O ATOM 867 CB VAL A 54 -6.211 26.780 -9.156 1.00 0.00 C ATOM 868 CG1 VAL A 54 -6.607 27.031 -7.705 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.447 26.682 -10.027 1.00 0.00 C ATOM 0 H VAL A 54 -4.760 26.557 -11.241 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.781 28.829 -9.732 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.675 25.832 -9.195 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.280 26.242 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.714 27.036 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.110 27.995 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.107 25.908 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.969 27.639 -10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.155 26.428 -11.046 1.00 0.00 H new ATOM 879 N LEU A 55 -3.262 26.997 -8.801 1.00 0.00 N ATOM 880 CA LEU A 55 -2.127 26.865 -8.011 1.00 0.00 C ATOM 881 C LEU A 55 -0.995 27.780 -8.488 1.00 0.00 C ATOM 882 O LEU A 55 -0.072 28.074 -7.721 1.00 0.00 O ATOM 883 CB LEU A 55 -1.739 25.415 -8.113 1.00 0.00 C ATOM 884 CG LEU A 55 -2.579 24.368 -7.338 1.00 0.00 C ATOM 885 CD1 LEU A 55 -2.365 24.457 -5.853 1.00 0.00 C ATOM 886 CD2 LEU A 55 -4.075 24.414 -7.638 1.00 0.00 C ATOM 0 H LEU A 55 -3.407 26.203 -9.425 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.323 27.160 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.758 25.140 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.706 25.324 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.209 23.410 -7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.974 23.705 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.313 24.283 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.652 25.448 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.587 23.649 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.469 25.396 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.239 24.230 -8.700 1.00 0.00 H new ATOM 898 N GLU A 56 -1.126 28.270 -9.725 1.00 0.00 N ATOM 899 CA GLU A 56 -0.135 29.119 -10.401 1.00 0.00 C ATOM 900 C GLU A 56 1.166 28.373 -10.553 1.00 0.00 C ATOM 901 O GLU A 56 2.095 28.535 -9.771 1.00 0.00 O ATOM 902 CB GLU A 56 0.087 30.467 -9.710 1.00 0.00 C ATOM 903 CG GLU A 56 -1.151 31.329 -9.595 1.00 0.00 C ATOM 904 CD GLU A 56 -0.867 32.611 -8.863 1.00 0.00 C ATOM 905 OE1 GLU A 56 -0.422 32.549 -7.710 1.00 0.00 O ATOM 906 OE2 GLU A 56 -1.116 33.711 -9.418 1.00 0.00 O ATOM 0 H GLU A 56 -1.947 28.083 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.540 29.352 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.482 30.287 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.849 31.020 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.532 31.555 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.932 30.777 -9.073 1.00 0.00 H new ATOM 913 N LEU A 57 1.198 27.505 -11.504 1.00 0.00 N ATOM 914 CA LEU A 57 2.349 26.691 -11.726 1.00 0.00 C ATOM 915 C LEU A 57 2.938 26.983 -13.068 1.00 0.00 C ATOM 916 O LEU A 57 2.330 27.663 -13.889 1.00 0.00 O ATOM 917 CB LEU A 57 1.992 25.233 -11.621 1.00 0.00 C ATOM 918 CG LEU A 57 1.362 24.771 -10.297 1.00 0.00 C ATOM 919 CD1 LEU A 57 0.997 23.302 -10.368 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.306 25.027 -9.124 1.00 0.00 C ATOM 0 H LEU A 57 0.428 27.337 -12.152 1.00 0.00 H new ATOM 0 HA LEU A 57 3.089 26.922 -10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.301 24.993 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.896 24.648 -11.790 1.00 0.00 H new ATOM 0 HG LEU A 57 0.453 25.350 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.552 22.991 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.282 23.143 -11.175 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.894 22.713 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.837 24.691 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.236 24.479 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.521 26.093 -9.056 1.00 0.00 H new ATOM 932 N ASN A 58 4.093 26.469 -13.300 1.00 0.00 N ATOM 933 CA ASN A 58 4.772 26.673 -14.552 1.00 0.00 C ATOM 934 C ASN A 58 4.795 25.335 -15.275 1.00 0.00 C ATOM 935 O ASN A 58 4.917 24.304 -14.620 1.00 0.00 O ATOM 936 CB ASN A 58 6.214 27.158 -14.281 1.00 0.00 C ATOM 937 CG ASN A 58 6.961 27.575 -15.533 1.00 0.00 C ATOM 938 OD1 ASN A 58 7.564 26.754 -16.205 1.00 0.00 O ATOM 939 ND2 ASN A 58 6.966 28.849 -15.825 1.00 0.00 N ATOM 0 H ASN A 58 4.604 25.892 -12.632 1.00 