USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 475 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 3 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -150:sc= -0.0826 (180deg=-0.676) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 2 THR OG1 : rot 35:sc= -0.0574 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0.845 (180deg=0.844) USER MOD Single : A 35 ASN : amide:sc=-0.00124 K(o=-0.0012,f=-1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.521 USER MOD Single : A 44 THR OG1 : rot 73:sc= 0.222 USER MOD Single : A 45 TYR OH : rot 140:sc= 0.00266 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0.885 (180deg=0.877) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -21:sc= 0.308 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.285 17.071 -4.801 1.00 0.00 N ATOM 2 CA THR A 1 6.878 16.735 -4.982 1.00 0.00 C ATOM 3 C THR A 1 6.062 17.098 -3.749 1.00 0.00 C ATOM 4 O THR A 1 6.554 17.769 -2.842 1.00 0.00 O ATOM 5 CB THR A 1 6.689 15.237 -5.287 1.00 0.00 C ATOM 6 OG1 THR A 1 7.017 14.465 -4.125 1.00 0.00 O ATOM 7 CG2 THR A 1 7.583 14.811 -6.442 1.00 0.00 C ATOM 0 H1 THR A 1 8.708 17.304 -5.722 1.00 0.00 H new ATOM 0 H2 THR A 1 8.367 17.890 -4.165 1.00 0.00 H new ATOM 0 H3 THR A 1 8.785 16.259 -4.386 1.00 0.00 H new ATOM 0 HA THR A 1 6.524 17.317 -5.833 1.00 0.00 H new ATOM 0 HB THR A 1 5.649 15.067 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.895 13.512 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 1 7.436 13.750 -6.643 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.328 15.388 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 1 8.626 14.990 -6.180 1.00 0.00 H new ATOM 17 N THR A 2 4.811 16.651 -3.721 1.00 0.00 N ATOM 18 CA THR A 2 3.941 16.881 -2.574 1.00 0.00 C ATOM 19 C THR A 2 4.288 15.947 -1.422 1.00 0.00 C ATOM 20 O THR A 2 3.847 16.148 -0.291 1.00 0.00 O ATOM 21 CB THR A 2 2.458 16.694 -2.942 1.00 0.00 C ATOM 22 OG1 THR A 2 2.262 15.390 -3.502 1.00 0.00 O ATOM 23 CG2 THR A 2 2.022 17.746 -3.951 1.00 0.00 C ATOM 0 H THR A 2 4.377 16.127 -4.481 1.00 0.00 H new ATOM 0 HA THR A 2 4.102 17.913 -2.262 1.00 0.00 H new ATOM 0 HB THR A 2 1.859 16.802 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.864 14.752 -3.065 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.971 17.598 -4.199 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.158 18.739 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.625 17.655 -4.855 1.00 0.00 H new ATOM 31 N TYR A 3 5.083 14.923 -1.717 1.00 0.00 N ATOM 32 CA TYR A 3 5.515 13.972 -0.701 1.00 0.00 C ATOM 33 C TYR A 3 6.241 14.674 0.439 1.00 0.00 C ATOM 34 O TYR A 3 5.936 14.453 1.611 1.00 0.00 O ATOM 35 CB TYR A 3 6.419 12.903 -1.318 1.00 0.00 C ATOM 36 CG TYR A 3 7.025 11.953 -0.308 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.274 10.924 0.242 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.347 12.087 0.092 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.822 10.054 1.164 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.906 11.223 1.013 1.00 0.00 C ATOM 41 CZ TYR A 3 8.140 10.207 1.547 1.00 0.00 C ATOM 42 OH TYR A 3 8.691 9.344 2.465 1.00 0.00 O ATOM 0 H TYR A 3 5.441 14.731 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 3 4.624 13.493 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.842 12.328 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.222 13.394 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.243 10.801 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.949 12.881 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.223 9.259 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.937 11.342 1.314 1.00 0.00 H new ATOM 0 HH TYR A 3 9.626 9.589 2.624 1.00 0.00 H new ATOM 52 N LYS A 4 7.203 15.521 0.090 1.00 0.00 N ATOM 53 CA LYS A 4 7.993 16.236 1.085 1.00 0.00 C ATOM 54 C LYS A 4 7.235 17.438 1.632 1.00 0.00 C ATOM 55 O LYS A 4 7.512 17.910 2.734 1.00 0.00 O ATOM 56 CB LYS A 4 9.329 16.683 0.486 1.00 0.00 C ATOM 57 CG LYS A 4 10.282 15.545 0.151 1.00 0.00 C ATOM 58 CD LYS A 4 11.595 16.068 -0.407 1.00 0.00 C ATOM 59 CE LYS A 4 12.560 14.932 -0.714 1.00 0.00 C ATOM 60 NZ LYS A 4 13.860 15.431 -1.240 1.00 0.00 N ATOM 0 H LYS A 4 7.455 15.729 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 4 8.186 15.552 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.133 17.255 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.820 17.357 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.475 14.954 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.815 14.880 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.404 16.640 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.051 16.751 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.735 14.350 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.108 14.260 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.488 14.625 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.698 15.965 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.305 16.052 -0.534 1.00 0.00 H new ATOM 74 N LEU A 5 6.277 17.932 0.853 1.00 0.00 N ATOM 75 CA LEU A 5 5.512 19.112 1.234 1.00 0.00 C ATOM 76 C LEU A 5 4.464 18.774 2.287 1.00 0.00 C ATOM 77 O LEU A 5 4.148 19.596 3.147 1.00 0.00 O ATOM 78 CB LEU A 5 4.848 19.734 -0.001 1.00 0.00 C ATOM 79 CG LEU A 5 5.813 20.323 -1.035 1.00 0.00 C ATOM 80 CD1 LEU A 5 5.042 20.791 -2.263 1.00 0.00 C ATOM 81 CD2 LEU A 5 6.585 21.476 -0.412 1.00 0.00 C ATOM 0 H LEU A 5 6.013 17.532 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 5 6.201 19.836 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.239 18.972 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.170 20.521 0.329 1.00 0.00 H new ATOM 0 HG LEU A 5 6.521 19.556 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.737 21.208 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.515 19.946 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.321 21.555 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.271 21.894 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.887 22.248 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.151 21.113 0.446 1.00 0.00 H new ATOM 93 N ILE A 6 3.930 17.561 2.214 1.00 0.00 N ATOM 94 CA ILE A 6 2.845 17.148 3.097 1.00 0.00 C ATOM 95 C ILE A 6 3.241 15.928 3.921 1.00 0.00 C ATOM 96 O ILE A 6 3.485 14.851 3.377 1.00 0.00 O ATOM 97 CB ILE A 6 1.564 16.826 2.306 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.128 18.040 1.480 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.452 16.393 3.248 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.003 17.748 0.514 1.00 0.00 C ATOM 0 H ILE A 6 4.230 16.845 1.552 1.00 0.00 H new ATOM 0 HA ILE A 6 2.647 17.986 3.765 1.00 0.00 H new ATOM 0 HB ILE A 6 1.775 16.003 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.816 18.835 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.986 18.415 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.446 