USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 151:sc= 0 (180deg=-0.311) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0746) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot -105:sc= 1.43 USER MOD Single : A 8 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.32) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -156:sc= -0.609 USER MOD Single : A 15 SER OG : rot 105:sc= -4.24! USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0.105 (180deg=0.102) USER MOD Single : A 23 SER OG : rot -78:sc= 0.478 USER MOD Single : A 24 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.0033) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.0757 (180deg=-0.429) USER MOD Single : A 30 ASN : amide:sc= -0.0073 K(o=-0.0073,f=-1.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.427 (180deg=-1.37!) USER MOD Single : A 51 GLN : amide:sc= -1.35 K(o=-1.3,f=-2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= -1.14 (180deg=-1.24) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 70:sc= 1.17 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.117 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.983 5.109 -14.515 1.00 0.00 N ATOM 2 CA MET A 1 2.740 4.401 -13.450 1.00 0.00 C ATOM 3 C MET A 1 3.496 5.387 -12.564 1.00 0.00 C ATOM 4 O MET A 1 4.625 5.771 -12.868 1.00 0.00 O ATOM 5 CB MET A 1 3.718 3.428 -14.115 1.00 0.00 C ATOM 6 CG MET A 1 3.508 1.979 -13.704 1.00 0.00 C ATOM 7 SD MET A 1 3.650 0.835 -15.091 1.00 0.00 S ATOM 8 CE MET A 1 1.994 0.916 -15.768 1.00 0.00 C ATOM 0 H1 MET A 1 1.336 4.442 -14.983 1.00 0.00 H new ATOM 0 H2 MET A 1 1.435 5.886 -14.093 1.00 0.00 H new ATOM 0 H3 MET A 1 2.648 5.495 -15.215 1.00 0.00 H new ATOM 0 HA MET A 1 2.042 3.857 -12.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.618 3.508 -15.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.737 3.724 -13.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.240 1.712 -12.942 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.522 1.873 -13.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.029 0.720 -16.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.366 0.169 -15.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.578 1.908 -15.594 1.00 0.00 H new ATOM 20 N ARG A 2 2.863 5.794 -11.469 1.00 0.00 N ATOM 21 CA ARG A 2 3.476 6.738 -10.540 1.00 0.00 C ATOM 22 C ARG A 2 4.188 6.017 -9.398 1.00 0.00 C ATOM 23 O ARG A 2 4.897 6.639 -8.606 1.00 0.00 O ATOM 24 CB ARG A 2 2.421 7.691 -9.978 1.00 0.00 C ATOM 25 CG ARG A 2 2.282 8.981 -10.768 1.00 0.00 C ATOM 26 CD ARG A 2 3.149 10.087 -10.188 1.00 0.00 C ATOM 27 NE ARG A 2 2.638 11.415 -10.519 1.00 0.00 N ATOM 28 CZ ARG A 2 3.309 12.544 -10.301 1.00 0.00 C ATOM 29 NH1 ARG A 2 4.517 12.510 -9.752 1.00 0.00 N ATOM 30 NH2 ARG A 2 2.770 13.709 -10.633 1.00 0.00 N ATOM 0 H ARG A 2 1.928 5.486 -11.203 1.00 0.00 H new ATOM 0 HA ARG A 2 4.220 7.311 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.458 7.182 -9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.675 7.933 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.562 8.805 -11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.239 9.298 -10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.199 9.978 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.166 9.986 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 2 1.712 11.481 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.935 11.616 -9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.027 13.378 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.842 13.740 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.283 14.574 -10.466 1.00 0.00 H new ATOM 44 N ASN A 3 3.998 4.706 -9.321 1.00 0.00 N ATOM 45 CA ASN A 3 4.622 3.895 -8.280 1.00 0.00 C ATOM 46 C ASN A 3 4.308 4.443 -6.890 1.00 0.00 C ATOM 47 O ASN A 3 4.888 5.439 -6.458 1.00 0.00 O ATOM 48 CB ASN A 3 6.135 3.839 -8.489 1.00 0.00 C ATOM 49 CG ASN A 3 6.509 3.427 -9.899 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.749 4.271 -10.762 1.00 0.00 O ATOM 51 ND2 ASN A 3 6.560 2.122 -10.141 1.00 0.00 N ATOM 0 H ASN A 3 3.414 4.178 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 3 4.212 2.887 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.565 4.817 -8.273 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.571 3.135 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.806 1.785 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.353 1.457 -9.396 1.00 0.00 H new ATOM 58 N ILE A 4 3.386 3.785 -6.196 1.00 0.00 N ATOM 59 CA ILE A 4 2.996 4.205 -4.856 1.00 0.00 C ATOM 60 C ILE A 4 3.785 3.452 -3.790 1.00 0.00 C ATOM 61 O ILE A 4 4.319 2.372 -4.045 1.00 0.00 O ATOM 62 CB ILE A 4 1.489 3.984 -4.612 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.670 4.580 -5.759 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.072 4.596 -3.283 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.577 3.785 -6.085 1.00 0.00 C ATOM 0 H ILE A 4 2.895 2.959 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 4 3.217 5.270 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 4 1.297 2.912 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.384 5.600 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.296 4.641 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.006 4.432 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.635 4.129 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.276 5.667 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.109 4.264 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.297 2.772 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.223 3.746 -5.208 1.00 0.00 H new ATOM 77 N TYR A 5 3.854 4.029 -2.595 1.00 0.00 N ATOM 78 CA TYR A 5 4.578 3.414 -1.488 1.00 0.00 C ATOM 79 C TYR A 5 3.811 3.586 -0.181 1.00 0.00 C ATOM 80 O TYR A 5 3.182 4.619 0.049 1.00 0.00 O ATOM 81 CB TYR A 5 5.973 4.026 -1.359 1.00 0.00 C ATOM 82 CG TYR A 5 6.903 3.235 -0.466 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.689 2.212 -0.981 1.00 0.00 C ATOM 84 CD2 TYR A 5 6.993 3.512 0.893 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.539 1.488 -0.168 1.00 0.00 C ATOM 86 CE2 TYR A 5 7.841 2.791 1.711 1.00 0.00 C ATOM 87 CZ TYR A 5 8.611 1.781 1.177 1.00 0.00 C ATOM 88 OH TYR A 5 9.456 1.061 1.989 1.00 0.00 O ATOM 0 H TYR A 5 3.417 4.922 -2.368 1.00 0.00 H new ATOM 0 HA TYR A 5 4.677 2.349 -1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.418 4.107 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.881 5.039 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.635 1.979 -2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.391 4.303 1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.144 0.696 -0.584 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.900 3.018 2.765 1.00 0.00 H new ATOM 0 HH TYR A 5 8.933 0.437 2.534 1.00 0.00 H new ATOM 98 N VAL A 6 3.865 2.569 0.673 1.00 0.00 N ATOM 99 CA VAL A 6 3.172 2.614 1.954 1.00 0.00 C ATOM 100 C VAL A 6 3.993 1.944 3.051 1.00 0.00 C ATOM 101 O VAL A 6 4.713 0.977 2.800 1.00 0.00 O ATOM 102 CB VAL A 6 1.791 1.933 1.867 1.00 0.00 C ATOM 103 CG1 VAL A 6 1.940 0.468 1.483 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.038 2.074 3.182 1.00 0.00 C ATOM 0 H VAL A 6 4.380 1.706 0.501 1.00 0.00 H new ATOM 0 HA VAL A 6 3.035 3.666 2.204 1.00 0.00 H new ATOM 0 HB VAL A 6 1.211 2.431 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.955 0.005 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.432 0.394 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.540 -0.046 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.066 1.587 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.612 1.606 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.896 3.131 3.408 1.00 0.00 H new ATOM 114 N GLY A 7 3.878 2.465 4.269 1.00 0.00 N ATOM 115 CA GLY A 7 4.611 1.907 5.390 1.00 0.00 C ATOM 116 C GLY A 7 3.720 1.648 6.589 1.00 0.00 C ATOM 117 O GLY A 7 2.502 1.807 6.511 1.00 0.00 O ATOM 0 H GLY A 7 3.289 3.265 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.084 0.974 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.410 2.591 5.675 1.00 0.00 H new ATOM 121 N ASN A 8 4.327 1.245 7.702 1.00 0.00 N ATOM 122 CA ASN A 8 3.579 0.963 8.922 1.00 0.00 C ATOM 123 C ASN A 8 2.493 -0.079 8.669 1.00 0.00 C ATOM 124 O ASN A 8 1.425 -0.041 9.280 1.00 0.00 O ATOM 125 CB ASN A 8 2.953 2.248 9.470 1.00 0.00 C ATOM 126 CG ASN A 8 3.274 2.469 10.935 1.00 0.00 C ATOM 127 OD1 ASN A 8 4.419 2.320 11.361 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.261 2.825 11.717 1.00 0.00 N ATOM 0 H ASN A 8 5.334 1.107 7.784 1.00 0.00 H new ATOM 0 HA ASN A 8 4.275 0.562 9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.311 3.099 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.872 2.206 9.340 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.417 2.986 12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.327 2.937 11.322 1.00 0.00 H new ATOM 135 N LEU A 9 2.774 -1.010 7.762 1.00 0.00 N ATOM 136 CA LEU A 9 1.822 -2.061 7.424 1.00 0.00 C ATOM 137 C LEU A 9 2.005 -3.278 8.325 1.00 0.00 C ATOM 138 O LEU A 9 2.896 -4.098 8.105 1.00 0.00 O ATOM 139 CB LEU A 9 1.982 -2.472 5.959 1.00 0.00 C ATOM 140 CG LEU A 9 1.625 -1.389 4.939 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.733 -1.935 3.524 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.225 -0.853 5.199 1.00 0.00 C ATOM 0 H LEU A 9 3.654 -1.057 7.248 1.00 0.00 H new ATOM 0 HA LEU A 9 0.818 -1.666 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.015 -2.778 