USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 605 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 LEU N :NH3+ -167:sc= -0.0181 (180deg=-0.204) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0295) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.161 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.67 K(o=-0.67,f=-0.041) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.0122 (180deg=-0.172) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -20.9! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.014) USER MOD Single : A 37 SER OG : rot -139:sc= -2.77! USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= -0.922! (180deg=-1.44!) USER MOD Single : A 46 TYR OH : rot -150:sc= -2.2! USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -1.42! (180deg=-2.3!) USER MOD Single : A 49 GLN : amide:sc= -4.87 K(o=-4.9,f=-6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0272 (180deg=-0.235) USER MOD Single : A 58 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.3!) USER MOD Single : A 61 THR OG1 : rot -82:sc= 1.11 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.127 (180deg=-0.633) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -29.835 -13.724 -2.504 1.00 0.00 N ATOM 2 CA LEU A 1 -28.426 -13.870 -2.952 1.00 0.00 C ATOM 3 C LEU A 1 -27.859 -12.536 -3.429 1.00 0.00 C ATOM 4 O LEU A 1 -26.662 -12.277 -3.303 1.00 0.00 O ATOM 5 CB LEU A 1 -28.378 -14.899 -4.083 1.00 0.00 C ATOM 6 CG LEU A 1 -28.399 -16.362 -3.628 1.00 0.00 C ATOM 7 CD1 LEU A 1 -29.529 -17.120 -4.309 1.00 0.00 C ATOM 8 CD2 LEU A 1 -27.061 -17.029 -3.912 1.00 0.00 C ATOM 0 H1 LEU A 1 -30.125 -14.578 -1.986 1.00 0.00 H new ATOM 0 H2 LEU A 1 -29.917 -12.896 -1.880 1.00 0.00 H new ATOM 0 H3 LEU A 1 -30.451 -13.596 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 1 -27.816 -14.205 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -29.226 -14.728 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -27.475 -14.730 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 1 -28.573 -16.383 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -29.526 -18.157 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -30.483 -16.658 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -29.389 -17.089 -5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -27.095 -18.067 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -26.857 -16.995 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -26.271 -16.503 -3.375 1.00 0.00 H new ATOM 22 N LYS A 2 -28.727 -11.694 -3.981 1.00 0.00 N ATOM 23 CA LYS A 2 -28.312 -10.387 -4.477 1.00 0.00 C ATOM 24 C LYS A 2 -28.165 -9.391 -3.329 1.00 0.00 C ATOM 25 O LYS A 2 -29.075 -9.226 -2.519 1.00 0.00 O ATOM 26 CB LYS A 2 -29.323 -9.860 -5.497 1.00 0.00 C ATOM 27 CG LYS A 2 -28.910 -8.547 -6.141 1.00 0.00 C ATOM 28 CD LYS A 2 -30.089 -7.857 -6.811 1.00 0.00 C ATOM 29 CE LYS A 2 -30.551 -6.645 -6.017 1.00 0.00 C ATOM 30 NZ LYS A 2 -30.989 -7.013 -4.643 1.00 0.00 N ATOM 0 H LYS A 2 -29.721 -11.893 -4.096 1.00 0.00 H new ATOM 0 HA LYS A 2 -27.343 -10.502 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.464 -10.609 -6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -30.287 -9.727 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -28.484 -7.888 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -28.129 -8.732 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -29.807 -7.548 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -30.914 -8.562 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -29.739 -5.920 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -31.374 -6.160 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -31.421 -6.186 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -31.685 -7.784 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -30.167 -7.327 -4.089 1.00 0.00 H new ATOM 44 N LYS A 3 -27.013 -8.732 -3.270 1.00 0.00 N ATOM 45 CA LYS A 3 -26.748 -7.753 -2.222 1.00 0.00 C ATOM 46 C LYS A 3 -25.480 -6.960 -2.527 1.00 0.00 C ATOM 47 O LYS A 3 -24.916 -7.068 -3.617 1.00 0.00 O ATOM 48 CB LYS A 3 -26.617 -8.451 -0.866 1.00 0.00 C ATOM 49 CG LYS A 3 -27.466 -7.820 0.226 1.00 0.00 C ATOM 50 CD LYS A 3 -27.928 -8.854 1.239 1.00 0.00 C ATOM 51 CE LYS A 3 -29.246 -9.488 0.827 1.00 0.00 C ATOM 52 NZ LYS A 3 -30.394 -8.939 1.599 1.00 0.00 N ATOM 0 H LYS A 3 -26.249 -8.857 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.587 -7.059 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.901 -9.498 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.572 -8.435 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.892 -7.044 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.333 -7.334 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.168 -9.628 1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.039 -8.383 2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -29.412 -9.321 -0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.192 -10.566 0.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.273 -9.398 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -30.249 -9.121 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.463 -7.914 1.437 1.00 0.00 H new ATOM 66 N THR A 4 -25.037 -6.165 -1.558 1.00 0.00 N ATOM 67 CA THR A 4 -23.836 -5.356 -1.722 1.00 0.00 C ATOM 68 C THR A 4 -22.588 -6.230 -1.745 1.00 0.00 C ATOM 69 O THR A 4 -21.799 -6.177 -2.687 1.00 0.00 O ATOM 70 CB THR A 4 -23.732 -4.327 -0.595 1.00 0.00 C ATOM 71 OG1 THR A 4 -24.243 -4.855 0.615 1.00 0.00 O ATOM 72 CG2 THR A 4 -24.476 -3.042 -0.884 1.00 0.00 C ATOM 0 H THR A 4 -25.492 -6.064 -0.651 1.00 0.00 H new ATOM 0 HA THR A 4 -23.908 -4.834 -2.676 1.00 0.00 H new ATOM 0 HB THR A 4 -22.669 -4.101 -0.511 1.00 0.00 H new ATOM 0 HG1 THR A 4 -24.166 -4.183 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 4 -24.360 -2.358 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 4 -24.071 -2.582 -1.785 1.00 0.00 H new ATOM 0 HG23 THR A 4 -25.534 -3.259 -1.032 1.00 0.00 H new ATOM 80 N SER A 5 -22.417 -7.037 -0.703 1.00 0.00 N ATOM 81 CA SER A 5 -21.266 -7.927 -0.602 1.00 0.00 C ATOM 82 C SER A 5 -19.967 -7.130 -0.538 1.00 0.00 C ATOM 83 O SER A 5 -19.655 -6.356 -1.443 1.00 0.00 O ATOM 84 CB SER A 5 -21.231 -8.888 -1.793 1.00 0.00 C ATOM 85 OG SER A 5 -20.589 -10.103 -1.449 1.00 0.00 O ATOM 0 H SER A 5 -23.062 -7.093 0.085 1.00 0.00 H new ATOM 0 HA SER A 5 -21.363 -8.504 0.318 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.247 -9.093 -2.129 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.708 -8.420 -2.627 1.00 0.00 H new ATOM 0 HG SER A 5 -20.581 -10.700 -2.226 1.00 0.00 H new ATOM 91 N SER A 6 -19.212 -7.325 0.540 1.00 0.00 N ATOM 92 CA SER A 6 -17.946 -6.625 0.724 1.00 0.00 C ATOM 93 C SER A 6 -16.944 -7.499 1.470 1.00 0.00 C ATOM 94 O SER A 6 -17.204 -7.943 2.589 1.00 0.00 O ATOM 95 CB SER A 6 -18.168 -5.319 1.487 1.00 0.00 C ATOM 96 OG SER A 6 -18.691 -4.312 0.637 1.00 0.00 O ATOM 0 H SER A 6 -19.456 -7.962 1.299 1.00 0.00 H new ATOM 0 HA SER A 6 -17.539 -6.398 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.854 -5.491 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.225 -4.982 1.918 1.00 0.00 H new ATOM 0 HG SER A 6 -18.982 -4.715 -0.207 1.00 0.00 H new ATOM 102 N SER A 7 -15.798 -7.743 0.844 1.00 0.00 N ATOM 103 CA SER A 7 -14.756 -8.566 1.449 1.00 0.00 C ATOM 104 C SER A 7 -13.378 -8.175 0.922 1.00 0.00 C ATOM 105 O SER A 7 -13.252 -7.649 -0.184 1.00 0.00 O ATOM 106 CB SER A 7 -15.019 -10.047 1.172 1.00 0.00 C ATOM 107 OG SER A 7 -14.694 -10.843 2.299 1.00 0.00 O ATOM 0 H SER A 7 -15.567 -7.383 -0.082 1.00 0.00 H new ATOM 0 HA SER A 7 -14.775 -8.397 2.526 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.068 -10.191 0.912 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.430 -10.370 0.313 1.00 0.00 H new ATOM 0 HG SER A 7 -14.873 -11.785 2.097 1.00 0.00 H new ATOM 113 N GLY A 8 -12.348 -8.436 1.720 1.00 0.00 N ATOM 114 CA GLY A 8 -10.993 -8.108 1.318 1.00 0.00 C ATOM 115 C GLY A 8 -10.397 -6.991 2.155 1.00 0.00 C ATOM 116 O GLY A 8 -10.846 -6.739 3.272 1.00 0.00 O ATOM 0 H GLY A 8 -12.428 -8.870 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.367 -8.996 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.989 -7.814 0.268 1.00 0.00 H new ATOM 120 N LEU A 9 -9.387 -6.316 1.612 1.00 0.00 N ATOM 121 CA LEU A 9 -8.739 -5.222 2.314 1.00 0.00 C ATOM 122 C LEU A 9 -8.356 -4.130 1.335 1.00 0.00 C ATOM 123 O LEU A 9 -7.879 -4.408 0.237 1.00 0.00 O ATOM 124 CB LEU A 9 -7.497 -5.717 3.058 1.00 0.00 C ATOM 125 CG LEU A 9 -7.750 -6.279 4.462 1.00 0.00 C ATOM 126 CD1 LEU A 9 -8.594 -5.316 5.284 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.419 -7.644 4.378 1.00 0.00 C ATOM 0 H LEU A 9 -9.003 -6.511 0.687 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.441 -4.818 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.019 -6.490 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.789 -4.892 3.138 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.789 -6.398 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.761 -5.735 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.073 -4.363 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.553 -5.160 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.591 -8.027 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.372 -7.551 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.774 -8.333 3.833 1.00 0.00 H new ATOM 139 N TYR A 10 -8.565 -2.888 1.735 1.00 0.00 N ATOM 140 CA TYR A 10 -8.236 -1.761 0.887 1.00 0.00 C ATOM 141 C TYR A 10 -6.937 -1.124 1.344 1.00 0.00 C ATOM 142 O TYR A 10 -6.890 -0.436 2.364 1.00 0.00 O ATOM 143 CB TYR A 10 -9.376 -0.745 0.900 1.00 0.00 C ATOM 144 CG TYR A 10 -10.730 -1.372 0.643 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.095 -1.774 -0.632 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.638 -1.561 1.674 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.328 -2.348 -0.875 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.873 -2.136 1.440 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.215 -2.525 0.164 1.00 0.00 C ATOM 150 OH TYR A 10 -14.442 -3.098 -0.074 1.00 0.00 O ATOM 0 H TYR A 10 -8.961 -2.637 2.641 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.102 -2.112 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.393 -0.239 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.185 0.017 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.403 -1.636 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.376 -1.254 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.595 -2.657 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.567 -2.280 2.255 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.946 -3.151 0.765 1.00 0.00 H new ATOM 160 N LYS A 11 -5.884 -1.356 0.577 1.00 0.00 N ATOM 161 CA LYS A 11 -4.570 -0.800 0.895 1.00 0.00 C ATOM 162 C LYS A 11 -4.026 -0.007 -0.288 1.00 0.00 C ATOM 163 O LYS A 11 -4.381 -0.275 -1.437 1.00 0.00 O ATOM 164 CB LYS A 11 -3.596 -1.919 1.271 1.00 0.00 C ATOM 165 CG LYS A 11 -4.189 -2.945 2.224 1.00 0.00 C ATOM 166 CD LYS A 11 -3.453 -4.273 2.146 1.00 0.00 C ATOM 167 CE LYS A 11 -3.873 -5.211 3.265 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.946 -5.140 4.428 1.00 0.00 N ATOM 0 H LYS A 11 -5.909 -1.924 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.677 -0.127 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.269 -2.425 0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.710 -1.480 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.145 -2.563 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.242 -3.097 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.651 -4.743 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.379 -4.098 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.883 -4.959 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.905 -6.233 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.268 -5.795 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.987 -5.405 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.934 -4.170 4.804 1.00 0.00 H new ATOM 182 N VAL A 12 -3.163 0.972 -0.012 1.00 0.00 N ATOM 183 CA VAL A 12 -2.591 1.786 -1.081 1.00 0.00 C ATOM 184 C VAL A 12 -1.124 1.416 -1.304 1.00 0.00 C ATOM 185 O VAL A 12 -0.398 1.160 -0.354 1.00 0.00 O ATOM 186 CB VAL A 12 -2.705 3.308 -0.795 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.079 4.061 -2.055 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.725 3.617 0.293 1.00 0.00 C ATOM 0 H VAL A 12 -2.850 1.217 0.927 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.168 1.575 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.725 3.633 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.154 5.126 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.314 3.901 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.038 3.699 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.768 4.694 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.707 3.257 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.432 3.121 1.218 1.00 0.00 H new ATOM 198 N GLN A 13 -0.703 1.368 -2.564 1.00 0.00 N ATOM 199 CA GLN A 13 0.676 1.009 -2.899 1.00 0.00 C ATOM 200 C GLN A 13 1.257 1.960 -3.938 1.00 0.00 C ATOM 201 O GLN A 13 0.600 2.286 -4.926 1.00 0.00 O ATOM 202 CB GLN A 13 0.735 -0.429 -3.416 1.00 0.00 C ATOM 203 CG GLN A 13 2.145 -0.996 -3.479 1.00 0.00 C ATOM 204 CD GLN A 13 2.164 -2.512 -3.502 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.098 -3.128 -4.566 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.253 -3.121 -2.325 1.00 0.00 N ATOM 0 H GLN A 13 -1.293 1.572 -3.370 1.00 0.00 H new ATOM 0 HA GLN A 13 1.275 1.090 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.126 -1.063 -2.772 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.292 -0.467 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.646 -0.617 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.714 -0.642 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.305 -2.570 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.269 -4.140 -2.278 1.00 0.00 H new ATOM 215 N ILE A 14 2.482 2.416 -3.705 1.00 0.00 N ATOM 216 CA ILE A 14 3.129 3.346 -4.622 1.00 0.00 C ATOM 217 C ILE A 14 4.235 2.698 -5.456 1.00 0.00 C ATOM 218 O ILE A 14 4.788 3.343 -6.347 1.00 0.00 O ATOM 219 CB ILE A 14 3.713 4.562 -3.878 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.667 4.096 -2.769 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.590 5.433 -3.331 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.220 4.437 -1.364 1.00 0.00 C ATOM 0 H ILE A 14 3.044 2.159 -2.894 1.00 0.00 H new ATOM 0 HA ILE A 14 2.341 3.672 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 14 4.290 5.169 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.789 3.015 -2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.647 4.540 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.016 6.289 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.968 5.784 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.982 4.850 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.955 4.069 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.127 5.518 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.255 3.970 -1.166 1.00 0.00 H new ATOM 234 N GLY A 15 4.553 1.425 -5.200 1.00 0.00 N ATOM 235 CA GLY A 15 5.586 0.780 -6.001 1.00 0.00 C ATOM 236 C GLY A 15 6.248 -0.416 -5.341 1.00 0.00 C ATOM 237 O GLY A 15 5.995 -0.728 -4.178 1.00 0.00 O ATOM 0 H GLY A 15 4.129 0.845 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.146 0.459 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.353 1.516 -6.240 1.00 0.00 H new ATOM 241 N ALA A 16 7.132 -1.060 -6.105 1.00 0.00 N ATOM 242 CA ALA A 16 7.899 -2.212 -5.639 1.00 0.00 C ATOM 243 C ALA A 16 9.227 -2.269 -6.394 1.00 0.00 C ATOM 244 O ALA A 16 9.294 -1.855 -7.552 1.00 0.00 O ATOM 245 CB ALA A 16 7.115 -3.505 -5.827 1.00 0.00 C ATOM 0 H ALA A 16 7.336 -0.794 -7.069 1.00 0.00 H new ATOM 0 HA ALA A 16 8.094 -2.102 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.710 -4.346 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.186 -3.453 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.888 -3.642 -6.884 1.00 0.00 H new ATOM 251 N PHE A 17 10.285 -2.767 -5.758 1.00 0.00 N ATOM 252 CA PHE A 17 11.586 -2.839 -6.418 1.00 0.00 C ATOM 253 C PHE A 17 12.435 -3.970 -5.853 1.00 0.00 C ATOM 254 O PHE A 17 12.298 -4.343 -4.691 1.00 0.00 O ATOM 255 CB PHE A 17 12.338 -1.515 -6.269 1.00 0.00 C ATOM 256 CG PHE A 17 11.468 -0.302 -6.424 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.783 0.219 -5.337 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.334 0.320 -7.655 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.984 1.335 -5.475 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.535 1.437 -7.800 1.00 0.00 C ATOM 261 CZ PHE A 17 9.858 1.946 -6.708 1.00 0.00 C ATOM 0 H PHE A 17 10.269 -3.121 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 17 11.404 -3.036 -7.474 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.813 -1.487 -5.288 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.135 -1.476 -7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.876 -0.254 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.861 -0.074 -8.512 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.457 1.731 -4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.439 1.912 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.232 2.819 -6.818 1.00 0.00 H new ATOM 271 N LYS A 18 13.323 -4.503 -6.686 1.00 0.00 N ATOM 272 CA LYS A 18 14.207 -5.586 -6.275 1.00 0.00 C ATOM 273 C LYS A 18 15.105 -5.163 -5.111 1.00 0.00 C ATOM 274 O LYS A 18 15.722 -6.005 -4.459 1.00 0.00 O ATOM 275 CB LYS A 18 15.069 -6.040 -7.455 1.00 0.00 C ATOM 276 CG LYS A 18 15.587 -7.463 -7.317 1.00 0.00 C ATOM 277 CD LYS A 18 17.034 -7.578 -7.768 1.00 0.00 C ATOM 278 CE LYS A 18 17.998 -7.174 -6.663 1.00 0.00 C ATOM 279 NZ LYS A 18 18.588 -5.828 -6.906 1.00 0.00 N ATOM 0 H LYS A 18 13.449 -4.201 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 18 13.584 -6.415 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.485 -5.962 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.916 -5.362 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.503 -7.782 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.966 -8.136 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.240 -8.604 -8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.195 -6.946 -8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.475 -7.174 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.796 -7.913 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 19.392 -5.680 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.916 -5.765 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.868 -5.097 -6.733 1.00 0.00 H new ATOM 293 N VAL A 19 15.183 -3.857 -4.857 1.00 0.00 N ATOM 294 CA VAL A 19 16.016 -3.343 -3.777 1.00 0.00 C ATOM 295 C VAL A 19 15.178 -2.828 -2.611 1.00 0.00 C ATOM 296 O VAL A 19 14.276 -2.010 -2.788 1.00 0.00 O ATOM 297 CB VAL A 19 16.927 -2.205 -4.271 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.930 -1.817 -3.196 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.638 -2.608 -5.555 1.00 0.00 C ATOM 0 H VAL A 19 14.681 -3.141 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 19 16.626 -4.178 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 19 16.306 -1.335 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.565 -1.011 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.398 -1.482 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.547 -2.680 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.277 -1.791 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.247 -3.493 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.900 -2.829 -6.326 1.00 0.00 H new ATOM 309 N LYS A 20 15.493 -3.314 -1.414 1.00 0.00 N ATOM 310 CA LYS A 20 14.790 -2.913 -0.205 1.00 0.00 C ATOM 311 C LYS A 20 15.140 -1.478 0.159 1.00 0.00 C ATOM 312 O LYS A 20 14.282 -0.716 0.593 1.00 0.00 O ATOM 313 CB LYS A 20 15.147 -3.846 0.952 1.00 0.00 C ATOM 314 CG LYS A 20 14.413 -3.521 2.245 1.00 0.00 C ATOM 315 CD LYS A 20 15.381 -3.199 3.373 1.00 0.00 C ATOM 316 CE LYS A 20 15.503 -1.701 3.594 1.00 0.00 C ATOM 317 NZ LYS A 20 16.856 -1.318 4.084 1.00 0.00 N ATOM 0 H LYS A 20 16.238 -3.993 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 20 13.718 -2.978 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.920 -4.872 0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.221 -3.795 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.747 -2.673 2.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.788 -4.367 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.042 -3.677 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.362 -3.614 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.294 -1.179 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.752 -1.378 4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.897 -0.288 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.046 -1.796 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.572 -1.602 3.385 1.00 0.00 H new ATOM 331 N ALA A 21 16.405 -1.107 -0.038 1.00 0.00 N ATOM 332 CA ALA A 21 16.846 0.250 0.255 1.00 0.00 C ATOM 333 C ALA A 21 16.013 1.242 -0.542 1.00 0.00 C ATOM 334 O ALA A 21 15.707 2.340 -0.073 1.00 0.00 O ATOM 335 CB ALA A 21 18.324 0.412 -0.063 1.00 0.00 C ATOM 0 H ALA A 21 17.134 -1.723 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 21 16.708 0.447 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.635 1.432 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.905 -0.286 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.493 0.206 -1.120 1.00 0.00 H new ATOM 341 N ASN A 22 15.620 0.824 -1.740 1.00 0.00 N ATOM 342 CA ASN A 22 14.790 1.649 -2.599 1.00 0.00 C ATOM 343 C ASN A 22 13.362 1.632 -2.077 1.00 0.00 C ATOM 344 O ASN A 22 12.642 2.627 -2.168 1.00 0.00 O ATOM 345 CB ASN A 22 14.834 1.138 -4.041 1.00 0.00 C ATOM 346 CG ASN A 22 16.120 1.515 -4.749 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.209 1.114 -4.337 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.001 2.290 -5.820 1.00 0.00 N ATOM 0 H ASN A 22 15.865 -0.084 -2.136 1.00 0.00 H new ATOM 0 HA ASN A 22 15.169 2.671 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.726 0.053 -4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.986 1.543 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.832 2.577 -6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.078 2.599 -6.126 1.00 0.00 H new ATOM 355 N ALA A 23 12.965 0.493 -1.511 1.00 0.00 N ATOM 356 CA ALA A 23 11.625 0.353 -0.954 1.00 0.00 C ATOM 357 C ALA A 23 11.501 1.122 0.363 1.00 0.00 C ATOM 358 O ALA A 23 10.396 1.423 0.816 1.00 0.00 O ATOM 359 CB ALA A 23 11.288 -1.117 -0.748 1.00 0.00 C ATOM 0 H ALA A 23 13.549 -0.339 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 23 10.913 0.777 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.285 -1.205 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.331 -1.638 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.007 -1.562 -0.060 1.00 0.00 H new ATOM 365 N ASP A 24 12.644 1.441 0.967 1.00 0.00 N ATOM 366 CA ASP A 24 12.670 2.177 2.226 1.00 0.00 C ATOM 367 C ASP A 24 12.581 3.676 1.969 1.00 0.00 C ATOM 368 O ASP A 24 11.930 4.409 2.714 1.00 0.00 O ATOM 369 CB ASP A 24 13.945 1.852 3.008 1.00 0.00 C ATOM 370 CG ASP A 24 13.701 0.855 4.123 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.952 -0.119 3.896 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.258 1.047 5.224 1.00 0.00 O ATOM 0 H ASP A 24 13.566 1.200 0.602 1.00 0.00 H new ATOM 0 HA ASP A 24 11.808 1.873 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.695 1.453 2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.354 2.771 3.429 1.00 0.00 H new ATOM 377 N SER A 25 13.224 4.125 0.895 1.00 0.00 N ATOM 378 CA SER A 25 13.197 5.534 0.530 1.00 0.00 C ATOM 379 C SER A 25 11.788 5.923 0.105 1.00 0.00 C ATOM 380 O SER A 25 11.304 7.012 0.418 1.00 0.00 O ATOM 381 CB SER A 25 14.185 5.813 -0.606 1.00 0.00 C ATOM 382 OG SER A 25 14.813 7.073 -0.439 1.00 0.00 O ATOM 0 H SER A 25 13.768 3.535 0.266 1.00 0.00 H new ATOM 0 HA SER A 25 13.491 6.129 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.941 5.028 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.661 5.788 -1.562 1.00 0.00 H new ATOM 0 HG SER A 25 15.440 7.226 -1.176 1.00 0.00 H new ATOM 388 N LEU A 26 11.132 5.006 -0.595 1.00 0.00 N ATOM 389 CA LEU A 26 9.771 5.218 -1.060 1.00 0.00 C ATOM 390 C LEU A 26 8.816 5.299 0.130 1.00 0.00 C ATOM 391 O LEU A 26 8.047 6.254 0.264 1.00 0.00 O ATOM 392 CB LEU A 26 9.363 4.077 -1.994 1.00 0.00 C ATOM 393 CG LEU A 26 7.987 4.213 -2.644 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.910 5.464 -3.504 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.674 2.979 -3.478 1.00 0.00 C ATOM 0 H LEU A 26 11.526 4.102 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 26 9.721 6.159 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.110 3.993 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.388 3.144 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 26 7.245 4.302 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.920 5.536 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.092 6.343 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.663 5.412 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.691 3.089 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.427 2.867 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.680 2.096 -2.838 1.00 0.00 H new ATOM 407 N ALA A 27 8.892 4.303 1.006 1.00 0.00 N ATOM 408 CA ALA A 27 8.052 4.272 2.198 1.00 0.00 C ATOM 409 C ALA A 27 8.285 5.522 3.043 1.00 0.00 C ATOM 410 O ALA A 27 7.419 5.938 3.814 1.00 0.00 O ATOM 411 CB ALA A 27 8.336 3.015 3.009 1.00 0.00 C ATOM 0 H ALA A 27 9.525 3.508 0.914 1.00 0.00 H new ATOM 0 HA ALA A 27 7.006 4.255 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.703 3.004 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.125 2.135 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.383 3.006 3.311 1.00 0.00 H new ATOM 417 N SER A 28 9.464 6.118 2.883 1.00 0.00 N ATOM 418 CA SER A 28 9.820 7.325 3.617 1.00 0.00 C ATOM 419 C SER A 28 9.040 8.524 3.088 1.00 0.00 C ATOM 420 O SER A 28 8.563 9.358 3.861 1.00 0.00 O ATOM 421 CB SER A 28 11.324 7.589 3.509 1.00 0.00 C ATOM 422 OG SER A 28 11.868 7.960 4.764 1.00 0.00 O ATOM 0 H SER A 28 10.189 5.782 2.249 1.00 0.00 H new ATOM 0 HA SER A 28 9.562 7.177 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.828 6.695 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.506 8.380 2.782 1.00 0.00 H new ATOM 0 HG SER A 28 12.830 8.121 4.669 1.00 0.00 H new ATOM 428 N ASN A 29 8.903 8.601 1.766 1.00 0.00 N ATOM 429 CA ASN A 29 8.173 9.695 1.141 1.00 0.00 C ATOM 430 C ASN A 29 6.731 9.724 1.635 1.00 0.00 C ATOM 431 O ASN A 29 6.208 10.776 2.000 1.00 0.00 O ATOM 432 CB ASN A 29 8.225 9.572 -0.391 1.00 0.00 C ATOM 433 CG ASN A 29 7.095 8.744 -0.980 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.918 9.046 -0.789 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.451 7.703 -1.713 1.00 0.00 N ATOM 0 H ASN A 29 9.287 7.920 1.111 1.00 0.00 