USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 2 THR OG1 : rot 93:sc= 1.18 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 121:sc= 1.28 (180deg=-0.526) USER MOD Single : A 4 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.276 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.0109 (180deg=-0.169) USER MOD Single : A 20 ASN : amide:sc=-0.00625 X(o=-0.0062,f=-0.028) USER MOD Single : A 21 THR OG1 : rot -78:sc= 0.568 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.988 USER MOD Single : A 33 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 42 THR OG1 : rot -93:sc= 0.081 USER MOD Single : A 48 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 50 LYS NZ :NH3+ -145:sc= -0.734 (180deg=-2.66!) USER MOD Single : A 51 SER OG : rot 83:sc= 1.32 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0378 (180deg=-0.266) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.228 -3.328 1.004 1.00 0.00 N ATOM 2 CA LEU A 1 4.975 -4.077 1.032 1.00 0.00 C ATOM 3 C LEU A 1 5.230 -5.514 0.677 1.00 0.00 C ATOM 4 O LEU A 1 4.909 -6.422 1.437 1.00 0.00 O ATOM 5 CB LEU A 1 3.962 -3.490 0.031 1.00 0.00 C ATOM 6 CG LEU A 1 3.330 -2.136 0.367 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.547 -1.626 -0.823 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.400 -2.267 1.550 1.00 0.00 C ATOM 0 H1 LEU A 1 6.153 -2.552 0.316 1.00 0.00 H new ATOM 0 HA LEU A 1 4.563 -4.007 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.460 -3.397 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.157 -4.214 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 1 4.127 -1.435 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.100 -0.663 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.216 -1.509 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.761 -2.338 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.959 -1.296 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.609 -2.979 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.960 -2.621 2.416 1.00 0.00 H new ATOM 20 N THR A 2 5.870 -5.699 -0.444 1.00 0.00 N ATOM 21 CA THR A 2 6.184 -7.002 -0.968 1.00 0.00 C ATOM 22 C THR A 2 6.996 -7.815 0.037 1.00 0.00 C ATOM 23 O THR A 2 6.638 -8.963 0.344 1.00 0.00 O ATOM 24 CB THR A 2 6.969 -6.850 -2.288 1.00 0.00 C ATOM 25 OG1 THR A 2 6.182 -6.155 -3.262 1.00 0.00 O ATOM 26 CG2 THR A 2 7.444 -8.181 -2.827 1.00 0.00 C ATOM 0 H THR A 2 6.196 -4.932 -1.033 1.00 0.00 H new ATOM 0 HA THR A 2 5.253 -7.536 -1.157 1.00 0.00 H new ATOM 0 HB THR A 2 7.859 -6.260 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.375 -5.195 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.991 -8.023 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.099 -8.656 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.585 -8.824 -3.017 1.00 0.00 H new ATOM 34 N ALA A 3 8.025 -7.187 0.575 1.00 0.00 N ATOM 35 CA ALA A 3 8.954 -7.814 1.509 1.00 0.00 C ATOM 36 C ALA A 3 8.283 -8.223 2.824 1.00 0.00 C ATOM 37 O ALA A 3 8.539 -9.306 3.350 1.00 0.00 O ATOM 38 CB ALA A 3 10.120 -6.878 1.785 1.00 0.00 C ATOM 0 H ALA A 3 8.246 -6.212 0.375 1.00 0.00 H new ATOM 0 HA ALA A 3 9.316 -8.729 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.810 -7.352 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.640 -6.660 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.747 -5.950 2.218 1.00 0.00 H new ATOM 44 N ASN A 4 7.419 -7.386 3.330 1.00 0.00 N ATOM 45 CA ASN A 4 6.798 -7.638 4.628 1.00 0.00 C ATOM 46 C ASN A 4 5.565 -8.481 4.531 1.00 0.00 C ATOM 47 O ASN A 4 5.357 -9.370 5.338 1.00 0.00 O ATOM 48 CB ASN A 4 6.492 -6.338 5.382 1.00 0.00 C ATOM 49 CG ASN A 4 7.735 -5.687 5.932 1.00 0.00 C ATOM 50 OD1 ASN A 4 8.141 -5.957 7.063 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.356 -4.848 5.154 1.00 0.00 N ATOM 0 H ASN A 4 7.121 -6.523 2.875 1.00 0.00 H new ATOM 0 HA ASN A 4 7.536 -8.202 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.987 -5.643 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.803 -6.549 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.209 -4.390 5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.990 -4.649 4.223 1.00 0.00 H new ATOM 58 N LEU A 5 4.757 -8.225 3.546 1.00 0.00 N ATOM 59 CA LEU A 5 3.504 -8.936 3.413 1.00 0.00 C ATOM 60 C LEU A 5 3.703 -10.239 2.687 1.00 0.00 C ATOM 61 O LEU A 5 2.960 -11.197 2.903 1.00 0.00 O ATOM 62 CB LEU A 5 2.547 -8.087 2.623 1.00 0.00 C ATOM 63 CG LEU A 5 2.262 -6.709 3.187 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.607 -5.877 2.128 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.374 -6.799 4.421 1.00 0.00 C ATOM 0 H LEU A 5 4.935 -7.532 2.820 1.00 0.00 H new ATOM 0 HA LEU A 5 3.111 -9.143 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.943 -7.970 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.603 -8.624 2.535 1.00 0.00 H new ATOM 0 HG LEU A 5 3.200 -6.244 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.398 -4.883 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.272 -5.793 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.674 -6.349 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.184 -5.797 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.428 -7.271 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.873 -7.394 5.186 1.00 0.00 H new ATOM 77 N GLY A 6 4.708 -10.291 1.837 1.00 0.00 N ATOM 78 CA GLY A 6 4.942 -11.493 1.091 1.00 0.00 C ATOM 79 C GLY A 6 3.990 -11.548 -0.055 1.00 0.00 C ATOM 80 O GLY A 6 3.341 -12.564 -0.301 1.00 0.00 O ATOM 0 H GLY A 6 5.359 -9.528 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.969 -11.516 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.810 -12.365 1.732 1.00 0.00 H new ATOM 84 N ILE A 7 3.881 -10.443 -0.744 1.00 0.00 N ATOM 85 CA ILE A 7 2.941 -10.318 -1.844 1.00 0.00 C ATOM 86 C ILE A 7 3.669 -10.077 -3.144 1.00 0.00 C ATOM 87 O ILE A 7 4.902 -10.019 -3.171 1.00 0.00 O ATOM 88 CB ILE A 7 1.917 -9.175 -1.626 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.627 -7.823 -1.443 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.996 -9.485 -0.451 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.688 -6.643 -1.376 1.00 0.00 C ATOM 0 H ILE A 7 4.434 -9.605 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 7 2.396 -11.261 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 7 1.298 -9.101 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.219 -7.856 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.323 -7.675 -2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.287 -8.668 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.452 -10.409 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.590 -9.600 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.264 -5.727 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.113 -6.583 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.008 -6.767 -0.533 1.00 0.00 H new ATOM 103 N SER A 8 2.931 -9.978 -4.215 1.00 0.00 N ATOM 104 CA SER A 8 3.508 -9.662 -5.474 1.00 0.00 C ATOM 105 C SER A 8 3.764 -8.160 -5.535 1.00 0.00 C ATOM 106 O SER A 8 3.040 -7.366 -4.901 1.00 0.00 O ATOM 107 CB SER A 8 2.562 -10.088 -6.595 