5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.357 -3.345 5.772 1.00 0.00 H new ATOM 0 HG LEU A 9 2.333 -0.567 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.476 -1.152 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.753 -2.271 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.047 -2.774 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.012 -0.084 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.497 -1.666 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.180 -0.425 6.200 1.00 0.00 H new ATOM 154 N VAL A 10 1.153 -3.391 9.339 1.00 0.00 N ATOM 155 CA VAL A 10 1.219 -4.510 10.271 1.00 0.00 C ATOM 156 C VAL A 10 0.947 -5.831 9.548 1.00 0.00 C ATOM 157 O VAL A 10 0.657 -5.837 8.351 1.00 0.00 O ATOM 158 CB VAL A 10 0.217 -4.319 11.437 1.00 0.00 C ATOM 159 CG1 VAL A 10 -1.192 -4.729 11.034 1.00 0.00 C ATOM 160 CG2 VAL A 10 0.672 -5.085 12.670 1.00 0.00 C ATOM 0 H VAL A 10 0.409 -2.721 9.536 1.00 0.00 H new ATOM 0 HA VAL A 10 2.226 -4.542 10.687 1.00 0.00 H new ATOM 0 HB VAL A 10 0.193 -3.257 11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.869 -4.582 11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.522 -4.119 10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.196 -5.780 10.744 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.046 -4.937 13.476 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.739 -6.147 12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.650 -4.721 12.984 1.00 0.00 H new ATOM 170 N TYR A 11 1.048 -6.945 10.273 1.00 0.00 N ATOM 171 CA TYR A 11 0.818 -8.271 9.694 1.00 0.00 C ATOM 172 C TYR A 11 -0.384 -8.267 8.750 1.00 0.00 C ATOM 173 O TYR A 11 -0.392 -8.963 7.735 1.00 0.00 O ATOM 174 CB TYR A 11 0.601 -9.306 10.800 1.00 0.00 C ATOM 175 CG TYR A 11 1.590 -9.199 11.939 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.955 -9.322 11.714 1.00 0.00 C ATOM 177 CD2 TYR A 11 1.158 -8.977 13.241 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.862 -9.226 12.753 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.058 -8.879 14.285 1.00 0.00 C ATOM 180 CZ TYR A 11 3.408 -9.005 14.036 1.00 0.00 C ATOM 181 OH TYR A 11 4.307 -8.908 15.073 1.00 0.00 O ATOM 0 H TYR A 11 1.288 -6.957 11.264 1.00 0.00 H new ATOM 0 HA TYR A 11 1.705 -8.537 9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.408 -9.195 11.196 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.665 -10.305 10.368 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.314 -9.496 10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.101 -8.879 13.440 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.920 -9.324 12.561 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.706 -8.705 15.291 1.00 0.00 H new ATOM 0 HH TYR A 11 3.824 -8.750 15.911 1.00 0.00 H new ATOM 191 N SER A 12 -1.394 -7.477 9.095 1.00 0.00 N ATOM 192 CA SER A 12 -2.601 -7.376 8.282 1.00 0.00 C ATOM 193 C SER A 12 -3.322 -6.059 8.554 1.00 0.00 C ATOM 194 O SER A 12 -4.418 -6.042 9.116 1.00 0.00 O ATOM 195 CB SER A 12 -3.533 -8.555 8.565 1.00 0.00 C ATOM 196 OG SER A 12 -3.413 -8.989 9.909 1.00 0.00 O ATOM 0 H SER A 12 -1.401 -6.896 9.933 1.00 0.00 H new ATOM 0 HA SER A 12 -2.311 -7.402 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.564 -8.264 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.297 -9.379 7.891 1.00 0.00 H new ATOM 0 HG SER A 12 -4.020 -9.742 10.065 1.00 0.00 H new ATOM 202 N ALA A 13 -2.695 -4.957 8.159 1.00 0.00 N ATOM 203 CA ALA A 13 -3.268 -3.632 8.367 1.00 0.00 C ATOM 204 C ALA A 13 -4.460 -3.390 7.446 1.00 0.00 C ATOM 205 O ALA A 13 -5.591 -3.245 7.908 1.00 0.00 O ATOM 206 CB ALA A 13 -2.210 -2.561 8.154 1.00 0.00 C ATOM 0 H ALA A 13 -1.788 -4.955 7.692 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.625 -3.579 9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.651 -1.577 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.394 -2.711 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.826 -2.627 7.136 1.00 0.00 H new ATOM 212 N THR A 14 -4.198 -3.344 6.143 1.00 0.00 N ATOM 213 CA THR A 14 -5.256 -3.114 5.161 1.00 0.00 C ATOM 214 C THR A 14 -4.710 -3.126 3.733 1.00 0.00 C ATOM 215 O THR A 14 -5.447 -3.398 2.785 1.00 0.00 O ATOM 216 CB THR A 14 -5.960 -1.781 5.436 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.226 -1.006 6.366 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.362 -1.947 5.981 1.00 0.00 C ATOM 0 H THR A 14 -3.267 -3.462 5.743 1.00 0.00 H new ATOM 0 HA THR A 14 -5.974 -3.928 5.257 1.00 0.00 H new ATOM 0 HB THR A 14 -6.019 -1.282 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.828 -0.377 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.804 -0.966 6.154 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.969 -2.497 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.324 -2.498 6.921 1.00 0.00 H new ATOM 226 N SER A 15 -3.422 -2.823 3.579 1.00 0.00 N ATOM 227 CA SER A 15 -2.792 -2.796 2.260 1.00 0.00 C ATOM 228 C SER A 15 -3.164 -4.026 1.437 1.00 0.00 C ATOM 229 O SER A 15 -3.721 -3.908 0.345 1.00 0.00 O ATOM 230 CB SER A 15 -1.272 -2.699 2.397 1.00 0.00 C ATOM 231 OG SER A 15 -0.839 -3.209 3.647 1.00 0.00 O ATOM 0 H SER A 15 -2.795 -2.593 4.350 1.00 0.00 H new ATOM 0 HA SER A 15 -3.162 -1.915 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.795 -3.254 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.960 -1.659 2.297 1.00 0.00 H new ATOM 0 HG SER A 15 -0.430 -4.090 3.517 1.00 0.00 H new ATOM 237 N GLU A 16 -2.863 -5.205 1.968 1.00 0.00 N ATOM 238 CA GLU A 16 -3.179 -6.450 1.278 1.00 0.00 C ATOM 239 C GLU A 16 -4.691 -6.649 1.182 1.00 0.00 C ATOM 240 O GLU A 16 -5.167 -7.502 0.434 1.00 0.00 O ATOM 241 CB GLU A 16 -2.541 -7.636 2.004 1.00 0.00 C ATOM 242 CG GLU A 16 -3.077 -7.849 3.411 1.00 0.00 C ATOM 243 CD GLU A 16 -2.946 -9.287 3.873 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.005 -10.193 3.016 1.00 0.00 O ATOM 245 OE2 GLU A 16 -2.784 -9.506 5.092 1.00 0.00 O ATOM 0 H GLU A 16 -2.403 -5.325 2.870 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.773 -6.391 0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.708 -8.541 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.463 -7.483 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.541 -7.199 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.126 -7.554 3.445 1.00 0.00 H new ATOM 252 N GLN A 17 -5.441 -5.857 1.944 1.00 0.00 N ATOM 253 CA GLN A 17 -6.896 -5.946 1.947 1.00 0.00 C ATOM 254 C GLN A 17 -7.511 -5.014 0.904 1.00 0.00 C ATOM 255 O GLN A 17 -8.599 -5.273 0.393 1.00 0.00 O ATOM 256 CB GLN A 17 -7.443 -5.610 3.336 1.00 0.00 C ATOM 257 CG GLN A 17 -8.959 -5.674 3.428 1.00 0.00 C ATOM 258 CD GLN A 17 -9.445 -5.938 4.839 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.376 -5.066 5.705 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.940 -7.147 5.078 1.00 0.00 N ATOM 0 H GLN A 17 -5.062 -5.145 2.569 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.170 -6.969 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.014 -6.301 4.062 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.113 -4.609 3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.381 -4.734 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.327 -6.459 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.978 -7.839 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.282 -7.383 6.009 1.00 0.00 H new ATOM 269 N VAL A 18 -6.813 -3.922 0.604 1.00 0.00 N ATOM 270 CA VAL A 18 -7.300 -2.948 -0.368 1.00 0.00 C ATOM 271 C VAL A 18 -6.890 -3.316 -1.792 1.00 0.00 C ATOM 272 O VAL A 18 -7.541 -2.912 -2.755 1.00 0.00 O ATOM 273 CB VAL A 18 -6.787 -1.529 -0.046 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.269 -1.478 -0.114 1.00 0.00 C ATOM 275 CG2 VAL A 18 -7.408 -0.509 -0.989 1.00 0.00 C ATOM 0 H VAL A 18 -5.911 -3.690 1.019 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.388 -2.961 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.087 -1.278 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.928 -0.469 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.849 -2.177 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.940 -1.752 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.034 0.486 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.143 -0.755 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.492 -0.526 -0.880 1.00 0.00 H new ATOM 285 N LYS A 19 -5.810 -4.081 -1.922 1.00 0.00 N ATOM 286 CA LYS A 19 -5.322 -4.494 -3.236 1.00 0.00 C ATOM 287 C LYS A 19 -6.439 -5.121 -4.067 1.00 0.00 C ATOM 288 O LYS A 19 -6.413 -5.070 -5.297 1.00 0.00 O ATOM 289 CB LYS A 19 -4.163 -5.480 -3.092 1.00 0.00 C ATOM 290 CG LYS A 19 -4.486 -6.674 -2.211 1.00 0.00 C ATOM 291 CD LYS A 19 -3.879 -7.955 -2.761 1.00 0.00 C ATOM 292 CE LYS A 19 -4.846 -9.123 -2.651 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.559 -9.973 -1.462 1.00 0.00 N ATOM 0 H LYS A 19 -5.257 -4.427 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.968 -3.603 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.875 -5.836 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.301 -4.957 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.110 -6.496 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.567 -6.787 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.602 -7.808 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.963 -8.187 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.866 -8.745 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.786 -9.730 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.208 -10.786 -1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.578 -10.314 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.691 -9.414 -0.595 1.00 0.00 H new ATOM 307 N GLU A 20 -7.419 -5.709 -3.388 1.00 0.00 N ATOM 308 CA GLU A 20 -8.544 -6.341 -4.068 1.00 0.00 C ATOM 309 C GLU A 20 -9.451 -5.291 -4.704 1.00 0.00 C ATOM 310 O GLU A 20 -10.045 -5.524 -5.756 1.00 0.00 O ATOM 311 CB GLU A 20 -9.346 -7.199 -3.087 1.00 0.00 C ATOM 312 CG GLU A 20 -9.707 -6.476 -1.800 1.00 0.00 C ATOM 313 CD GLU A 20 -11.195 -6.510 -1.507 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.745 -7.620 -1.356 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.809 -5.425 -1.429 1.00 0.00 O ATOM 0 H GLU A 20 -7.457 -5.761 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.148 -6.981 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.261 -7.534 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.770 -8.092 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.167 -6.930 -0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.377 -5.439 -1.866 1.00 0.00 H new ATOM 322 N LEU A 21 -9.549 -4.133 -4.058 1.00 0.00 N ATOM 323 CA LEU A 21 -10.380 -3.045 -4.560 1.00 0.00 C ATOM 324 C LEU A 21 -9.587 -2.150 -5.507 1.00 0.00 C ATOM 325 O LEU A 21 -10.141 -1.568 -6.438 1.00 0.00 O ATOM 326 CB LEU A 21 -10.930 -2.216 -3.396 1.00 0.00 C ATOM 327 CG LEU A 21 -11.863 -1.074 -3.799 1.00 0.00 C ATOM 328 CD1 LEU A 21 -12.947 -0.876 -2.751 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.074 0.210 -4.004 1.00 0.00 C ATOM 0 H LEU A 21 -9.063 -3.924 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.213 -3.481 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.466 -2.880 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.091 -1.800 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.343 -1.336 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.602 -0.059 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.530 -1.792 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.487 -0.635 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.753 1.013 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.567 0.477 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.335 0.061 -4.792 1.00 0.00 H new ATOM 341 N PHE A 22 -8.284 -2.047 -5.262 1.00 0.00 N ATOM 342 CA PHE A 22 -7.411 -1.225 -6.092 1.00 0.00 C ATOM 343 C PHE A 22 -7.460 -1.674 -7.550 1.00 0.00 C ATOM 344 O PHE A 22 -7.206 -0.884 -8.460 1.00 0.00 O ATOM 345 CB PHE A 22 -5.972 -1.291 -5.571 1.00 0.00 C ATOM 346 CG PHE A 22 -5.534 -0.045 -4.855 1.00 0.00 C ATOM 347 CD1 PHE A 22 -5.802 1.206 -5.388 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.856 -0.126 -3.650 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.400 2.353 -4.731 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.452 1.018 -2.989 1.00 0.00 C ATOM 351 CZ PHE A 22 -4.724 2.260 -3.530 1.00 0.00 C ATOM 0 H PHE A 22 -7.810 -2.523 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.764 -0.195 -6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.878 -2.141 -4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.299 -1.474 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.330 1.285 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.641 -1.094 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.614 3.322 -5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.924 0.942 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.409 3.156 -3.015 1.00 0.00 H new ATOM 361 N SER A 23 -7.783 -2.945 -7.764 1.00 0.00 N ATOM 362 CA SER A 23 -7.864 -3.498 -9.112 1.00 0.00 C ATOM 363 C SER A 23 -9.252 -3.291 -9.712 1.00 0.00 C ATOM 364 O SER A 23 -9.413 -3.273 -10.932 1.00 0.00 O ATOM 365 CB SER A 23 -7.522 -4.988 -9.092 1.00 0.00 C ATOM 366 OG SER A 23 -7.826 -5.566 -7.835 1.00 0.00 O ATOM 0 H SER A 23 -7.993 -3.612 -7.021 1.00 0.00 H new ATOM 0 HA SER A 23 -7.142 -2.971 -9.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.078 -5.502 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.463 -5.124 -9.311 1.00 0.00 H new ATOM 0 HG SER A 23 -7.126 -5.332 -7.190 1.00 0.00 H new ATOM 372 N GLN A 24 -10.251 -3.140 -8.849 1.00 0.00 N ATOM 373 CA GLN A 24 -11.625 -2.940 -9.299 1.00 0.00 C ATOM 374 C GLN A 24 -11.929 -1.459 -9.508 1.00 0.00 C ATOM 375 O GLN A 24 -12.825 -1.105 -10.275 1.00 0.00 O ATOM 376 CB GLN A 24 -12.606 -3.535 -8.287 1.00 0.00 C ATOM 377 CG GLN A 24 -12.875 -5.015 -8.498 1.00 0.00 C ATOM 378 CD GLN A 24 -13.850 -5.275 -9.631 1.00 0.00 C ATOM 379 OE1 GLN A 24 -13.554 -6.028 -10.558 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.019 -4.652 -9.558 1.00 0.00 N ATOM 0 H GLN A 24 -10.136 -3.152 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.741 -3.450 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.213 -3.386 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.549 -2.991 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.935 -5.525 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.271 -5.443 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.221 -4.037 -8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.716 -4.789 -10.290 1.00 0.00 H new ATOM 389 N PHE A 25 -11.185 -0.597 -8.822 1.00 0.00 N ATOM 390 CA PHE A 25 -11.388 0.844 -8.937 1.00 0.00 C ATOM 391 C PHE A 25 -10.209 1.514 -9.638 1.00 0.00 C ATOM 392 O PHE A 25 -10.375 2.530 -10.314 1.00 0.00 O ATOM 393 CB PHE A 25 -11.589 1.461 -7.550 1.00 0.00 C ATOM 394 CG PHE A 25 -13.027 1.746 -7.223 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.826 0.773 -6.644 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.580 2.987 -7.495 1.00 0.00 C ATOM 397 CE1 PHE A 25 -15.149 1.032 -6.340 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.903 3.252 -7.194 1.00 0.00 C ATOM 399 CZ PHE A 25 -15.688 2.273 -6.616 1.00 0.00 C ATOM 0 H PHE A 25 -10.438 -0.869 -8.183 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.282 1.010 -9.539 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.181 0.786 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.020 2.389 -7.488 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.410 -0.200 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.971 3.756 -7.947 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.760 0.265 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.323 4.223 -7.410 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.722 2.478 -6.380 1.00 0.00 H new ATOM 409 N GLY A 26 -9.020 0.945 -9.469 1.00 0.00 N ATOM 410 CA GLY A 26 -7.835 1.511 -10.090 1.00 0.00 C ATOM 411 C GLY A 26 -7.181 0.573 -11.088 1.00 0.00 C ATOM 412 O GLY A 26 -6.380 1.003 -11.917 1.00 0.00 O ATOM 0 H GLY A 26 -8.855 0.105 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.104 2.439 -10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.113 1.768 -9.315 1.00 0.00 H new ATOM 416 N LYS A 27 -7.517 -0.711 -11.010 1.00 0.00 N ATOM 417 CA LYS A 27 -6.948 -1.703 -11.915 1.00 0.00 C ATOM 418 C LYS A 27 -5.434 -1.788 -11.740 1.00 0.00 C ATOM 419 O LYS A 27 -4.686 -1.839 -12.716 1.00 0.00 O ATOM 420 CB LYS A 27 -7.290 -1.357 -13.367 1.00 0.00 C ATOM 421 CG LYS A 27 -6.987 -2.478 -14.346 1.00 0.00 C ATOM 422 CD LYS A 27 -7.583 -2.197 -15.717 1.00 0.00 C ATOM 423 CE LYS A 27 -8.894 -2.940 -15.918 1.00 0.00 C ATOM 424 NZ LYS A 27 -8.697 -4.415 -15.948 1.00 0.00 N ATOM 0 H LYS A 27 -8.179 -1.088 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.380 -2.674 -11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.348 -1.105 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.732 -0.468 -13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.908 -2.602 -14.436 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.385 -3.417 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.750 -1.126 -15.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.874 -2.492 -16.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.584 -2.682 -15.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.355 -2.616 -16.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.461 -4.856 -16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.781 -4.634 -16.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.712 -4.787 -14.977 1.00 0.00 H new ATOM 438 N VAL A 28 -4.990 -1.799 -10.484 1.00 0.00 N ATOM 439 CA VAL A 28 -3.565 -1.873 -10.169 1.00 0.00 C ATOM 440 C VAL A 28 -2.865 -2.950 -10.996 1.00 0.00 C ATOM 441 O VAL A 28 -3.404 -4.036 -11.206 1.00 0.00 O ATOM 442 CB VAL A 28 -3.341 -2.159 -8.670 1.00 0.00 C ATOM 443 CG1 VAL A 28 -3.936 -3.506 -8.284 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.859 -2.106 -8.327 1.00 0.00 C ATOM 0 H VAL A 28 -5.599 -1.757 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.135 -0.903 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.851 -1.385 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.767 -3.688 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.007 -3.502 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.461 -4.294 -8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.724 -2.311 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.323 -2.854 -8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.467 -1.116 -8.558 1.00 0.00 H new ATOM 454 N PHE A 29 -1.660 -2.637 -11.461 1.00 0.00 N ATOM 455 CA PHE A 29 -0.881 -3.574 -12.263 1.00 0.00 C ATOM 456 C PHE A 29 -0.011 -4.456 -11.374 1.00 0.00 C ATOM 457 O PHE A 29 0.146 -5.650 -11.632 1.00 0.00 O ATOM 458 CB PHE A 29 -0.004 -2.816 -13.261 1.00 0.00 C ATOM 459 CG PHE A 29 -0.772 -1.857 -14.127 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.160 -0.621 -13.637 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.104 -2.195 -15.429 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.867 0.263 -14.432 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.810 -1.315 -16.228 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.192 -0.085 -15.728 1.00 0.00 C ATOM 0 H PHE A 29 -1.201 -1.741 -11.296 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.576 -4.211 -12.810 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.762 -2.266 -12.715 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.512 -3.534 -13.898 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.908 -0.345 -12.