USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 581 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 38 SER OG : rot 100:sc= -0.574 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -137:sc= 1.09 (180deg=-0.866) USER MOD Single : A 4 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -0.0112 (180deg=-0.0826) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.0541 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.055) USER MOD Single : A 14 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 0.0976 (180deg=-0.224) USER MOD Single : A 17 TYR OH : rot -115:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.11) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.00726 X(o=0.0073,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0104 (180deg=-0.107) USER MOD Single : A 47 ASN : amide:sc= -0.0053 X(o=-0.0053,f=-0.13) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.06) USER MOD Single : A 53 MET CE :methyl -167:sc= -0.604 (180deg=-0.818) USER MOD Single : A 55 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 74:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -2.679 15.945 -6.963 1.00 0.00 N ATOM 62 CA HIS A 4 -3.715 14.923 -7.108 1.00 0.00 C ATOM 63 C HIS A 4 -3.261 13.594 -6.586 1.00 0.00 C ATOM 64 O HIS A 4 -4.079 12.721 -6.290 1.00 0.00 O ATOM 65 CB HIS A 4 -4.162 14.774 -8.560 1.00 0.00 C ATOM 66 CG HIS A 4 -5.209 15.739 -8.969 1.00 0.00 C ATOM 67 ND1 HIS A 4 -6.471 15.344 -9.312 1.00 0.00 N ATOM 68 CD2 HIS A 4 -5.201 17.081 -9.067 1.00 0.00 C ATOM 69 CE1 HIS A 4 -7.199 16.401 -9.596 1.00 0.00 C ATOM 70 NE2 HIS A 4 -6.450 17.463 -9.454 1.00 0.00 N ATOM 0 HA HIS A 4 -4.564 15.261 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.296 14.896 -9.211 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.536 13.761 -8.713 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.798 14.378 -9.343 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.362 17.733 -8.875 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.237 16.393 -9.895 1.00 0.00 H new ATOM 79 N GLY A 5 -1.987 13.433 -6.502 1.00 0.00 N ATOM 80 CA GLY A 5 -1.432 12.243 -5.981 1.00 0.00 C ATOM 81 C GLY A 5 -0.847 12.500 -4.638 1.00 0.00 C ATOM 82 O GLY A 5 0.254 13.030 -4.532 1.00 0.00 O ATOM 0 H GLY A 5 -1.301 14.129 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.201 11.474 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.664 11.865 -6.655 1.00 0.00 H new ATOM 86 N LYS A 6 -1.568 12.155 -3.621 1.00 0.00 N ATOM 87 CA LYS A 6 -1.135 12.399 -2.266 1.00 0.00 C ATOM 88 C LYS A 6 -0.475 11.163 -1.693 1.00 0.00 C ATOM 89 O LYS A 6 -0.901 10.046 -1.968 1.00 0.00 O ATOM 90 CB LYS A 6 -2.310 12.863 -1.399 1.00 0.00 C ATOM 91 CG LYS A 6 -2.892 14.207 -1.836 1.00 0.00 C ATOM 92 CD LYS A 6 -4.068 14.622 -0.965 1.00 0.00 C ATOM 93 CE LYS A 6 -4.607 16.000 -1.353 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.093 16.048 -2.753 1.00 0.00 N ATOM 0 H LYS A 6 -2.475 11.695 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.395 13.200 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.095 12.108 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.980 12.938 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.117 14.972 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.214 14.143 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.864 13.883 -1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.759 14.634 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.421 16.270 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.822 16.744 -1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.584 16.949 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.286 15.968 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.751 15.260 -2.919 1.00 0.00 H new ATOM 108 N TYR A 7 0.571 11.358 -0.933 1.00 0.00 N ATOM 109 CA TYR A 7 1.303 10.259 -0.357 1.00 0.00 C ATOM 110 C TYR A 7 0.764 9.921 1.003 1.00 0.00 C ATOM 111 O TYR A 7 0.861 10.723 1.947 1.00 0.00 O ATOM 112 CB TYR A 7 2.801 10.572 -0.245 1.00 0.00 C ATOM 113 CG TYR A 7 3.536 10.678 -1.557 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.086 9.549 -2.145 1.00 0.00 C ATOM 115 CD2 TYR A 7 3.703 11.899 -2.199 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.778 9.627 -3.332 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.399 11.986 -3.393 1.00 0.00 C ATOM 118 CZ TYR A 7 4.935 10.844 -3.951 1.00 0.00 C ATOM 119 OH TYR A 7 5.624 10.916 -5.143 1.00 0.00 O ATOM 0 H TYR A 7 0.939 12.279 -0.696 1.00 0.00 H new ATOM 0 HA TYR A 7 1.177 9.405 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.920 11.511 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.274 9.795 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.969 8.590 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.284 12.793 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.196 8.735 -3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.521 12.940 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 7 5.646 11.846 -5.452 1.00 0.00 H new ATOM 129 N VAL A 8 0.215 8.761 1.108 1.00 0.00 N ATOM 130 CA VAL A 8 -0.298 8.269 2.348 1.00 0.00 C ATOM 131 C VAL A 8 0.447 6.985 2.657 1.00 0.00 C ATOM 132 O VAL A 8 1.335 6.577 1.888 1.00 0.00 O ATOM 133 CB VAL A 8 -1.844 8.010 2.306 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.612 9.271 1.923 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.200 6.865 1.374 1.00 0.00 C ATOM 0 H VAL A 8 0.106 8.115 0.326 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.146 9.019 3.124 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.142 7.724 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.680 9.055 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.414 10.054 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.292 9.606 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.280 6.718 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.866 7.101 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.710 5.953 1.715 1.00 0.00 H new ATOM 145 N TYR A 9 0.137 6.368 3.740 1.00 0.00 N ATOM 146 CA TYR A 9 0.792 5.148 4.099 1.00 0.00 C ATOM 147 C TYR A 9 -0.230 4.093 4.385 1.00 0.00 C ATOM 148 O TYR A 9 -1.319 4.391 4.870 1.00 0.00 O ATOM 149 CB TYR A 9 1.697 5.338 5.321 1.00 0.00 C ATOM 150 CG TYR A 9 2.907 6.229 5.110 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.784 7.610 5.070 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.179 5.684 4.975 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.884 8.420 4.905 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.287 6.491 4.817 1.00 0.00 C ATOM 155 CZ TYR A 9 5.131 7.858 4.782 1.00 0.00 C ATOM 156 OH TYR A 9 6.232 8.671 4.633 1.00 0.00 O ATOM 0 H TYR A 9 -0.571 6.685 4.402 1.00 0.00 H new ATOM 0 HA TYR A 9 1.417 4.839 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.099 5.754 6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.043 4.358 5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.806 8.058 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.302 4.611 4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.767 9.493 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.270 6.053 4.721 1.00 0.00 H new ATOM 0 HH TYR A 9 7.039 8.119 4.560 1.00 0.00 H new ATOM 166 N ILE A 10 0.083 2.879 4.067 1.00 0.00 N ATOM 167 CA ILE A 10 -0.812 1.796 4.381 1.00 0.00 C ATOM 168 C ILE A 10 -0.464 1.271 5.751 1.00 0.00 C ATOM 169 O ILE A 10 0.718 0.995 6.043 1.00 0.00 O ATOM 170 CB ILE A 10 -0.773 0.643 3.330 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.117 1.170 1.930 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.706 -0.515 3.714 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.446 1.891 1.846 1.00 0.00 C ATOM 0 H ILE A 10 0.944 2.606 3.593 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.830 2.184 4.361 1.00 0.00 H new ATOM 0 HB ILE A 10 0.245 0.253 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.328 1.848 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.126 0.333 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.648 -1.296 2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.402 -0.923 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.731 -0.150 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.612 2.231 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.247 1.212 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.437 2.750 2.517 1.00 0.00 H new ATOM 185 N ASP A 11 -1.467 1.166 6.591 1.00 0.00 N ATOM 186 CA ASP A 11 -1.308 0.697 7.946 1.00 0.00 C ATOM 187 C ASP A 11 -1.085 -0.789 7.947 1.00 0.00 C ATOM 188 O ASP A 11 -2.021 -1.589 7.924 1.00 0.00 O ATOM 189 CB ASP A 11 -2.498 