1.00 0.00 C ATOM 108 OG SER A 8 1.297 -9.462 -6.445 1.00 0.00 O ATOM 0 H SER A 8 1.920 -10.115 -4.231 1.00 0.00 H new ATOM 0 HA SER A 8 4.451 -10.194 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.992 -9.824 -7.561 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.441 -11.171 -6.585 1.00 0.00 H new ATOM 0 HG SER A 8 0.704 -9.745 -7.172 1.00 0.00 H new ATOM 114 N SER A 9 4.761 -7.764 -6.281 1.00 0.00 N ATOM 115 CA SER A 9 5.064 -6.372 -6.464 1.00 0.00 C ATOM 116 C SER A 9 3.964 -5.726 -7.314 1.00 0.00 C ATOM 117 O SER A 9 3.758 -4.517 -7.276 1.00 0.00 O ATOM 118 CB SER A 9 6.420 -6.247 -7.122 1.00 0.00 C ATOM 119 OG SER A 9 7.393 -6.958 -6.363 1.00 0.00 O ATOM 0 H SER A 9 5.385 -8.399 -6.779 1.00 0.00 H new ATOM 0 HA SER A 9 5.100 -5.855 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.379 -6.641 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.702 -5.197 -7.198 1.00 0.00 H new ATOM 0 HG SER A 9 8.269 -6.875 -6.795 1.00 0.00 H new ATOM 125 N TYR A 10 3.255 -6.569 -8.059 1.00 0.00 N ATOM 126 CA TYR A 10 2.097 -6.176 -8.830 1.00 0.00 C ATOM 127 C TYR A 10 1.042 -5.629 -7.874 1.00 0.00 C ATOM 128 O TYR A 10 0.599 -4.483 -8.006 1.00 0.00 O ATOM 129 CB TYR A 10 1.542 -7.412 -9.550 1.00 0.00 C ATOM 130 CG TYR A 10 0.355 -7.169 -10.471 1.00 0.00 C ATOM 131 CD1 TYR A 10 -0.936 -6.982 -9.969 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.519 -7.177 -11.846 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.003 -6.809 -10.808 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.555 -6.993 -12.692 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.812 -6.814 -12.163 1.00 0.00 C ATOM 136 OH TYR A 10 -2.895 -6.633 -12.999 1.00 0.00 O ATOM 0 H TYR A 10 3.480 -7.561 -8.140 1.00 0.00 H new ATOM 0 HA TYR A 10 2.365 -5.414 -9.562 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.346 -7.859 -10.135 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.250 -8.145 -8.798 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.094 -6.974 -8.901 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.504 -7.330 -12.263 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.994 -6.669 -10.402 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.410 -6.990 -13.762 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.596 -6.661 -13.932 1.00 0.00 H new ATOM 146 N ALA A 11 0.668 -6.460 -6.894 1.00 0.00 N ATOM 147 CA ALA A 11 -0.331 -6.098 -5.908 1.00 0.00 C ATOM 148 C ALA A 11 0.140 -4.928 -5.094 1.00 0.00 C ATOM 149 O ALA A 11 -0.630 -4.021 -4.829 1.00 0.00 O ATOM 150 CB ALA A 11 -0.664 -7.279 -5.009 1.00 0.00 C ATOM 0 H ALA A 11 1.053 -7.396 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.242 -5.811 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.416 -6.980 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.052 -8.099 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.237 -7.606 -4.489 1.00 0.00 H new ATOM 156 N ALA A 12 1.419 -4.940 -4.740 1.00 0.00 N ATOM 157 CA ALA A 12 2.030 -3.860 -3.986 1.00 0.00 C ATOM 158 C ALA A 12 1.881 -2.533 -4.717 1.00 0.00 C ATOM 159 O ALA A 12 1.449 -1.552 -4.137 1.00 0.00 O ATOM 160 CB ALA A 12 3.494 -4.156 -3.728 1.00 0.00 C ATOM 0 H ALA A 12 2.059 -5.700 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 12 1.514 -3.782 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.937 -3.336 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.583 -5.081 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.016 -4.264 -4.679 1.00 0.00 H new ATOM 166 N LYS A 13 2.197 -2.533 -6.006 1.00 0.00 N ATOM 167 CA LYS A 13 2.102 -1.341 -6.850 1.00 0.00 C ATOM 168 C LYS A 13 0.659 -0.868 -6.927 1.00 0.00 C ATOM 169 O LYS A 13 0.374 0.347 -6.943 1.00 0.00 O ATOM 170 CB LYS A 13 2.595 -1.666 -8.246 1.00 0.00 C ATOM 171 CG LYS A 13 2.690 -0.467 -9.181 1.00 0.00 C ATOM 172 CD LYS A 13 3.143 -0.875 -10.570 1.00 0.00 C ATOM 173 CE LYS A 13 4.483 -1.590 -10.541 1.00 0.00 C ATOM 174 NZ LYS A 13 4.953 -1.949 -11.892 1.00 0.00 N ATOM 0 H LYS A 13 2.528 -3.361 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 13 2.716 -0.552 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.578 -2.130 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.927 -2.404 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.719 0.023 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.389 0.261 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.394 -1.526 -11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.217 0.010 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.223 -0.951 -10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.398 -2.493 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.870 -2.434 -11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.261 -2.580 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.060 -1.086 -12.463 1.00 0.00 H new ATOM 188 N LYS A 14 -0.238 -1.824 -6.985 1.00 0.00 N ATOM 189 CA LYS A 14 -1.644 -1.540 -6.995 1.00 0.00 C ATOM 190 C LYS A 14 -2.082 -0.884 -5.695 1.00 0.00 C ATOM 191 O LYS A 14 -2.830 0.100 -5.719 1.00 0.00 O ATOM 192 CB LYS A 14 -2.470 -2.770 -7.314 1.00 0.00 C ATOM 193 CG LYS A 14 -2.289 -3.245 -8.741 1.00 0.00 C ATOM 194 CD LYS A 14 -3.427 -4.130 -9.178 1.00 0.00 C ATOM 195 CE LYS A 14 -4.739 -3.353 -9.362 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.664 -2.339 -10.443 1.00 0.00 N ATOM 0 H LYS A 14 -0.009 -2.817 -7.026 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.826 -0.827 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.195 -3.574 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.523 -2.550 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.220 -2.384 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.349 -3.790 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.163 -4.619 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.575 -4.917 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.543 -4.055 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.997 -2.859 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.620 -1.991 -10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.069 -1.545 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.251 -2.770 -11.295 1.00 0.00 H new ATOM 210 N VAL A 15 -1.600 -1.421 -4.569 1.00 0.00 N ATOM 211 CA VAL A 15 -1.813 -0.822 -3.241 1.00 0.00 C ATOM 212 C VAL A 15 -1.305 0.615 -3.249 1.00 0.00 C ATOM 213 O VAL A 15 -2.003 1.529 -2.808 1.00 0.00 O ATOM 214 CB VAL A 15 -1.049 -1.595 -2.113 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.245 -0.937 -0.751 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.470 -3.044 -2.050 1.00 0.00 C ATOM 0 H VAL A 15 -1.052 -2.281 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.882 -0.869 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 15 0.010 -1.554 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.701 -1.500 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.868 0.085 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.306 -0.925 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.919 -3.549 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.539 -3.104 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.256 -3.527 -3.004 1.00 0.00 H new ATOM 226 N ILE A 16 -0.099 0.790 -3.795 1.00 0.00 N ATOM 227 CA ILE A 16 0.570 2.089 -3.892 1.00 0.00 C ATOM 228 C ILE A 16 -0.319 3.112 -4.572 1.00 0.00 C ATOM 229 O ILE A 16 -0.461 4.233 -4.094 1.00 0.00 O ATOM 230 CB ILE A 16 1.920 1.986 -4.662 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.911 1.090 -3.920 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.532 3.353 -4.917 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.249 1.554 -2.523 1.00 0.00 C ATOM 0 H ILE A 16 0.447 0.023 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 16 0.775 2.413 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 16 1.700 1.534 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.500 0.082 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.831 1.028 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.472 3.236 -5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.845 3.954 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.719 3.851 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.958 0.860 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.693 2.549 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.341 1.588 -1.921 1.00 0.00 H new ATOM 245 N ASP A 17 -0.940 2.706 -5.657 1.00 0.00 N ATOM 246 CA ASP A 17 -1.817 3.594 -6.405 1.00 0.00 C ATOM 247 C ASP A 17 -2.973 4.042 -5.545 1.00 0.00 C ATOM 248 O ASP A 17 -3.270 5.221 -5.447 1.00 0.00 O ATOM 249 CB ASP A 17 -2.363 2.910 -7.657 1.00 0.00 C ATOM 250 CG ASP A 17 -3.269 3.826 -8.462 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.759 4.596 -9.306 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.494 3.779 -8.286 1.00 0.00 O ATOM 0 H ASP A 17 -0.857 1.767 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.225 4.459 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.532 2.583 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.916 2.016 -7.369 1.00 0.00 H new ATOM 257 N ILE A 18 -3.567 3.108 -4.870 1.00 0.00 N ATOM 258 CA ILE A 18 -4.750 3.368 -4.084 1.00 0.00 C ATOM 259 C ILE A 18 -4.418 4.226 -2.851 1.00 0.00 C ATOM 260 O ILE A 18 -5.077 5.230 -2.601 1.00 0.00 O ATOM 261 CB ILE A 18 -5.413 2.054 -3.646 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.674 1.163 -4.864 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.717 2.354 -2.923 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.036 -0.264 -4.518 1.00 0.00 C ATOM 0 H ILE A 18 -3.251 2.139 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.448 3.921 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.744 1.525 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.481 1.599 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.785 1.158 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.185 1.419 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.513 2.966 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.389 2.892 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.205 -0.829 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.221 -0.720 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.943 -0.273 -3.914 1.00 0.00 H new ATOM 276 N ILE A 19 -3.392 3.839 -2.106 1.00 0.00 N ATOM 277 CA ILE A 19 -2.977 4.599 -0.911 1.00 0.00 C ATOM 278 C ILE A 19 -2.533 6.031 -1.279 1.00 0.00 C ATOM 279 O ILE A 19 -2.649 6.955 -0.471 1.00 0.00 O ATOM 280 CB ILE A 19 -1.833 3.892 -0.102 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.562 3.785 -0.947 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.286 2.516 0.379 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.629 3.216 -0.225 1.00 0.00 C ATOM 0 H ILE A 19 -2.828 3.011 -2.297 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.859 4.644 -0.272 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.606 4.499 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.772 3.164 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.305 4.777 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.479 2.042 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.158 2.625 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.545 1.897 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.482 3.179 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.872 3.847 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.397 2.209 0.122 1.00 0.00 H new ATOM 295 N ASN A 20 -2.030 6.204 -2.495 1.00 0.00 N ATOM 296 CA ASN A 20 -1.573 7.505 -2.963 1.00 0.00 C ATOM 297 C ASN A 20 -2.761 8.324 -3.486 1.00 0.00 C ATOM 298 O ASN A 20 -2.802 9.538 -3.335 1.00 0.00 O ATOM 299 CB ASN A 20 -0.532 7.322 -4.076 1.00 0.00 C ATOM 300 CG ASN A 20 0.321 8.560 -4.365 1.00 0.00 C ATOM 301 OD1 ASN A 20 -0.097 9.707 -4.170 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.516 8.331 -4.858 1.00 0.00 N ATOM 0 H ASN A 20 -1.928 5.454 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.115 8.040 -2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.128 6.498 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.047 7.030 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.129 9.112 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.831 7.372 -5.007 1.00 0.00 H new ATOM 309 N THR A 21 -3.722 7.661 -4.080 1.00 0.00 N ATOM 310 CA THR A 21 -4.874 8.352 -4.627 1.00 0.00 C ATOM 311 C THR A 21 -5.898 8.703 -3.552 1.00 0.00 C ATOM 312 O THR A 21 -6.408 9.831 -3.502 1.00 0.00 O ATOM 313 CB THR A 21 -5.556 7.538 -5.758 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.802 6.199 -5.314 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.690 7.474 -6.986 1.00 0.00 C ATOM 0 H THR A 21 -3.734 6.648 -4.199 1.00 0.00 H new ATOM 0 HA THR A 21 -4.493 9.281 -5.052 1.00 0.00 H new ATOM 0 HB THR A 21 -6.491 8.040 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.969 5.684 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.197 6.897 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.502 8.483 -7.352 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.743 6.995 -6.738 1.00 0.00 H new ATOM 323 N GLY A 22 -6.172 7.747 -2.694 1.00 0.00 N ATOM 324 CA GLY A 22 -7.175 7.896 -1.673 1.00 0.00 C ATOM 325 C GLY A 22 -6.818 8.875 -0.577 1.00 0.00 C ATOM 326 O GLY A 22 -5.657 9.272 -0.428 1.00 0.00 O ATOM 0 H GLY A 22 -5.702 6.842 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.105 8.218 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.365 6.921 -1.224 1.00 0.00 H new ATOM 330 N SER A 23 -7.817 9.255 0.182 1.00 0.00 N ATOM 331 CA SER A 23 -7.667 10.195 1.259 1.00 0.00 C ATOM 332 C SER A 23 -7.815 9.517 2.623 1.00 0.00 C ATOM 333 O SER A 23 -6.817 9.239 3.307 1.00 0.00 O ATOM 334 CB SER A 23 -8.704 11.296 1.108 1.00 0.00 C ATOM 335 OG SER A 23 -8.517 12.009 -0.099 1.00 0.00 O ATOM 0 H SER A 23 -8.771 8.913 0.065 1.00 0.00 H new ATOM 0 HA SER A 23 -6.664 10.618 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.704 10.863 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.637 11.981 1.953 1.00 0.00 H new ATOM 0 HG SER A 23 -9.197 12.710 -0.173 1.00 0.00 H new ATOM 341 N ALA A 24 -9.052 9.233 3.002 1.00 0.00 N ATOM 342 CA ALA A 24 -9.334 8.611 4.275 1.00 0.00 C ATOM 343 C ALA A 24 -8.830 7.195 