H new ATOM 0 HA ASN A 29 8.648 10.635 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.196 10.570 -0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.177 9.126 -0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.738 7.116 -2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.439 7.487 -1.847 1.00 0.00 H new ATOM 442 N ALA A 30 6.096 8.557 1.642 1.00 0.00 N ATOM 443 CA ALA A 30 4.716 8.451 2.092 1.00 0.00 C ATOM 444 C ALA A 30 4.594 8.896 3.540 1.00 0.00 C ATOM 445 O ALA A 30 3.647 9.589 3.911 1.00 0.00 O ATOM 446 CB ALA A 30 4.215 7.027 1.928 1.00 0.00 C ATOM 0 H ALA A 30 6.514 7.676 1.342 1.00 0.00 H new ATOM 0 HA ALA A 30 4.099 9.107 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.182 6.963 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.269 6.741 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.834 6.353 2.520 1.00 0.00 H new ATOM 452 N GLU A 31 5.566 8.496 4.355 1.00 0.00 N ATOM 453 CA GLU A 31 5.570 8.861 5.767 1.00 0.00 C ATOM 454 C GLU A 31 5.482 10.374 5.922 1.00 0.00 C ATOM 455 O GLU A 31 4.823 10.882 6.830 1.00 0.00 O ATOM 456 CB GLU A 31 6.833 8.334 6.449 1.00 0.00 C ATOM 457 CG GLU A 31 6.909 8.667 7.928 1.00 0.00 C ATOM 458 CD GLU A 31 8.135 8.075 8.599 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.316 6.842 8.518 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.911 8.845 9.202 1.00 0.00 O ATOM 0 H GLU A 31 6.357 7.922 4.063 1.00 0.00 H new ATOM 0 HA GLU A 31 4.701 8.409 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.878 7.252 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.707 8.748 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.919 9.750 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.013 8.297 8.426 1.00 0.00 H new ATOM 467 N ALA A 32 6.142 11.086 5.015 1.00 0.00 N ATOM 468 CA ALA A 32 6.140 12.544 5.026 1.00 0.00 C ATOM 469 C ALA A 32 4.712 13.070 5.043 1.00 0.00 C ATOM 470 O ALA A 32 4.349 13.883 5.891 1.00 0.00 O ATOM 471 CB ALA A 32 6.894 13.086 3.820 1.00 0.00 C ATOM 0 H ALA A 32 6.688 10.674 4.259 1.00 0.00 H new ATOM 0 HA ALA A 32 6.646 12.886 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.883 14.176 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.925 12.733 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.415 12.738 2.905 1.00 0.00 H new ATOM 477 N LYS A 33 3.897 12.580 4.112 1.00 0.00 N ATOM 478 CA LYS A 33 2.501 12.988 4.049 1.00 0.00 C ATOM 479 C LYS A 33 1.799 12.564 5.331 1.00 0.00 C ATOM 480 O LYS A 33 0.845 13.201 5.777 1.00 0.00 O ATOM 481 CB LYS A 33 1.809 12.360 2.843 1.00 0.00 C ATOM 482 CG LYS A 33 2.277 12.921 1.513 1.00 0.00 C ATOM 483 CD LYS A 33 1.980 14.410 1.399 1.00 0.00 C ATOM 484 CE LYS A 33 3.247 15.243 1.516 1.00 0.00 C ATOM 485 NZ LYS A 33 3.251 16.382 0.557 1.00 0.00 N ATOM 0 H LYS A 33 4.178 11.907 3.399 1.00 0.00 H new ATOM 0 HA LYS A 33 2.452 14.072 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.982 11.284 2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.733 12.511 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.348 12.753 1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.786 12.388 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.497 14.613 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.278 14.703 2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.339 15.624 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.116 14.611 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.098 16.965 0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.257 16.016 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.400 16.962 0.703 1.00 0.00 H new ATOM 499 N GLY A 34 2.302 11.485 5.927 1.00 0.00 N ATOM 500 CA GLY A 34 1.747 10.983 7.161 1.00 0.00 C ATOM 501 C GLY A 34 1.011 9.672 6.977 1.00 0.00 C ATOM 502 O GLY A 34 0.033 9.397 7.673 1.00 0.00 O ATOM 0 H GLY A 34 3.092 10.949 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.549 10.847 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.064 11.724 7.576 1.00 0.00 H new ATOM 506 N PHE A 35 1.487 8.857 6.043 1.00 0.00 N ATOM 507 CA PHE A 35 0.875 7.568 5.779 1.00 0.00 C ATOM 508 C PHE A 35 1.676 6.449 6.429 1.00 0.00 C ATOM 509 O PHE A 35 2.861 6.604 6.716 1.00 0.00 O ATOM 510 CB PHE A 35 0.773 7.337 4.273 1.00 0.00 C ATOM 511 CG PHE A 35 0.249 8.525 3.522 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.681 9.374 4.103 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.693 8.797 2.244 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.158 10.470 3.415 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.221 9.895 1.550 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.708 10.732 2.137 1.00 0.00 C ATOM 0 H PHE A 35 2.295 9.069 5.458 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.127 7.566 6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.758 7.077 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.122 6.483 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.035 9.175 5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.418 8.144 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.884 11.123 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.578 10.098 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.081 11.590 1.597 1.00 0.00 H new ATOM 526 N ASP A 36 1.021 5.317 6.645 1.00 0.00 N ATOM 527 CA ASP A 36 1.674 4.166 7.247 1.00 0.00 C ATOM 528 C ASP A 36 2.339 3.324 6.168 1.00 0.00 C ATOM 529 O ASP A 36 1.691 2.490 5.536 1.00 0.00 O ATOM 530 CB ASP A 36 0.661 3.322 8.024 1.00 0.00 C ATOM 531 CG ASP A 36 0.375 3.886 9.401 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.294 3.889 10.246 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.771 4.326 9.635 1.00 0.00 O ATOM 0 H ASP A 36 0.039 5.172 6.412 1.00 0.00 H new ATOM 0 HA ASP A 36 2.435 4.520 7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.269 3.263 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.039 2.305 8.122 1.00 0.00 H new ATOM 538 N SER A 37 3.627 3.559 5.941 1.00 0.00 N ATOM 539 CA SER A 37 4.359 2.832 4.914 1.00 0.00 C ATOM 540 C SER A 37 4.784 1.461 5.416 1.00 0.00 C ATOM 541 O SER A 37 4.872 1.223 6.621 1.00 0.00 O ATOM 542 CB SER A 37 5.584 3.631 4.472 1.00 0.00 C ATOM 543 OG SER A 37 6.650 3.480 5.392 1.00 0.00 O ATOM 0 H SER A 37 4.182 4.245 6.453 1.00 0.00 H new ATOM 0 HA SER A 37 3.697 2.694 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.902 3.298 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.322 4.685 4.384 1.00 0.00 H new ATOM 0 HG SER A 37 7.093 4.344 5.524 1.00 0.00 H new ATOM 549 N ILE A 38 5.018 0.556 4.476 1.00 0.00 N ATOM 550 CA ILE A 38 5.407 -0.807 4.805 1.00 0.00 C ATOM 551 C ILE A 38 6.131 -1.459 3.629 1.00 0.00 C ATOM 552 O ILE A 38 5.764 -1.256 2.472 1.00 0.00 O ATOM 553 CB ILE A 38 4.159 -1.639 5.176 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.448 -3.143 5.093 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.994 -1.262 4.268 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.738 -3.954 6.156 1.00 0.00 C ATOM 0 H ILE A 38 4.945 0.743 3.476 1.00 0.00 H new ATOM 0 HA ILE A 38 6.085 -0.775 5.658 1.00 0.00 H new ATOM 0 HB ILE A 38 3.890 -1.413 6.208 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.151 -3.508 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.522 -3.304 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.118 -1.853 4.536 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.768 -0.203 4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.262 -1.461 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.988 -5.008 6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.053 -3.615 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.661 -3.823 6.055 1.00 0.00 H new ATOM 568 N VAL A 39 7.164 -2.239 3.933 1.00 0.00 N ATOM 569 CA VAL A 39 7.936 -2.912 2.897 1.00 0.00 C ATOM 570 C VAL A 39 7.854 -4.430 3.035 1.00 0.00 C ATOM 571 O VAL A 39 8.308 -4.993 4.031 1.00 0.00 O ATOM 572 CB VAL A 39 9.414 -2.487 2.936 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.159 -3.034 1.728 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.535 -0.972 3.004 1.00 0.00 C ATOM 0 H VAL A 39 7.484 -2.419 4.885 1.00 0.00 H new ATOM 0 HA VAL A 39 7.501 -2.616 1.942 1.00 0.00 H new ATOM 0 HB VAL A 39 9.868 -2.904 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.203 -2.723 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.104 -4.123 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.705 -2.649 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.588 -0.692 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.064 -0.530 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.040 -0.607 3.904 1.00 0.00 H new ATOM 584 N LEU A 40 7.279 -5.090 2.031 1.00 0.00 N ATOM 585 CA LEU A 40 7.151 -6.543 2.050 1.00 0.00 C ATOM 586 C LEU A 40 7.943 -7.159 0.902 1.00 0.00 C ATOM 587 O LEU A 40 7.815 -6.745 -0.249 1.00 0.00 O ATOM 588 CB LEU A 40 5.671 -6.951 1.969 1.00 0.00 C ATOM 589 CG LEU A 40 5.359 -8.184 1.107 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.219 -9.373 1.522 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.880 -8.535 