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.808 -3.156 -15.824 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.164 1.224 -14.039 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.063 -1.589 -17.242 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.744 0.604 -16.350 1.00 0.00 H new ATOM 474 N ASN A 30 0.553 -3.861 -10.329 1.00 0.00 N ATOM 475 CA ASN A 30 1.407 -4.593 -9.402 1.00 0.00 C ATOM 476 C ASN A 30 1.134 -4.174 -7.963 1.00 0.00 C ATOM 477 O ASN A 30 0.765 -3.030 -7.698 1.00 0.00 O ATOM 478 CB ASN A 30 2.881 -4.362 -9.743 1.00 0.00 C ATOM 479 CG ASN A 30 3.421 -5.399 -10.707 1.00 0.00 C ATOM 480 OD1 ASN A 30 2.913 -5.554 -11.818 1.00 0.00 O ATOM 481 ND2 ASN A 30 4.457 -6.116 -10.287 1.00 0.00 N ATOM 0 H ASN A 30 0.434 -2.874 -10.103 1.00 0.00 H new ATOM 0 HA ASN A 30 1.181 -5.655 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.999 -3.369 -10.178 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.470 -4.381 -8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.863 -6.829 -10.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.846 -5.954 -9.358 1.00 0.00 H new ATOM 488 N VAL A 31 1.317 -5.107 -7.036 1.00 0.00 N ATOM 489 CA VAL A 31 1.089 -4.836 -5.622 1.00 0.00 C ATOM 490 C VAL A 31 1.554 -6.004 -4.758 1.00 0.00 C ATOM 491 O VAL A 31 1.069 -7.126 -4.901 1.00 0.00 O ATOM 492 CB VAL A 31 -0.399 -4.554 -5.337 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.249 -5.772 -5.665 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.597 -4.132 -3.888 1.00 0.00 C ATOM 0 H VAL A 31 1.623 -6.059 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 31 1.671 -3.949 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.721 -3.733 -5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.296 -5.552 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.134 -6.023 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.927 -6.615 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.654 -3.937 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.256 -4.929 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.023 -3.227 -3.691 1.00 0.00 H new ATOM 504 N LYS A 32 2.496 -5.733 -3.862 1.00 0.00 N ATOM 505 CA LYS A 32 3.025 -6.763 -2.974 1.00 0.00 C ATOM 506 C LYS A 32 3.632 -6.143 -1.721 1.00 0.00 C ATOM 507 O LYS A 32 3.846 -4.932 -1.654 1.00 0.00 O ATOM 508 CB LYS A 32 4.076 -7.602 -3.703 1.00 0.00 C ATOM 509 CG LYS A 32 4.108 -9.054 -3.257 1.00 0.00 C ATOM 510 CD LYS A 32 4.664 -9.959 -4.344 1.00 0.00 C ATOM 511 CE LYS A 32 5.143 -11.284 -3.775 1.00 0.00 C ATOM 512 NZ LYS A 32 6.623 -11.316 -3.614 1.00 0.00 N ATOM 0 H LYS A 32 2.909 -4.810 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 32 2.199 -7.408 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.881 -7.564 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.059 -7.159 -3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.718 -9.146 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.101 -9.377 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.896 -10.141 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.491 -9.458 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.669 -11.457 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.832 -12.095 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.910 -12.236 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.076 -11.176 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.918 -10.558 -2.966 1.00 0.00 H new ATOM 526 N LEU A 33 3.906 -6.983 -0.729 1.00 0.00 N ATOM 527 CA LEU A 33 4.488 -6.520 0.526 1.00 0.00 C ATOM 528 C LEU A 33 5.723 -7.342 0.883 1.00 0.00 C ATOM 529 O LEU A 33 5.905 -8.452 0.384 1.00 0.00 O ATOM 530 CB LEU A 33 3.457 -6.613 1.654 1.00 0.00 C ATOM 531 CG LEU A 33 2.037 -6.184 1.273 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.019 -7.198 1.771 1.00 0.00 C ATOM 533 CD2 LEU A 33 1.730 -4.802 1.831 1.00 0.00 C ATOM 0 H LEU A 33 3.735 -7.988 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 33 4.787 -5.479 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.425 -7.642 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.795 -5.996 2.486 1.00 0.00 H new ATOM 0 HG LEU A 33 1.972 -6.139 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.016 -6.875 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.225 -8.170 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.084 -7.276 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.717 -4.513 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.814 -4.821 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.439 -4.080 1.425 1.00 0.00 H new ATOM 545 N ILE A 34 6.567 -6.792 1.750 1.00 0.00 N ATOM 546 CA ILE A 34 7.781 -7.486 2.168 1.00 0.00 C ATOM 547 C ILE A 34 7.551 -8.262 3.460 1.00 0.00 C ATOM 548 O ILE A 34 6.512 -8.118 4.104 1.00 0.00 O ATOM 549 CB ILE A 34 8.965 -6.514 2.367 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.503 -5.212 3.031 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.635 -6.222 1.033 1.00 0.00 C ATOM 552 CD1 ILE A 34 7.710 -5.424 4.302 1.00 0.00 C ATOM 0 H ILE A 34 6.435 -5.874 2.175 1.00 0.00 H new ATOM 0 HA ILE A 34 8.033 -8.179 1.365 1.00 0.00 H new ATOM 0 HB ILE A 34 9.689 -6.990 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.376 -4.600 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.894 -4.650 2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.468 -5.536 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.006 -7.151 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.912 -5.769 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.418 -4.458 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.817 -6.009 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.323 -5.958 5.028 1.00 0.00 H new ATOM 564 N TYR A 35 8.524 -9.088 3.831 1.00 0.00 N ATOM 565 CA TYR A 35 8.425 -9.888 5.046 1.00 0.00 C ATOM 566 C TYR A 35 9.755 -9.915 5.793 1.00 0.00 C ATOM 567 O TYR A 35 10.705 -9.229 5.415 1.00 0.00 O ATOM 568 CB TYR A 35 7.989 -11.314 4.706 1.00 0.00 C ATOM 569 CG TYR A 35 6.759 -11.379 3.828 1.00 0.00 C ATOM 570 CD1 TYR A 35 5.488 -11.242 4.369 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.873 -11.575 2.457 1.00 0.00 C ATOM 572 CE1 TYR A 35 4.362 -11.301 3.569 1.00 0.00 C ATOM 573 CE2 TYR A 35 5.751 -11.634 1.651 1.00 0.00 C ATOM 574 CZ TYR A 35 4.500 -11.497 2.211 1.00 0.00 C ATOM 575 OH TYR A 35 3.381 -11.555 1.411 1.00 0.00 O ATOM 0 H TYR A 35 9.390 -9.221 3.308 1.00 0.00 H new ATOM 0 HA TYR A 35 7.677 -9.429 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.810 -11.826 4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.793 -11.855 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.377 -11.087 5.432 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.852 -11.683 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.380 -11.194 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.855 -11.787 0.587 1.00 0.00 H new ATOM 0 HH TYR A 35 3.652 -11.697 0.480 1.00 0.00 H new ATOM 585 N ASP A 36 9.815 -10.712 6.854 1.00 0.00 N ATOM 586 CA ASP A 36 11.027 -10.829 7.655 1.00 0.00 C ATOM 587 C ASP A 36 11.784 -12.108 7.313 1.00 0.00 C ATOM 588 O ASP A 36 11.371 -12.871 6.439 1.00 0.00 O ATOM 589 CB ASP A 36 10.683 -10.809 9.146 1.00 0.00 C ATOM 590 CG ASP A 36 10.311 -9.423 9.634 1.00 0.00 C ATOM 591 OD1 ASP A 36 9.128 -9.046 9.509 1.00 0.00 O ATOM 592 OD2 ASP A 36 11.205 -8.715 10.145 1.00 0.00 O ATOM 0 H ASP A 36 9.038 -11.287 7.179 1.00 0.00 H new ATOM 0 HA ASP A 36 11.667 -9.977 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.855 -11.492 9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.535 -11.176 9.718 1.00 0.00 H new ATOM 597 N ARG A 37 12.894 -12.336 8.007 1.00 0.00 N ATOM 598 CA ARG A 37 13.709 -13.525 7.775 1.00 0.00 C ATOM 599 C ARG A 37 13.817 -14.366 9.043 1.00 0.00 C ATOM 600 O ARG A 37 14.830 -15.024 9.278 1.00 0.00 O ATOM 601 CB ARG A 37 15.106 -13.124 7.296 1.00 0.00 C ATOM 602 CG ARG A 37 15.769 -14.169 6.415 1.00 0.00 C ATOM 603 CD ARG A 37 16.654 -13.528 5.358 1.00 0.00 C ATOM 604 NE ARG A 37 16.563 -14.219 4.074 1.00 0.00 N ATOM 605 CZ ARG A 37 16.942 -13.685 2.915 1.00 0.00 C ATOM 606 NH1 ARG A 37 17.437 -12.454 2.874 1.00 0.00 N ATOM 607 NH2 ARG A 37 16.827 -14.384 1.794 1.00 0.00 N ATOM 0 H ARG A 37 13.250 -11.715 8.734 1.00 0.00 H new ATOM 0 HA ARG A 37 13.224 -14.123 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.037 -12.186 6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.739 -12.937 8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.366 -14.841 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.004 -14.776 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.367 -12.485 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.689 -13.534 5.700 1.00 0.00 H new ATOM 0 HE ARG A 37 16.187 -15.167 4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.529 -11.912 