4.288 1.00 0.00 C ATOM 344 O ALA A 24 -9.080 6.433 3.343 1.00 0.00 O ATOM 345 CB ALA A 24 -10.819 8.647 4.589 1.00 0.00 C ATOM 0 H ALA A 24 -9.879 9.428 2.437 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.814 9.177 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.999 8.171 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.158 9.682 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.368 8.113 3.813 1.00 0.00 H new ATOM 351 N VAL A 25 -8.135 6.846 5.349 1.00 0.00 N ATOM 352 CA VAL A 25 -7.545 5.529 5.518 1.00 0.00 C ATOM 353 C VAL A 25 -8.603 4.444 5.383 1.00 0.00 C ATOM 354 O VAL A 25 -8.421 3.497 4.630 1.00 0.00 O ATOM 355 CB VAL A 25 -6.802 5.405 6.881 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.203 4.021 7.068 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.715 6.459 6.993 1.00 0.00 C ATOM 0 H VAL A 25 -7.959 7.476 6.132 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.808 5.395 4.727 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.538 5.564 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.693 3.972 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.997 3.274 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.489 3.822 6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.207 6.357 7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.995 6.327 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.161 7.451 6.923 1.00 0.00 H new ATOM 367 N ALA A 26 -9.727 4.634 6.052 1.00 0.00 N ATOM 368 CA ALA A 26 -10.841 3.690 6.001 1.00 0.00 C ATOM 369 C ALA A 26 -11.333 3.473 4.560 1.00 0.00 C ATOM 370 O ALA A 26 -11.666 2.339 4.156 1.00 0.00 O ATOM 371 CB ALA A 26 -11.974 4.178 6.884 1.00 0.00 C ATOM 0 H ALA A 26 -9.898 5.445 6.647 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.487 2.729 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.801 3.469 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.623 4.263 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.314 5.153 6.534 1.00 0.00 H new ATOM 377 N THR A 27 -11.314 4.534 3.783 1.00 0.00 N ATOM 378 CA THR A 27 -11.772 4.494 2.414 1.00 0.00 C ATOM 379 C THR A 27 -10.782 3.689 1.575 1.00 0.00 C ATOM 380 O THR A 27 -11.174 2.825 0.761 1.00 0.00 O ATOM 381 CB THR A 27 -11.899 5.935 1.866 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.738 6.698 2.753 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.505 5.946 0.469 1.00 0.00 C ATOM 0 H THR A 27 -10.980 5.449 4.084 1.00 0.00 H new ATOM 0 HA THR A 27 -12.750 4.016 2.365 1.00 0.00 H new ATOM 0 HB THR A 27 -10.902 6.372 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.954 7.559 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.580 6.974 0.113 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.870 5.373 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.499 5.499 0.500 1.00 0.00 H new ATOM 391 N ILE A 28 -9.510 3.931 1.832 1.00 0.00 N ATOM 392 CA ILE A 28 -8.430 3.273 1.153 1.00 0.00 C ATOM 393 C ILE A 28 -8.436 1.792 1.460 1.00 0.00 C ATOM 394 O ILE A 28 -8.382 0.990 0.542 1.00 0.00 O ATOM 395 CB ILE A 28 -7.084 3.908 1.558 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.064 5.375 1.149 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.909 3.167 0.938 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.908 6.146 1.716 1.00 0.00 C ATOM 0 H ILE A 28 -9.202 4.605 2.533 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.563 3.398 0.078 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.983 3.834 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.033 5.439 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.994 5.845 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.977 3.642 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.915 2.130 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.992 3.198 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.962 7.182 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.949 6.114 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.973 5.703 1.375 1.00 0.00 H new ATOM 410 N ILE A 29 -8.561 1.438 2.741 1.00 0.00 N ATOM 411 CA ILE A 29 -8.561 0.035 3.168 1.00 0.00 C ATOM 412 C ILE A 29 -9.602 -0.760 2.401 1.00 0.00 C ATOM 413 O ILE A 29 -9.305 -1.834 1.895 1.00 0.00 O ATOM 414 CB ILE A 29 -8.862 -0.108 4.674 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.855 0.656 5.496 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.841 -1.576 5.086 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.261 0.784 6.925 1.00 0.00 C ATOM 0 H ILE A 29 -8.664 2.106 3.505 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.562 -0.351 2.964 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.855 0.303 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.889 0.153 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.722 1.650 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.055 -1.658 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.595 -2.123 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.857 -1.998 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.500 1.342 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.213 1.312 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.367 -0.208 7.363 1.00 0.00 H new ATOM 429 N ALA A 30 -10.795 -0.194 2.267 1.00 0.00 N ATOM 430 CA ALA A 30 -11.886 -0.866 1.581 1.00 0.00 C ATOM 431 C ALA A 30 -11.547 -1.084 0.111 1.00 0.00 C ATOM 432 O ALA A 30 -11.819 -2.147 -0.451 1.00 0.00 O ATOM 433 CB ALA A 30 -13.172 -0.071 1.724 1.00 0.00 C ATOM 0 H ALA A 30 -11.030 0.731 2.626 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.032 -1.843 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.979 -0.588 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.424 0.027 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.037 0.920 1.290 1.00 0.00 H new ATOM 439 N LEU A 31 -10.899 -0.099 -0.487 1.00 0.00 N ATOM 440 CA LEU A 31 -10.530 -0.182 -1.888 1.00 0.00 C ATOM 441 C LEU A 31 -9.415 -1.206 -2.086 1.00 0.00 C ATOM 442 O LEU A 31 -9.503 -2.090 -2.949 1.00 0.00 O ATOM 443 CB LEU A 31 -10.092 1.188 -2.413 1.00 0.00 C ATOM 444 CG LEU A 31 -11.151 2.296 -2.416 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.544 3.612 -2.877 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.331 1.918 -3.303 1.00 0.00 C ATOM 0 H LEU A 31 -10.618 0.766 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.404 -0.505 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.247 1.527 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.730 1.061 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.516 2.418 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.310 4.387 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.736 3.896 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.150 3.497 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.069 2.720 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.983 1.763 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.786 1.000 -2.931 1.00 0.00 H new ATOM 458 N VAL A 32 -8.394 -1.122 -1.250 1.00 0.00 N ATOM 459 CA VAL A 32 -7.256 -2.008 -1.361 1.00 0.00 C ATOM 460 C VAL A 32 -7.684 -3.442 -1.058 