1.106 8.846 1.00 0.00 C ATOM 190 CG ASP A 11 -2.386 0.621 10.294 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.534 1.149 11.060 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.198 -0.237 10.714 1.00 0.00 O ATOM 0 H ASP A 11 -2.428 1.407 6.349 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.429 1.177 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.584 2.193 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.418 0.713 8.413 1.00 0.00 H new ATOM 197 N LEU A 12 0.173 -1.134 7.818 1.00 0.00 N ATOM 198 CA LEU A 12 0.620 -2.499 7.868 1.00 0.00 C ATOM 199 C LEU A 12 0.573 -2.929 9.313 1.00 0.00 C ATOM 200 O LEU A 12 0.366 -4.098 9.634 1.00 0.00 O ATOM 201 CB LEU A 12 2.057 -2.587 7.353 1.00 0.00 C ATOM 202 CG LEU A 12 2.339 -1.956 5.984 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.816 -2.056 5.659 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.503 -2.614 4.890 1.00 0.00 C ATOM 0 H LEU A 12 0.925 -0.461 7.673 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.010 -3.139 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.711 -2.115 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.338 -3.639 7.307 1.00 0.00 H new ATOM 0 HG LEU A 12 2.058 -0.904 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.006 -1.605 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.392 -1.531 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.114 -3.104 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.725 -2.145 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.742 -3.676 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.444 -2.491 5.118 1.00 0.00 H new ATOM 216 N ASN A 13 0.857 -1.948 10.170 1.00 0.00 N ATOM 217 CA ASN A 13 0.749 -2.026 11.630 1.00 0.00 C ATOM 218 C ASN A 13 1.784 -2.974 12.271 1.00 0.00 C ATOM 219 O ASN A 13 1.872 -3.084 13.485 1.00 0.00 O ATOM 220 CB ASN A 13 -0.699 -2.367 12.045 1.00 0.00 C ATOM 221 CG ASN A 13 -0.999 -2.063 13.500 1.00 0.00 C ATOM 222 OD1 ASN A 13 -0.878 -2.919 14.382 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.397 -0.848 13.757 1.00 0.00 N ATOM 0 H ASN A 13 1.184 -1.035 9.853 1.00 0.00 H new ATOM 0 HA ASN A 13 0.993 -1.039 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.390 -1.807 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.883 -3.425 11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -1.621 -0.576 14.714 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.484 -0.169 13.001 1.00 0.00 H new ATOM 230 N ASN A 14 2.616 -3.597 11.457 1.00 0.00 N ATOM 231 CA ASN A 14 3.640 -4.521 11.964 1.00 0.00 C ATOM 232 C ASN A 14 4.956 -3.805 12.285 1.00 0.00 C ATOM 233 O ASN A 14 6.004 -4.438 12.417 1.00 0.00 O ATOM 234 CB ASN A 14 3.880 -5.732 11.026 1.00 0.00 C ATOM 235 CG ASN A 14 4.312 -5.374 9.612 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.488 -5.162 9.335 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.379 -5.370 8.695 1.00 0.00 N ATOM 0 H ASN A 14 2.611 -3.487 10.443 1.00 0.00 H new ATOM 0 HA ASN A 14 3.241 -4.918 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.642 -6.372 11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.963 -6.318 10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.622 -5.187 7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.409 -5.549 8.954 1.00 0.00 H new ATOM 244 N GLY A 15 4.880 -2.502 12.476 1.00 0.00 N ATOM 245 CA GLY A 15 6.055 -1.724 12.822 1.00 0.00 C ATOM 246 C GLY A 15 6.612 -0.929 11.665 1.00 0.00 C ATOM 247 O GLY A 15 7.413 -0.022 11.867 1.00 0.00 O ATOM 0 H GLY A 15 4.019 -1.960 12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.803 -1.042 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.828 -2.395 13.197 1.00 0.00 H new ATOM 251 N LYS A 16 6.182 -1.240 10.471 1.00 0.00 N ATOM 252 CA LYS A 16 6.627 -0.516 9.301 1.00 0.00 C ATOM 253 C LYS A 16 5.429 -0.101 8.481 1.00 0.00 C ATOM 254 O LYS A 16 4.331 -0.663 8.649 1.00 0.00 O ATOM 255 CB LYS A 16 7.625 -1.347 8.459 1.00 0.00 C ATOM 256 CG LYS A 16 7.079 -2.665 7.929 1.00 0.00 C ATOM 257 CD LYS A 16 8.150 -3.452 7.181 1.00 0.00 C ATOM 258 CE LYS A 16 7.610 -4.788 6.693 1.00 0.00 C ATOM 259 NZ LYS A 16 8.637 -5.603 6.000 1.00 0.00 N ATOM 0 H LYS A 16 5.521 -1.993 10.279 1.00 0.00 H new ATOM 0 HA LYS A 16 7.161 0.377 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.956 -0.742 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.506 -1.554 9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.699 -3.262 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.238 -2.471 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.507 -2.869 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.006 -3.620 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.219 -5.349 7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.774 -4.612 6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.173 -6.249 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.287 -4.977 5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.172 -6.156 6.700 1.00 0.00 H new ATOM 273 N TYR A 17 5.621 0.876 7.635 1.00 0.00 N ATOM 274 CA TYR A 17 4.580 1.399 6.788 1.00 0.00 C ATOM 275 C TYR A 17 5.065 1.506 5.367 1.00 0.00 C ATOM 276 O TYR A 17 6.247 1.713 5.126 1.00 0.00 O ATOM 277 CB TYR A 17 4.106 2.771 7.276 1.00 0.00 C ATOM 278 CG TYR A 17 3.174 2.733 8.468 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.639 2.514 9.755 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.816 2.923 8.292 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.768 2.485 10.825 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.949 2.896 9.354 1.00 0.00 C ATOM 283 CZ TYR A 17 1.426 2.677 10.614 1.00 0.00 C ATOM 284 OH TYR A 17 0.556 2.654 11.674 1.00 0.00 O ATOM 0 H TYR A 17 6.521 1.340 7.512 1.00 0.00 H new ATOM 0 HA TYR A 17 3.738 0.708 6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.979 3.371 7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.602 3.279 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.695 2.364 9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.430 3.096 7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.141 2.312 11.824 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.108 3.048 9.194 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.047 1.886 11.586 1.00 0.00 H new ATOM 294 N VAL A 18 4.172 1.341 4.445 1.00 0.00 N ATOM 295 CA VAL A 18 4.482 1.456 3.040 1.00 0.00 C ATOM 296 C VAL A 18 3.973 2.793 2.528 1.00 0.00 C ATOM 297 O VAL A 18 2.868 3.224 2.895 1.00 0.00 O ATOM 298 CB VAL A 18 3.883 0.268 2.222 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.406 0.136 2.469 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.155 0.414 0.734 1.00 0.00 C ATOM 0 H VAL A 18 3.195 1.120 4.639 1.00 0.00 H new ATOM 0 HA VAL A 18 5.563 1.410 2.909 1.00 0.00 H new ATOM 0 HB VAL A 18 4.379 -0.640 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.013 -0.698 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.229 -0.045 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.903 1.056 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.722 -0.432 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.707 1.339 0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.231 0.440 0.562 1.00 0.00 H new ATOM 310 N LYS A 19 4.773 3.450 1.730 1.00 0.00 N ATOM 311 CA LYS A 19 4.440 4.749 1.207 1.00 0.00 C ATOM 312 C LYS A 19 3.703 4.569 -0.115 1.00 0.00 C ATOM 313 O LYS A 19 4.249 4.000 -1.068 1.00 0.00 O ATOM 314 CB LYS A 19 5.730 5.549 0.996 1.00 0.00 C ATOM 315 CG LYS A 19 5.535 7.027 0.699 1.00 0.00 C ATOM 316 CD LYS A 19 6.879 7.699 0.472 1.00 0.00 C ATOM 317 CE LYS A 19 6.763 9.209 0.424 1.00 0.00 C ATOM 318 NZ LYS A 19 8.080 9.848 0.225 1.00 0.00 N ATOM 0 H LYS A 19 5.679 3.097 1.423 1.00 0.00 H new ATOM 0 HA LYS A 19 3.800 5.290 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.348 5.453 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.286 5.100 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.906 7.148 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.016 7.507 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.565 7.414 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.310 7.339 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.092 9.498 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.319 9.570 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.964 10.881 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.712 9.592 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.492 9.522 -0.672 1.00 0.00 H new ATOM 332 N VAL A 20 2.483 5.028 -0.173 1.00 0.00 N ATOM 333 CA VAL A 20 1.688 4.873 -1.358 1.00 0.00 C ATOM 334 C VAL A 20 1.083 6.211 -1.782 1.00 0.00 C ATOM 335 O VAL A 20 0.515 6.951 -0.979 1.00 0.00 O ATOM 336 CB VAL A 20 0.585 3.776 -1.175 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.368 4.120 -0.051 1.00 0.00 C ATOM 338 CG2 VAL A 20 -0.177 3.514 -2.473 1.00 0.00 C ATOM 0 H VAL A 20 2.016 5.515 0.592 1.00 0.00 H new ATOM 0 HA VAL A 20 2.345 4.532 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 20 1.102 2.856 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.118 3.334 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.187 4.206 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.861 5.068 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.933 2.747 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.661 4.433 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.518 3.175 -3.241 1.00 0.00 H new ATOM 348 N ARG A 21 1.264 6.538 -3.019 1.00 0.00 N ATOM 349 CA ARG A 21 0.720 7.735 -3.571 1.00 0.00 C ATOM 350 C ARG A 21 -0.626 7.405 -4.181 1.00 0.00 C ATOM 351 O ARG A 21 -0.723 6.538 -5.064 1.00 0.00 O ATOM 352 CB ARG A 21 1.667 8.316 -4.624 1.00 0.00 C ATOM 353 CG ARG A 21 1.264 9.681 -5.165 1.00 0.00 C ATOM 354 CD ARG A 21 2.303 10.195 -6.150 1.00 0.00 C ATOM 355 NE ARG A 21 2.016 11.551 -6.646 1.00 0.00 N ATOM 356 CZ ARG A 21 2.879 12.302 -7.355 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.137 11.911 -7.506 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.496 13.464 -7.858 1.00 0.00 N ATOM 0 H ARG A 21 1.799 5.976 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 21 0.597 8.486 -2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.665 8.393 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.734 7.616 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.293 9.611 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.155 10.387 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.282 10.191 -5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.360 9.511 -6.997 1.00 0.00 H new ATOM 0 HE ARG A 21 1.100 11.949 -6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.454 11.038 -7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.788 12.483 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.543 13.795 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.154 14.029 -8.395 1.00 0.00 H new ATOM 372 N ILE A 22 -1.648 8.037 -3.674 1.00 0.00 N ATOM 373 CA ILE A 22 -2.990 7.853 -4.163 1.00 0.00 C ATOM 374 C ILE A 22 -3.183 8.823 -5.294 1.00 0.00 C ATOM 375 O ILE A 22 -3.249 10.035 -5.070 1.00 0.00 O ATOM 376 CB ILE A 22 -4.054 8.157 -3.067 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.762 7.383 -1.771 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.468 7.854 -3.574 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.685 5.878 -1.923 1.00 0.00 C ATOM 0 H ILE A 22 -1.574 8.701 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.119 6.816 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.995 9.221 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.818 7.739 -1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.538 7.620 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.191 8.075 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.681 8.470 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.539 6.801 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.475 5.425 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.635 5.501 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.889 5.623 -2.623 1.00 0.00 H new ATOM 391 N LEU A 23 -3.216 8.319 -6.485 1.00 0.00 N ATOM 392 CA LEU A 23 -3.368 9.149 -7.638 1.00 0.00 C ATOM 393 C LEU A 23 -4.835 9.314 -7.909 1.00 0.00 C ATOM 394 O LEU A 23 -5.501 8.363 -8.313 1.00 0.00 O ATOM 395 CB LEU A 23 -2.713 8.463 -8.840 1.00 0.00 C ATOM 396 CG LEU A 23 -1.232 8.119 -8.700 1.00 0.00 C ATOM 397 CD1 LEU A 23 -0.783 7.258 -9.864 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.401 9.388 -8.635 1.00 0.00 C ATOM 0 H LEU A 23 -3.139 7.322 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.900 10.119 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.259 7.543 -9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.833 9.109 -9.710 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.089 7.561 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.275 7.019 -9.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.364 6.336 -9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.937 7.799 -10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.653 9.128 -8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.547 9.966 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.711 9.982 -7.775 1.00 0.00 H new ATOM 410 N LYS A 24 -5.351 10.484 -7.677 1.00 0.00 N ATOM 411 CA LYS A 24 -6.726 10.717 -7.972 1.00 0.00 C ATOM 412 C LYS A 24 -6.802 11.399 -9.319 1.00 0.00 C ATOM 413 O LYS A 24 -6.511 12.598 -9.451 1.00 0.00 O ATOM 414 CB LYS A 24 -7.373 11.585 -6.878 1.00 0.00 C ATOM 415 CG LYS A 24 -8.867 11.846 -7.080 1.00 0.00 C ATOM 416 CD LYS A 24 -9.426 12.834 -6.049 1.00 0.00 C ATOM 417 CE LYS A 24 -9.418 12.292 -4.618 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.325 11.137 -4.441 1.00 0.00 N ATOM 0 H LYS A 24 -4.845 11.281 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.273 9.774 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.229 11.099 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.852 12.541 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.033 12.237 -8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.411 10.904 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.841 13.753 -6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.448 13.095 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.403 11.996 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.709 13.087 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.641 11.092 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.151 11.246 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.822 10.260 -4.684 1.00 0.00 H new ATOM 432 N SER A 25 -7.198 10.658 -10.298 1.00 0.00 N ATOM 433 CA SER A 25 -7.295 11.140 -11.628 1.00 0.00 C ATOM 434 C SER A 25 -8.740 11.490 -11.929 1.00 0.00 C ATOM 435 O SER A 25 -9.568 10.628 -12.252 1.00 0.00 O ATOM 436 CB SER A 25 -6.765 10.081 -12.575 1.00 0.00 C ATOM 437 OG SER A 25 -5.477 9.653 -12.145 1.00 0.00 O ATOM 0 H SER A 25 -7.468 9.680 -10.190 1.00 0.00 H new ATOM 0 HA SER A 25 -6.698 12.043 -11.757 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.449 9.233 -12.607 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.707 10.481 -13.587 1.00 0.00 H new ATOM 0 HG SER A 25 -5.138 8.968 -12.758 1.00 0.00 H new ATOM 443 N ARG A 26 -9.058 12.741 -11.766 1.00 0.00 N ATOM 444 CA ARG A 26 -10.401 13.214 -11.965 1.00 0.00 C ATOM 445 C ARG A 26 -10.617 13.497 -13.434 1.00 0.00 C ATOM 446 O ARG A 26 -11.731 13.427 -13.940 1.00 0.00 O ATOM 447 CB ARG A 26 -10.658 14.464 -11.128 1.00 0.00 C ATOM 448 CG ARG A 26 -12.100 14.913 -11.152 1.00 0.00 C ATOM 449 CD ARG A 26 -12.324 16.099 -10.257 1.00 0.00 C ATOM 450 NE ARG A 26 -13.736 16.473 -10.209 1.00 0.00 N ATOM 451 CZ ARG A 26 -14.257 17.349 -9.354 1.00 0.00 C ATOM 452 NH1 ARG A 26 -13.470 17.988 -8.484 1.00 0.00 N ATOM 453 NH2 ARG A 26 -15.559 17.593 -9.369 1.00 0.00 N ATOM 0 H ARG A 26 -8.394 13.465 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.106 12.448 -11.642 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.362 14.270 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.026 15.274 -11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.386 15.167 -12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.743 14.091 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.973 15.869 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.735 16.943 -10.615 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.366 16.031 -10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.467 17.805 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.872 18.659 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.161 17.109 -10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.960 18.264 -8.714 1.00 0.00 H new ATOM 467 N ASP A 27 -9.522 13.748 -14.126 1.00 0.00 N ATOM 468 CA ASP A 27 -9.537 14.033 -15.561 1.00 0.00 C ATOM 469 C ASP A 27 -9.834 12.770 -16.374 1.00 0.00 C ATOM 470 O ASP A 27 -10.107 12.838 -17.569 1.00 0.00 O ATOM 471 CB ASP A 27 -8.214 14.677 -16.013 1.00 0.00 C ATOM 472 CG ASP A 27 -6.992 13.813 -15.771 1.00 0.00 C ATOM 473 OD1 ASP A 27 -6.451 13.826 -14.636 1.00 0.00 O ATOM 474 OD2 ASP A 27 -6.529 13.138 -16.706 1.00 0.00 O ATOM 0 H ASP A 27 -8.589 13.762 -13.713 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.339 