0.00 H new ATOM 0 HA ASN A 58 4.266 27.425 -15.158 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.181 28.001 -13.590 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.769 26.361 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.485 29.184 -16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.451 29.508 -15.241 1.00 0.00 H new ATOM 946 N PRO A 59 4.667 25.313 -16.615 1.00 0.00 N ATOM 947 CA PRO A 59 4.698 24.063 -17.410 1.00 0.00 C ATOM 948 C PRO A 59 5.982 23.255 -17.188 1.00 0.00 C ATOM 949 O PRO A 59 5.993 22.026 -17.275 1.00 0.00 O ATOM 950 CB PRO A 59 4.655 24.559 -18.847 1.00 0.00 C ATOM 951 CG PRO A 59 4.026 25.896 -18.775 1.00 0.00 C ATOM 952 CD PRO A 59 4.423 26.489 -17.468 1.00 0.00 C ATOM 0 HA PRO A 59 3.880 23.396 -17.137 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.656 24.617 -19.274 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.077 23.885 -19.479 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.358 26.524 -19.601 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.941 25.817 -18.850 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.315 27.108 -17.563 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.637 27.124 -17.060 1.00 0.00 H new ATOM 960 N GLN A 60 7.041 23.952 -16.868 1.00 0.00 N ATOM 961 CA GLN A 60 8.341 23.326 -16.645 1.00 0.00 C ATOM 962 C GLN A 60 8.443 22.763 -15.235 1.00 0.00 C ATOM 963 O GLN A 60 9.283 21.907 -14.952 1.00 0.00 O ATOM 964 CB GLN A 60 9.440 24.338 -16.882 1.00 0.00 C ATOM 965 CG GLN A 60 9.438 24.889 -18.286 1.00 0.00 C ATOM 966 CD GLN A 60 10.419 26.019 -18.470 1.00 0.00 C ATOM 967 OE1 GLN A 60 10.690 26.777 -17.543 1.00 0.00 O ATOM 968 NE2 GLN A 60 10.946 26.155 -19.647 1.00 0.00 N ATOM 0 H GLN A 60 7.039 24.965 -16.752 1.00 0.00 H new ATOM 0 HA GLN A 60 8.451 22.499 -17.346 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.329 25.160 -16.175 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.405 23.873 -16.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.677 24.089 -18.986 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.436 25.240 -18.533 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.698 25.507 -20.395 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.608 26.910 -19.825 1.00 0.00 H new ATOM 977 N ASP A 61 7.560 23.217 -14.371 1.00 0.00 N ATOM 978 CA ASP A 61 7.569 22.816 -12.952 1.00 0.00 C ATOM 979 C ASP A 61 6.720 21.568 -12.792 1.00 0.00 C ATOM 980 O ASP A 61 6.863 20.831 -11.848 1.00 0.00 O ATOM 981 CB ASP A 61 6.971 23.935 -12.079 1.00 0.00 C ATOM 982 CG ASP A 61 7.706 24.165 -10.761 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.050 24.462 -9.725 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.949 24.100 -10.743 1.00 0.00 O ATOM 0 H ASP A 61 6.815 23.870 -14.615 1.00 0.00 H new ATOM 0 HA ASP A 61 8.596 22.626 -12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.972 24.864 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.930 23.694 -11.864 1.00 0.00 H new ATOM 989 N ILE A 62 5.883 21.321 -13.793 1.00 0.00 N ATOM 990 CA ILE A 62 4.897 20.212 -13.828 1.00 0.00 C ATOM 991 C ILE A 62 5.411 18.791 -13.426 1.00 0.00 C ATOM 992 O ILE A 62 4.693 18.096 -12.691 1.00 0.00 O ATOM 993 CB ILE A 62 4.140 20.156 -15.187 1.00 0.00 C ATOM 994 CG1 ILE A 62 3.378 21.458 -15.407 1.00 0.00 C ATOM 995 CG2 ILE A 62 3.185 18.960 -15.282 1.00 0.00 C ATOM 996 CD1 ILE A 62 2.423 21.826 -14.295 1.00 0.00 C ATOM 0 H ILE A 62 5.860 21.896 -14.635 1.00 0.00 H new ATOM 0 HA ILE A 62 4.210 20.480 -13.025 1.00 0.00 H new ATOM 0 HB ILE A 62 4.887 20.027 -15.970 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.097 22.267 -15.533 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.817 21.382 -16.339 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.684 18.970 -16.250 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.750 18.034 -15.176 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.441 19.024 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.926 22.765 -14.538 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.677 21.040 -14.181 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.976 21.939 -13.363 1.00 0.00 H new ATOM 1008 N PRO A 63 6.643 18.321 -13.847 1.00 0.00 N ATOM 1009 CA PRO A 63 7.089 16.971 -13.507 1.00 0.00 C ATOM 1010 C PRO A 63 7.207 16.776 -12.020 1.00 0.00 C ATOM 1011 O PRO A 63 6.947 15.717 -11.508 1.00 0.00 O ATOM 1012 CB PRO A 63 8.465 16.814 -14.142 1.00 0.00 C ATOM 1013 CG