1.00 0.00 C ATOM 461 O VAL A 32 -7.271 -4.368 -1.738 1.00 0.00 O ATOM 462 CB VAL A 32 -6.075 -1.604 -0.435 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.841 -2.374 -0.795 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.771 -0.132 -0.513 1.00 0.00 C ATOM 0 H VAL A 32 -8.333 -0.447 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.894 -1.929 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.380 -1.839 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.023 -2.079 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.032 -3.441 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.569 -2.163 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.939 0.103 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.504 0.131 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.649 0.438 -0.210 1.00 0.00 H new ATOM 474 N THR A 33 -8.557 -3.605 -0.078 1.00 0.00 N ATOM 475 CA THR A 33 -9.073 -4.912 0.287 1.00 0.00 C ATOM 476 C THR A 33 -9.871 -5.547 -0.880 1.00 0.00 C ATOM 477 O THR A 33 -9.847 -6.764 -1.075 1.00 0.00 O ATOM 478 CB THR A 33 -9.930 -4.838 1.586 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.113 -4.387 2.684 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.513 -6.183 1.938 1.00 0.00 C ATOM 0 H THR A 33 -8.926 -2.838 0.484 1.00 0.00 H new ATOM 0 HA THR A 33 -8.220 -5.559 0.492 1.00 0.00 H new ATOM 0 HB THR A 33 -10.746 -4.138 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.010 -3.414 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.105 -6.096 2.849 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.150 -6.528 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.707 -6.899 2.097 1.00 0.00 H new ATOM 488 N ALA A 34 -10.528 -4.724 -1.675 1.00 0.00 N ATOM 489 CA ALA A 34 -11.269 -5.223 -2.823 1.00 0.00 C ATOM 490 C ALA A 34 -10.306 -5.668 -3.930 1.00 0.00 C ATOM 491 O ALA A 34 -10.604 -6.582 -4.718 1.00 0.00 O ATOM 492 CB ALA A 34 -12.230 -4.162 -3.341 1.00 0.00 C ATOM 0 H ALA A 34 -10.565 -3.712 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.853 -6.088 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.775 -4.553 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.935 -3.895 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.668 -3.277 -3.641 1.00 0.00 H new ATOM 498 N VAL A 35 -9.146 -5.050 -3.963 1.00 0.00 N ATOM 499 CA VAL A 35 -8.153 -5.329 -4.975 1.00 0.00 C ATOM 500 C VAL A 35 -7.216 -6.480 -4.577 1.00 0.00 C ATOM 501 O VAL A 35 -7.026 -7.436 -5.339 1.00 0.00 O ATOM 502 CB VAL A 35 -7.329 -4.053 -5.302 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.190 -4.353 -6.265 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.239 -2.983 -5.891 1.00 0.00 C ATOM 0 H VAL A 35 -8.865 -4.339 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.693 -5.645 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.893 -3.690 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.636 -3.437 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.521 -5.089 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.596 -4.748 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.654 -2.092 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.697 -3.358 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.018 -2.732 -5.172 1.00 0.00 H new ATOM 514 N VAL A 36 -6.651 -6.402 -3.397 1.00 0.00 N ATOM 515 CA VAL A 36 -5.649 -7.385 -2.991 1.00 0.00 C ATOM 516 C VAL A 36 -6.236 -8.550 -2.224 1.00 0.00 C ATOM 517 O VAL A 36 -5.702 -9.648 -2.266 1.00 0.00 O ATOM 518 CB VAL A 36 -4.474 -6.765 -2.180 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.790 -5.672 -2.980 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.925 -6.242 -0.811 1.00 0.00 C ATOM 0 H VAL A 36 -6.856 -5.684 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.249 -7.763 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.755 -7.562 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.972 -5.251 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.397 -6.091 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.510 -4.887 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.070 -5.819 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.684 -5.472 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.342 -7.063 -0.227 1.00 0.00 H new ATOM 530 N GLY A 37 -7.324 -8.330 -1.548 1.00 0.00 N ATOM 531 CA GLY A 37 -7.890 -9.379 -0.768 1.00 0.00 C ATOM 532 C GLY A 37 -8.230 -8.924 0.621 1.00 0.00 C ATOM 533 O GLY A 37 -7.764 -7.864 1.080 1.00 0.00 O ATOM 0 H GLY A 37 -7.829 -7.444 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.790 -9.751 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.188 -10.211 -0.716 1.00 0.00 H new ATOM 537 N GLY A 38 -9.022 -9.728 1.277 1.00 0.00 N ATOM 538 CA GLY A 38 -9.541 -9.459 2.587 1.00 0.00 C ATOM 539 C GLY A 38 -8.510 -9.175 3.657 1.00 0.00 C ATOM 540 O GLY A 38 -7.618 -9.976 3.901 1.00 0.00 O ATOM 0 H GLY A 38 -9.334 -10.622 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.215 -8.605 2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.139 -10.314 2.903 1.00 0.00 H new ATOM 544 N GLY A 39 -8.574 -7.975 4.198 1.00 0.00 N ATOM 545 CA GLY A 39 -7.865 -7.606 5.411 1.00 0.00 C ATOM 546 C GLY A 39 -6.371 -7.680 5.338 1.00 0.00 C ATOM 547 O GLY A 39 -5.708 -7.764 6.368 1.00 0.00 O ATOM 0 H GLY A 39 -9.128 -7.216 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.147 -6.588 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.203 -8.254 6.219 1.00 0.00 H new ATOM 551 N LEU A 40 -5.845 -7.736 4.156 1.00 0.00 N ATOM 552 CA LEU A 40 -4.405 -7.689 3.984 1.00 0.00 C ATOM 553 C LEU A 40 -3.877 -6.296 4.357 1.00 0.00 C ATOM 554 O LEU A 40 -3.227 -6.090 5.412 1.00 0.00 O ATOM 555 CB LEU A 40 -4.027 -8.046 2.545 1.00 0.00 C ATOM 556 CG LEU A 40 -4.371 -9.466 2.081 1.00 0.00 C ATOM 557 CD1 LEU A 40 -3.915 -9.684 0.655 1.00 0.00 C ATOM 558 CD2 LEU A 40 -3.743 -10.503 2.994 1.00 0.00 C ATOM 0 H LEU A 40 -6.378 -7.814 3.290 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.946 -8.423 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.520 -7.340 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.953 -7.899 2.428 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.454 -9.580 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.168 -10.697 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.412 -8.968 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.836 -9.544 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.002 -11.502 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.659 -10.386 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.116 -10.367 4.009 1.00 0.00 H new ATOM 570 N ILE A 41 -4.186 -5.341 3.542 1.00 0.00 N ATOM 571 CA ILE A 41 -3.751 -4.016 3.804 1.00 0.00 C ATOM 572 C ILE A 41 -4.720 -3.387 4.767 1.00 0.00 C ATOM 573 O ILE A 41 -5.822 -2.986 4.396 1.00 0.00 O ATOM 574 CB ILE A 41 -3.628 -3.173 2.518 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.774 -3.918 1.477 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.008 -1.814 2.836 1.00 0.00 C ATOM 577 CD1 ILE A 41 -1.371 -4.226 1.917 1.00 0.00 C ATOM 0 H ILE A 41 -4.737 -5.457 2.692 