14.747 -15.746 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.279 14.907 -17.077 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.086 15.624 -15.489 1.00 0.00 H new ATOM 479 N ASP A 28 -9.783 11.630 -15.707 1.00 0.00 N ATOM 480 CA ASP A 28 -10.132 10.332 -16.299 1.00 0.00 C ATOM 481 C ASP A 28 -11.533 9.939 -15.884 1.00 0.00 C ATOM 482 O ASP A 28 -11.987 8.826 -16.159 1.00 0.00 O ATOM 483 CB ASP A 28 -9.150 9.217 -15.911 1.00 0.00 C ATOM 484 CG ASP A 28 -7.784 9.366 -16.522 1.00 0.00 C ATOM 485 OD1 ASP A 28 -7.647 9.248 -17.772 1.00 0.00 O ATOM 486 OD2 ASP A 28 -6.817 9.598 -15.784 1.00 0.00 O ATOM 0 H ASP A 28 -9.497 11.569 -14.730 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.075 10.451 -17.381 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.051 9.195 -14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.569 8.257 -16.212 1.00 0.00 H new ATOM 491 N ASN A 29 -12.179 10.856 -15.172 1.00 0.00 N ATOM 492 CA ASN A 29 -13.521 10.701 -14.604 1.00 0.00 C ATOM 493 C ASN A 29 -13.472 9.822 -13.366 1.00 0.00 C ATOM 494 O ASN A 29 -13.803 8.631 -13.406 1.00 0.00 O ATOM 495 CB ASN A 29 -14.592 10.226 -15.631 1.00 0.00 C ATOM 496 CG ASN A 29 -16.015 10.248 -15.074 1.00 0.00 C ATOM 497 OD1 ASN A 29 -16.712 11.261 -15.162 1.00 0.00 O ATOM 498 ND2 ASN A 29 -16.468 9.147 -14.541 1.00 0.00 N ATOM 0 H ASN A 29 -11.768 11.766 -14.964 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.854 11.696 -14.308 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.545 10.862 -16.515 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.351 9.213 -15.954 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.422 9.109 -14.183 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.868 8.324 -14.482 1.00 0.00 H new ATOM 505 N SER A 30 -12.939 10.422 -12.308 1.00 0.00 N ATOM 506 CA SER A 30 -12.796 9.841 -10.976 1.00 0.00 C ATOM 507 C SER A 30 -12.180 8.425 -10.991 1.00 0.00 C ATOM 508 O SER A 30 -12.881 7.409 -10.844 1.00 0.00 O ATOM 509 CB SER A 30 -14.130 9.897 -10.201 1.00 0.00 C ATOM 510 OG SER A 30 -13.956 9.605 -8.818 1.00 0.00 O ATOM 0 H SER A 30 -12.577 11.374 -12.357 1.00 0.00 H new ATOM 0 HA SER A 30 -12.076 10.458 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.571 10.888 -10.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.832 9.186 -10.636 1.00 0.00 H new ATOM 0 HG SER A 30 -14.822 9.652 -8.362 1.00 0.00 H new ATOM 516 N VAL A 31 -10.899 8.371 -11.252 1.00 0.00 N ATOM 517 CA VAL A 31 -10.152 7.132 -11.250 1.00 0.00 C ATOM 518 C VAL A 31 -9.039 7.265 -10.241 1.00 0.00 C ATOM 519 O VAL A 31 -8.199 8.143 -10.360 1.00 0.00 O ATOM 520 CB VAL A 31 -9.541 6.820 -12.652 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.720 5.533 -12.629 1.00 0.00 C ATOM 522 CG2 VAL A 31 -10.631 6.719 -13.701 1.00 0.00 C ATOM 0 H VAL A 31 -10.336 9.192 -11.475 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.826 6.314 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.876 7.644 -12.909 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.309 5.346 -13.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.905 5.634 -11.912 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -9.359 4.699 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.184 6.501 -14.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.322 5.920 -13.432 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.172 7.663 -13.755 1.00 0.00 H new ATOM 532 N GLU A 32 -9.056 6.454 -9.232 1.00 0.00 N ATOM 533 CA GLU A 32 -8.034 6.519 -8.231 1.00 0.00 C ATOM 534 C GLU A 32 -7.088 5.357 -8.375 1.00 0.00 C ATOM 535 O GLU A 32 -7.454 4.203 -8.152 1.00 0.00 O ATOM 536 CB GLU A 32 -8.651 6.598 -6.848 1.00 0.00 C ATOM 537 CG GLU A 32 -9.527 7.823 -6.693 1.00 0.00 C ATOM 538 CD GLU A 32 -10.206 7.894 -5.375 1.00 0.00 C ATOM 539 OE1 GLU A 32 -11.296 7.307 -5.222 1.00 0.00 O ATOM 540 OE2 GLU A 32 -9.707 8.576 -4.473 1.00 0.00 O ATOM 0 H GLU A 32 -9.766 5.738 -9.077 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.449 7.428 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.243 5.702 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.860 6.619 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.918 8.717 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.279 7.826 -7.482 1.00 0.00 H new ATOM 547 N LYS A 33 -5.903 5.660 -8.798 1.00 0.00 N ATOM 548 CA LYS A 33 -4.877 4.683 -9.011 1.00 0.00 C ATOM 549 C LYS A 33 -3.935 4.669 -7.846 1.00 0.00 C ATOM 550 O LYS A 33 -3.626 5.709 -7.267 1.00 0.00 O ATOM 551 CB LYS A 33 -4.104 4.973 -10.310 1.00 0.00 C ATOM 552 CG LYS A 33 -4.845 4.650 -11.615 1.00 0.00 C ATOM 553 CD LYS A 33 -4.627 3.197 -12.088 1.00 0.00 C ATOM 554 CE LYS A 33 -5.177 2.154 -11.132 1.00 0.00 C ATOM 555 NZ LYS A 33 -4.969 0.786 -11.639 1.00 0.00 N ATOM 0 H LYS A 33 -5.612 6.614 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.348 3.705 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.832 6.028 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.174 4.404 -10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.912 4.824 -11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.511 5.334 -12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.097 3.067 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.559 3.025 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.693 2.260 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.242 2.327 -10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.357 0.101 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.452 0.678 -12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.951 0.612 -11.762 1.00 0.00 H new ATOM 569 N TYR A 34 -3.506 3.513 -7.485 1.00 0.00 N ATOM 570 CA TYR A 34 -2.566 3.374 -6.430 1.00 0.00 C ATOM 571 C TYR A 34 -1.220 3.156 -7.074 1.00 0.00 C ATOM 572 O TYR A 34 -1.127 2.426 -8.079 1.00 0.00 O ATOM 573 CB TYR A 34 -2.980 2.214 -5.514 1.00 0.00 C ATOM 574 CG TYR A 34 -4.403 2.375 -4.991 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.690 3.253 -3.961 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.462 1.679 -5.562 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.985 3.427 -3.507 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.755 1.850 -5.122 1.00 0.00 C ATOM 579 CZ TYR A 34 -7.013 2.725 -4.098 1.00 0.00 C ATOM 580 OH TYR A 34 -8.307 2.900 -3.658 1.00 0.00 O ATOM 0 H TYR A 34 -3.797 2.634 -7.913 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.523 4.260 -5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.900 1.275 -6.061 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.290 2.153 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.888 3.813 -3.503 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.266 0.989 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.189 4.109 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.562 1.298 -5.581 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.910 2.332 -4.181 1.00 0.00 H new ATOM 590 N VAL A 35 -0.196 3.798 -6.544 1.00 0.00 N ATOM 591 CA VAL A 35 1.122 3.751 -7.153 1.00 0.00 C ATOM 592 C VAL A 35 1.710 2.324 -7.105 1.00 0.00 C ATOM 593 O VAL A 35 1.497 1.553 -6.147 1.00 0.00 O ATOM 594 CB VAL A 35 2.101 4.779 -6.498 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.499 4.363 -5.098 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.325 5.039 -7.370 1.00 0.00 C ATOM 0 H VAL A 35 -0.250 4.358 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 35 1.002 4.033 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 35 1.558 5.721 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.180 5.104 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.609 4.292 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.995 3.393 -5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.977 5.759 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.866 4.106 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.007 5.438 -8.333 1.00 0.00 H new ATOM 606 N LEU A 36 2.443 1.993 -8.133 1.00 0.00 N ATOM 607 CA LEU A 36 2.988 0.682 -8.340 1.00 0.00 C ATOM 608 C LEU A 36 4.208 0.366 -7.481 1.00 0.00 C ATOM 609 O LEU A 36 4.709 -0.754 -7.518 1.00 0.00 O ATOM 610 CB LEU A 36 3.243 0.404 -9.822 1.00 0.00 C ATOM 611 CG LEU A 36 2.005 0.218 -10.735 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.053 -0.837 -10.188 1.00 0.00 C ATOM 613 CD2 LEU A 36 1.274 1.526 -10.986 1.00 0.00 C ATOM 0 H LEU A 36 2.684 2.652 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 36 2.217 -0.008 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.836 1.226 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.854 -0.495 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 