16.169 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.764 15.503 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.240 17.196 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.250 18.655 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.317 16.975 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.871 17.402 1.067 1.00 0.00 H new ATOM 112 N LEU A 7 3.302 16.104 5.236 1.00 0.00 N ATOM 113 CA LEU A 7 3.721 15.035 6.134 1.00 0.00 C ATOM 114 C LEU A 7 2.718 13.889 6.133 1.00 0.00 C ATOM 115 O LEU A 7 3.076 12.738 6.382 1.00 0.00 O ATOM 116 CB LEU A 7 3.910 15.579 7.556 1.00 0.00 C ATOM 117 CG LEU A 7 5.065 16.574 7.727 1.00 0.00 C ATOM 118 CD1 LEU A 7 5.058 17.144 9.139 1.00 0.00 C ATOM 119 CD2 LEU A 7 6.385 15.875 7.434 1.00 0.00 C ATOM 0 H LEU A 7 3.066 16.979 5.704 1.00 0.00 H new ATOM 0 HA LEU A 7 4.674 14.646 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.985 16.064 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.073 14.738 8.231 1.00 0.00 H new ATOM 0 HG LEU A 7 4.942 17.399 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.882 17.849 9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.114 17.657 9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.174 16.334 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.206 16.582 7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.517 15.043 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.378 15.499 6.411 1.00 0.00 H new ATOM 131 N ASN A 8 1.461 14.211 5.852 1.00 0.00 N ATOM 132 CA ASN A 8 0.410 13.203 5.779 1.00 0.00 C ATOM 133 C ASN A 8 0.655 12.232 4.631 1.00 0.00 C ATOM 134 O ASN A 8 0.255 11.069 4.692 1.00 0.00 O ATOM 135 CB ASN A 8 -0.962 13.840 5.645 1.00 0.00 C ATOM 136 CG ASN A 8 -1.450 14.498 6.905 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.984 14.194 8.009 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.442 15.337 6.755 1.00 0.00 N ATOM 0 H ASN A 8 1.144 15.163 5.671 1.00 0.00 H new ATOM 0 HA ASN A 8 0.436 12.644 6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.932 14.582 4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.679 13.076 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.868 15.774 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.790 15.554 5.821 1.00 0.00 H new ATOM 145 N LEU A 9 1.315 12.717 3.585 1.00 0.00 N ATOM 146 CA LEU A 9 1.645 11.883 2.435 1.00 0.00 C ATOM 147 C LEU A 9 2.815 10.957 2.744 1.00 0.00 C ATOM 148 O LEU A 9 2.915 9.863 2.188 1.00 0.00 O ATOM 149 CB LEU A 9 1.967 12.762 1.219 1.00 0.00 C ATOM 150 CG LEU A 9 0.778 13.063 0.299 1.00 0.00 C ATOM 151 CD1 LEU A 9 -0.437 13.459 1.127 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.155 14.174 -0.671 1.00 0.00 C ATOM 0 H LEU A 9 1.632 13.684 3.510 1.00 0.00 H new ATOM 0 HA LEU A 9 0.778 11.263 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.381 13.706 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.745 12.273 0.633 1.00 0.00 H new ATOM 0 HG LEU A 9 0.524 12.169 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.276 13.671 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.702 12.642 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.204 14.348 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.310 14.388 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.417 15.072 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.008 13.859 -1.272 1.00 0.00 H new ATOM 164 N LYS A 10 3.696 11.400 3.634 1.00 0.00 N ATOM 165 CA LYS A 10 4.767 10.550 4.139 1.00 0.00 C ATOM 166 C LYS A 10 4.212 9.398 4.969 1.00 0.00 C ATOM 167 O LYS A 10 4.693 8.270 4.879 1.00 0.00 O ATOM 168 CB LYS A 10 5.753 11.372 4.974 1.00 0.00 C ATOM 169 CG LYS A 10 6.573 12.372 4.172 1.00 0.00 C ATOM 170 CD LYS A 10 7.588 13.087 5.052 1.00 0.00 C ATOM 171 CE LYS A 10 8.372 14.125 4.264 1.00 0.00 C ATOM 172 NZ LYS A 10 9.403 14.798 5.100 1.00 0.00 N ATOM 0 H LYS A 10 3.689 12.344 4.021 1.00 0.00 H new ATOM 0 HA LYS A 10 5.292 10.130 3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.199 11.909 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.433 10.691 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.090 11.856 3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.909 13.103 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.075 13.570 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.276 12.359 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.853 13.646 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.685 14.871 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.914 15.497 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.943 15.278 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.074 14.090 5.461 1.00 0.00 H new ATOM 186 N GLN A 11 3.197 9.692 5.774 1.00 0.00 N ATOM 187 CA GLN A 11 2.522 8.664 6.559 1.00 0.00 C ATOM 188 C GLN A 11 1.745 7.709 5.664 1.00 0.00 C ATOM 189 O GLN A 11 1.732 6.499 5.895 1.00 0.00 O ATOM 190 CB GLN A 11 1.574 9.305 7.576 1.00 0.00 C ATOM 191 CG GLN A 11 2.278 10.044 8.703 1.00 0.00 C ATOM 192 CD GLN A 11 1.303 10.736 9.637 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.089 10.719 9.414 1.00 0.00 O ATOM 194 NE2 GLN A 11 1.830 11.352 10.689 1.00 0.00 N ATOM 0 H GLN A 11 2.824 10.633 5.900 1.00 0.00 H new ATOM 0 HA GLN A 11 3.287 8.096 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.917 10.001 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.941 8.529 8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.885 9.340 9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.959 10.783 8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.840 11.340 10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.225 11.837 11.352 1.00 0.00 H new ATOM 203 N ALA A 12 1.098 8.257 4.641 1.00 0.00 N ATOM 204 CA ALA A 12 0.388 7.446 3.661 1.00 0.00 C ATOM 205 C ALA A 12 1.313 6.423 3.016 1.00 0.00 C ATOM 206 O ALA A 12 0.954 5.254 2.866 1.00 0.00 O ATOM 207 CB ALA A 12 -0.248 8.334 2.600 1.00 0.00 C ATOM 0 H ALA A 12 1.051 9.261 4.470 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.400 6.902 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.775 7.714 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.953 9.018 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.528 8.907 2.092 1.00 0.00 H new ATOM 213 N LYS A 13 2.506 6.868 2.636 1.00 0.00 N ATOM 214 CA LYS A 13 3.511 5.978 2.070 1.00 0.00 C ATOM 215 C LYS A 13 3.862 4.855 3.040 1.00 0.00 C ATOM 216 O LYS A 13 3.890 3.683 2.664 1.00 0.00 O ATOM 217 CB LYS A 13 4.770 6.760 1.694 1.00 0.00 C ATOM 218 CG LYS A 13 5.865 5.920 1.048 1.00 0.00 C ATOM 219 CD LYS A 13 7.086 6.763 0.718 1.00 0.00 C ATOM 220 CE LYS A 13 8.204 5.914 0.132 1.00 0.00 C ATOM 221 NZ LYS A 13 9.423 6.718 -0.156 1.00 0.00 N ATOM 0 H LYS A 13 2.800 7.842 2.710 1.00 0.00 H new ATOM 0 HA LYS A 13 3.090 5.532 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.494 7.562 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.172 7.231 