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.752 -4.051 4.238 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.624 -3.014 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.273 -4.853 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.731 -3.319 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.926 -1.228 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.638 -1.285 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.016 -1.958 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.846 -4.751 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.849 -3.297 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.399 -4.854 2.808 1.00 0.00 H new ATOM 589 N THR A 42 -4.327 -3.370 5.994 1.00 0.00 N ATOM 590 CA THR A 42 -5.128 -2.837 7.047 1.00 0.00 C ATOM 591 C THR A 42 -4.720 -1.400 7.305 1.00 0.00 C ATOM 592 O THR A 42 -3.786 -0.905 6.666 1.00 0.00 O ATOM 593 CB THR A 42 -4.881 -3.674 8.299 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.463 -3.882 8.425 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.592 -5.014 8.209 1.00 0.00 C ATOM 0 H THR A 42 -3.424 -3.732 6.301 1.00 0.00 H new ATOM 0 HA THR A 42 -6.184 -2.864 6.779 1.00 0.00 H new ATOM 0 HB THR A 42 -5.272 -3.148 9.170 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.217 -4.727 7.994 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.399 -5.590 9.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.665 -4.850 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.223 -5.564 7.343 1.00 0.00 H new ATOM 603 N ALA A 43 -5.398 -0.743 8.238 1.00 0.00 N ATOM 604 CA ALA A 43 -5.135 0.651 8.591 1.00 0.00 C ATOM 605 C ALA A 43 -3.682 0.853 8.963 1.00 0.00 C ATOM 606 O ALA A 43 -3.069 1.856 8.594 1.00 0.00 O ATOM 607 CB ALA A 43 -6.038 1.079 9.732 1.00 0.00 C ATOM 0 H ALA A 43 -6.154 -1.165 8.778 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.348 1.270 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.834 2.119 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.080 0.977 9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.850 0.449 10.601 1.00 0.00 H new ATOM 613 N GLY A 44 -3.132 -0.130 9.653 1.00 0.00 N ATOM 614 CA GLY A 44 -1.754 -0.102 10.042 1.00 0.00 C ATOM 615 C GLY A 44 -0.838 -0.122 8.847 1.00 0.00 C ATOM 616 O GLY A 44 0.130 0.643 8.793 1.00 0.00 O ATOM 0 H GLY A 44 -3.636 -0.964 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.561 0.793 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.538 -0.959 10.680 1.00 0.00 H new ATOM 620 N ILE A 45 -1.159 -0.948 7.854 1.00 0.00 N ATOM 621 CA ILE A 45 -0.323 -1.036 6.692 1.00 0.00 C ATOM 622 C ILE A 45 -0.518 0.198 5.812 1.00 0.00 C ATOM 623 O ILE A 45 0.452 0.751 5.313 1.00 0.00 O ATOM 624 CB ILE A 45 -0.564 -2.348 5.890 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.314 -3.577 6.780 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.336 -2.409 4.660 1.00 0.00 C ATOM 627 CD1 ILE A 45 1.081 -3.660 7.385 1.00 0.00 C ATOM 0 H ILE A 45 -1.981 -1.551 7.843 1.00 0.00 H new ATOM 0 HA ILE A 45 0.713 -1.067 7.028 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.603 -2.352 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.045 -3.576 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.492 -4.476 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.148 -3.335 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.124 -1.559 4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.380 -2.376 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.160 -4.560 7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.822 -3.697 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.261 -2.783 8.007 1.00 0.00 H new ATOM 639 N VAL A 46 -1.767 0.653 5.683 1.00 0.00 N ATOM 640 CA VAL A 46 -2.091 1.843 4.892 1.00 0.00 C ATOM 641 C VAL A 46 -1.323 3.053 5.414 1.00 0.00 C ATOM 642 O VAL A 46 -0.589 3.687 4.666 1.00 0.00 O ATOM 643 CB VAL A 46 -3.623 2.176 4.895 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.906 3.465 4.135 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.428 1.052 4.284 1.00 0.00 C ATOM 0 H VAL A 46 -2.576 0.211 6.120 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.798 1.618 3.866 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.921 2.302 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.976 3.671 4.154 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.370 4.290 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.575 3.358 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.486 1.312 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.109 0.894 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.270 0.138 4.857 1.00 0.00 H new ATOM 655 N ALA A 47 -1.460 3.330 6.707 1.00 0.00 N ATOM 656 CA ALA A 47 -0.812 4.481 7.329 1.00 0.00 C ATOM 657 C ALA A 47 0.701 4.410 7.189 1.00 0.00 C ATOM 658 O ALA A 47 1.352 5.415 6.871 1.00 0.00 O ATOM 659 CB ALA A 47 -1.206 4.590 8.787 1.00 0.00 C ATOM 0 H ALA A 47 -2.019 2.768 7.349 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.153 5.376 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.713 5.454 9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.287 4.709 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.902 3.686 9.315 1.00 0.00 H new ATOM 665 N THR A 48 1.254 3.228 7.397 1.00 0.00 N ATOM 666 CA THR A 48 2.678 3.029 7.270 1.00 0.00 C ATOM 667 C THR A 48 3.131 3.238 5.817 1.00 0.00 C ATOM 668 O THR A 48 4.030 4.035 5.558 1.00 0.00 O ATOM 669 CB THR A 48 3.088 1.628 7.767 1.00 0.00 C ATOM 670 OG1 THR A 48 2.657 1.475 9.131 1.00 0.00 O ATOM 671 CG2 THR A 48 4.599 1.446 7.693 1.00 0.00 C ATOM 0 H THR A 48 0.732 2.391 7.656 1.00 0.00 H new ATOM 0 HA THR A 48 3.175 3.770 7.896 1.00 0.00 H new ATOM 0 HB THR A 48 2.619 0.877 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.812 0.979 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.863 0.450 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.929 1.562 6.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.087 2.195 8.316 1.00 0.00 H new ATOM 679 N ALA A 49 2.457 2.574 4.882 1.00 0.00 N ATOM 680 CA ALA A 49 2.785 2.660 3.466 1.00 0.00 C ATOM 681 C ALA A 49 2.682 4.096 2.973 1.00 0.00 C ATOM 682 O ALA A 49 3.563 4.582 2.272 1.00 0.00 O ATOM 683 CB ALA A 49 1.889 1.743 2.653 1.00 0.00 C ATOM 0 H ALA A 49 1.668 1.961 5.087 1.00 0.00 H new ATOM 0 HA ALA A 49 3.816 2.332 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.150 1.822 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.025 0.714 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.848 2.034 2.792 1.00 0.00 H new ATOM 689 N LYS A 50 1.628 4.784 3.394 1.00 0.00 N ATOM 690 CA LYS A 50 1.427 6.177 3.044 1.00 0.00 C ATOM 691 C LYS A 50 2.546 7.053 3.589 1.00 0.00 C ATOM 692 O LYS A 50 2.990 7.991 2.930 1.00 0.00 O ATOM 693 CB LYS A 50 0.062 6.683 3.515 1.00 0.00 C ATOM 694 CG LYS A 50 -1.105 6.095 2.746 1.00 0.00 C ATOM 695 CD LYS A 50 -2.470 6.664 3.161 1.00 0.00 C ATOM 696 CE LYS A 50 -2.735 8.095 2.650 1.00 0.00 C ATOM 697 NZ LYS A 50 -1.973 9.149 3.356 1.00 0.00 N ATOM 0 H LYS A 50 0.895 4.391 3.984 1.00 0.00 H new ATOM 0 HA LYS A 50 1.449 6.242 