36 2.382 -0.135 -11.695 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.198 -0.937 -10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.572 -1.793 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.707 -0.537 -9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.414 1.344 -11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.935 1.941 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.948 2.232 -11.471 1.00 0.00 H new ATOM 625 N THR A 37 4.682 1.319 -6.723 1.00 0.00 N ATOM 626 CA THR A 37 5.796 1.071 -5.844 1.00 0.00 C ATOM 627 C THR A 37 5.262 0.622 -4.483 1.00 0.00 C ATOM 628 O THR A 37 4.097 0.895 -4.141 1.00 0.00 O ATOM 629 CB THR A 37 6.734 2.316 -5.694 1.00 0.00 C ATOM 630 OG1 THR A 37 7.839 1.994 -4.846 1.00 0.00 O ATOM 631 CG2 THR A 37 6.000 3.514 -5.105 1.00 0.00 C ATOM 0 H THR A 37 4.317 2.271 -6.696 1.00 0.00 H new ATOM 0 HA THR A 37 6.408 0.283 -6.283 1.00 0.00 H new ATOM 0 HB THR A 37 7.082 2.580 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.423 2.776 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.688 4.355 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.171 3.789 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.616 3.256 -4.118 1.00 0.00 H new ATOM 639 N SER A 38 6.054 -0.144 -3.775 1.00 0.00 N ATOM 640 CA SER A 38 5.684 -0.661 -2.476 1.00 0.00 C ATOM 641 C SER A 38 6.789 -0.384 -1.456 1.00 0.00 C ATOM 642 O SER A 38 6.929 -1.109 -0.475 1.00 0.00 O ATOM 643 CB SER A 38 5.405 -2.148 -2.595 1.00 0.00 C ATOM 644 OG SER A 38 4.458 -2.380 -3.633 1.00 0.00 O ATOM 0 H SER A 38 6.983 -0.430 -4.085 1.00 0.00 H new ATOM 0 HA SER A 38 4.782 -0.160 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.330 -2.685 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.023 -2.532 -1.649 1.00 0.00 H new ATOM 0 HG SER A 38 4.926 -2.669 -4.444 1.00 0.00 H new ATOM 650 N HIS A 39 7.575 0.663 -1.709 1.00 0.00 N ATOM 651 CA HIS A 39 8.676 1.033 -0.812 1.00 0.00 C ATOM 652 C HIS A 39 8.199 1.322 0.605 1.00 0.00 C ATOM 653 O HIS A 39 7.277 2.123 0.832 1.00 0.00 O ATOM 654 CB HIS A 39 9.517 2.200 -1.353 1.00 0.00 C ATOM 655 CG HIS A 39 10.515 1.813 -2.408 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.783 2.343 -2.465 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.421 0.971 -3.464 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.422 1.850 -3.504 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.617 1.014 -4.127 1.00 0.00 N ATOM 0 H HIS A 39 7.473 1.269 -2.523 1.00 0.00 H new ATOM 0 HA HIS A 39 9.324 0.158 -0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.846 2.954 -1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.048 2.665 -0.522 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.561 0.376 -3.733 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.434 2.090 -3.796 1.00 0.00 H new ATOM 0 HE2 HIS A 39 11.848 0.484 -4.968 1.00 0.00 H new ATOM 668 N VAL A 40 8.835 0.672 1.541 1.00 0.00 N ATOM 669 CA VAL A 40 8.487 0.772 2.933 1.00 0.00 C ATOM 670 C VAL A 40 9.412 1.674 3.700 1.00 0.00 C ATOM 671 O VAL A 40 10.548 1.930 3.298 1.00 0.00 O ATOM 672 CB VAL A 40 8.401 -0.603 3.646 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.152 -1.328 3.233 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.628 -1.464 3.341 1.00 0.00 C ATOM 0 H VAL A 40 9.621 0.049 1.356 1.00 0.00 H new ATOM 0 HA VAL A 40 7.491 1.214 2.930 1.00 0.00 H new ATOM 0 HB VAL A 40 8.371 -0.420 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.105 -2.291 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.280 -0.733 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.163 -1.487 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.538 -2.421 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.695 -1.634 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.527 -0.951 3.684 1.00 0.00 H new ATOM 684 N SER A 41 8.894 2.186 4.767 1.00 0.00 N ATOM 685 CA SER A 41 9.606 2.988 5.695 1.00 0.00 C ATOM 686 C SER A 41 9.324 2.419 7.090 1.00 0.00 C ATOM 687 O SER A 41 8.201 1.995 7.372 1.00 0.00 O ATOM 688 CB SER A 41 9.130 4.435 5.566 1.00 0.00 C ATOM 689 OG SER A 41 9.269 4.868 4.207 1.00 0.00 O ATOM 0 H SER A 41 7.917 2.048 5.024 1.00 0.00 H new ATOM 0 HA SER A 41 10.680 2.977 5.510 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.089 4.515 5.879 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.712 5.080 6.225 1.00 0.00 H new ATOM 0 HG SER A 41 8.962 5.795 4.126 1.00 0.00 H new ATOM 695 N LYS A 42 10.326 2.373 7.941 1.00 0.00 N ATOM 696 CA LYS A 42 10.172 1.787 9.278 1.00 0.00 C ATOM 697 C LYS A 42 9.826 2.843 10.312 1.00 0.00 C ATOM 698 O LYS A 42 9.920 2.614 11.533 1.00 0.00 O ATOM 699 CB LYS A 42 11.416 1.003 9.685 1.00 0.00 C ATOM 700 CG LYS A 42 11.679 -0.218 8.813 1.00 0.00 C ATOM 701 CD LYS A 42 12.891 -1.018 9.283 1.00 0.00 C ATOM 702 CE LYS A 42 12.707 -1.580 10.689 1.00 0.00 C ATOM 703 NZ LYS A 42 13.873 -2.379 11.115 1.00 0.00 N ATOM 0 H LYS A 42 11.260 2.731 7.742 1.00 0.00 H new ATOM 0 HA LYS A 42 9.338 1.087 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.282 1.664 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.311 0.683 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.799 -0.861 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.835 0.101 7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.074 -1.838 8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.774 -0.380 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.551 -0.761 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.811 -2.200 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.711 -2.744 12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.006 -3.175 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.724 -1.781 11.111 1.00 0.00 H new ATOM 717 N ASN A 43 9.419 3.980 9.821 1.00 0.00 N ATOM 718 CA ASN A 43 8.968 5.065 10.648 1.00 0.00 C ATOM 719 C ASN A 43 7.480 5.054 10.621 1.00 0.00 C ATOM 720 O ASN A 43 6.885 4.762 9.583 1.00 0.00 O ATOM 721 CB ASN A 43 9.485 6.426 10.152 1.00 0.00 C ATOM 722 CG ASN A 43 10.989 6.578 10.252 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.515 7.010 11.272 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.693 6.237 9.206 1.00 0.00 N ATOM 0 H ASN A 43 9.391 4.182 8.822 1.00 0.00 H new ATOM 0 HA ASN A 43 9.354 4.930 11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.183 6.563 9.114 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.009 7.218 10.730 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.709 6.327 9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.227 5.881 8.372 1.00 0.00 H new ATOM 731 N ARG A 44 6.871 5.322 11.736 1.00 0.00 N ATOM 732 CA ARG A 44 5.441 5.320 11.817 1.00 0.00 C ATOM 733 C ARG A 44 4.925 6.749 11.732 1.00 0.00 C ATOM 734 O ARG A 44 5.148 7.555 12.638 1.00 0.00 O ATOM 735 CB ARG A 44 4.972 4.606 13.086 1.00 0.00 C ATOM 736 CG ARG A 44 5.438 3.152 13.139 1.00 0.00 C ATOM 737 CD ARG A 44 4.863 2.405 14.321 1.00 0.00 C ATOM 738 NE ARG A 44 5.321 2.934 15.606 1.00 0.00 N ATOM 739 CZ ARG A 44 4.898 2.509 16.802 1.00 0.00 C ATOM 740 NH1 ARG A 44 3.922 1.605 16.890 1.00 0.00 N ATOM 741 NH2 ARG A 44 5.438 3.007 17.905 1.00 0.00 N ATOM 0 H ARG A 44 7.347 5.547 12.610 1.00 0.00 H new ATOM 0 HA ARG A 44 5.027 4.764 10.976 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.348 5.138 13.960 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.884 4.639 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.148 2.647 12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.526 3.124 13.189 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.775 2.454 14.281 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.138 1.353 14.248 1.00 0.00 H new ATOM 0 HE ARG A 44 6.014 3.682 15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.493 1.233 16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.604 1.285 17.805 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.173 3.711 17.