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.150 5.111 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.483 5.458 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.810 7.544 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.440 7.262 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.454 5.113 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.857 5.441 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.160 6.101 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.192 7.466 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.771 7.149 0.724 1.00 0.00 H new ATOM 235 N GLU A 14 4.128 5.222 4.289 1.00 0.00 N ATOM 236 CA GLU A 14 4.534 4.254 5.301 1.00 0.00 C ATOM 237 C GLU A 14 3.488 3.159 5.467 1.00 0.00 C ATOM 238 O GLU A 14 3.824 1.995 5.687 1.00 0.00 O ATOM 239 CB GLU A 14 4.782 4.952 6.640 1.00 0.00 C ATOM 240 CG GLU A 14 6.054 5.785 6.689 1.00 0.00 C ATOM 241 CD GLU A 14 6.177 6.520 7.994 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.269 6.439 8.787 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.223 7.070 8.248 1.00 0.00 O ATOM 0 H GLU A 14 4.070 6.183 4.625 1.00 0.00 H new ATOM 0 HA GLU A 14 5.462 3.790 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.932 5.596 6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.825 4.198 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.920 5.138 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.055 6.499 5.866 1.00 0.00 H new ATOM 250 N GLU A 15 2.219 3.539 5.361 1.00 0.00 N ATOM 251 CA GLU A 15 1.125 2.577 5.425 1.00 0.00 C ATOM 252 C GLU A 15 1.211 1.569 4.286 1.00 0.00 C ATOM 253 O GLU A 15 1.149 0.359 4.510 1.00 0.00 O ATOM 254 CB GLU A 15 -0.224 3.299 5.387 1.00 0.00 C ATOM 255 CG GLU A 15 -0.563 4.065 6.658 1.00 0.00 C ATOM 256 CD GLU A 15 -1.814 4.883 6.487 1.00 0.00 C ATOM 257 OE1 GLU A 15 -2.300 4.965 5.384 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.345 5.331 7.475 1.00 0.00 O ATOM 0 H GLU A 15 1.923 4.506 5.230 1.00 0.00 H new ATOM 0 HA GLU A 15 1.211 2.035 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.227 3.994 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.009 2.567 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.694 3.365 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.268 4.719 6.924 1.00 0.00 H new ATOM 265 N ALA A 16 1.351 2.072 3.064 1.00 0.00 N ATOM 266 CA ALA A 16 1.398 1.219 1.884 1.00 0.00 C ATOM 267 C ALA A 16 2.653 0.353 1.881 1.00 0.00 C ATOM 268 O ALA A 16 2.657 -0.749 1.333 1.00 0.00 O ATOM 269 CB ALA A 16 1.327 2.060 0.619 1.00 0.00 C ATOM 0 H ALA A 16 1.434 3.069 2.866 1.00 0.00 H new ATOM 0 HA ALA A 16 0.533 0.556 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.363 1.408 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.396 2.626 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.171 2.749 0.592 1.00 0.00 H new ATOM 275 N ILE A 17 3.717 0.860 2.494 1.00 0.00 N ATOM 276 CA ILE A 17 4.948 0.096 2.648 1.00 0.00 C ATOM 277 C ILE A 17 4.719 -1.160 3.479 1.00 0.00 C ATOM 278 O ILE A 17 5.116 -2.257 3.088 1.00 0.00 O ATOM 279 CB ILE A 17 6.059 0.938 3.302 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.541 2.026 2.341 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.216 0.051 3.732 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.486 3.024 2.971 1.00 0.00 C ATOM 0 H ILE A 17 3.751 1.798 2.893 1.00 0.00 H new ATOM 0 HA ILE A 17 5.265 -0.190 1.645 1.00 0.00 H new ATOM 0 HB ILE A 17 5.650 1.421 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.038 1.554 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.675 2.559 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.992 0.663 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.861 -0.687 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.626 -0.460 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.783 3.763 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.987 3.524 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.370 2.505 3.340 1.00 0.00 H new ATOM 294 N LYS A 18 4.073 -0.990 4.629 1.00 0.00 N ATOM 295 CA LYS A 18 3.778 -2.112 5.513 1.00 0.00 C ATOM 296 C LYS A 18 2.742 -3.042 4.896 1.00 0.00 C ATOM 297 O LYS A 18 2.720 -4.240 5.181 1.00 0.00 O ATOM 298 CB LYS A 18 3.289 -1.609 6.872 1.00 0.00 C ATOM 299 CG LYS A 18 4.359 -0.919 7.710 1.00 0.00 C ATOM 300 CD LYS A 18 3.796 -0.442 9.041 1.00 0.00 C ATOM 301 CE LYS A 18 4.858 0.268 9.868 1.00 0.00 C ATOM 302 NZ LYS A 18 4.312 0.778 11.155 1.00 0.00 N ATOM 0 H LYS A 18 3.744 -0.087 4.970 1.00 0.00 H new ATOM 0 HA LYS A 18 4.700 -2.675 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.465 -0.914 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.891 -2.452 7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.185 -1.608 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.764 -0.070 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.959 0.233 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.406 -1.293 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.680 -0.419 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.270 1.098 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.067 1.255 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.544 1.453 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.942 -0.017 11.715 1.00 0.00 H new ATOM 316 N GLU A 19 1.884 -2.484 4.048 1.00 0.00 N ATOM 317 CA GLU A 19 0.875 -3.273 3.350 1.00 0.00 C ATOM 318 C GLU A 19 1.502 -4.132 2.262 1.00 0.00 C ATOM 319 O GLU A 19 1.046 -5.245 1.995 1.00 0.00 O ATOM 320 CB GLU A 19 -0.195 -2.358 2.749 1.00 0.00 C ATOM 321 CG GLU A 19 -1.146 -1.746 3.767 1.00 0.00 C ATOM 322 CD GLU A 19 -1.887 -2.809 4.530 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.474 -3.660 3.907 1.00 0.00 O ATOM 324 OE2 GLU A 19 -1.773 -2.836 5.733 1.00 0.00 O ATOM 0 H GLU A 19 1.867 -1.488 3.827 1.00 0.00 H new ATOM 0 HA GLU A 19 0.407 -3.936 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.298 -1.554 2.