1.199 1.00 0.00 C ATOM 0 H LEU A 40 6.896 -4.642 1.198 1.00 0.00 H new ATOM 0 HA LEU A 40 7.559 -6.918 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.310 -7.139 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.103 -6.107 1.579 1.00 0.00 H new ATOM 0 HG LEU A 40 5.596 -7.943 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.978 -10.232 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.272 -9.120 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.022 -9.618 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.675 -9.410 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.621 -8.752 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.284 -7.694 0.845 1.00 0.00 H new ATOM 603 N LEU A 41 8.772 -8.144 1.230 1.00 0.00 N ATOM 604 CA LEU A 41 9.595 -8.808 0.229 1.00 0.00 C ATOM 605 C LEU A 41 8.904 -10.031 -0.366 1.00 0.00 C ATOM 606 O LEU A 41 8.646 -11.016 0.326 1.00 0.00 O ATOM 607 CB LEU A 41 10.933 -9.231 0.842 1.00 0.00 C ATOM 608 CG LEU A 41 11.815 -10.096 -0.065 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.845 -9.526 -1.470 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.223 -10.209 0.502 1.00 0.00 C ATOM 0 H LEU A 41 8.891 -8.499 2.179 1.00 0.00 H new ATOM 0 HA LEU A 41 9.761 -8.091 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.489 -8.335 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.736 -9.780 1.763 1.00 0.00 H new ATOM 0 HG LEU A 41 11.388 -11.098 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.475 -10.151 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.833 -9.503 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.248 -8.514 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.832 -10.827 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.665 -9.216 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.181 -10.665 1.491 1.00 0.00 H new ATOM 622 N LYS A 42 8.657 -9.976 -1.670 1.00 0.00 N ATOM 623 CA LYS A 42 8.054 -11.087 -2.390 1.00 0.00 C ATOM 624 C LYS A 42 9.106 -11.673 -3.318 1.00 0.00 C ATOM 625 O LYS A 42 10.011 -10.954 -3.733 1.00 0.00 O ATOM 626 CB LYS A 42 6.829 -10.636 -3.189 1.00 0.00 C ATOM 627 CG LYS A 42 7.184 -9.904 -4.468 1.00 0.00 C ATOM 628 CD LYS A 42 7.479 -10.871 -5.606 1.00 0.00 C ATOM 629 CE LYS A 42 8.795 -10.552 -6.271 1.00 0.00 C ATOM 630 NZ LYS A 42 8.748 -10.798 -7.741 1.00 0.00 N ATOM 0 H LYS A 42 8.868 -9.166 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 42 7.712 -11.838 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.222 -11.508 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.216 -9.986 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.361 -9.248 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.053 -9.269 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.501 -11.891 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.677 -10.825 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.052 -9.509 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.583 -11.159 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.698 -11.051 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.089 -11.578 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.424 -9.937 -8.227 1.00 0.00 H new ATOM 644 N ASP A 43 9.002 -12.966 -3.626 1.00 0.00 N ATOM 645 CA ASP A 43 9.980 -13.635 -4.493 1.00 0.00 C ATOM 646 C ASP A 43 11.375 -13.018 -4.316 1.00 0.00 C ATOM 647 O ASP A 43 12.177 -13.495 -3.512 1.00 0.00 O ATOM 648 CB ASP A 43 9.545 -13.585 -5.964 1.00 0.00 C ATOM 649 CG ASP A 43 9.276 -14.964 -6.534 1.00 0.00 C ATOM 650 OD1 ASP A 43 10.247 -15.728 -6.720 1.00 0.00 O ATOM 651 OD2 ASP A 43 8.096 -15.279 -6.792 1.00 0.00 O ATOM 0 H ASP A 43 8.253 -13.572 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 43 10.028 -14.683 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.646 -12.976 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.321 -13.096 -6.553 1.00 0.00 H new ATOM 656 N GLY A 44 11.648 -11.941 -5.055 1.00 0.00 N ATOM 657 CA GLY A 44 12.920 -11.258 -4.953 1.00 0.00 C ATOM 658 C GLY A 44 12.769 -9.741 -5.003 1.00 0.00 C ATOM 659 O GLY A 44 13.761 -9.020 -5.121 1.00 0.00 O ATOM 0 H GLY A 44 11.000 -11.530 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.408 -11.542 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.570 -11.583 -5.765 1.00 0.00 H new ATOM 663 N LEU A 45 11.526 -9.249 -4.915 1.00 0.00 N ATOM 664 CA LEU A 45 11.265 -7.809 -4.951 1.00 0.00 C ATOM 665 C LEU A 45 10.634 -7.320 -3.652 1.00 0.00 C ATOM 666 O LEU A 45 10.080 -8.102 -2.885 1.00 0.00 O ATOM 667 CB LEU A 45 10.336 -7.441 -6.114 1.00 0.00 C ATOM 668 CG LEU A 45 10.607 -8.159 -7.434 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.738 -7.580 -8.541 1.00 0.00 C ATOM 670 CD2 LEU A 45 12.079 -8.047 -7.799 1.00 0.00 C ATOM 0 H LEU A 45 10.691 -9.826 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 45 12.231 -7.323 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.309 -7.649 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.407 -6.367 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 45 10.357 -9.213 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.943 -8.102 -9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.687 -7.702 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.961 -6.520 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.260 -8.563 -8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.349 -6.996 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.684 -8.502 -7.015 1.00 0.00 H new ATOM 682 N TYR A 46 10.706 -6.013 -3.432 1.00 0.00 N ATOM 683 CA TYR A 46 10.129 -5.397 -2.246 1.00 0.00 C ATOM 684 C TYR A 46 9.009 -4.441 -2.642 1.00 0.00 C ATOM 685 O TYR A 46 9.143 -3.684 -3.603 1.00 0.00 O ATOM 686 CB TYR A 46 11.202 -4.640 -1.456 1.00 0.00 C ATOM 687 CG TYR A 46 12.191 -5.544 -0.756 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.110 -6.290 -1.478 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.203 -5.650 0.630 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.016 -7.117 -0.841 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.107 -6.474 1.275 1.00 0.00 C ATOM 692 CZ TYR A 46 14.011 -7.206 0.535 1.00 0.00 C ATOM 693 OH TYR A 46 14.911 -8.028 1.172 1.00 0.00 O ATOM 0 H TYR A 46 11.162 -5.356 -4.065 1.00 0.00 H new ATOM 0 HA TYR A 46 9.720 -6.186 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.743 -3.981 -2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.716 -4.005 -0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.118 -6.224 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.495 -5.080 1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.725 -7.691 -1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.105 -6.544 2.353 1.00 0.00 H new ATOM 0 HH TYR A 46 14.519 -8.356 2.008 1.00 0.00 H new ATOM 703 N LYS A 47 7.911 -4.480 -1.901 1.00 0.00 N ATOM 704 CA LYS A 47 6.770 -3.617 -2.179 1.00 0.00 C ATOM 705 C LYS A 47 6.642 -2.525 -1.139 1.00 0.00 C ATOM 706 O LYS A 47 6.955 -2.725 0.032 1.00 0.00 O ATOM 707 CB LYS A 47 5.480 -4.429 -2.223 1.00 0.00 C ATOM 708 CG LYS A 47 5.207 -5.048 -3.577 1.00 0.00 C ATOM 709 CD LYS A 47 6.146 -6.208 -3.842 1.00 0.00 C ATOM 710 CE LYS A 47 5.732 -7.438 -3.057 1.00 0.00 C ATOM 711 NZ LYS A 47 4.608 -8.164 -3.711 1.00 0.00 N ATOM 0 H LYS A 47 7.785 -5.101 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 47 6.939 -3.155 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.531 -5.219 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.644 -3.785 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.174 -5.394 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.325 -4.295 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.152 -6.438 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.163 -5.925 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.586 -8.108 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.436 -7.143 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.575 -9.142 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.711 -7.686 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.752 -8.171 -4.741 1.00 0.00 H new ATOM 725 N VAL A 48 6.169 -1.369 -1.578 1.00 0.00 N ATOM 726 CA VAL A 48 5.980 -0.237 -0.695 1.00 0.00 C ATOM 727 C VAL A 48 4.509 0.154 -0.633 1.00 0.00 C ATOM 728 O VAL A 48 3.991 0.814 -1.533 1.00 0.00 O ATOM 729 CB VAL A 48 6.826 0.961 -1.150 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.610 2.153 -0.226 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.297 0.579 -1.205 1.00 0.00 C ATOM 0 H VAL A 48 5.908 -1.193 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 48 6.307 -0.531 0.302 1.00 0.00 H new ATOM 0 HB VAL A 48 6.508 1.249 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.218 2.991 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.558 2.439 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.899 1.883 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.884 1.438 -1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.629 0.265 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.434 -0.241 -1.910 1.00 0.00 H new ATOM 741 N GLN A 49 3.843 -0.272 0.432 1.00 0.00 N ATOM 742 CA GLN A 49 2.427 0.015 0.619 1.00 0.00 C ATOM 743 C GLN A 49 2.220 1.099 1.671 1.00 0.00 C ATOM 744 O GLN A 49 2.902 1.122 2.696 1.00 0.00 O ATOM 745 CB GLN A 49 1.689 -1.261 1.029 1.00 0.00 C ATOM 746 CG GLN A 49 0.186 -1.194 0.825 1.00 0.00 C ATOM 747 CD GLN A 49 -0.511 -2.481 1.222 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.573 -2.828 2.402 1.00 0.00 O ATOM 749 NE2 GLN A 49 -1.037 -3.199 0.235 1.00 0.00 N ATOM 0 H GLN A 49 4.263 -0.820 1.183 1.00 0.00 H new ATOM 0 HA GLN A 49 2.024 0.379 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.087 -2.099 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.895 -1.466 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.221 -0.369 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.026 -0.978 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.962 -2.873 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.516 -4.076 0.441 1.00 0.00 H new ATOM 758 N ILE A 50 1.268 1.989 1.414 1.00 0.00 N ATOM 759 CA ILE A 50 0.961 3.065 2.339 1.00 0.00 C ATOM 760 C ILE A 50 -0.545 3.231 2.527 1.00 0.00 C ATOM 761 O ILE A 50 -1.291 3.441 1.577 1.00 0.00 O ATOM 762 CB ILE A 50 1.601 4.389 1.890 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.285 4.695 0.422 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.104 4.311 2.109 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.254 5.783 0.242 1.00 0.00 C ATOM 0 H ILE A 50 0.696 1.983 0.569 1.00 0.00 H new ATOM 0 HA ILE A 50 1.390 2.792 3.303 1.00 0.00 H new ATOM 0 HB ILE A 50 1.184 5.202 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.204 4.989 -0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.930 3.785 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.567 5.246 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.309 4.143 3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.515 3.488 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.080 5.947 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.678 5.483 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.615 6.705 0.697 1.00 0.00 H new ATOM 777 N GLY A 51 -0.962 3.133 3.783 1.00 0.00 N ATOM 778 CA GLY A 51 -2.362 3.274 4.135 1.00 0.00 C ATOM 779 C GLY A 51 -3.166 2.014 3.873 1.00 0.00 C ATOM 780 O GLY A 51 -3.455 1.681 2.724 1.00 0.00 O ATOM 0 H GLY A 51 -0.345 2.956 4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.442 3.537 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.793 4.099 3.567 1.00 0.00 H new ATOM 784 N ALA A 52 -3.535 1.321 4.944 1.00 0.00 N ATOM 785 CA ALA A 52 -4.321 0.097 4.834 1.00 0.00 C ATOM 786 C ALA A 52 -5.522 0.148 5.772 1.00 0.00 C ATOM 787 O ALA A 52 -5.366 0.199 6.991 1.00 0.00 O ATOM 788 CB ALA A 52 -3.456 -1.117 5.143 1.00 0.00 C ATOM 0 H ALA A 52 -3.302 1.586 5.901 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.687 0.011 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.056 -2.023 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.627 -1.162 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.065 -1.036 6.157 1.00 0.00 H new ATOM 794 N PHE A 53 -6.722 0.149 5.198 1.00 0.00 N ATOM 795 CA PHE A 53 -7.942 0.212 5.996 1.00 0.00 C ATOM 796 C PHE A 53 -8.975 -0.804 5.519 1.00 0.00 C ATOM 797 O PHE A 53 -8.792 -1.470 4.499 1.00 0.00 O ATOM 798 CB PHE A 53 -8.543 1.619 5.941 1.00 0.00 C ATOM 799 CG PHE A 53 -7.516 2.715 5.861 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.809 2.931 4.689 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.260 3.527 6.955 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.865 3.937 4.610 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.317 4.533 6.881 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.619 4.740 5.707 1.00 0.00 C ATOM 0 H PHE A 53 -6.875 0.107 4.190 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.674 -0.029 7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.203 1.689 5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.160 1.775 6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.998 2.307 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.804 3.371 7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.320 4.095 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.125 5.158 7.741 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.883 5.528 5.647 1.00 0.00 H new ATOM 814 N SER A 54 -10.067 -0.911 6.273 1.00 0.00 N ATOM 815 CA SER A 54 -11.143 -1.836 5.941 1.00 0.00 C ATOM 816 C SER A 54 -12.098 -1.226 4.917 1.00 0.00 C ATOM 817 O SER A 54 -12.882 -1.938 4.291 1.00 0.00 O ATOM 818 CB SER A 54 -11.915 -2.224 7.204 1.00 0.00 C ATOM 819 OG SER A 54 -12.392 -3.556 7.120 1.00 0.00 O ATOM 0 H SER A 54 -10.228 -0.366 7.120 1.00 0.00 H new ATOM 0 HA SER A 54 -10.696 -2.728 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.269 -2.120 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.754 -1.542 7.346 1.00 0.00 H new ATOM 0 HG SER A 54 -12.880 -3.781 7.939 1.00 0.00 H new ATOM 825 N SER A 55 -12.028 0.093 4.749 1.00 0.00 N ATOM 826 CA SER A 55 -12.889 0.790 3.797 1.00 0.00 C ATOM 827 C SER A 55 -12.077 1.349 2.628 1.00 0.00 C ATOM 828 O SER A 55 -11.073 2.031 2.827 1.00 0.00 O ATOM 829 CB SER A 55 -13.644 1.922 4.495 1.00 0.00 C ATOM 830 OG SER A 55 -14.934 2.096 3.937 1.00 0.00 O ATOM 0 H SER A 55 -11.385 0.699 5.259 1.00 0.00 H new ATOM 0 HA SER A 55 -13.607 0.070 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.732 1.703 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.078 2.849 4.406 1.00 0.00 H new ATOM 0 HG SER A 55 -15.396 2.824 4.402 1.00 0.00 H new ATOM 836 N LYS A 56 -12.525 1.051 1.411 1.00 0.00 N ATOM 837 CA LYS A 56 -11.845 1.520 0.207 1.00 0.00 C ATOM 838 C LYS A 56 -11.713 3.038 0.204 1.00 0.00 C ATOM 839 O LYS A 56 -10.721 3.584 -0.277 1.00 0.00 O ATOM 840 CB LYS A 56 -12.596 1.059 -1.041 1.00 0.00 C ATOM 841 CG LYS A 56 -11.718 0.983 -2.279 1.00 0.00 C ATOM 842 CD LYS A 56 -11.928 2.181 -3.189 1.00 0.00 C ATOM 843 CE LYS A 56 -11.325 1.948 -4.565 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.084 0.927 -5.340 1.00 0.00 N ATOM 0 H LYS A 56 -13.356 0.487 1.233 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.843 1.090 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.031 0.078 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.423 1.743 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.671 0.932 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.939 0.067 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.995 2.382 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.477 3.065 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.311 2.887 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.289 1.626 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.834 0.999 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.844 -0.023 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.104 1.091 -5.224 1.00 0.00 H new ATOM 858 N ASP A 57 -12.720 3.719 0.743 1.00 0.00 N ATOM 859 CA ASP A 57 -12.712 5.177 0.802 1.00 0.00 C ATOM 860 C ASP A 57 -11.425 5.690 1.439 1.00 0.00 C ATOM 861 O ASP A 57 -10.947 6.775 1.109 1.00 0.00 O ATOM 862 CB ASP A 57 -13.924 5.685 1.585 1.00 0.00 C ATOM 863 CG ASP A 57 -14.399 7.041 1.099 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.686 8.039 1.337 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.484 7.104 0.483 1.00 0.00 O ATOM 0 H ASP A 57 -13.551 3.285 1.145 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.765 5.556 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.738 4.965 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.669 5.750 2.643 1.00 0.00 H new ATOM 870 N ASN A 58 -10.871 4.901 2.353 1.00 0.00 N ATOM 871 CA ASN A 58 -9.638 5.274 3.037 1.00 0.00 C ATOM 872 C ASN A 58 -8.446 5.177 2.091 1.00 0.00 C ATOM 873 O ASN A 58 -7.653 6.112 1.977 1.00 0.00 O ATOM 874 CB ASN A 58 -9.415 4.377 4.255 1.00 0.00 C ATOM 875 CG ASN A 58 -10.599 4.380 5.201 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.190 3.335 5.477 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.952 5.557 5.704 1.00 0.00 N ATOM 0 H ASN A 58 -11.256 4.000 2.637 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.732 6.307 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.223 3.357 3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.526 4.710 4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.741 5.621 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.434 6.397 5.448 1.00 0.00 H new ATOM 884 N ALA A 59 -8.332 4.042 1.412 1.00 0.00 N ATOM 885 CA ALA A 59 -7.243 3.818 0.468 1.00 0.00 C ATOM 886 C ALA A 59 -7.263 4.855 -0.646 1.00 0.00 C ATOM 887 O ALA A 59 -6.220 5.354 -1.056 1.00 0.00 O ATOM 888 CB ALA A 59 -7.330 2.415 -0.108 1.00 0.00 C ATOM 0 H ALA A 59 -8.982 3.260 1.498 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.299 3.920 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.512 2.259 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.259 1.685 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.282 2.292 -0.625 1.00 0.00 H new ATOM 894 N ASP A 60 -8.456 5.175 -1.138 1.00 