PRO A 63 8.757 18.065 -14.889 1.00 0.00 C ATOM 1014 CD PRO A 63 7.658 19.050 -14.626 1.00 0.00 C ATOM 0 HA PRO A 63 6.369 16.236 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.222 16.638 -13.378 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.482 15.954 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.716 18.477 -14.576 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.832 17.859 -15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.030 19.912 -14.073 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.239 19.426 -15.559 1.00 0.00 H new ATOM 1022 N LYS A 64 7.504 17.850 -11.343 1.00 0.00 N ATOM 1023 CA LYS A 64 7.747 17.839 -9.911 1.00 0.00 C ATOM 1024 C LYS A 64 6.426 17.704 -9.157 1.00 0.00 C ATOM 1025 O LYS A 64 6.403 17.541 -7.940 1.00 0.00 O ATOM 1026 CB LYS A 64 8.369 19.163 -9.497 1.00 0.00 C ATOM 1027 CG LYS A 64 9.419 19.727 -10.444 1.00 0.00 C ATOM 1028 CD LYS A 64 9.940 21.028 -9.873 1.00 0.00 C ATOM 1029 CE LYS A 64 11.004 21.669 -10.730 1.00 0.00 C ATOM 1030 NZ LYS A 64 11.340 23.016 -10.226 1.00 0.00 N ATOM 0 H LYS A 64 7.587 18.774 -11.767 1.00 0.00 H new ATOM 0 HA LYS A 64 8.407 17.003 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.572 19.899 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.823 19.038 -8.514 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.235 19.016 -10.569 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.987 19.894 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.109 21.724 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.346 20.844 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.897 21.045 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.655 21.738 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.264 23.307 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.612 23.693 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.381 22.998 -9.187 1.00 0.00 H new ATOM 1044 N TYR A 65 5.335 17.824 -9.884 1.00 0.00 N ATOM 1045 CA TYR A 65 4.043 17.814 -9.313 1.00 0.00 C ATOM 1046 C TYR A 65 3.224 16.640 -9.807 1.00 0.00 C ATOM 1047 O TYR A 65 3.002 15.680 -9.088 1.00 0.00 O ATOM 1048 CB TYR A 65 3.310 19.125 -9.660 1.00 0.00 C ATOM 1049 CG TYR A 65 3.909 20.371 -9.056 1.00 0.00 C ATOM 1050 CD1 TYR A 65 3.307 20.998 -7.994 1.00 0.00 C ATOM 1051 CD2 TYR A 65 5.091 20.893 -9.526 1.00 0.00 C ATOM 1052 CE1 TYR A 65 3.874 22.118 -7.419 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.653 21.992 -8.971 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.058 22.605 -7.921 1.00 0.00 C ATOM 1055 OH TYR A 65 5.658 23.714 -7.367 1.00 0.00 O ATOM 0 H TYR A 65 5.341 17.931 -10.898 1.00 0.00 H new ATOM 0 HA TYR A 65 4.158 17.721 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.292 19.238 -10.744 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.274 19.042 -9.331 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.378 20.610 -7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.583 20.414 -10.359 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.393 22.606 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.579 22.381 -9.367 1.00 0.00 H new ATOM 0 HH TYR A 65 6.237 24.140 -8.033 1.00 0.00 H new ATOM 1065 N PHE A 66 2.842 16.696 -11.063 1.00 0.00 N ATOM 1066 CA PHE A 66 1.848 15.778 -11.598 1.00 0.00 C ATOM 1067 C PHE A 66 2.451 14.557 -12.264 1.00 0.00 C ATOM 1068 O PHE A 66 1.763 13.836 -12.990 1.00 0.00 O ATOM 1069 CB PHE A 66 0.915 16.510 -12.571 1.00 0.00 C ATOM 1070 CG PHE A 66 0.140 17.629 -11.935 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -1.049 17.375 -11.276 1.00 0.00 C ATOM 1072 CD2 PHE A 66 0.607 18.928 -11.985 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.757 18.394 -10.682 1.00 0.00 C ATOM 1074 CE2 PHE A 66 -0.096 19.951 -11.395 1.00 0.00 C ATOM 1075 CZ PHE A 66 -1.278 19.683 -10.741 1.00 0.00 C ATOM 0 H PHE A 66 3.203 17.368 -11.740 1.00 0.00 H new ATOM 0 HA PHE A 66 1.277 15.412 -10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.505 16.911 -13.395 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.215 15.792 -12.999 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.426 16.364 -11.227 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.535 19.142 -12.494 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.685 18.183 -10.171 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.278 20.963 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.830 20.485 -10.274 1.00 0.00 H new