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.776 -2.927 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.585 -1.121 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.859 -1.097 3.258 1.00 0.00 H new ATOM 331 N LEU A 20 2.551 -3.611 1.634 1.00 0.00 N ATOM 332 CA LEU A 20 3.338 -4.389 0.683 1.00 0.00 C ATOM 333 C LEU A 20 4.097 -5.509 1.383 1.00 0.00 C ATOM 334 O LEU A 20 4.277 -6.591 0.826 1.00 0.00 O ATOM 335 CB LEU A 20 4.314 -3.474 -0.069 1.00 0.00 C ATOM 336 CG LEU A 20 3.679 -2.598 -1.157 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.675 -1.546 -1.627 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.230 -3.474 -2.317 1.00 0.00 C ATOM 0 H LEU A 20 2.876 -2.653 1.766 1.00 0.00 H new ATOM 0 HA LEU A 20 2.653 -4.843 -0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.810 -2.826 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.087 -4.091 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 20 2.808 -2.084 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.215 -0.929 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.965 -0.917 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.559 -2.038 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.779 -2.851 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.091 -3.999 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.498 -4.200 -1.963 1.00 0.00 H new ATOM 350 N VAL A 21 4.537 -5.244 2.608 1.00 0.00 N ATOM 351 CA VAL A 21 5.140 -6.275 3.446 1.00 0.00 C ATOM 352 C VAL A 21 4.140 -7.377 3.767 1.00 0.00 C ATOM 353 O VAL A 21 4.464 -8.563 3.697 1.00 0.00 O ATOM 354 CB VAL A 21 5.682 -5.687 4.763 1.00 0.00 C ATOM 355 CG1 VAL A 21 6.105 -6.801 5.708 1.00 0.00 C ATOM 356 CG2 VAL A 21 6.850 -4.752 4.488 1.00 0.00 C ATOM 0 H VAL A 21 4.488 -4.323 3.044 1.00 0.00 H new ATOM 0 HA VAL A 21 5.970 -6.696 2.878 1.00 0.00 H new ATOM 0 HB VAL A 21 4.886 -5.114 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.485 -6.368 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.247 -7.435 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.886 -7.399 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.220 -4.346 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.648 -5.303 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.519 -3.936 3.846 1.00 0.00 H new ATOM 366 N ASP A 22 2.922 -6.980 4.120 1.00 0.00 N ATOM 367 CA ASP A 22 1.850 -7.934 4.383 1.00 0.00 C ATOM 368 C ASP A 22 1.467 -8.693 3.119 1.00 0.00 C ATOM 369 O ASP A 22 1.157 -9.884 3.169 1.00 0.00 O ATOM 370 CB ASP A 22 0.626 -7.220 4.959 1.00 0.00 C ATOM 371 CG ASP A 22 0.787 -6.760 6.403 1.00 0.00 C ATOM 372 OD1 ASP A 22 1.722 -7.184 7.039 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.071 -5.875 6.806 1.00 0.00 O ATOM 0 H ASP A 22 2.652 -6.003 4.231 1.00 0.00 H new ATOM 0 HA ASP A 22 2.216 -8.654 5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.400 -6.353 4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.232 -7.889 4.897 1.00 0.00 H new ATOM 378 N ALA A 23 1.490 -7.997 1.987 1.00 0.00 N ATOM 379 CA ALA A 23 1.251 -8.629 0.695 1.00 0.00 C ATOM 380 C ALA A 23 2.380 -9.584 0.332 1.00 0.00 C ATOM 381 O ALA A 23 2.163 -10.587 -0.350 1.00 0.00 O ATOM 382 CB ALA A 23 1.077 -7.572 -0.387 1.00 0.00 C ATOM 0 H ALA A 23 1.672 -6.995 1.938 1.00 0.00 H new ATOM 0 HA ALA A 23 0.332 -9.210 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.899 -8.059 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.227 -6.935 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.980 -6.964 -0.450 1.00 0.00 H new ATOM 388 N GLY A 24 3.586 -9.270 0.793 1.00 0.00 N ATOM 389 CA GLY A 24 4.740 -10.134 0.570 1.00 0.00 C ATOM 390 C GLY A 24 5.356 -9.884 -0.801 1.00 0.00 C ATOM 391 O GLY A 24 5.908 -10.796 -1.419 1.00 0.00 O ATOM 0 H GLY A 24 3.790 -8.423 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.486 -9.957 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.438 -11.178 0.651 1.00 0.00 H new ATOM 395 N ILE A 25 5.260 -8.646 -1.272 1.00 0.00 N ATOM 396 CA ILE A 25 5.712 -8.299 -2.614 1.00 0.00 C ATOM 397 C ILE A 25 6.983 -7.460 -2.568 1.00 0.00 C ATOM 398 O ILE A 25 6.932 -6.249 -2.352 1.00 0.00 O ATOM 399 CB ILE A 25 4.629 -7.531 -3.394 1.00 0.00 C ATOM 400 CG1 ILE A 25 3.300 -8.289 -3.350 1.00 0.00 C ATOM 401 CG2 ILE A 25 5.070 -7.305 -4.833 1.00 0.00 C ATOM 402 CD1 ILE A 25 3.368 -9.676 -3.947 1.00 0.00 C ATOM 0 H ILE A 25 4.872 -7.865 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 25 5.919 -9.238 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 25 4.486 -6.559 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.970 -8.365 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.545 -7.711 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.293 -6.761 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.993 -6.725 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.240 -8.267 -5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.389 -10.150 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.666 -9.608 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.098 -10.272 -3.400 1.00 0.00 H new ATOM 414 N ALA A 26 8.123 -8.112 -2.770 1.00 0.00 N ATOM 415 CA ALA A 26 9.416 -7.458 -2.614 1.00 0.00 C ATOM 416 C ALA A 26 9.678 -6.475 -3.747 1.00 0.00 C ATOM 417 O ALA A 26 10.150 -5.361 -3.519 1.00 0.00 O ATOM 418 CB ALA A 26 10.528 -8.496 -2.539 1.00 0.00 C ATOM 0 H ALA A 26 8.177 -9.093 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 26 9.399 -6.894 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.488 -7.993 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.356 -9.152 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.537 -9.087 -3.455 1.00 0.00 H new ATOM 424 N GLU A 27 9.371 -6.894 -4.970 1.00 0.00 N ATOM 425 CA GLU A 27 9.623 -6.073 -6.147 1.00 0.00 C ATOM 426 C GLU A 27 8.942 -4.715 -6.029 1.00 0.00 C ATOM 427 O GLU A 27 9.564 -3.676 -6.251 1.00 0.00 O ATOM 428 CB GLU A 27 9.148 -6.790 -7.413 1.00 0.00 C ATOM 429 CG GLU A 27 9.417 -6.031 -8.705 1.00 0.00 C ATOM 430 CD GLU A 27 9.041 -6.850 -9.909 1.00 0.00 C ATOM 431 OE1 GLU A 27 8.518 -7.923 -9.733 1.00 0.00 O ATOM 432 OE2 GLU A 27 9.175 -6.355 -11.003 1.00 0.00 O ATOM 0 H GLU A 27 8.946 -7.799 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 27 10.699 -5.910 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.636 -7.763 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.077 -6.975 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.852 -5.099 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.472 -5.764 -8.759 1.00 0.00 H new ATOM 439 N LYS A 28 7.661 -4.730 -5.678 1.00 0.00 N ATOM 440 CA LYS A 28 6.879 -3.504 -5.577 1.00 0.00 C ATOM 441 C LYS A 28 7.220 -2.735 -4.307 1.00 0.00 C ATOM 442 O LYS A 28 7.020 -1.523 -4.230 1.00 0.00 O ATOM 443 CB LYS A 28 5.383 -3.817 -5.617 1.00 0.00 C ATOM 444 CG LYS A 28 4.922 -4.533 -6.880 1.00 0.00 C ATOM 445 CD LYS A 28 5.076 -3.644 -8.105 1.00 0.00 C ATOM 446 CE LYS A 28 4.591 -4.348 -9.363 1.00 0.00 C ATOM 447 NZ LYS A 28 4.744 -3.493 -10.573 1.00 0.00 N ATOM 0 H LYS A 28 7.141 -5.580 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 28 7.132 -2.877 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.130 -4.431 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.827 -2.885 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.501 -5.446 -7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.879 -4.830 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.512 -2.722 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.122 -3.363 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.150 -5.273 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.543 -4.624 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.402 -4.009 -11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.190 -2.621 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.747 -3.251 -10.702 1.00 0.00 H new