0.00 N ATOM 895 CA ASP A 60 -8.599 6.154 -2.209 1.00 0.00 C ATOM 896 C ASP A 60 -8.056 7.515 -1.782 1.00 0.00 C ATOM 897 O ASP A 60 -7.253 8.122 -2.490 1.00 0.00 O ATOM 898 CB ASP A 60 -10.068 6.283 -2.615 1.00 0.00 C ATOM 899 CG ASP A 60 -10.484 5.233 -3.626 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.792 4.198 -3.726 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.501 5.446 -4.319 1.00 0.00 O ATOM 0 H ASP A 60 -9.335 4.772 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.020 5.806 -3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.696 6.198 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.240 7.275 -3.034 1.00 0.00 H new ATOM 906 N THR A 61 -8.502 7.990 -0.622 1.00 0.00 N ATOM 907 CA THR A 61 -8.059 9.281 -0.105 1.00 0.00 C ATOM 908 C THR A 61 -6.548 9.299 0.093 1.00 0.00 C ATOM 909 O THR A 61 -5.897 10.322 -0.115 1.00 0.00 O ATOM 910 CB THR A 61 -8.763 9.598 1.214 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.246 8.414 1.824 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.934 10.543 1.053 1.00 0.00 C ATOM 0 H THR A 61 -9.168 7.501 -0.024 1.00 0.00 H new ATOM 0 HA THR A 61 -8.320 10.044 -0.838 1.00 0.00 H new ATOM 0 HB THR A 61 -8.009 10.081 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.104 8.165 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.390 10.727 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.585 11.486 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.672 10.098 0.385 1.00 0.00 H new ATOM 920 N LEU A 62 -5.993 8.157 0.483 1.00 0.00 N ATOM 921 CA LEU A 62 -4.557 8.030 0.698 1.00 0.00 C ATOM 922 C LEU A 62 -3.835 8.085 -0.621 1.00 0.00 C ATOM 923 O LEU A 62 -2.873 8.830 -0.803 1.00 0.00 O ATOM 924 CB LEU A 62 -4.236 6.678 1.319 1.00 0.00 C ATOM 925 CG LEU A 62 -3.013 6.657 2.231 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.850 7.368 1.566 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.337 7.298 3.573 1.00 0.00 C ATOM 0 H LEU A 62 -6.520 7.301 0.658 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.244 8.843 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.102 6.344 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.085 5.955 0.518 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.729 5.620 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.984 7.346 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.605 6.867 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.125 8.403 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.453 7.274 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.644 8.332 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.146 6.747 4.053 1.00 0.00 H new ATOM 939 N ALA A 63 -4.300 7.246 -1.529 1.00 0.00 N ATOM 940 CA ALA A 63 -3.701 7.141 -2.830 1.00 0.00 C ATOM 941 C ALA A 63 -3.635 8.502 -3.510 1.00 0.00 C ATOM 942 O ALA A 63 -2.557 8.986 -3.856 1.00 0.00 O ATOM 943 CB ALA A 63 -4.457 6.140 -3.691 1.00 0.00 C ATOM 0 H ALA A 63 -5.097 6.627 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.681 6.779 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.987 6.076 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.436 5.160 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.491 6.466 -3.805 1.00 0.00 H new ATOM 949 N ALA A 64 -4.802 9.122 -3.689 1.00 0.00 N ATOM 950 CA ALA A 64 -4.884 10.435 -4.314 1.00 0.00 C ATOM 951 C ALA A 64 -3.943 11.413 -3.624 1.00 0.00 C ATOM 952 O ALA A 64 -3.311 12.248 -4.271 1.00 0.00 O ATOM 953 CB ALA A 64 -6.314 10.954 -4.273 1.00 0.00 C ATOM 0 H ALA A 64 -5.702 8.733 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.580 10.341 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.358 11.936 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.967 10.265 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.643 11.033 -3.237 1.00 0.00 H new ATOM 959 N ARG A 65 -3.837 11.283 -2.304 1.00 0.00 N ATOM 960 CA ARG A 65 -2.955 12.135 -1.526 1.00 0.00 C ATOM 961 C ARG A 65 -1.507 11.878 -1.922 1.00 0.00 C ATOM 962 O ARG A 65 -0.706 12.806 -2.026 1.00 0.00 O ATOM 963 CB ARG A 65 -3.147 11.865 -0.035 1.00 0.00 C ATOM 964 CG ARG A 65 -2.882 13.071 0.848 1.00 0.00 C ATOM 965 CD ARG A 65 -3.340 12.821 2.275 1.00 0.00 C ATOM 966 NE ARG A 65 -4.123 13.937 2.804 1.00 0.00 N ATOM 967 CZ ARG A 65 -3.587 15.058 3.277 1.00 0.00 C ATOM 968 NH1 ARG A 65 -2.268 15.220 3.287 1.00 0.00 N ATOM 969 NH2 ARG A 65 -4.370 16.023 3.741 1.00 0.00 N ATOM 0 H ARG A 65 -4.352 10.595 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.199 13.178 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.168 11.521 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.484 11.054 0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.817 13.303 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.400 13.941 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.938 11.910 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.470 12.655 2.911 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.139 13.850 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.661 14.482 2.930 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.863 16.082 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.383 15.905 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.959 16.883 4.104 1.00 0.00 H new ATOM 983 N ALA A 66 -1.190 10.609 -2.162 1.00 0.00 N ATOM 984 CA ALA A 66 0.152 10.227 -2.571 1.00 0.00 C ATOM 985 C ALA A 66 0.460 10.830 -3.928 1.00 0.00 C ATOM 986 O ALA A 66 1.556 11.337 -4.159 1.00 0.00 O ATOM 987 CB ALA A 66 0.297 8.713 -2.594 1.00 0.00 C ATOM 0 H ALA A 66 -1.845 9.831 -2.080 1.00 0.00 H new ATOM 0 HA ALA A 66 0.871 10.612 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.309 8.449 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.106 8.314 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.419 8.290 -3.298 1.00 0.00 H new ATOM 993 N LYS A 67 -0.527 10.799 -4.818 1.00 0.00 N ATOM 994 CA LYS A 67 -0.366 11.370 -6.144 1.00 0.00 C ATOM 995 C LYS A 67 -0.097 12.863 -6.029 1.00 0.00 C ATOM 996 O LYS A 67 0.827 13.392 -6.650 1.00 0.00 O ATOM 997 CB LYS A 67 -1.612 11.121 -6.995 1.00 0.00 C ATOM 998 CG LYS A 67 -1.740 9.686 -7.480 1.00 0.00 C ATOM 999 CD LYS A 67 -3.146 9.388 -7.974 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.252 7.983 -8.541 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.174 7.699 -9.528 1.00 0.00 N ATOM 0 H LYS A 67 -1.443 10.385 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 67 0.481 10.889 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.497 11.380 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.592 11.787 -7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.025 9.507 -8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.486 9.003 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.853 9.504 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.425 10.112 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.200 7.259 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.224 7.857 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.434 6.868 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.050 8.521 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.284 7.510 -9.025 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.897 13.530 -5.206 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.738 14.957 -4.972 1.00 0.00 C ATOM 1017 C ASN A 68 0.541 15.212 -4.180 1.00 0.00 C ATOM 1018 O ASN A 68 1.134 16.288 -4.256 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.946 15.505 -4.209 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.140 16.993 -4.420 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -2.906 17.413 -5.288 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.444 17.800 -3.629 1.00 0.00 N ATOM 0 H ASN A 68 -1.665 13.102 -4.688 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.670 15.468 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.844 14.976 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.820 15.306 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.532 18.811 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.821 17.409 -2.923 1.00 0.00 H new ATOM 1029 N ALA A 69 0.956 14.201 -3.420 1.00 0.00 N ATOM 1030 CA ALA A 69 2.161 14.283 -2.605 1.00 0.00 C ATOM 1031 C ALA A 69 3.417 14.130 -3.457 1.00 0.00 C ATOM 1032 O ALA A 69 4.503 14.550 -3.059 1.00 0.00 O ATOM 1033 CB ALA A 69 2.128 13.208 -1.531 1.00 0.00 C ATOM 0 H ALA A 69 0.468 13.308 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 69 2.190 15.267 -2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.031 13.273 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.253 13.354 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.076 12.226 -2.001 1.00 0.00 H new ATOM 1039 N GLY A 70 3.263 13.511 -4.624 1.00 0.00 N ATOM 1040 CA GLY A 70 4.393 13.296 -5.505 1.00 0.00 C ATOM 1041 C GLY A 70 4.750 11.828 -5.598 1.00 0.00 C ATOM 1042 O GLY A 70 5.889 11.471 -5.894 1.00 0.00 O ATOM 0 H GLY A 70 2.374 13.155 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.160 13.679 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.253 