1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.057 6.449 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.036 7.769 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.955 6.276 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.114 5.014 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.255 6.005 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.539 6.659 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.493 8.139 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.800 8.309 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.553 10.009 3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.727 8.819 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.102 9.361 2.828 1.00 0.00 H new ATOM 711 N SER A 51 3.032 6.723 4.757 1.00 0.00 N ATOM 712 CA SER A 51 4.105 7.466 5.352 1.00 0.00 C ATOM 713 C SER A 51 5.417 7.194 4.611 1.00 0.00 C ATOM 714 O SER A 51 6.203 8.111 4.368 1.00 0.00 O ATOM 715 CB SER A 51 4.212 7.142 6.840 1.00 0.00 C ATOM 716 OG SER A 51 2.981 7.448 7.508 1.00 0.00 O ATOM 0 H SER A 51 2.697 5.938 5.316 1.00 0.00 H new ATOM 0 HA SER A 51 3.895 8.532 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.453 6.087 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.027 7.713 7.285 1.00 0.00 H new ATOM 0 HG SER A 51 2.356 6.700 7.401 1.00 0.00 H new ATOM 722 N LEU A 52 5.610 5.955 4.194 1.00 0.00 N ATOM 723 CA LEU A 52 6.799 5.567 3.472 1.00 0.00 C ATOM 724 C LEU A 52 6.831 6.229 2.092 1.00 0.00 C ATOM 725 O LEU A 52 7.890 6.647 1.640 1.00 0.00 O ATOM 726 CB LEU A 52 6.874 4.049 3.334 1.00 0.00 C ATOM 727 CG LEU A 52 6.814 3.249 4.637 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.708 1.784 4.339 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.024 3.515 5.514 1.00 0.00 C ATOM 0 H LEU A 52 4.947 5.195 4.348 1.00 0.00 H new ATOM 0 HA LEU A 52 7.667 5.905 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.055 3.722 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.801 3.797 2.820 1.00 0.00 H new ATOM 0 HG LEU A 52 5.928 3.572 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.666 1.225 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.803 1.595 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.578 1.466 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.945 2.929 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.930 3.232 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.066 4.575 5.764 1.00 0.00 H new ATOM 741 N ILE A 53 5.669 6.360 1.436 1.00 0.00 N ATOM 742 CA ILE A 53 5.623 6.995 0.111 1.00 0.00 C ATOM 743 C ILE A 53 5.848 8.503 0.213 1.00 0.00 C ATOM 744 O ILE A 53 6.305 9.130 -0.744 1.00 0.00 O ATOM 745 CB ILE A 53 4.317 6.702 -0.705 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.093 7.365 -0.066 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.099 5.202 -0.832 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.796 7.175 -0.833 1.00 0.00 C ATOM 0 H ILE A 53 4.767 6.043 1.791 1.00 0.00 H new ATOM 0 HA ILE A 53 6.439 6.536 -0.447 1.00 0.00 H new ATOM 0 HB ILE A 53 4.444 7.129 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.965 6.967 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.286 8.433 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.189 5.014 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.948 4.753 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.004 4.763 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.985 7.678 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.898 7.599 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.572 6.111 -0.912 1.00 0.00 H new ATOM 760 N LYS A 54 5.533 9.075 1.380 1.00 0.00 N ATOM 761 CA LYS A 54 5.762 10.497 1.626 1.00 0.00 C ATOM 762 C LYS A 54 7.254 10.787 1.667 1.00 0.00 C ATOM 763 O LYS A 54 7.748 11.691 0.989 1.00 0.00 O ATOM 764 CB LYS A 54 5.101 10.942 2.952 1.00 0.00 C ATOM 765 CG LYS A 54 3.579 10.979 2.917 1.00 0.00 C ATOM 766 CD LYS A 54 2.956 11.165 4.311 1.00 0.00 C ATOM 767 CE LYS A 54 3.313 12.493 4.964 1.00 0.00 C ATOM 768 NZ LYS A 54 2.735 12.601 6.330 1.00 0.00 N ATOM 0 H LYS A 54 5.120 8.573 2.166 1.00 0.00 H new ATOM 0 HA LYS A 54 5.309 11.061 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.417 10.266 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.470 11.934 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.255 11.792 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.207 10.053 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.872 11.090 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.284 10.351 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.397 12.594 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.947 13.313 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.997 13.517 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.699 12.529 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.104 11.832 6.925 1.00 0.00 H new ATOM 782 N LYS A 55 7.973 9.979 2.409 1.00 0.00 N ATOM 783 CA LYS A 55 9.400 10.204 2.602 1.00 0.00 C ATOM 784 C LYS A 55 10.272 9.502 1.579 1.00 0.00 C ATOM 785 O LYS A 55 11.001 10.140 0.832 1.00 0.00 O ATOM 786 CB LYS A 55 9.825 9.838 4.039 1.00 0.00 C ATOM 787 CG LYS A 55 9.211 8.552 4.582 1.00 0.00 C ATOM 788 CD LYS A 55 9.524 8.330 6.055 1.00 0.00 C ATOM 789 CE LYS A 55 8.914 9.412 6.938 1.00 0.00 C ATOM 790 NZ LYS A 55 9.193 9.188 8.367 1.00 0.00 N ATOM 0 H LYS A 55 7.602 9.160 2.891 1.00 0.00 H new ATOM 0 HA LYS A 55 9.561 11.271 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.911 9.746 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.556 10.660 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.130 8.584 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.581 7.705 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.146 7.355 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.605 8.312 6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.307 10.385 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.836 9.442 6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.759 9.948 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.796 8.272 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.221 9.186 8.524 1.00 0.00 H new ATOM 804 N TYR A 56 10.161 8.216 1.518 1.00 0.00 N ATOM 805 CA TYR A 56 11.039 7.417 0.706 1.00 0.00 C ATOM 806 C TYR A 56 10.522 7.330 -0.709 1.00 0.00 C ATOM 807 O TYR A 56 11.288 7.415 -1.675 1.00 0.00 O ATOM 808 CB TYR A 56 11.176 6.042 1.329 1.00 0.00 C ATOM 809 CG TYR A 56 11.521 6.093 2.805 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.501 6.949 3.288 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.855 5.298 3.710 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.807 6.999 4.624 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.156 5.331 5.050 1.00 0.00 C ATOM 814 CZ TYR A 56 12.138 6.185 5.505 1.00 0.00 C ATOM 815 OH TYR A 56 12.453 6.224 6.849 1.00 0.00 O ATOM 0 H TYR A 56 9.459 7.681 2.029 1.00 0.00 H new ATOM 0 HA TYR A 56 12.023 7.884 0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.242 5.495 1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.949 5.484 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.033 