ATOM 461 N TYR A 29 7.736 -3.448 -3.310 1.00 0.00 N ATOM 462 CA TYR A 29 8.257 -2.815 -2.105 1.00 0.00 C ATOM 463 C TYR A 29 9.318 -1.777 -2.443 1.00 0.00 C ATOM 464 O TYR A 29 9.414 -0.735 -1.791 1.00 0.00 O ATOM 465 CB TYR A 29 8.834 -3.866 -1.154 1.00 0.00 C ATOM 466 CG TYR A 29 9.300 -3.304 0.170 1.00 0.00 C ATOM 467 CD1 TYR A 29 8.419 -3.155 1.231 1.00 0.00 C ATOM 468 CD2 TYR A 29 10.623 -2.928 0.358 1.00 0.00 C ATOM 469 CE1 TYR A 29 8.838 -2.643 2.443 1.00 0.00 C ATOM 470 CE2 TYR A 29 11.052 -2.414 1.565 1.00 0.00 C ATOM 471 CZ TYR A 29 10.158 -2.273 2.606 1.00 0.00 C ATOM 472 OH TYR A 29 10.584 -1.764 3.812 1.00 0.00 O ATOM 0 H TYR A 29 7.804 -4.466 -3.314 1.00 0.00 H new ATOM 0 HA TYR A 29 7.429 -2.307 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.077 -4.628 -0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.673 -4.362 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.386 -3.445 1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.328 -3.039 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.138 -2.533 3.258 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.084 -2.123 1.694 1.00 0.00 H new ATOM 0 HH TYR A 29 11.540 -1.555 3.759 1.00 0.00 H new ATOM 482 N PHE A 30 10.117 -2.065 -3.466 1.00 0.00 N ATOM 483 CA PHE A 30 11.225 -1.195 -3.843 1.00 0.00 C ATOM 484 C PHE A 30 10.867 -0.342 -5.054 1.00 0.00 C ATOM 485 O PHE A 30 11.432 0.733 -5.257 1.00 0.00 O ATOM 486 CB PHE A 30 12.479 -2.020 -4.132 1.00 0.00 C ATOM 487 CG PHE A 30 13.032 -2.724 -2.926 1.00 0.00 C ATOM 488 CD1 PHE A 30 13.667 -2.012 -1.919 1.00 0.00 C ATOM 489 CD2 PHE A 30 12.920 -4.100 -2.794 1.00 0.00 C ATOM 490 CE1 PHE A 30 14.177 -2.656 -0.809 1.00 0.00 C ATOM 491 CE2 PHE A 30 13.429 -4.749 -1.685 1.00 0.00 C ATOM 492 CZ PHE A 30 14.058 -4.027 -0.692 1.00 0.00 C ATOM 0 H PHE A 30 10.017 -2.896 -4.049 1.00 0.00 H new ATOM 0 HA PHE A 30 11.427 -0.528 -3.004 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.248 -2.760 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.247 -1.365 -4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.764 -0.940 -2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.429 -4.672 -3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.669 -2.088 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.334 -5.821 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.457 -4.533 0.175 1.00 0.00 H new ATOM 502 N LYS A 31 9.928 -0.830 -5.857 1.00 0.00 N ATOM 503 CA LYS A 31 9.553 -0.156 -7.095 1.00 0.00 C ATOM 504 C LYS A 31 8.300 0.688 -6.908 1.00 0.00 C ATOM 505 O LYS A 31 8.321 1.901 -7.108 1.00 0.00 O ATOM 506 CB LYS A 31 9.339 -1.176 -8.215 1.00 0.00 C ATOM 507 CG LYS A 31 10.606 -1.890 -8.667 1.00 0.00 C ATOM 508 CD LYS A 31 10.353 -2.734 -9.907 1.00 0.00 C ATOM 509 CE LYS A 31 11.578 -3.562 -10.273 1.00 0.00 C ATOM 510 NZ LYS A 31 11.333 -4.420 -11.464 1.00 0.00 N ATOM 0 H LYS A 31 9.412 -1.690 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 31 10.371 0.509 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.617 -1.921 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.897 -0.668 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.384 -1.156 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.975 -2.525 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.504 -3.395 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.087 -2.086 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.419 -2.898 -10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.859 -4.188 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.196 -4.954 -11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.558 -5.083 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.073 -3.823 -12.275 1.00 0.00 H new ATOM 524 N LEU A 32 7.207 0.037 -6.523 1.00 0.00 N ATOM 525 CA LEU A 32 5.892 0.665 -6.548 1.00 0.00 C ATOM 526 C LEU A 32 5.820 1.832 -5.571 1.00 0.00 C ATOM 527 O LEU A 32 5.584 2.972 -5.969 1.00 0.00 O ATOM 528 CB LEU A 32 4.805 -0.369 -6.226 1.00 0.00 C ATOM 529 CG LEU A 32 3.366 0.159 -6.286 1.00 0.00 C ATOM 530 CD1 LEU A 32 3.004 0.532 -7.717 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.414 -0.898 -5.747 1.00 0.00 C ATOM 0 H LEU A 32 7.207 -0.927 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 32 5.723 1.056 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.899 -1.201 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.988 -0.767 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 32 3.282 1.054 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.980 0.906 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.684 1.306 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.088 -0.348 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.392 -0.523 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.494 -1.802 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.673 -1.128 -4.714 1.00 0.00 H new ATOM 543 N ILE A 33 6.026 1.540 -4.292 1.00 0.00 N ATOM 544 CA ILE A 33 5.831 2.528 -3.239 1.00 0.00 C ATOM 545 C ILE A 33 6.920 3.592 -3.275 1.00 0.00 C ATOM 546 O ILE A 33 6.743 4.693 -2.753 1.00 0.00 O ATOM 547 CB ILE A 33 5.811 1.875 -1.846 1.00 0.00 C ATOM 548 CG1 ILE A 33 5.272 2.856 -0.802 1.00 0.00 C ATOM 549 CG2 ILE A 33 7.203 1.397 -1.462 1.00 0.00 C ATOM 550 CD1 ILE A 33 3.965 3.508 -1.194 1.00 0.00 C ATOM 0 H ILE A 33 6.329 0.625 -3.959 1.00 0.00 H new ATOM 0 HA ILE A 33 4.864 2.995 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 33 5.148 1.010 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.135 2.328 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.017 3.633 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.170 0.938 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.550 0.665 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.887 2.245 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.647 4.189 -0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.100 4.065 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.205 2.741 -1.339 1.00 0.00 H new ATOM 562 N ALA A 34 8.046 3.259 -3.896 1.00 0.00 N ATOM 563 CA ALA A 34 9.168 4.184 -4.000 1.00 0.00 C ATOM 564 C ALA A 34 8.790 5.416 -4.814 1.00 0.00 C ATOM 565 O ALA A 34 9.386 6.482 -4.660 1.00 0.00 O ATOM 566 CB ALA A 34 10.375 3.489 -4.612 1.00 0.00 C ATOM 0 H ALA A 34 8.206 2.353 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 34 9.429 4.513 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.204 4.194 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.667 2.647 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.120 3.128 -5.608 1.00 0.00 H new ATOM 572 N ASN A 35 7.798 5.262 -5.685 1.00 0.00 N ATOM 573 CA ASN A 35 7.395 6.335 -6.586 1.00 0.00 C ATOM 574 C ASN A 35 6.205 7.106 -6.028 1.00 0.00 C ATOM 575 O ASN A 35 5.552 7.862 -6.746 1.00 0.00 O ATOM 576 CB ASN A 35 7.076 5.805 -7.971 1.00 0.00 C ATOM 577 CG ASN A 35 8.282 5.322 -8.727 1.00 0.00 C ATOM 578 OD1 ASN A 35 9.408 5.776 -8.498 