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.119 2.686 18.819 1.00 0.00 H new ATOM 755 N PRO A 45 4.294 7.103 10.611 1.00 0.00 N ATOM 756 CA PRO A 45 3.819 8.452 10.372 1.00 0.00 C ATOM 757 C PRO A 45 2.500 8.761 11.058 1.00 0.00 C ATOM 758 O PRO A 45 1.522 8.018 10.940 1.00 0.00 O ATOM 759 CB PRO A 45 3.639 8.502 8.863 1.00 0.00 C ATOM 760 CG PRO A 45 3.318 7.100 8.477 1.00 0.00 C ATOM 761 CD PRO A 45 4.001 6.209 9.472 1.00 0.00 C ATOM 0 HA PRO A 45 4.518 9.188 10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.837 9.184 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.544 8.853 8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.241 6.934 8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.666 6.888 7.466 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.360 5.379 9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.912 5.776 9.060 1.00 0.00 H new ATOM 769 N LYS A 46 2.494 9.841 11.784 1.00 0.00 N ATOM 770 CA LYS A 46 1.297 10.344 12.416 1.00 0.00 C ATOM 771 C LYS A 46 0.894 11.646 11.721 1.00 0.00 C ATOM 772 O LYS A 46 -0.219 12.149 11.884 1.00 0.00 O ATOM 773 CB LYS A 46 1.551 10.585 13.910 1.00 0.00 C ATOM 774 CG LYS A 46 2.050 9.358 14.675 1.00 0.00 C ATOM 775 CD LYS A 46 1.064 8.201 14.589 1.00 0.00 C ATOM 776 CE LYS A 46 1.581 6.970 15.314 1.00 0.00 C ATOM 777 NZ LYS A 46 1.724 7.195 16.769 1.00 0.00 N ATOM 0 H LYS A 46 3.325 10.407 11.959 1.00 0.00 H new ATOM 0 HA LYS A 46 0.491 9.616 12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.282 11.386 14.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.627 10.934 14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.014 9.045 14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.211 9.622 15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.109 8.503 15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.879 7.957 13.543 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.899 6.137 15.143 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.546 6.683 14.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.931 6.292 17.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.502 7.863 16.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.839 7.589 17.148 1.00 0.00 H new ATOM 791 N ASN A 47 1.819 12.175 10.923 1.00 0.00 N ATOM 792 CA ASN A 47 1.599 13.414 10.163 1.00 0.00 C ATOM 793 C ASN A 47 1.001 13.099 8.801 1.00 0.00 C ATOM 794 O ASN A 47 0.681 13.998 8.020 1.00 0.00 O ATOM 795 CB ASN A 47 2.917 14.201 9.955 1.00 0.00 C ATOM 796 CG ASN A 47 3.947 13.456 9.100 1.00 0.00 C ATOM 797 OD1 ASN A 47 3.941 13.551 7.873 1.00 0.00 O ATOM 798 ND2 ASN A 47 4.850 12.746 9.735 1.00 0.00 N ATOM 0 H ASN A 47 2.741 11.762 10.782 1.00 0.00 H new ATOM 0 HA ASN A 47 0.911 14.028 10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.689 15.157 9.484 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.356 14.422 10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.573 12.254 9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.829 12.687 10.753 1.00 0.00 H new ATOM 805 N ALA A 48 0.851 11.837 8.523 1.00 0.00 N ATOM 806 CA ALA A 48 0.341 11.395 7.260 1.00 0.00 C ATOM 807 C ALA A 48 -0.846 10.507 7.497 1.00 0.00 C ATOM 808 O ALA A 48 -1.008 9.973 8.603 1.00 0.00 O ATOM 809 CB ALA A 48 1.413 10.660 6.478 1.00 0.00 C ATOM 0 H ALA A 48 1.080 11.082 9.170 1.00 0.00 H new ATOM 0 HA ALA A 48 0.035 12.259 6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.006 10.332 5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.258 11.327 6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.747 9.792 7.046 1.00 0.00 H new ATOM 815 N ILE A 49 -1.652 10.342 6.496 1.00 0.00 N ATOM 816 CA ILE A 49 -2.848 9.546 6.595 1.00 0.00 C ATOM 817 C ILE A 49 -2.491 8.083 6.374 1.00 0.00 C ATOM 818 O ILE A 49 -1.702 7.753 5.473 1.00 0.00 O ATOM 819 CB ILE A 49 -3.913 10.009 5.550 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.248 11.510 5.729 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.181 9.159 5.622 1.00 0.00 C ATOM 822 CD1 ILE A 49 -4.815 11.881 7.094 1.00 0.00 C ATOM 0 H ILE A 49 -1.503 10.757 5.576 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.279 9.672 7.588 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.479 9.870 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.343 12.093 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.966 11.801 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.898 9.511 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.933 8.117 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.618 9.241 6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.018 12.951 7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.740 11.331 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.093 11.627 7.869 1.00 0.00 H new ATOM 834 N VAL A 50 -3.020 7.225 7.209 1.00 0.00 N ATOM 835 CA VAL A 50 -2.759 5.817 7.103 1.00 0.00 C ATOM 836 C VAL A 50 -4.050 5.066 6.780 1.00 0.00 C ATOM 837 O VAL A 50 -5.099 5.313 7.383 1.00 0.00 O ATOM 838 CB VAL A 50 -2.058 5.229 8.378 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.730 5.931 8.630 1.00 0.00 C ATOM 840 CG2 VAL A 50 -2.945 5.313 9.620 1.00 0.00 C ATOM 0 H VAL A 50 -3.640 7.483 7.977 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.054 5.678 6.283 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.874 4.173 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.259 5.510 9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.075 5.790 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.905 6.996 8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.415 4.893 10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.191 6.356 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.863 4.750 9.450 1.00 0.00 H new ATOM 850 N ILE A 51 -3.993 4.215 5.798 1.00 0.00 N ATOM 851 CA ILE A 51 -5.147 3.435 5.395 1.00 0.00 C ATOM 852 C ILE A 51 -4.840 1.968 5.659 1.00 0.00 C ATOM 853 O ILE A 51 -3.795 1.491 5.267 1.00 0.00 O ATOM 854 CB ILE A 51 -5.479 3.648 3.885 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.633 5.153 3.576 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.764 2.907 3.517 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.906 5.468 2.114 1.00 0.00 C ATOM 0 H ILE A 51 -3.152 4.036 5.249 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.017 3.756 5.967 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.657 3.249 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.447 5.554 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.724 5.670 3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.985 3.064 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.637 1.841 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.589 3.287 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.000 6.546 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.082 5.100 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.832 4.983 1.804 1.00 0.00 H new ATOM 869 N LYS A 52 -5.724 1.269 6.334 1.00 0.00 N ATOM 870 CA LYS A 52 -5.467 -0.118 6.709 1.00 0.00 C ATOM 871 C LYS A 52 -5.673 -1.050 5.498 1.00 0.00 C ATOM 872 O LYS A 52 -6.522 -0.774 4.643 1.00 0.00 O ATOM 873 CB LYS A 52 -6.353 -0.504 7.900 1.00 0.00 C ATOM 874 CG LYS A 52 -6.034 -1.856 8.531 1.00 0.00 C ATOM 875 CD LYS A 52 -6.961 -2.162 9.707 1.00 0.00 C ATOM 876 CE LYS A 52 -6.757 -1.218 10.896 1.00 0.00 C ATOM 877 NZ LYS A 52 -5.436 -1.397 11.556 1.00 0.00 N ATOM 0 H LYS A 52 -6.628 1.630 6.638 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.428 -0.228 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.263 0.267 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.393 -0.509 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.128 -2.640 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.999 -1.864 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.996 -2.096 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.796 -3.189 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.851 -0.187 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.548 -1.385 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.405 -0.834 12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.296 -2.401 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.681 -1.081 10.914 1.00 0.00 H new ATOM 891 N MET A 53 -4.907 -2.166 5.469 1.00 0.00 N ATOM 892 CA MET A 53 -4.829 -3.122 4.323 1.00 0.00 C ATOM 893 C MET A 53 -6.179 -3.511 3.764 1.00 0.00 C ATOM 894 O MET A 53 -6.367 -3.540 2.554 1.00 0.00 O ATOM 895 CB MET A 53 -4.124 -4.434 4.721 1.00 0.00 C ATOM 896 CG MET A 53 -2.637 -4.365 5.021 1.00 0.00 C ATOM 897 SD MET A 53 -1.979 -6.022 5.374 1.00 0.00 S ATOM 898 CE MET A 53 -0.233 -5.697 5.592 1.00 0.00 C ATOM 0 H MET A 53 -4.313 -2.438 6.252 1.00 0.00 H new ATOM 0 HA MET A 53 -4.264 -2.580 3.565 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.627 -4.833 5.602 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.272 -5.154 3.916 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.109 -3.931 4.172 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.462 -3.709 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.316 -6.638 5.583 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.123 -5.061 4.781 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.073 -5.193 6.545 1.00 0.00 H new ATOM 908 N ASP A 54 -7.108 -3.774 4.654 1.00 