13.859 -5.141 1.00 0.00 H new ATOM 1046 N PHE A 71 3.765 10.976 -5.326 1.00 0.00 N ATOM 1047 CA PHE A 71 3.956 9.538 -5.359 1.00 0.00 C ATOM 1048 C PHE A 71 2.850 8.887 -6.181 1.00 0.00 C ATOM 1049 O PHE A 71 1.722 9.366 -6.197 1.00 0.00 O ATOM 1050 CB PHE A 71 3.929 8.981 -3.934 1.00 0.00 C ATOM 1051 CG PHE A 71 4.448 9.941 -2.897 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.680 10.552 -3.056 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.697 10.238 -1.767 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.158 11.439 -2.110 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.169 11.125 -0.819 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.402 11.727 -0.989 1.00 0.00 C ATOM 0 H PHE A 71 2.819 11.266 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 71 4.921 9.318 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.905 8.706 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.523 8.067 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.275 10.333 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.733 9.770 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.122 11.907 -2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.575 11.348 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.773 12.420 -0.248 1.00 0.00 H new ATOM 1066 N ASP A 72 3.168 7.789 -6.849 1.00 0.00 N ATOM 1067 CA ASP A 72 2.176 7.088 -7.654 1.00 0.00 C ATOM 1068 C ASP A 72 1.480 6.012 -6.830 1.00 0.00 C ATOM 1069 O ASP A 72 1.732 4.822 -7.014 1.00 0.00 O ATOM 1070 CB ASP A 72 2.835 6.462 -8.886 1.00 0.00 C ATOM 1071 CG ASP A 72 1.821 6.039 -9.930 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.907 6.836 -10.228 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.943 4.910 -10.451 1.00 0.00 O ATOM 0 H ASP A 72 4.096 7.366 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 72 1.430 7.811 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.529 7.177 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.421 5.595 -8.580 1.00 0.00 H new ATOM 1078 N ALA A 73 0.602 6.432 -5.918 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.119 5.488 -5.071 1.00 0.00 C ATOM 1080 C ALA A 73 -1.359 4.935 -5.765 1.00 0.00 C ATOM 1081 O ALA A 73 -2.078 5.657 -6.454 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.516 6.149 -3.762 1.00 0.00 C ATOM 0 H ALA A 73 0.376 7.412 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 73 0.553 4.654 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.053 5.432 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.379 6.485 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.159 7.005 -3.967 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.603 3.648 -5.555 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.758 2.976 -6.132 1.00 0.00 C ATOM 1090 C ILE A 74 -3.475 2.164 -5.059 1.00 0.00 C ATOM 1091 O ILE A 74 -2.848 1.687 -4.115 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.354 2.042 -7.291 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.359 0.984 -6.806 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.766 2.849 -8.440 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.864 -0.434 -6.955 1.00 0.00 C ATOM 0 H ILE A 74 -1.010 3.045 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.422 3.744 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.246 1.530 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.428 1.090 -7.363 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.126 1.170 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.485 2.177 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.507 3.562 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.884 3.387 -8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.108 -1.130 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.779 -0.557 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.070 -0.638 -8.006 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.781 2.002 -5.204 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.557 1.241 -4.233 1.00 0.00 C ATOM 1109 C VAL A 75 -5.912 -0.136 -4.778 1.00 0.00 C ATOM 1110 O VAL A 75 -6.333 -0.271 -5.928 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.845 1.985 -3.823 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.697 1.125 -2.899 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.499 3.310 -3.161 1.00 0.00 C ATOM 0 H VAL A 75 -5.324 2.384 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.932 1.124 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.427 2.189 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.599 1.671 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.973 0.203 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.130 0.885 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.417 3.825 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.896 3.126 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.937 3.930 -3.859 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.737 -1.154 -3.945 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.036 -2.522 -4.342 1.00 0.00 C ATOM 1125 C ILE A 76 -6.825 -3.249 -3.258 1.00 0.00 C ATOM 1126 O ILE A 76 -6.518 -3.137 -2.068 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.749 -3.314 -4.642 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.816 -3.296 -3.429 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.050 -2.744 -5.866 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.285 -4.664 -3.055 1.00 0.00 C ATOM 0 H ILE A 76 -5.390 -1.057 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.638 -2.464 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.018 -4.349 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.976 -2.633 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.350 -2.877 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.143 -3.314 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.715 -2.808 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.791 -1.701 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.631 -4.576 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.118 -5.325 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.723 -5.078 -3.892 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.841 -3.992 -3.683 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.682 -4.746 -2.765 1.00 0.00 C ATOM 1144 C LEU A 77 -8.221 -6.200 -2.701 1.00 0.00 C ATOM 1145 O LEU A 77 -8.446 -6.974 -3.632 1.00 0.00 O ATOM 1146 CB LEU A 77 -10.144 -4.664 -3.213 1.00 0.00 C ATOM 1147 CG LEU A 77 -11.075 -5.711 -2.602 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.204 -5.499 -1.102 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.441 -5.665 -3.269 1.00 0.00 C ATOM 0 H LEU A 77 -8.102 -4.087 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.597 -4.315 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.527 -3.674 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.180 -4.759 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.644 -6.697 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.870 -6.253 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.222 -5.584 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.612 -4.507 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.090 -6.417 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.881 -4.677 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.333 -5.867 -4.335 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.571 -6.565 -1.599 1.00 0.00 N ATOM 1162 CA GLU A 78 -7.076 -7.927 -1.422 1.00 0.00 C ATOM 1163 C GLU A 78 -8.072 -8.773 -0.635 1.00 0.00 C ATOM 1164 O GLU A 78 -8.406 -8.455 0.507 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.726 -7.910 -0.705 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.563 -7.532 -1.608 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.249 -7.438 -0.858 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -3.280 -7.257 0.378 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.186 -7.549 -1.505 1.00 0.00 O ATOM 0 H GLU A 78 -7.375 -5.939 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.952 -8.372 -2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.774 -7.206 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.538 -8.895 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.471 -8.271 -2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.774 -6.575 -2.085 1.00 0.00 H new ATOM 1176 N SER A 79 -8.541 -9.852 -1.253 1.00 0.00 N ATOM 1177 CA SER A 79 -9.497 -10.747 -0.610 1.00 0.00 C ATOM 1178 C SER A 79 -9.051 -12.200 -0.738 1.00 0.00 C ATOM 1179 O SER A 79 -9.359 -12.995 0.178 1.00 0.00 O ATOM 1180 CB SER A 79 -10.886 -10.572 -1.229 1.00 0.00 C ATOM 1181 OG SER A 79 -10.794 -10.234 -2.601 1.00 0.00 O ATOM 1182 OXT SER A 79 -8.401 -12.532 -1.749 1.00 0.00 O ATOM 0 H SER A 79 -8.275 -10.128 -2.198 1.00 0.00 H new ATOM 0 HA SER A 79 -9.543 -10.491 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.457 -11.494 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.430 -9.793 -0.695 1.00 0.00 H new ATOM 0 HG SER A 79 -11.695 -10.130 -2.973 1.00 0.00 H new TER 1188 SER A 79