1.00 0.00 O ATOM 579 ND2 ASN A 35 8.041 4.461 -9.684 1.00 0.00 N ATOM 0 H ASN A 35 7.258 4.403 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 35 8.239 7.019 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.363 4.986 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.588 6.591 -8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.802 4.136 -10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.093 4.116 -9.833 1.00 0.00 H new ATOM 586 N ALA A 36 5.929 6.907 -4.743 1.00 0.00 N ATOM 587 CA ALA A 36 4.834 7.606 -4.080 1.00 0.00 C ATOM 588 C ALA A 36 5.075 9.109 -4.054 1.00 0.00 C ATOM 589 O ALA A 36 6.058 9.581 -3.483 1.00 0.00 O ATOM 590 CB ALA A 36 4.645 7.073 -2.667 1.00 0.00 C ATOM 0 H ALA A 36 6.448 6.268 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 36 3.923 7.423 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.824 7.604 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.414 6.008 -2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.561 7.224 -2.096 1.00 0.00 H new ATOM 596 N LYS A 37 4.172 9.859 -4.679 1.00 0.00 N ATOM 597 CA LYS A 37 4.255 11.314 -4.683 1.00 0.00 C ATOM 598 C LYS A 37 3.057 11.936 -3.976 1.00 0.00 C ATOM 599 O LYS A 37 3.208 12.834 -3.148 1.00 0.00 O ATOM 600 CB LYS A 37 4.355 11.843 -6.114 1.00 0.00 C ATOM 601 CG LYS A 37 5.628 11.439 -6.846 1.00 0.00 C ATOM 602 CD LYS A 37 5.644 11.980 -8.267 1.00 0.00 C ATOM 603 CE LYS A 37 6.901 11.551 -9.009 1.00 0.00 C ATOM 604 NZ LYS A 37 6.908 12.032 -10.418 1.00 0.00 N ATOM 0 H LYS A 37 3.374 9.481 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 37 5.156 11.597 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.495 11.486 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.293 12.931 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.496 11.812 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.708 10.352 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.764 11.625 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.586 13.068 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.778 11.937 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.976 10.464 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.781 11.718 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.085 11.643 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.862 13.071 -10.430 1.00 0.00 H new ATOM 618 N THR A 38 1.864 11.453 -4.311 1.00 0.00 N ATOM 619 CA THR A 38 0.638 11.938 -3.688 1.00 0.00 C ATOM 620 C THR A 38 -0.067 10.828 -2.921 1.00 0.00 C ATOM 621 O THR A 38 0.233 9.647 -3.103 1.00 0.00 O ATOM 622 CB THR A 38 -0.331 12.525 -4.731 1.00 0.00 C ATOM 623 OG1 THR A 38 -0.807 11.478 -5.586 1.00 0.00 O ATOM 624 CG2 THR A 38 0.366 13.585 -5.571 1.00 0.00 C ATOM 0 H THR A 38 1.721 10.725 -5.011 1.00 0.00 H new ATOM 0 HA THR A 38 0.929 12.726 -2.993 1.00 0.00 H new ATOM 0 HB THR A 38 -1.169 12.986 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.425 11.852 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.334 13.988 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.718 14.389 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.215 13.139 -6.089 1.00 0.00 H new ATOM 632 N VAL A 39 -1.005 11.211 -2.062 1.00 0.00 N ATOM 633 CA VAL A 39 -1.836 10.246 -1.354 1.00 0.00 C ATOM 634 C VAL A 39 -2.753 9.498 -2.314 1.00 0.00 C ATOM 635 O VAL A 39 -3.191 8.384 -2.028 1.00 0.00 O ATOM 636 CB VAL A 39 -2.692 10.926 -0.268 1.00 0.00 C ATOM 637 CG1 VAL A 39 -3.821 11.725 -0.904 1.00 0.00 C ATOM 638 CG2 VAL A 39 -3.250 9.891 0.697 1.00 0.00 C ATOM 0 H VAL A 39 -1.209 12.185 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.157 9.538 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.057 11.612 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.416 12.199 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.402 12.491 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.455 11.058 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.852 10.389 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.871 9.181 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.428 9.360 1.176 1.00 0.00 H new ATOM 648 N GLU A 40 -3.038 10.117 -3.455 1.00 0.00 N ATOM 649 CA GLU A 40 -3.820 9.470 -4.501 1.00 0.00 C ATOM 650 C GLU A 40 -3.005 8.405 -5.223 1.00 0.00 C ATOM 651 O GLU A 40 -3.529 7.359 -5.601 1.00 0.00 O ATOM 652 CB GLU A 40 -4.334 10.507 -5.504 1.00 0.00 C ATOM 653 CG GLU A 40 -5.388 11.452 -4.947 1.00 0.00 C ATOM 654 CD GLU A 40 -5.781 12.492 -5.960 1.00 0.00 C ATOM 655 OE1 GLU A 40 -5.211 12.502 -7.025 1.00 0.00 O ATOM 656 OE2 GLU A 40 -6.725 13.204 -5.714 1.00 0.00 O ATOM 0 H GLU A 40 -2.739 11.066 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.671 8.982 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.490 11.095 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.750 9.986 -6.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.268 10.883 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.004 11.941 -4.051 1.00 0.00 H new ATOM 663 N GLY A 41 -1.717 8.679 -5.409 1.00 0.00 N ATOM 664 CA GLY A 41 -0.785 7.674 -5.904 1.00 0.00 C ATOM 665 C GLY A 41 -0.660 6.509 -4.929 1.00 0.00 C ATOM 666 O GLY A 41 -0.601 5.350 -5.337 1.00 0.00 O ATOM 0 H GLY A 41 -1.296 9.589 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.124 7.306 -6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.194 8.128 -6.060 1.00 0.00 H new ATOM 670 N VAL A 42 -0.621 6.827 -3.640 1.00 0.00 N ATOM 671 CA VAL A 42 -0.591 5.804 -2.600 1.00 0.00 C ATOM 672 C VAL A 42 -1.874 4.985 -2.596 1.00 0.00 C ATOM 673 O VAL A 42 -1.844 3.767 -2.417 1.00 0.00 O ATOM 674 CB VAL A 42 -0.383 6.422 -1.205 1.00 0.00 C ATOM 675 CG1 VAL A 42 -0.586 5.374 -0.123 1.00 0.00 C ATOM 676 CG2 VAL A 42 1.003 7.040 -1.096 1.00 0.00 C ATOM 0 H VAL A 42 -0.609 7.785 -3.290 1.00 0.00 H new ATOM 0 HA VAL A 42 0.252 5.151 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.123 7.210 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.435 5.828 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.599 4.977 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.130 4.564 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.132 7.472 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.758 6.271 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.113 7.821 -1.848 1.00 0.00 H new ATOM 686 N TRP A 43 -3.002 5.660 -2.795 1.00 0.00 N ATOM 687 CA TRP A 43 -4.294 4.988 -2.865 1.00 0.00 C ATOM 688 C TRP A 43 -4.353 4.026 -4.045 1.00 0.00 C ATOM 689 O TRP A 43 -4.900 2.929 -3.937 1.00 0.00 O ATOM 690 CB TRP A 43 -5.424 6.015 -2.969 1.00 0.00 C ATOM 691 CG TRP A 43 -5.704 6.727 -1.681 1.00 0.00 C ATOM 692 CD1 TRP A 43 -5.420 6.283 -0.425 1.00 0.00 C ATOM 693 CD2 TRP A 43 -6.324 8.011 -1.524 1.00 0.00 C ATOM 694 NE1 TRP A 43 -5.824 7.207 0.507 1.00 0.00 N ATOM 695 CE2 TRP A 43 -6.381 8.279 -0.144 1.00 0.00 C ATOM 696 CE3 TRP A 43 -6.834 8.958 -2.419 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -6.928 9.447 0.362 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -7.380 10.131 -1.910 1.00 0.00 C ATOM 699 CH2 TRP A 43 -7.426 10.369 -0.559 1.00 0.00 C ATOM 0 H TRP A 43 -3.047 6.672 -2.911 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.420 4.411 -1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.168 6.749 -3.733 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.332 5.512 -3.302 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.946 5.340 -0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.726 7.112 1.518 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.804 8.781 -3.