USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 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 Set 1.1: A 2 THR OG1 : rot 90:sc= 1.23 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -131:sc= 1.49 (180deg=-0.937) USER MOD Single : A 4 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0053) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0872 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00867 X(o=-0.0087,f=-0.12) USER MOD Single : A 21 THR OG1 : rot -76:sc= -0.0401 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -1.36 (180deg=-2.65!) USER MOD Single : A 51 SER OG : rot 94:sc= 1.26 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc=-0.000282 (180deg=-0.0498) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.865 -3.283 0.805 1.00 0.00 N ATOM 2 CA LEU A 1 4.571 -3.939 0.801 1.00 0.00 C ATOM 3 C LEU A 1 4.732 -5.385 0.409 1.00 0.00 C ATOM 4 O LEU A 1 4.332 -6.276 1.140 1.00 0.00 O ATOM 5 CB LEU A 1 3.613 -3.247 -0.177 1.00 0.00 C ATOM 6 CG LEU A 1 3.120 -1.848 0.200 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.398 -1.235 -0.973 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.184 -1.911 1.393 1.00 0.00 C ATOM 0 H1 LEU A 1 5.985 -2.758 1.694 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.922 -2.623 0.003 1.00 0.00 H new ATOM 0 HA LEU A 1 4.151 -3.876 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.108 -3.181 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.742 -3.889 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 1 3.982 -1.236 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.047 -0.239 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.078 -1.163 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.546 -1.859 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.846 -0.906 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.323 -2.533 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.710 -2.340 2.246 1.00 0.00 H new ATOM 20 N THR A 2 5.381 -5.601 -0.711 1.00 0.00 N ATOM 21 CA THR A 2 5.614 -6.931 -1.232 1.00 0.00 C ATOM 22 C THR A 2 6.329 -7.797 -0.197 1.00 0.00 C ATOM 23 O THR A 2 5.853 -8.891 0.127 1.00 0.00 O ATOM 24 CB THR A 2 6.450 -6.852 -2.536 1.00 0.00 C ATOM 25 OG1 THR A 2 5.750 -6.115 -3.551 1.00 0.00 O ATOM 26 CG2 THR A 2 6.829 -8.217 -3.050 1.00 0.00 C ATOM 0 H THR A 2 5.765 -4.855 -1.291 1.00 0.00 H new ATOM 0 HA THR A 2 4.651 -7.390 -1.456 1.00 0.00 H new ATOM 0 HB THR A 2 7.372 -6.324 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.978 -5.165 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.413 -8.112 -3.964 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.422 -8.737 -2.298 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.926 -8.790 -3.260 1.00 0.00 H new ATOM 34 N ALA A 3 7.398 -7.252 0.353 1.00 0.00 N ATOM 35 CA ALA A 3 8.249 -7.932 1.318 1.00 0.00 C ATOM 36 C ALA A 3 7.510 -8.345 2.588 1.00 0.00 C ATOM 37 O ALA A 3 7.645 -9.477 3.052 1.00 0.00 O ATOM 38 CB ALA A 3 9.422 -7.041 1.683 1.00 0.00 C ATOM 0 H ALA A 3 7.707 -6.304 0.138 1.00 0.00 H new ATOM 0 HA ALA A 3 8.595 -8.848 0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.057 -7.553 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.000 -6.816 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.052 -6.113 2.119 1.00 0.00 H new ATOM 44 N ASN A 4 6.720 -7.446 3.125 1.00 0.00 N ATOM 45 CA ASN A 4 6.081 -7.672 4.421 1.00 0.00 C ATOM 46 C ASN A 4 4.759 -8.378 4.307 1.00 0.00 C ATOM 47 O ASN A 4 4.392 -9.160 5.178 1.00 0.00 O ATOM 48 CB ASN A 4 5.908 -6.360 5.199 1.00 0.00 C ATOM 49 CG ASN A 4 7.219 -5.779 5.691 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.681 -6.082 6.799 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.829 -4.946 4.899 1.00 0.00 N ATOM 0 H ASN A 4 6.498 -6.549 2.694 1.00 0.00 H new ATOM 0 HA ASN A 4 6.755 -8.327 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.411 -5.629 4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.253 -6.535 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.712 -4.524 5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.424 -4.715 3.992 1.00 0.00 H new ATOM 58 N LEU A 5 4.041 -8.110 3.251 1.00 0.00 N ATOM 59 CA LEU A 5 2.729 -8.699 3.084 1.00 0.00 C ATOM 60 C LEU A 5 2.843 -10.025 2.358 1.00 0.00 C ATOM 61 O LEU A 5 2.003 -10.908 2.529 1.00 0.00 O ATOM 62 CB LEU A 5 1.851 -7.756 2.284 1.00 0.00 C ATOM 63 CG LEU A 5 1.768 -6.320 2.799 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.094 -5.460 1.771 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.031 -6.242 4.128 1.00 0.00 C ATOM 0 H LEU A 5 4.334 -7.492 2.494 1.00 0.00 H new ATOM 0 HA LEU A 5 2.286 -8.869 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.218 -7.732 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.843 -8.169 2.253 1.00 0.00 H new ATOM 0 HG LEU A 5 2.781 -5.957 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.034 -4.435 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.669 -5.482 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.089 -5.838 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.992 -5.205 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.017 -6.622 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.555 -6.843 4.871 1.00 0.00 H new