7.588 2.599 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.079 4.634 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.570 7.675 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.627 4.692 5.742 1.00 0.00 H new ATOM 0 HH TYR A 56 11.888 5.588 7.336 1.00 0.00 H new ATOM 825 N GLY A 57 9.237 7.171 -0.840 1.00 0.00 N ATOM 826 CA GLY A 57 8.648 7.161 -2.140 1.00 0.00 C ATOM 827 C GLY A 57 7.778 5.968 -2.406 1.00 0.00 C ATOM 828 O GLY A 57 7.777 4.987 -1.645 1.00 0.00 O ATOM 0 H GLY A 57 8.584 7.048 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.054 8.066 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.441 7.194 -2.887 1.00 0.00 H new ATOM 832 N ALA A 58 7.058 6.054 -3.497 1.00 0.00 N ATOM 833 CA ALA A 58 6.090 5.058 -3.918 1.00 0.00 C ATOM 834 C ALA A 58 6.758 3.731 -4.260 1.00 0.00 C ATOM 835 O ALA A 58 6.236 2.653 -3.951 1.00 0.00 O ATOM 836 CB ALA A 58 5.307 5.595 -5.106 1.00 0.00 C ATOM 0 H ALA A 58 7.128 6.842 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 58 5.408 4.863 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.578 4.851 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.789 6.510 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.992 5.810 -5.926 1.00 0.00 H new ATOM 842 N LYS A 59 7.922 3.815 -4.856 1.00 0.00 N ATOM 843 CA LYS A 59 8.661 2.637 -5.260 1.00 0.00 C ATOM 844 C LYS A 59 9.258 1.920 -4.042 1.00 0.00 C ATOM 845 O LYS A 59 9.371 0.676 -4.023 1.00 0.00 O ATOM 846 CB LYS A 59 9.730 3.016 -6.299 1.00 0.00 C ATOM 847 CG LYS A 59 10.595 1.862 -6.780 1.00 0.00 C ATOM 848 CD LYS A 59 11.470 2.280 -7.946 1.00 0.00 C ATOM 849 CE LYS A 59 12.442 1.183 -8.345 1.00 0.00 C ATOM 850 NZ LYS A 59 13.421 0.894 -7.274 1.00 0.00 N ATOM 0 H LYS A 59 8.385 4.697 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 59 7.978 1.932 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.235 3.463 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.377 3.781 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.221 1.508 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.960 1.028 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.841 2.536 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.026 3.179 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.887 0.276 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.972 1.480 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.217 0.352 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.774 1.788 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.962 0.339 -6.524 1.00 0.00 H new ATOM 864 N TYR A 60 9.573 2.693 -3.004 1.00 0.00 N ATOM 865 CA TYR A 60 10.134 2.143 -1.788 1.00 0.00 C ATOM 866 C TYR A 60 9.104 1.286 -1.105 1.00 0.00 C ATOM 867 O TYR A 60 9.373 0.150 -0.712 1.00 0.00 O ATOM 868 CB TYR A 60 10.586 3.268 -0.830 1.00 0.00 C ATOM 869 CG TYR A 60 11.005 2.772 0.551 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.055 2.548 1.544 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.327 2.507 0.846 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.403 2.071 2.777 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.691 2.034 2.092 1.00 0.00 C ATOM 874 CZ TYR A 60 11.720 1.815 3.052 1.00 0.00 C ATOM 875 OH TYR A 60 12.073 1.330 4.292 1.00 0.00 O ATOM 0 H TYR A 60 9.446 3.705 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 60 11.005 1.542 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.421 3.803 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.772 3.984 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.016 2.757 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.085 2.671 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.646 1.898 3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.729 1.836 2.315 1.00 0.00 H new ATOM 0 HH TYR A 60 13.044 1.200 4.328 1.00 0.00 H new ATOM 885 N ALA A 61 7.921 1.838 -0.968 1.00 0.00 N ATOM 886 CA ALA A 61 6.863 1.176 -0.267 1.00 0.00 C ATOM 887 C ALA A 61 6.428 -0.074 -0.979 1.00 0.00 C ATOM 888 O ALA A 61 6.062 -1.028 -0.343 1.00 0.00 O ATOM 889 CB ALA A 61 5.711 2.095 -0.054 1.00 0.00 C ATOM 0 H ALA A 61 7.673 2.755 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 61 7.248 0.881 0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.920 1.569 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.035 2.955 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.333 2.435 -1.018 1.00 0.00 H new ATOM 895 N ALA A 62 6.496 -0.070 -2.302 1.00 0.00 N ATOM 896 CA ALA A 62 6.155 -1.249 -3.084 1.00 0.00 C ATOM 897 C ALA A 62 7.092 -2.400 -2.730 1.00 0.00 C ATOM 898 O ALA A 62 6.655 -3.553 -2.570 1.00 0.00 O ATOM 899 CB ALA A 62 6.217 -0.945 -4.564 1.00 0.00 C ATOM 0 H ALA A 62 6.784 0.736 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 62 5.134 -1.544 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.959 -1.840 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.512 -0.149 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.226 -0.627 -4.828 1.00 0.00 H new ATOM 905 N ALA A 63 8.367 -2.079 -2.569 1.00 0.00 N ATOM 906 CA ALA A 63 9.350 -3.065 -2.177 1.00 0.00 C ATOM 907 C ALA A 63 9.097 -3.512 -0.741 1.00 0.00 C ATOM 908 O ALA A 63 9.104 -4.716 -0.446 1.00 0.00 O ATOM 909 CB ALA A 63 10.752 -2.512 -2.326 1.00 0.00 C ATOM 0 H ALA A 63 8.741 -1.140 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 63 9.258 -3.930 -2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.476 -3.270 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.926 -2.236 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.865 -1.632 -1.693 1.00 0.00 H new ATOM 915 N TRP A 64 8.833 -2.541 0.128 1.00 0.00 N ATOM 916 CA TRP A 64 8.540 -2.778 1.544 1.00 0.00 C ATOM 917 C TRP A 64 7.308 -3.676 1.710 1.00 0.00 C ATOM 918 O TRP A 64 7.343 -4.662 2.471 1.00 0.00 O ATOM 919 CB TRP A 64 8.330 -1.434 2.271 1.00 0.00 C ATOM 920 CG TRP A 64 7.942 -1.564 3.718 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.782 -1.628 4.783 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.605 -1.643 4.255 1.00 0.00 C ATOM 923 NE1 TRP A 64 8.057 -1.733 5.945 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.720 -1.749 5.644 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.329 -1.630 3.687 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.607 -1.845 6.479 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.231 -1.724 4.514 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.370 -1.830 5.890 1.00 0.00 C ATOM 0 H TRP A 64 8.815 -1.555 -0.131 1.00 0.00 H new ATOM 0 HA TRP A 64 9.391 -3.293 1.989 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.249 -0.852 2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.557 -0.870 1.749 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.860 -1.600 4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.452 -1.790 6.884 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.205 -1.548 2.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.716 -1.928 7.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.241 -1.715 4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.487 -1.902 6.508 1.00 0.00 H new TER 939 TRP A 64