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.967 9.636 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.776 10.870 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.858 11.292 -0.201 1.00 0.00 H new ATOM 710 N THR A 44 -3.785 4.444 -5.172 1.00 0.00 N ATOM 711 CA THR A 44 -3.622 3.562 -6.321 1.00 0.00 C ATOM 712 C THR A 44 -2.741 2.367 -5.978 1.00 0.00 C ATOM 713 O THR A 44 -3.014 1.243 -6.398 1.00 0.00 O ATOM 714 CB THR A 44 -3.014 4.307 -7.523 1.00 0.00 C ATOM 715 OG1 THR A 44 -3.903 5.354 -7.940 1.00 0.00 O ATOM 716 CG2 THR A 44 -2.785 3.351 -8.684 1.00 0.00 C ATOM 0 H THR A 44 -3.430 5.390 -5.313 1.00 0.00 H new ATOM 0 HA THR A 44 -4.618 3.210 -6.590 1.00 0.00 H new ATOM 0 HB THR A 44 -2.057 4.731 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.878 6.084 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.355 3.896 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.101 2.561 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.735 2.910 -8.985 1.00 0.00 H new ATOM 724 N TYR A 45 -1.684 2.620 -5.214 1.00 0.00 N ATOM 725 CA TYR A 45 -0.793 1.555 -4.765 1.00 0.00 C ATOM 726 C TYR A 45 -1.515 0.589 -3.834 1.00 0.00 C ATOM 727 O TYR A 45 -1.276 -0.617 -3.869 1.00 0.00 O ATOM 728 CB TYR A 45 0.433 2.145 -4.062 1.00 0.00 C ATOM 729 CG TYR A 45 1.292 3.012 -4.953 1.00 0.00 C ATOM 730 CD1 TYR A 45 1.097 3.036 -6.326 1.00 0.00 C ATOM 731 CD2 TYR A 45 2.295 3.805 -4.418 1.00 0.00 C ATOM 732 CE1 TYR A 45 1.881 3.826 -7.145 1.00 0.00 C ATOM 733 CE2 TYR A 45 3.084 4.600 -5.228 1.00 0.00 C ATOM 734 CZ TYR A 45 2.874 4.608 -6.592 1.00 0.00 C ATOM 735 OH TYR A 45 3.656 5.398 -7.402 1.00 0.00 O ATOM 0 H TYR A 45 -1.423 3.552 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.466 1.000 -5.644 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.101 2.736 -3.208 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.041 1.330 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.319 2.427 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.463 3.802 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.717 3.831 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.861 5.212 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 45 3.811 6.262 -6.966 1.00 0.00 H new ATOM 745 N LYS A 46 -2.400 1.127 -3.002 1.00 0.00 N ATOM 746 CA LYS A 46 -3.215 0.305 -2.115 1.00 0.00 C ATOM 747 C LYS A 46 -4.216 -0.529 -2.902 1.00 0.00 C ATOM 748 O LYS A 46 -4.531 -1.658 -2.524 1.00 0.00 O ATOM 749 CB LYS A 46 -3.947 1.181 -1.096 1.00 0.00 C ATOM 750 CG LYS A 46 -3.052 1.762 -0.009 1.00 0.00 C ATOM 751 CD LYS A 46 -3.857 2.575 0.994 1.00 0.00 C ATOM 752 CE LYS A 46 -2.980 3.078 2.131 1.00 0.00 C ATOM 753 NZ LYS A 46 -3.770 3.808 3.161 1.00 0.00 N ATOM 0 H LYS A 46 -2.571 2.129 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.548 -0.375 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.436 2.000 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.733 0.591 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.533 0.955 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.288 2.394 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.322 3.422 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.663 1.963 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.469 2.235 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.209 3.736 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.129 4.178 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.278 4.598 2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.455 3.159 3.598 1.00 0.00 H new ATOM 767 N ASP A 47 -4.715 0.032 -3.999 1.00 0.00 N ATOM 768 CA ASP A 47 -5.597 -0.699 -4.900 1.00 0.00 C ATOM 769 C ASP A 47 -4.865 -1.857 -5.570 1.00 0.00 C ATOM 770 O ASP A 47 -5.451 -2.909 -5.823 1.00 0.00 O ATOM 771 CB ASP A 47 -6.178 0.239 -5.961 1.00 0.00 C ATOM 772 CG ASP A 47 -7.244 1.193 -5.441 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.710 0.992 -4.344 1.00 0.00 O ATOM 774 OD2 ASP A 47 -7.470 2.198 -6.071 1.00 0.00 O ATOM 0 H ASP A 47 -4.523 0.992 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.413 -1.110 -4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.367 0.822 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.605 -0.361 -6.764 1.00 0.00 H new ATOM 779 N GLU A 48 -3.584 -1.654 -5.853 1.00 0.00 N ATOM 780 CA GLU A 48 -2.739 -2.719 -6.380 1.00 0.00 C ATOM 781 C GLU A 48 -2.433 -3.760 -5.311 1.00 0.00 C ATOM 782 O GLU A 48 -2.414 -4.960 -5.586 1.00 0.00 O ATOM 783 CB GLU A 48 -1.437 -2.142 -6.940 1.00 0.00 C ATOM 784 CG GLU A 48 -1.604 -1.334 -8.219 1.00 0.00 C ATOM 785 CD GLU A 48 -2.209 -2.167 -9.315 1.00 0.00 C ATOM 786 OE1 GLU A 48 -1.694 -3.225 -9.583 1.00 0.00 O ATOM 787 OE2 GLU A 48 -3.249 -1.800 -9.809 1.00 0.00 O ATOM 0 H GLU A 48 -3.107 -0.761 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.285 -3.209 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.980 -1.507 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.744 -2.961 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.237 -0.468 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.635 -0.954 -8.541 1.00 0.00 H new ATOM 794 N ILE A 49 -2.194 -3.294 -4.090 1.00 0.00 N ATOM 795 CA ILE A 49 -1.914 -4.184 -2.970 1.00 0.00 C ATOM 796 C ILE A 49 -3.096 -5.104 -2.689 1.00 0.00 C ATOM 797 O ILE A 49 -2.919 -6.276 -2.358 1.00 0.00 O ATOM 798 CB ILE A 49 -1.574 -3.397 -1.691 1.00 0.00 C ATOM 799 CG1 ILE A 49 -0.226 -2.689 -1.844 1.00 0.00 C ATOM 800 CG2 ILE A 49 -1.559 -4.322 -0.485 1.00 0.00 C ATOM 801 CD1 ILE A 49 0.024 -1.620 -0.805 1.00 0.00 C ATOM 0 H ILE A 49 -2.189 -2.302 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.050 -4.783 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.344 -2.642 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.571 -3.430 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.173 -2.238 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.317 -3.749 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.540 -4.782 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.809 -5.099 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.999 -1.164 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.751 -0.857 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.005 -2.067 0.189 1.00 0.00 H new ATOM 813 N LYS A 50 -4.304 -4.565 -2.826 1.00 0.00 N ATOM 814 CA LYS A 50 -5.517 -5.365 -2.706 1.00 0.00 C ATOM 815 C LYS A 50 -5.445 -6.611 -3.578 1.00 0.00 C ATOM 816 O LYS A 50 -5.813 -7.704 -3.149 1.00 0.00 O ATOM 817 CB LYS A 50 -6.746 -4.532 -3.078 1.00 0.00 C ATOM 818 CG LYS A 50 -8.070 -5.273 -2.949 1.00 0.00 C ATOM 819 CD LYS A 50 -9.246 -4.363 -3.267 1.00 0.00 C ATOM 820 CE LYS A 50 -10.568 -5.113 -3.175 1.00 0.00 C ATOM 821 NZ LYS A 50 -11.729 -4.232 -3.474 1.00 0.00 N ATOM 0 H LYS A 50 -4.468 -3.577 -3.020 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.605 -5.683 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.776 -3.647 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.637 -4.184 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.077 -6.129 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.173 -5.664 -1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.254 -3.521 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.129 -3.951 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.559 -5.951 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.679 -5.532 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.609 -4.781 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.753 -3.446 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.637 -3.852 -4.438 1.00 0.00 H new ATOM 835 N THR A 51 -4.967 -6.440 -4.806 1.00 0.00 N ATOM 836 CA THR A 51 -4.759 -7.564 -5.711 1.00 0.00 C ATOM 837 C THR A 51 -3.592 -8.430 -5.255 1.00 0.00 C ATOM 838 O THR A 51 -3.639 -9.655 -5.358 1.00 0.00 O ATOM 839 CB THR A 51 -4.500 -7.088 -7.153 1.00 0.00 C ATOM 840 OG1 THR A 51 -5.644 -6.373 -7.637 1.00 0.00 O ATOM 841 CG2 THR A 51 -4.224 -8.275 -8.065 1.00 0.00 C ATOM 0 H THR A 51 -4.716 -5.532 -5.198 1.00 0.00 H new ATOM 0 HA THR A 51 -5.674 -8.155 -5.693 1.00 0.00 H new ATOM 0 HB THR A 51 -3.629 -6.433 -7.152 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.476 -6.070 -8.554 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.043 -7.920 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.346 -8.813 -7.707 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.085 -8.944 -8.063 1.00 0.00 H new ATOM 849 N PHE A 52 -2.546 -7.786 -4.750 1.00 0.00 N ATOM 850 CA PHE A 52 -1.333 -8.489 -4.351 1.00 0.00 C ATOM 851 C PHE A 52 -1.622 -9.511 -3.259 1.00 0.00 C ATOM 852 O PHE A 52 -1.002 -10.572 -3.208 1.00 0.00 O ATOM 853 CB PHE A 52 -0.272 -7.496 -3.873 1.00 0.00 C ATOM 854 CG PHE A 52 0.225 -6.575 -4.951 1.00 0.00 C ATOM 855 CD1 PHE A 52 -0.068 -6.823 -6.285 1.00 0.00 C ATOM 856 CD2 PHE A 52 0.985 -5.459 -4.635 1.00 0.00 C ATOM 857 CE1 PHE A 52 0.389 -5.976 -7.277 1.00 0.00 C ATOM 858 CE2 PHE A 52 1.441 -4.611 -5.625 1.00 0.00 C ATOM 859 CZ PHE A 52 1.143 -4.869 -6.947 1.00 0.00 C ATOM 0 H PHE A 52 -2.514 -6.777 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.954 -9.021 -5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.686 -6.899 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.573 -8.050 -3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.659 -7.687 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.223 -5.251 -3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.156 -6.181 -8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.031 -3.745 -5.364 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.499 -4.206 -7.722 1.00 0.00 H new ATOM 869 N THR A 53 -2.569 -9.184 -2.385 1.00 0.00 N ATOM 870 CA THR A 53 -2.927 -10.062 -1.278 1.00 0.00 C ATOM 871 C THR A 53 -3.787 -11.225 -1.752 1.00 0.00 C ATOM 872 O THR A 53 -3.920 -12.236 -1.061 1.00 0.00 O ATOM 873 CB THR A 53 -3.677 -9.298 -0.171 1.00 0.00 C ATOM 874 OG1 THR A 53 -4.877 -8.728 -0.710 1.00 0.00 O ATOM 875 CG2 THR A 53 -2.804 -8.191 0.399 1.00 0.00 C ATOM 0 H THR A 53 -3.103 -8.316 -2.423 1.00 0.00 H new ATOM 0 HA THR A 53 -1.993 -10.449 -0.870 1.00 0.00 H new ATOM 0 HB THR A 53 -3.926 -9.997 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.794 -8.651 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.351 -7.662 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.897 -8.624 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.538 -7.493 -0.394 1.00 0.00 H new ATOM 883 N VAL A 54 -4.373 -11.077 -2.937 1.00 0.00 N ATOM 884 CA VAL A 54 -5.126 -12.159 -3.561 1.00 0.00 C ATOM 885 C VAL A 54 -4.199 -13.126 -4.286 1.00 0.00 C ATOM 886 O VAL A 54 -4.350 -14.343 -4.179 1.00 0.00 O ATOM 887 CB VAL A 54 -6.170 -11.621 -4.555 1.00 0.00 C ATOM 888 CG1 VAL A 54 -6.845 -12.768 -5.293 1.00 0.00 C ATOM 889 CG2 VAL A 54 -7.206 -10.772 -3.834 1.00 0.00 C ATOM 0 H VAL A 54 -4.340 -10.217 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.642 -12.687 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.657 -10.994 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.580 -12.369 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.096 -13.339 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.343 -13.419 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.936 -10.400 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.713 -11.377 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.713 -9.930 -3.349 1.00 0.00 H new ATOM 899 N THR A 55 -3.239 -12.578 -5.023 1.00 0.00 N ATOM 900 CA THR A 55 -2.273 -13.391 -5.753 1.00 0.00 C ATOM 901 C THR A 55 -1.320 -14.101 -4.799 1.00 0.00 C ATOM 902 O THR A 55 -1.002 -15.275 -4.984 1.00 0.00 O ATOM 903 CB THR A 55 -1.456 -12.545 -6.744 1.00 0.00 C ATOM 904 OG1 THR A 55 -2.333 -11.961 -7.716 1.00 0.00 O ATOM 905 CG2 THR A 55 -0.419 -13.404 -7.452 1.00 0.00 C ATOM 0 H THR A 55 -3.109 -11.572 -5.131 1.00 0.00 H new ATOM 0 HA THR A 55 -2.845 -14.133 -6.311 1.00 0.00 H new ATOM 0 HB THR A 55 -0.943 -11.759 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.811 -11.421 -8.345 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.149 -12.788 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.258 -13.838 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.920 -14.203 -7.999 1.00 0.00 H new ATOM 913 N GLU A 56 -0.867 -13.380 -3.778 1.00 0.00 N ATOM 914 CA GLU A 56 0.079 -13.929 -2.814 1.00 0.00 C ATOM 915 C GLU A 56 -0.465 -13.832 -1.394 1.00 0.00 C ATOM 916 O GLU A 56 -1.259 -14.641 -1.001 1.00 0.00 O ATOM 917 CB GLU A 56 1.423 -13.205 -2.913 1.00 0.00 C ATOM 918 CG GLU A 56 2.147 -13.399 -4.237 1.00 0.00 C ATOM 919 CD GLU A 56 2.580 -14.828 -4.419 1.00 0.00 C ATOM 920 OE1 GLU A 56 3.092 -15.396 -3.484 1.00 0.00 O ATOM 921 OE2 GLU A 56 2.299 -15.386 -5.453 1.00 0.00 O ATOM 922 OXT GLU A 56 -0.098 -12.949 -0.669 1.00 0.00 O ATOM 0 H GLU A 56 -1.140 -12.414 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 56 0.226 -14.983 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.260 -12.139 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.069 -13.551 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.492 -13.108 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.018 -12.745 -4.277 1.00 0.00 H new TER 929 GLU A 56