0.00 N ATOM 909 CA ASP A 54 -8.435 -4.321 4.302 1.00 0.00 C ATOM 910 C ASP A 54 -9.279 -3.377 3.407 1.00 0.00 C ATOM 911 O ASP A 54 -10.266 -3.795 2.790 1.00 0.00 O ATOM 912 CB ASP A 54 -9.190 -4.728 5.581 1.00 0.00 C ATOM 913 CG ASP A 54 -10.515 -5.422 5.317 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.510 -6.583 4.837 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.579 -4.838 5.634 1.00 0.00 O ATOM 0 H ASP A 54 -6.981 -3.620 5.654 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.265 -5.208 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.556 -5.389 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.371 -3.838 6.184 1.00 0.00 H new ATOM 920 N ASN A 55 -8.892 -2.117 3.323 1.00 0.00 N ATOM 921 CA ASN A 55 -9.598 -1.174 2.449 1.00 0.00 C ATOM 922 C ASN A 55 -9.072 -1.271 1.021 1.00 0.00 C ATOM 923 O ASN A 55 -9.797 -1.027 0.056 1.00 0.00 O ATOM 924 CB ASN A 55 -9.466 0.280 2.963 1.00 0.00 C ATOM 925 CG ASN A 55 -10.160 1.309 2.051 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.349 1.592 2.208 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.424 1.885 1.117 1.00 0.00 N ATOM 0 H ASN A 55 -8.106 -1.719 3.837 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.654 -1.444 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.892 0.345 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.410 0.534 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.838 2.585 0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.442 1.630 1.012 1.00 0.00 H new ATOM 934 N LEU A 56 -7.839 -1.679 0.891 1.00 0.00 N ATOM 935 CA LEU A 56 -7.169 -1.677 -0.388 1.00 0.00 C ATOM 936 C LEU A 56 -7.487 -2.922 -1.194 1.00 0.00 C ATOM 937 O LEU A 56 -7.619 -4.011 -0.633 1.00 0.00 O ATOM 938 CB LEU A 56 -5.638 -1.509 -0.241 1.00 0.00 C ATOM 939 CG LEU A 56 -5.119 -0.154 0.287 1.00 0.00 C ATOM 940 CD1 LEU A 56 -5.639 1.011 -0.545 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.438 0.038 1.757 1.00 0.00 C ATOM 0 H LEU A 56 -7.269 -2.022 1.664 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.551 -0.813 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.276 -2.291 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.185 -1.686 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.034 -0.171 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.252 1.947 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.309 0.896 -1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.728 1.024 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.056 1.003 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.518 0.006 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.970 -0.757 2.338 1.00 0.00 H new ATOM 953 N PRO A 57 -7.651 -2.769 -2.524 1.00 0.00 N ATOM 954 CA PRO A 57 -7.909 -3.890 -3.437 1.00 0.00 C ATOM 955 C PRO A 57 -6.770 -4.928 -3.421 1.00 0.00 C ATOM 956 O PRO A 57 -5.634 -4.637 -2.962 1.00 0.00 O ATOM 957 CB PRO A 57 -7.994 -3.217 -4.812 1.00 0.00 C ATOM 958 CG PRO A 57 -8.317 -1.798 -4.529 1.00 0.00 C ATOM 959 CD PRO A 57 -7.639 -1.477 -3.243 1.00 0.00 C ATOM 0 HA PRO A 57 -8.807 -4.442 -3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.052 -3.306 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.763 -3.680 -5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.963 -1.149 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.394 -1.650 -4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.624 -1.114 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.171 -0.703 -2.690 1.00 0.00 H new ATOM 967 N ILE A 58 -7.043 -6.117 -3.953 1.00 0.00 N ATOM 968 CA ILE A 58 -6.079 -7.201 -3.917 1.00 0.00 C ATOM 969 C ILE A 58 -4.802 -6.909 -4.683 1.00 0.00 C ATOM 970 O ILE A 58 -3.759 -7.416 -4.319 1.00 0.00 O ATOM 971 CB ILE A 58 -6.669 -8.627 -4.232 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.378 -8.744 -5.604 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.597 -9.072 -3.125 1.00 0.00 C ATOM 974 CD1 ILE A 58 -6.459 -8.804 -6.808 1.00 0.00 C ATOM 0 H ILE A 58 -7.924 -6.349 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.795 -7.250 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.806 -9.290 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.999 -9.640 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.048 -7.892 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.996 -10.059 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.047 -9.116 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.419 -8.362 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.055 -8.885 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.855 -7.898 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.806 -9.672 -6.724 1.00 0.00 H new ATOM 986 N GLU A 59 -4.882 -6.061 -5.720 1.00 0.00 N ATOM 987 CA GLU A 59 -3.691 -5.653 -6.478 1.00 0.00 C ATOM 988 C GLU A 59 -2.705 -4.912 -5.590 1.00 0.00 C ATOM 989 O GLU A 59 -1.483 -5.128 -5.671 1.00 0.00 O ATOM 990 CB GLU A 59 -4.039 -4.758 -7.661 1.00 0.00 C ATOM 991 CG GLU A 59 -4.807 -5.427 -8.768 1.00 0.00 C ATOM 992 CD GLU A 59 -4.972 -4.515 -9.959 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.080 -4.489 -10.839 1.00 0.00 O ATOM 994 OE2 GLU A 59 -5.987 -3.791 -10.034 1.00 0.00 O ATOM 0 H GLU A 59 -5.754 -5.647 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.241 -6.573 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.622 -3.912 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.115 -4.354 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.289 -6.336 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.788 -5.728 -8.401 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.232 -4.068 -4.726 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.409 -3.269 -3.846 1.00 0.00 C ATOM 1003 C VAL A 60 -1.772 -4.161 -2.808 1.00 0.00 C ATOM 1004 O VAL A 60 -0.552 -4.124 -2.613 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.218 -2.149 -3.152 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -2.312 -1.259 -2.302 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.976 -1.320 -4.174 1.00 0.00 C ATOM 0 H VAL A 60 -4.235 -3.918 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.640 -2.788 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.942 -2.623 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.909 -0.481 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.825 -1.862 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.555 -0.799 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.538 -0.538 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.270 -0.865 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.664 -1.961 -4.724 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.591 -5.008 -2.195 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.116 -5.934 -1.176 1.00 0.00 C ATOM 1019 C LYS A 61 -1.133 -6.933 -1.774 1.00 0.00 C ATOM 1020 O LYS A 61 -0.223 -7.394 -1.098 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.277 -6.659 -0.484 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.241 -5.729 0.252 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.291 -6.499 1.060 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.173 -7.385 0.186 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.204 -8.086 0.980 1.00 0.00 N ATOM 0 H LYS A 61 -3.591 -5.072 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.597 -5.350 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.834 -7.226 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.870 -7.379 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.676 -5.080 0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.743 -5.084 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.789 -7.116 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.918 -5.791 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.655 -6.776 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.553 -8.117 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.783 -8.678 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.744 -8.686 1.