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.726 -12.050 1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.448 -15.331 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.117 -13.975 0.906 1.00 0.00 H new ATOM 621 N GLU A 38 12.767 -14.339 9.858 1.00 0.00 N ATOM 622 CA GLU A 38 12.746 -15.099 11.101 1.00 0.00 C ATOM 623 C GLU A 38 11.390 -15.769 11.306 1.00 0.00 C ATOM 624 O GLU A 38 11.303 -16.991 11.431 1.00 0.00 O ATOM 625 CB GLU A 38 13.065 -14.185 12.287 1.00 0.00 C ATOM 626 CG GLU A 38 14.183 -14.709 13.174 1.00 0.00 C ATOM 627 CD GLU A 38 15.527 -14.093 12.842 1.00 0.00 C ATOM 628 OE1 GLU A 38 16.089 -14.431 11.779 1.00 0.00 O ATOM 629 OE2 GLU A 38 16.019 -13.272 13.645 1.00 0.00 O ATOM 0 H GLU A 38 11.920 -13.799 9.679 1.00 0.00 H new ATOM 0 HA GLU A 38 13.507 -15.876 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.341 -13.200 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.165 -14.056 12.888 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.941 -14.504 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.248 -15.792 13.069 1.00 0.00 H new ATOM 636 N THR A 39 10.335 -14.960 11.340 1.00 0.00 N ATOM 637 CA THR A 39 8.984 -15.475 11.529 1.00 0.00 C ATOM 638 C THR A 39 8.200 -15.479 10.217 1.00 0.00 C ATOM 639 O THR A 39 7.043 -15.899 10.180 1.00 0.00 O ATOM 640 CB THR A 39 8.242 -14.639 12.574 1.00 0.00 C ATOM 641 OG1 THR A 39 8.687 -13.295 12.550 1.00 0.00 O ATOM 642 CG2 THR A 39 8.415 -15.154 13.986 1.00 0.00 C ATOM 0 H THR A 39 10.390 -13.946 11.239 1.00 0.00 H new ATOM 0 HA THR A 39 9.066 -16.504 11.879 1.00 0.00 H new ATOM 0 HB THR A 39 7.188 -14.711 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.199 -12.777 13.224 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.863 -14.516 14.676 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.034 -16.173 14.051 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.473 -15.145 14.250 1.00 0.00 H new ATOM 650 N LYS A 40 8.830 -15.010 9.142 1.00 0.00 N ATOM 651 CA LYS A 40 8.182 -14.966 7.837 1.00 0.00 C ATOM 652 C LYS A 40 6.932 -14.094 7.880 1.00 0.00 C ATOM 653 O LYS A 40 5.933 -14.389 7.224 1.00 0.00 O ATOM 654 CB LYS A 40 7.817 -16.378 7.377 1.00 0.00 C ATOM 655 CG LYS A 40 9.014 -17.197 6.921 1.00 0.00 C ATOM 656 CD LYS A 40 9.594 -16.660 5.623 1.00 0.00 C ATOM 657 CE LYS A 40 11.112 -16.741 5.615 1.00 0.00 C ATOM 658 NZ LYS A 40 11.666 -16.660 4.236 1.00 0.00 N ATOM 0 H LYS A 40 9.787 -14.656 9.151 1.00 0.00 H new ATOM 0 HA LYS A 40 8.883 -14.530 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.320 -16.900 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.100 -16.311 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.781 -17.185 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.715 -18.236 6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.194 -17.227 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.283 -15.624 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.522 -15.931 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.428 -17.676 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.704 -16.719 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.296 -17.447 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.387 -15.757 3.802 1.00 0.00 H new ATOM 672 N LYS A 41 6.994 -13.016 8.656 1.00 0.00 N ATOM 673 CA LYS A 41 5.867 -12.100 8.785 1.00 0.00 C ATOM 674 C LYS A 41 6.199 -10.741 8.172 1.00 0.00 C ATOM 675 O LYS A 41 7.361 -10.339 8.125 1.00 0.00 O ATOM 676 CB LYS A 41 5.487 -11.928 10.257 1.00 0.00 C ATOM 677 CG LYS A 41 5.269 -13.244 10.988 1.00 0.00 C ATOM 678 CD LYS A 41 3.791 -13.522 11.211 1.00 0.00 C ATOM 679 CE LYS A 41 3.566 -14.386 12.442 1.00 0.00 C ATOM 680 NZ LYS A 41 2.515 -15.416 12.214 1.00 0.00 N ATOM 0 H LYS A 41 7.813 -12.756 9.205 1.00 0.00 H new ATOM 0 HA LYS A 41 5.021 -12.526 8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.273 -11.367 10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.577 -11.331 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.710 -14.058 10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.784 -13.217 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.255 -12.579 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.377 -14.021 10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.500 -14.876 12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.278 -13.753 13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.392 -15.984 13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.617 -14.949 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.801 -16.036 11.430 1.00 0.00 H new ATOM 694 N PRO A 42 5.176 -10.014 7.691 1.00 0.00 N ATOM 695 CA PRO A 42 5.364 -8.695 7.078 1.00 0.00 C ATOM 696 C PRO A 42 6.160 -7.750 7.972 1.00 0.00 C ATOM 697 O PRO A 42 5.912 -7.661 9.175 1.00 0.00 O ATOM 698 CB PRO A 42 3.936 -8.179 6.893 1.00 0.00 C ATOM 699 CG PRO A 42 3.097 -9.408 6.811 1.00 0.00 C ATOM 700 CD PRO A 42 3.758 -10.419 7.706 1.00 0.00 C ATOM 0 HA PRO A 42 5.932 -8.756 6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.632 -7.547 7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.846 -7.577 5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.076 -9.207 7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.038 -9.773 5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.344 -10.395 8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.626 -11.434 7.332 1.00 0.00 H new ATOM 708 N LYS A 43 7.116 -7.044 7.377 1.00 0.00 N ATOM 709 CA LYS A 43 7.947 -6.105 8.120 1.00 0.00 C ATOM 710 C LYS A 43 7.134 -4.892 8.558 1.00 0.00 C ATOM 711 O LYS A 43 6.869 -4.705 9.746 1.00 0.00 O ATOM 712 CB LYS A 43 9.139 -5.659 7.272 1.00 0.00 C ATOM 713 CG LYS A 43 10.247 -5.001 8.079 1.00 0.00 C ATOM 714 CD LYS A 43 10.899 -5.987 9.037 1.00 0.00 C ATOM 715 CE LYS A 43 11.094 -5.380 10.417 1.00 0.00 C ATOM 716 NZ LYS A 43 12.437 -5.697 10.977 1.00 0.00 N ATOM 0 H LYS A 43 7.334 -7.105 6.382 1.00 0.00 H new ATOM 0 HA LYS A 43 8.318 -6.613 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.546 -6.524 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.792 -4.961 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.000 -4.597 7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.839 -4.161 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.281 -6.881 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.863 -6.300 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.971 -4.299 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.322 -5.753 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.531 -5.266 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.545 -6.728 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.174 -5.319 10.348 1.00 0.00 H new ATOM 730 N GLY A 44 6.739 -4.069 7.592 1.00 0.00 N ATOM 731 CA GLY A 44 5.957 -2.887 7.903 1.00 0.00 C ATOM 732 C GLY A 44 5.879 -1.909 6.745 1.00 0.00 C ATOM 733 O GLY A 44 5.902 -0.695 6.951 1.00 0.00 O ATOM 0 H GLY A 44 6.946 -4.199 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.948 -3.189 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.394 -2.386 8.767 1.00 0.00 H new ATOM 737 N PHE A 45 5.781 -2.433 5.526 1.00 0.00 N ATOM 738 CA PHE A 45 5.693 -1.589 4.338 1.00 0.00 C ATOM 739 C PHE A 45 5.587 -2.433 3.070 1.00 0.00 C ATOM 740 O PHE A 45 6.058 -3.571 3.024 1.00 0.00 O ATOM 741 CB PHE A 45 6.904 -0.657 4.246 1.00 0.00 C ATOM 742 CG PHE A 45 8.223 -1.375 4.218 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.819 -1.806 5.393 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.870 -1.615 3.016 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.034 -2.463 5.369 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.086 -2.270 2.987 1.00 0.00 C ATOM 747 CZ PHE A 45 10.669 -2.695 4.165 1.00 0.00 C ATOM 0 H PHE A 45 5.761 -3.435 5.335 1.00 0.00 H new ATOM 0 HA PHE A 45 4.790 -0.986 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.814 -0.048 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.891 0.025 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.328 -1.626 6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.418 -1.286 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.487 -2.795 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.581 -2.450 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.619 -3.208 4.144 1.00 0.00 H new ATOM 757 N GLY A 46 4.963 -1.864 2.043 1.00 0.00 N ATOM 758 CA GLY A 46 4.801 -2.570 0.786 1.00 0.00 C ATOM 759 C GLY A 46 4.878 -1.643 -0.411 1.00 0.00 C ATOM 760 O GLY A 46 5.241 -0.474 -0.277 1.00 0.00 O ATOM 0 H GLY A 46 4.566 -0.925 2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.573 -3.335 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.840 -3.085 0.783 1.00 0.00 H new ATOM 764 N PHE A 47 4.537 -2.165 -1.586 1.00 0.00 N ATOM 765 CA PHE A 47 4.571 -1.376 -2.812 1.00 0.00 C ATOM 766 C PHE A 47 3.292 -1.564 -3.620 1.00 0.00 C ATOM 767 O PHE A 47 2.605 -2.577 -3.489 1.00 0.00 O ATOM 768 CB PHE A 47 5.784 -1.768 -3.659 1.00 0.00 C ATOM 769 CG PHE A 47 6.375 -0.620 -4.428 1.00 0.00 C ATOM 770 CD1 PHE A 47 5.782 -0.176 -5.600 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.523 0.014 -3.981 1.00 0.00 C ATOM 772 CE1 PHE A 47 6.323 0.878 -6.310 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.069 1.069 -4.686 1.00 0.00 C ATOM 774 CZ PHE A 47 7.468 1.502 -5.853 1.00 0.00 C ATOM 0 H PHE A 47 4.234 -3.131 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 47 4.651 -0.325 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.549 -2.192 -3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.491 -2.551 -4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.887 -0.660 -5.962 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.997 -0.321 -3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.851 1.214 -7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.964 1.555 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.893 2.326 -6.407 1.00 0.00 H new ATOM 784 N VAL A 48 2.980 -0.582 -4.460 1.00 0.00 N ATOM 785 CA VAL A 48 1.788 -0.636 -5.295 1.00 0.00 C ATOM 786 C VAL A 48 2.008 0.106 -6.609 1.00 0.00 C ATOM 787 O VAL A 48 2.473 1.245 -6.619 1.00 0.00 O ATOM 788 CB VAL A 48 0.566 -0.034 -4.574 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.699 -0.256 -5.390 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.421 -0.628 -3.182 1.00 0.00 C ATOM 0 H VAL A 48 3.539 0.263 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 48 1.592 -1.688 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 48 0.721 1.040 -4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.551 0.176 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.592 0.222 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.861 -1.325 -5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.447 -0.191 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.289 -1.707 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.317 -0.412 -2.599 1.00 0.00 H new ATOM 800 N GLU A 49 1.674 -0.549 -7.717 1.00 0.00 N ATOM 801 CA GLU A 49 1.839 0.048 -9.037 1.00 0.00 C ATOM 802 C GLU A 49 0.487 0.360 -9.669 1.00 0.00 C ATOM 803 O GLU A 49 -0.301 -0.542 -9.948 1.00 0.00 O ATOM 804 CB GLU A 49 2.636 -0.888 -9.946 1.00 0.00 C ATOM 805 CG GLU A 49 3.246 -0.192 -11.152 1.00 0.00 C ATOM 806 CD GLU A 49 2.564 -0.570 -12.452 1.00 0.00 C ATOM 807 OE1 GLU A 49 1.466 -0.038 -12.723 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.127 -1.397 -13.199 1.00 0.00 O ATOM 0 H GLU A 49 1.288 -1.493 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 49 2.387 0.983 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.432 -1.354 -9.365 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.982 -1.689 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.183 0.887 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.305 -0.444 -11.215 1.00 0.00 H new ATOM 815 N MET A 50 0.227 1.644 -9.896 1.00 0.00 N ATOM 816 CA MET A 50 -1.028 2.074 -10.498 1.00 0.00 C ATOM 817 C MET A 50 -0.796 3.214 -11.486 1.00 0.00 C ATOM 818 O MET A 50 0.195 3.937 -11.392 1.00 0.00 O ATOM 819 CB MET A 50 -2.014 2.514 -9.414 1.00 0.00 C ATOM 820 CG MET A 50 -2.590 1.359 -8.611 1.00 0.00 C ATOM 821 SD MET A 50 -4.364 1.520 -8.328 1.00 0.00 S ATOM 822 CE MET A 50 -4.485 3.256 -7.902 1.00 0.00 C ATOM 0 H MET A 50 0.869 2.404 -9.672 1.00 0.00 H new ATOM 0 HA MET A 50 -1.450 1.228 -11.041 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.511 3.203 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.831 3.065 -9.880 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.394 0.424 -9.136 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.078 1.299 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.433 3.442 -7.398 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.663 3.526 -7.239 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.432 3.858 -8.809 1.00 0.00 H new ATOM 832 N GLN A 51 -1.716 3.366 -12.433 1.00 0.00 N ATOM 833 CA GLN A 51 -1.611 4.416 -13.441 1.00 0.00 C ATOM 834 C GLN A 51 -1.541 5.794 -12.789 1.00 0.00 C ATOM 835 O GLN A 51 -2.068 6.003 -11.696 1.00 0.00 O ATOM 836 CB GLN A 51 -2.803 4.352 -14.397 1.00 0.00 C ATOM 837 CG GLN A 51 -4.142 4.200 -13.691 1.00 0.00 C ATOM 838 CD GLN A 51 -5.045 5.403 -13.886 1.00 0.00 C ATOM 839 OE1 GLN A 51 -4.965 6.097 -14.900 1.00 0.00 O ATOM 840 NE2 GLN A 51 -5.912 5.656 -12.912 1.00 0.00 N ATOM 0 H GLN A 51 -2.543 2.776 -12.524 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.692 4.254 -14.004 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.822 5.258 -15.002 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.665 3.515 -15.081 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.646 3.308 -14.064 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.971 4.048 -12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.944 5.054 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.546 6.452 -12.987 1.00 0.00 H new ATOM 849 N GLU A 52 -0.888 6.731 -13.469 1.00 0.00 N ATOM 850 CA GLU A 52 -0.748 8.090 -12.957 1.00 0.00 C ATOM 851 C GLU A 52 -2.040 8.879 -13.145 1.00 0.00 C ATOM 852 O GLU A 52 -2.284 9.454 -14.206 1.00 0.00 O ATOM 853 CB GLU A 52 0.408 8.808 -13.655 1.00 0.00 C ATOM 854 CG GLU A 52 0.223 8.945 -15.157 1.00 0.00 C ATOM 855 CD GLU A 52 1.541 9.067 -15.898 1.00 0.00 C ATOM 856 OE1 GLU A 52 2.423 9.811 -15.421 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.692 8.418 -16.953 1.00 0.00 O ATOM 0 H GLU A 52 -0.448 6.574 -14.376 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.534 8.027 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.523 9.801 -13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.333 8.265 -13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.322 8.079 -15.533 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.389 9.822 -15.365 1.00 0.00 H new ATOM 864 N GLU A 53 -2.862 8.898 -12.104 1.00 0.00 N ATOM 865 CA GLU A 53 -4.133 9.612 -12.139 1.00 0.00 C ATOM 866 C GLU A 53 -4.802 9.565 -10.772 1.00 0.00 C ATOM 867 O GLU A 53 -5.160 10.598 -10.206 1.00 0.00 O ATOM 868 CB GLU A 53 -5.057 9.006 -13.197 1.00 0.00 C ATOM 869 CG GLU A 53 -6.401 9.709 -13.304 1.00 0.00 C ATOM 870 CD GLU A 53 -7.180 9.292 -14.535 1.00 0.00 C ATOM 871 OE1 GLU A 53 -6.895 9.826 -15.627 1.00 0.00 O ATOM 872 OE2 GLU A 53 -8.077 8.432 -14.408 1.00 0.00 O ATOM 0 H GLU A 53 -2.671 8.425 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.938 10.652 -12.400 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.559 9.042 -14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.224 7.955 -12.963 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.992 9.493 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.242 10.787 -13.327 1.00 0.00 H new ATOM 879 N SER A 54 -4.960 8.357 -10.245 1.00 0.00 N ATOM 880 CA SER A 54 -5.576 8.165 -8.939 1.00 0.00 C ATOM 881 C SER A 54 -4.526 8.195 -7.829 1.00 0.00 C ATOM 882 O SER A 54 -4.859 8.345 -6.656 1.00 0.00 O ATOM 883 CB SER A 54 -6.337 6.840 -8.902 1.00 0.00 C ATOM 884 OG SER A 54 -7.683 7.012 -9.313 1.00 0.00 O ATOM 0 H SER A 54 -4.669 7.494 -10.704 1.00 0.00 H new ATOM 0 HA SER A 54 -6.276 8.983 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.845 6.116 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.311 6.431 -7.892 1.00 0.00 H new ATOM 0 HG SER A 54 -8.147 6.150 -9.282 1.00 0.00 H new ATOM 890 N VAL A 55 -3.257 8.049 -8.207 1.00 0.00 N ATOM 891 CA VAL A 55 -2.166 8.057 -7.240 1.00 0.00 C ATOM 892 C VAL A 55 -2.100 9.384 -6.491 1.00 0.00 C ATOM 893 O VAL A 55 -1.921 9.413 -5.274 1.00 0.00 O ATOM 894 CB VAL A 55 -0.810 7.798 -7.923 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.295 7.648 -6.887 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.889 6.566 -8.813 1.00 0.00 C ATOM 0 H VAL A 55 -2.962 7.924 -9.175 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.368 7.255 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.570 8.657 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.244 7.466 -7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.367 8.562 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.066 6.809 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.078 6.398 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.153 5.698 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.648 6.719 -9.580 1.00 0.00 H new ATOM 906 N SER A 56 -2.241 10.483 -7.227 1.00 0.00 N ATOM 907 CA SER A 56 -2.195 11.814 -6.632 1.00 0.00 C ATOM 908 C SER A 56 -3.244 11.963 -5.533 1.00 0.00 C ATOM 909 O SER A 56 -2.923 12.329 -4.402 1.00 0.00 O ATOM 910 CB SER A 56 -2.411 12.883 -7.706 1.00 0.00 C ATOM 911 OG SER A 56 -1.324 12.918 -8.616 1.00 0.00 O ATOM 0 H SER A 56 -2.388 10.477 -8.236 1.00 0.00 H new ATOM 0 HA SER A 56 -1.210 11.947 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.335 12.679 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.526 13.859 -7.234 1.00 0.00 H new ATOM 0 HG SER A 56 -1.486 13.607 -9.293 1.00 0.00 H new ATOM 917 N GLU A 57 -4.495 11.679 -5.875 1.00 0.00 N ATOM 918 CA GLU A 57 -5.591 11.782 -4.918 1.00 0.00 C ATOM 919 C GLU A 57 -5.569 10.619 -3.930 1.00 0.00 C ATOM 920 O GLU A 57 -6.056 10.737 -2.806 1.00 0.00 O ATOM 921 CB GLU A 57 -6.933 11.816 -5.652 1.00 0.00 C ATOM 922 CG GLU A 57 -8.122 12.058 -4.737 1.00 0.00 C ATOM 923 CD GLU A 57 -9.426 11.567 -5.333 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.431 10.469 -5.929 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.444 12.280 -5.204 1.00 0.00 O ATOM 0 H GLU A 57 -4.776 11.376 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.464 12.709 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.903 12.599 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.075 10.871 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.951 11.556 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.202 13.124 -4.526 1.00 0.00 H new ATOM 932 N ALA A 58 -5.006 9.493 -4.358 1.00 0.00 N ATOM 933 CA ALA A 58 -4.925 8.307 -3.513 1.00 0.00 C ATOM 934 C ALA A 58 -4.186 8.602 -2.212 1.00 0.00 C ATOM 935 O ALA A 58 -4.567 8.120 -1.152 1.00 0.00 O ATOM 936 CB ALA A 58 -4.242 7.173 -4.262 1.00 0.00 C ATOM 0 H ALA A 58 -4.599 9.377 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.941 8.005 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.188 6.294 -3.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.813 6.933 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.235 7.478 -4.545 1.00 0.00 H new ATOM 942 N ILE A 59 -3.129 9.399 -2.302 1.00 0.00 N ATOM 943 CA ILE A 59 -2.336 9.761 -1.132 1.00 0.00 C ATOM 944 C ILE A 59 -2.868 11.036 -0.477 1.00 0.00 C ATOM 945 O ILE A 59 -2.428 11.417 0.607 1.00 0.00 O ATOM 946 CB ILE A 59 -0.850 9.963 -1.511 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.254 8.655 -2.041 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.048 10.472 -0.320 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.310 8.772 -3.440 1.00 0.00 C ATOM 0 H ILE A 59 -2.799 9.809 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.416 8.938 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.798 10.715 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.536 8.325 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.024 7.884 -2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.993 10.606 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.457 11.426 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.106 9.749 0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.715 7.809 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.481 9.072 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.103 9.520 -3.451 1.00 0.00 H new ATOM 961 N ALA A 60 -3.805 11.697 -1.146 1.00 0.00 N ATOM 962 CA ALA A 60 -4.382 12.932 -0.637 1.00 0.00 C ATOM 963 C ALA A 60 -5.493 12.669 0.374 1.00 0.00 C ATOM 964 O ALA A 60 -5.520 13.265 1.450 1.00 0.00 O ATOM 965 CB ALA A 60 -4.917 13.762 -1.790 1.00 0.00 C ATOM 0 H ALA A 60 -4.181 11.396 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.592 13.479 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.348 14.686 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.103 14.000 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.684 13.197 -2.320 1.00 0.00 H new ATOM 971 N LYS A 61 -6.417 11.787 0.014 1.00 0.00 N ATOM 972 CA LYS A 61 -7.542 11.463 0.883 1.00 0.00 C ATOM 973 C LYS A 61 -7.226 10.290 1.804 1.00 0.00 C ATOM 974 O LYS A 61 -7.902 10.085 2.812 1.00 0.00 O ATOM 975 CB LYS A 61 -8.782 11.148 0.043 1.00 0.00 C ATOM 976 CG LYS A 61 -9.742 12.321 -0.086 1.00 0.00 C ATOM 977 CD LYS A 61 -9.057 13.540 -0.683 1.00 0.00 C ATOM 978 CE LYS A 61 -9.410 13.717 -2.150 1.00 0.00 C ATOM 979 NZ LYS A 61 -8.535 14.721 -2.817 1.00 0.00 N ATOM 0 H LYS A 61 -6.410 11.283 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.737 12.334 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.467 10.836 -0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.309 10.305 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.586 12.034 -0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.144 12.573 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.350 14.431 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.977 13.439 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.319 12.759 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.451 14.028 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.893 14.912 -3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.535 15.603 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.565 14.351 -2.877 1.00 0.00 H new ATOM 993 N LEU A 62 -6.213 9.507 1.448 1.00 0.00 N ATOM 994 CA LEU A 62 -5.843 8.347 2.247 1.00 0.00 C ATOM 995 C LEU A 62 -4.812 8.697 3.316 1.00 0.00 C ATOM 996 O LEU A 62 -5.139 8.785 4.500 1.00 0.00 O ATOM 997 CB LEU A 62 -5.310 7.246 1.338 1.00 0.00 C ATOM 998 CG LEU A 62 -6.307 6.737 0.297 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.693 5.620 -0.531 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.586 6.263 0.972 1.00 0.00 C ATOM 0 H LEU A 62 -5.638 9.654 0.618 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.737 7.995 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.425 7.617 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.991 6.407 1.956 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.556 7.560 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.418 5.271 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.807 5.993 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.413 4.794 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.285 5.904 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.354 5.454 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.037 7.091 1.519 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.564 8.885 2.899 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.488 9.213 3.830 1.00 0.00 C ATOM 1014 C ASP A 63 -2.836 10.451 4.657 1.00 0.00 C ATOM 1015 O ASP A 63 -3.520 11.357 4.180 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.167 9.407 3.065 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.613 10.820 3.150 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.343 11.768 2.792 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.551 10.975 3.576 1.00 0.00 O ATOM 0 H ASP A 63 -3.272 8.816 1.924 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.364 8.382 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.425 8.711 3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.323 9.150 2.017 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.359 10.479 5.897 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.617 11.600 6.792 1.00 0.00 C ATOM 1026 C ASN A 64 -1.888 11.417 8.119 1.00 0.00 C ATOM 1027 O ASN A 64 -1.327 12.365 8.667 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.119 11.747 7.040 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.535 13.192 7.234 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.248 13.800 8.266 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -5.217 13.750 6.240 1.00 0.00 N ATOM 0 H ASN A 64 -1.791 9.737 6.305 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.243 12.506 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.666 11.324 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.397 11.170 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.525 14.720 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.433 13.209 5.403 1.00 0.00 H new ATOM 1038 N THR A 65 -1.898 10.188 8.630 1.00 0.00 N ATOM 1039 CA THR A 65 -1.237 9.880 9.892 1.00 0.00 C ATOM 1040 C THR A 65 -0.846 8.408 9.956 1.00 0.00 C ATOM 1041 O THR A 65 -1.056 7.658 9.002 1.00 0.00 O ATOM 1042 CB THR A 65 -2.151 10.229 11.069 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.513 10.120 10.695 1.00 0.00 O ATOM 1044 CG2 THR A 65 -1.933 11.628 11.603 1.00 0.00 C ATOM 0 H THR A 65 -2.357 9.391 8.189 1.00 0.00 H new ATOM 0 HA THR A 65 -0.330 10.481 9.955 1.00 0.00 H new ATOM 0 HB THR A 65 -1.897 9.515 11.853 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.082 10.345 11.461 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.613 11.810 12.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.903 11.730 11.946 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.126 12.353 10.812 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.277 8.000 11.085 1.00 0.00 N ATOM 1053 CA ASP A 66 0.143 6.615 11.272 1.00 0.00 C ATOM 1054 C ASP A 66 -0.839 5.865 12.166 1.00 0.00 C ATOM 1055 O ASP A 66 -0.768 5.951 13.392 1.00 0.00 O ATOM 1056 CB ASP A 66 1.546 6.563 11.881 1.00 0.00 C ATOM 1057 CG ASP A 66 2.630 6.838 10.857 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.670 6.129 9.830 1.00 0.00 O ATOM 1059 OD2 ASP A 66 3.440 7.762 11.083 1.00 0.00 O ATOM 0 H ASP A 66 -0.096 8.607 11.884 1.00 0.00 H new ATOM 0 HA ASP A 66 0.160 6.132 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.617 7.294 12.687 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.710 5.581 12.326 1.00 0.00 H new ATOM 1064 N PHE A 67 -1.755 5.131 11.544 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.753 4.365 12.283 1.00 0.00 C ATOM 1066 C PHE A 67 -2.475 2.869 12.180 1.00 0.00 C ATOM 1067 O PHE A 67 -1.417 2.454 11.708 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.156 4.678 11.757 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.044 5.337 12.774 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.027 6.712 12.939 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -5.895 4.580 13.563 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -5.844 7.321 13.874 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -6.713 5.183 14.500 1.00 0.00 C ATOM 1074 CZ PHE A 67 -6.687 6.556 14.655 1.00 0.00 C ATOM 0 H PHE A 67 -1.827 5.050 10.530 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.695 4.653 13.333 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.072 5.326 10.885 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.625 3.753 11.422 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.369 7.315 12.331 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.919 3.507 13.445 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.823 8.394 13.993 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.371 4.582 15.110 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.325 7.030 15.386 1.00 0.00 H new ATOM 1084 N MET A 68 -3.434 2.063 12.625 1.00 0.00 N ATOM 1085 CA MET A 68 -3.293 0.612 12.582 1.00 0.00 C ATOM 1086 C MET A 68 -4.009 0.031 11.367 1.00 0.00 C ATOM 1087 O MET A 68 -4.516 -1.090 11.411 1.00 0.00 O ATOM 1088 CB MET A 68 -3.847 -0.014 13.864 1.00 0.00 C ATOM 1089 CG MET A 68 -5.266 