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.811 -7.388 1.454 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.313 -7.233 -3.045 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.429 -8.133 -3.782 1.00 0.00 C ATOM 1041 C ASP A 62 0.978 -7.595 -3.843 1.00 0.00 C ATOM 1042 O ASP A 62 1.942 -8.323 -3.560 1.00 0.00 O ATOM 1043 CB ASP A 62 -0.952 -8.383 -5.196 1.00 0.00 C ATOM 1044 CG ASP A 62 0.036 -9.119 -6.056 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.257 -10.322 -5.835 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.608 -8.499 -6.984 1.00 0.00 O ATOM 0 H ASP A 62 -2.080 -6.860 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.413 -9.080 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.878 -8.956 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.195 -7.429 -5.663 1.00 0.00 H new ATOM 1051 N LYS A 63 1.101 -6.312 -4.176 1.00 0.00 N ATOM 1052 CA LYS A 63 2.406 -5.679 -4.253 1.00 0.00 C ATOM 1053 C LYS A 63 3.044 -5.687 -2.882 1.00 0.00 C ATOM 1054 O LYS A 63 4.214 -6.007 -2.738 1.00 0.00 O ATOM 1055 CB LYS A 63 2.313 -4.230 -4.737 1.00 0.00 C ATOM 1056 CG LYS A 63 1.653 -4.023 -6.080 1.00 0.00 C ATOM 1057 CD LYS A 63 1.717 -2.553 -6.556 1.00 0.00 C ATOM 1058 CE LYS A 63 1.133 -1.547 -5.546 1.00 0.00 C ATOM 1059 NZ LYS A 63 2.125 -1.096 -4.508 1.00 0.00 N ATOM 0 H LYS A 63 0.316 -5.698 -4.395 1.00 0.00 H new ATOM 0 HA LYS A 63 3.004 -6.242 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.765 -3.653 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.321 -3.817 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.136 -4.662 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.611 -4.336 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.756 -2.291 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.177 -2.462 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.762 -0.676 -6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.277 -2.001 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.667 -1.080 -3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.930 -1.754 -4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.464 -0.141 -4.743 1.00 0.00 H new ATOM 1073 N LEU A 64 2.233 -5.377 -1.877 1.00 0.00 N ATOM 1074 CA LEU A 64 2.684 -5.314 -0.498 1.00 0.00 C ATOM 1075 C LEU A 64 3.220 -6.668 -0.048 1.00 0.00 C ATOM 1076 O LEU A 64 4.345 -6.778 0.479 1.00 0.00 O ATOM 1077 CB LEU A 64 1.525 -4.903 0.428 1.00 0.00 C ATOM 1078 CG LEU A 64 0.788 -3.600 0.088 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.275 -3.297 1.131 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.753 -2.441 -0.039 1.00 0.00 C ATOM 0 H LEU A 64 1.243 -5.162 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 64 3.479 -4.571 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.795 -5.712 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.916 -4.816 1.442 1.00 0.00 H new ATOM 0 HG LEU A 64 0.298 -3.736 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.786 -2.370 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.997 -4.113 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.195 -3.191 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.201 -1.533 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.283 -2.304 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.471 -2.651 -0.832 1.00 0.00 H new ATOM 1092 N THR A 65 2.431 -7.687 -0.292 1.00 0.00 N ATOM 1093 CA THR A 65 2.751 -9.019 0.096 1.00 0.00 C ATOM 1094 C THR A 65 4.028 -9.519 -0.583 1.00 0.00 C ATOM 1095 O THR A 65 4.930 -10.005 0.087 1.00 0.00 O ATOM 1096 CB THR A 65 1.573 -9.977 -0.194 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.404 -9.505 0.489 1.00 0.00 O ATOM 1098 CG2 THR A 65 1.886 -11.389 0.280 1.00 0.00 C ATOM 0 H THR A 65 1.536 -7.601 -0.774 1.00 0.00 H new ATOM 0 HA THR A 65 2.932 -9.006 1.171 1.00 0.00 H new ATOM 0 HB THR A 65 1.405 -10.000 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.049 -8.719 0.024 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.040 -12.041 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.771 -11.759 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.071 -11.380 1.354 1.00 0.00 H new ATOM 1106 N ARG A 66 4.137 -9.337 -1.877 1.00 0.00 N ATOM 1107 CA ARG A 66 5.271 -9.884 -2.593 1.00 0.00 C ATOM 1108 C ARG A 66 6.557 -9.071 -2.433 1.00 0.00 C ATOM 1109 O ARG A 66 7.653 -9.622 -2.524 1.00 0.00 O ATOM 1110 CB ARG A 66 4.938 -10.144 -4.060 1.00 0.00 C ATOM 1111 CG ARG A 66 3.883 -11.229 -4.249 1.00 0.00 C ATOM 1112 CD ARG A 66 3.639 -11.534 -5.716 1.00 0.00 C ATOM 1113 NE ARG A 66 3.073 -10.389 -6.439 1.00 0.00 N ATOM 1114 CZ ARG A 66 3.681 -9.727 -7.439 1.00 0.00 C ATOM 1115 NH1 ARG A 66 4.871 -10.125 -7.890 1.00 0.00 N ATOM 1116 NH2 ARG A 66 3.079 -8.688 -7.993 1.00 0.00 N ATOM 0 H ARG A 66 3.468 -8.824 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 66 5.480 -10.845 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.585 -9.219 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.847 -10.433 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.201 -12.137 -3.738 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.949 -10.912 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.578 -11.828 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.962 -12.384 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 66 2.145 -10.070 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.328 -10.938 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.325 -9.617 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.160 -8.394 -7.661 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.533 -8.180 -8.752 1.00 0.00 H new ATOM 1130 N PHE A 67 6.436 -7.793 -2.161 1.00 0.00 N ATOM 1131 CA PHE A 67 7.613 -6.953 -2.047 1.00 0.00 C ATOM 1132 C PHE A 67 8.278 -7.071 -0.671 1.00 0.00 C ATOM 1133 O PHE A 67 9.477 -7.368 -0.575 1.00 0.00 O ATOM 1134 CB PHE A 67 7.271 -5.480 -2.355 1.00 0.00 C ATOM 1135 CG PHE A 67 8.464 -4.548 -2.414 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.188 -4.416 -3.587 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.852 -3.802 -1.306 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.272 -3.562 -3.658 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.936 -2.949 -1.372 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.647 -2.828 -2.549 1.00 0.00 C ATOM 0 H PHE A 67 5.548 -7.313 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 67 8.329 -7.310 -2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.746 -5.436 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.581 -5.116 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.902 -4.988 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.299 -3.891 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.826 -3.468 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.227 -2.377 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.495 -2.161 -2.603 1.00 0.00 H new ATOM 1150 N PHE A 68 7.522 -6.851 0.386 1.00 0.00 N ATOM 1151 CA PHE A 68 8.135 -6.781 1.702 1.00 0.00 C ATOM 1152 C PHE A 68 7.625 -7.806 2.705 1.00 0.00 C ATOM 1153 O PHE A 68 8.153 -7.890 3.827 1.00 0.00 O ATOM 1154 CB PHE A 68 8.012 -5.367 2.283 1.00 0.00 C ATOM 1155 CG PHE A 68 6.598 -4.868 2.412 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.807 -5.254 3.481 1.00 0.00 C ATOM 1157 CD2 PHE A 68 6.065 -4.009 1.471 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.524 -4.797 3.606 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.785 -3.545 1.595 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.011 -3.940 2.662 1.00 0.00 C ATOM 0 H PHE A 68 6.511 -6.721 0.366 1.00 0.00 H new ATOM 0 HA PHE A 68 9.183 -7.032 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.482 -5.349 3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.571 -4.678 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.209 -5.925 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.666 -3.701 0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.917 -5.108 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.381 -2.869 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.999 -3.576 2.758 1.00 0.00 H new ATOM 1170 N LEU A 69 6.606 -8.557 2.365 1.00 0.00 N ATOM 1171 CA LEU A 69 6.064 -9.450 3.354 1.00 0.00 C ATOM 1172 C LEU A 69 6.490 -10.894 3.111 1.00 0.00 C ATOM 1173 O LEU A 69 7.404 -11.369 3.775 1.00 0.00 O ATOM 1174 CB LEU A 69 4.532 -9.326 3.396 1.00 0.00 C ATOM 1175 CG LEU A 69 3.803 -10.092 4.509 1.00 0.00 C ATOM 1176 CD1 LEU A 69 4.212 -9.572 5.878 1.00 0.00 C ATOM 1177 CD2 LEU A 69 2.295 -9.980 4.329 1.00 0.00 C ATOM 0 H LEU A 69 6.152 -8.570 1.451 1.00 0.00 H new ATOM 0 HA LEU A 69 6.467 -9.159 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.280 -8.270 3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.138 -9.664 2.438 1.00 0.00 H new ATOM 0 HG LEU A 69 4.086 -11.143 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.683 -10.129 6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.287 -9.699 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.960 -8.514 5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.792 -10.528 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.001 -8.931 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.012 -10.400 3.364 1.00 0.00 H new