0.424 14.189 1.00 0.00 C ATOM 1090 SD MET A 68 -6.000 -0.540 15.525 1.00 0.00 S ATOM 1091 CE MET A 68 -6.539 -1.997 14.635 1.00 0.00 C ATOM 0 H MET A 68 -4.316 2.390 13.019 1.00 0.00 H new ATOM 0 HA MET A 68 -2.232 0.378 12.501 1.00 0.00 H new ATOM 0 HB2 MET A 68 -3.823 -1.100 13.768 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.195 0.247 14.697 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.263 1.478 14.466 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.885 0.331 13.296 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.015 -2.691 15.328 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.252 -1.709 13.863 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.678 -2.479 14.172 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.050 0.802 10.285 1.00 0.00 N ATOM 1102 CA GLY A 69 -4.706 0.347 9.075 1.00 0.00 C ATOM 1103 C GLY A 69 -5.908 1.198 8.712 1.00 0.00 C ATOM 1104 O GLY A 69 -6.892 0.694 8.171 1.00 0.00 O ATOM 0 H GLY A 69 -3.640 1.734 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.992 0.361 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.023 -0.688 9.204 1.00 0.00 H new ATOM 1108 N ARG A 70 -5.828 2.490 9.011 1.00 0.00 N ATOM 1109 CA ARG A 70 -6.918 3.413 8.714 1.00 0.00 C ATOM 1110 C ARG A 70 -6.490 4.443 7.674 1.00 0.00 C ATOM 1111 O ARG A 70 -7.146 4.610 6.645 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.379 4.119 9.990 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.818 4.607 9.928 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.643 4.071 11.086 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.603 5.057 11.579 1.00 0.00 N ATOM 1116 CZ ARG A 70 -10.256 6.192 12.181 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -8.975 6.487 12.369 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -11.191 7.034 12.599 1.00 0.00 N ATOM 0 H ARG A 70 -5.020 2.922 9.459 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.749 2.836 8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.271 3.436 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.724 4.968 10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.834 5.697 9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.268 4.295 8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.175 3.175 10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.979 3.775 11.898 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.597 4.864 11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.251 5.842 12.051 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.715 7.358 12.831 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.177 6.812 12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.925 7.904 13.060 1.00 0.00 H new ATOM 1132 N THR A 71 -5.387 5.132 7.948 1.00 0.00 N ATOM 1133 CA THR A 71 -4.871 6.145 7.034 1.00 0.00 C ATOM 1134 C THR A 71 -3.464 5.789 6.566 1.00 0.00 C ATOM 1135 O THR A 71 -3.175 5.802 5.370 1.00 0.00 O ATOM 1136 CB THR A 71 -4.866 7.519 7.708 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.076 8.435 6.972 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.336 7.493 9.126 1.00 0.00 C ATOM 0 H THR A 71 -4.833 5.007 8.795 1.00 0.00 H new ATOM 0 HA THR A 71 -5.526 6.179 6.164 1.00 0.00 H new ATOM 0 HB THR A 71 -5.911 7.829 7.735 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.521 8.643 6.124 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.361 8.500 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.955 6.833 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.309 7.127 9.124 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.592 5.468 7.517 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.216 5.105 7.200 1.00 0.00 C ATOM 1148 C ILE A 72 -0.496 6.243 6.485 1.00 0.00 C ATOM 1149 O ILE A 72 -1.130 7.126 5.906 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.159 3.843 6.319 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.041 2.741 6.909 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.277 3.361 6.176 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.330 1.616 5.940 1.00 0.00 C ATOM 0 H ILE A 72 -2.814 5.452 8.512 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.716 4.903 8.147 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.538 4.093 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.554 2.332 7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.984 3.178 7.238 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.301 2.469 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.879 4.144 5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.681 3.125 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.960 0.871 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.845 2.013 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.393 1.153 5.630 1.00 0.00 H new ATOM 1165 N ARG A 73 0.832 6.215 6.527 1.00 0.00 N ATOM 1166 CA ARG A 73 1.639 7.243 5.882 1.00 0.00 C ATOM 1167 C ARG A 73 1.976 6.847 4.446 1.00 0.00 C ATOM 1168 O ARG A 73 3.139 6.868 4.040 1.00 0.00 O ATOM 1169 CB ARG A 73 2.925 7.484 6.679 1.00 0.00 C ATOM 1170 CG ARG A 73 3.261 8.956 6.858 1.00 0.00 C ATOM 1171 CD ARG A 73 4.680 9.146 7.373 1.00 0.00 C ATOM 1172 NE ARG A 73 4.728 10.049 8.521 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.833 10.661 8.937 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.984 10.473 8.303 1.00 0.00 N ATOM 1175 NH2 ARG A 73 5.789 11.465 9.991 1.00 0.00 N ATOM 0 H ARG A 73 1.372 5.491 7.001 1.00 0.00 H new ATOM 0 HA ARG A 73 1.060 8.166 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.827 7.020 7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.754 6.989 6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.146 9.475 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.556 9.409 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.096 8.179 7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.306 9.542 6.573 1.00 0.00 H new ATOM 0 HE ARG A 73 3.863 10.220 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.025 9.856 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.828 10.945 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.908 11.614 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.636 11.934 10.310 1.00 0.00 H new ATOM 1189 N VAL A 74 0.950 6.486 3.682 1.00 0.00 N ATOM 1190 CA VAL A 74 1.137 6.085 2.293 1.00 0.00 C ATOM 1191 C VAL A 74 1.596 7.263 1.439 1.00 0.00 C ATOM 1192 O VAL A 74 0.951 8.311 1.412 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.160 5.500 1.698 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.272 6.538 1.709 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.083 4.982 0.288 1.00 0.00 C ATOM 0 H VAL A 74 -0.018 6.463 4.001 1.00 0.00 H new ATOM 0 HA VAL A 74 1.908 5.315 2.285 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.474 4.661 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.178 6.105 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.466 6.853 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.970 7.401 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.844 4.573 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.424 5.800 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.843 4.201 0.313 1.00 0.00 H new ATOM 1205 N THR A 75 2.713 7.082 0.742 1.00 0.00 N ATOM 1206 CA THR A 75 3.260 8.129 -0.113 1.00 0.00 C ATOM 1207 C THR A 75 3.841 7.541 -1.394 1.00 0.00 C ATOM 1208 O THR A 75 4.146 6.349 -1.460 1.00 0.00 O ATOM 1209 CB THR A 75 4.336 8.917 0.635 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.908 9.905 -0.203 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.461 8.048 1.155 1.00 0.00 C ATOM 0 H THR A 75 3.257 6.219 0.753 1.00 0.00 H new ATOM 0 HA THR A 75 2.447 8.803 -0.383 1.00 0.00 H new ATOM 0 HB THR A 75 3.825 9.369 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.593 10.399 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.190 8.669 1.675 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.059 7.306 1.845 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.946 7.542 0.320 1.00 0.00 H new ATOM 1219 N GLU A 76 3.993 8.383 -2.411 1.00 0.00 N ATOM 1220 CA GLU A 76 4.536 7.948 -3.692 1.00 0.00 C ATOM 1221 C GLU A 76 5.945 7.387 -3.523 1.00 0.00 C ATOM 1222 O GLU A 76 6.744 7.910 -2.746 1.00 0.00 O ATOM 1223 CB GLU A 76 4.555 9.112 -4.684 1.00 0.00 C ATOM 1224 CG GLU A 76 3.170 9.574 -5.107 1.00 0.00 C ATOM 1225 CD GLU A 76 3.199 10.448 -6.345 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.164 10.334 -7.129 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.258 11.248 -6.529 1.00 0.00 O ATOM 0 H GLU A 76 3.747 9.372 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 76 3.893 7.158 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.088 9.951 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.116 8.814 -5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.543 8.703 -5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.709 10.126 -4.288 1.00 0.00 H new ATOM 1234 N ALA A 77 6.242 6.319 -4.256 1.00 0.00 N ATOM 1235 CA ALA A 77 7.553 5.686 -4.188 1.00 0.00 C ATOM 1236 C ALA A 77 8.630 6.590 -4.777 1.00 0.00 C ATOM 1237 O ALA A 77 9.377 7.209 -3.992 1.00 0.00 O ATOM 1238 CB ALA A 77 7.531 4.348 -4.911 1.00 0.00 C ATOM 0 H ALA A 77 5.592 5.874 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 77 7.793 5.515 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.517 3.886 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.795 3.694 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.265 4.504 -5.957 1.00 0.00 H new