ATOM 77 N GLY A 6 3.884 -10.163 1.544 1.00 0.00 N ATOM 78 CA GLY A 6 4.094 -11.403 0.831 1.00 0.00 C ATOM 79 C GLY A 6 3.242 -11.432 -0.395 1.00 0.00 C ATOM 80 O GLY A 6 2.706 -12.481 -0.796 1.00 0.00 O ATOM 0 H GLY A 6 4.582 -9.440 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.144 -11.502 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.851 -12.249 1.474 1.00 0.00 H new ATOM 84 N ILE A 7 3.109 -10.284 -1.000 1.00 0.00 N ATOM 85 CA ILE A 7 2.247 -10.130 -2.145 1.00 0.00 C ATOM 86 C ILE A 7 3.068 -9.959 -3.395 1.00 0.00 C ATOM 87 O ILE A 7 4.293 -9.964 -3.338 1.00 0.00 O ATOM 88 CB ILE A 7 1.255 -8.943 -2.000 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.000 -7.613 -1.783 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.255 -9.211 -0.876 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.094 -6.400 -1.737 1.00 0.00 C ATOM 0 H ILE A 7 3.591 -9.431 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 7 1.651 -11.040 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 7 0.698 -8.853 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.561 -7.670 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.727 -7.481 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.431 -8.368 -0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.309 -10.117 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.791 -9.340 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.694 -5.503 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.552 -6.315 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.383 -6.508 -0.918 1.00 0.00 H new ATOM 103 N SER A 8 2.414 -9.851 -4.509 1.00 0.00 N ATOM 104 CA SER A 8 3.086 -9.624 -5.742 1.00 0.00 C ATOM 105 C SER A 8 3.368 -8.134 -5.884 1.00 0.00 C ATOM 106 O SER A 8 2.638 -7.305 -5.315 1.00 0.00 O ATOM 107 CB SER A 8 2.206 -10.119 -6.882 1.00 0.00 C ATOM 108 OG SER A 8 0.913 -9.531 -6.817 1.00 0.00 O ATOM 0 H SER A 8 1.399 -9.918 -4.585 1.00 0.00 H new ATOM 0 HA SER A 8 4.032 -10.164 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.672 -9.878 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.119 -11.204 -6.835 1.00 0.00 H new ATOM 0 HG SER A 8 0.366 -9.862 -7.559 1.00 0.00 H new ATOM 114 N SER A 9 4.397 -7.783 -6.624 1.00 0.00 N ATOM 115 CA SER A 9 4.714 -6.399 -6.854 1.00 0.00 C ATOM 116 C SER A 9 3.626 -5.724 -7.691 1.00 0.00 C ATOM 117 O SER A 9 3.436 -4.517 -7.610 1.00 0.00 O ATOM 118 CB SER A 9 6.082 -6.271 -7.497 1.00 0.00 C ATOM 119 OG SER A 9 7.074 -6.844 -6.648 1.00 0.00 O ATOM 0 H SER A 9 5.028 -8.444 -7.077 1.00 0.00 H new ATOM 0 HA SER A 9 4.749 -5.883 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.086 -6.772 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.310 -5.221 -7.680 1.00 0.00 H new ATOM 0 HG SER A 9 7.954 -6.759 -7.070 1.00 0.00 H new ATOM 125 N TYR A 10 2.892 -6.521 -8.474 1.00 0.00 N ATOM 126 CA TYR A 10 1.765 -6.013 -9.220 1.00 0.00 C ATOM 127 C TYR A 10 0.715 -5.518 -8.238 1.00 0.00 C ATOM 128 O TYR A 10 0.254 -4.378 -8.338 1.00 0.00 O ATOM 129 CB TYR A 10 1.158 -7.102 -10.112 1.00 0.00 C ATOM 130 CG TYR A 10 0.083 -6.593 -11.076 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.211 -6.291 -10.637 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.367 -6.409 -12.421 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.170 -5.827 -11.507 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.597 -5.945 -13.299 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.864 -5.655 -12.832 1.00 0.00 C ATOM 136 OH TYR A 10 -2.835 -5.203 -13.703 1.00 0.00 O ATOM 0 H TYR A 10 3.068 -7.518 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 10 2.103 -5.199 -9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.955 -7.571 -10.689 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.725 -7.876 -9.478 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.461 -6.425 -9.595 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.357 -6.632 -12.790 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.162 -5.599 -11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.360 -5.810 -14.344 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.458 -5.133 -14.605 1.00 0.00 H new ATOM 146 N ALA A 11 0.360 -6.378 -7.276 1.00 0.00 N ATOM 147 CA ALA A 11 -0.630 -6.043 -6.266 1.00 0.00 C ATOM 148 C ALA A 11 -0.135 -4.910 -5.409 1.00 0.00 C ATOM 149 O ALA A 11 -0.900 -4.031 -5.058 1.00 0.00 O ATOM 150 CB ALA A 11 -0.983 -7.253 -5.416 1.00 0.00 C ATOM 0 H ALA A 11 0.751 -7.315 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.540 -5.723 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.726 -6.970 -4.670 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.390 -8.039 -6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.087 -7.619 -4.915 1.00 0.00 H new ATOM 156 N ALA A 12 1.156 -4.916 -5.110 1.00 0.00 N ATOM 157 CA ALA A 12 1.775 -3.852 -4.342 1.00 0.00 C ATOM 158 C ALA A 12 1.626 -2.526 -5.060 1.00 0.00 C ATOM 159 O ALA A 12 1.261 -1.544 -4.457 1.00 0.00 O ATOM 160 CB ALA A 12 3.236 -4.147 -4.081 1.00 0.00 C ATOM 0 H ALA A 12 1.799 -5.656 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 12 1.265 -3.790 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.674 -3.333 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.325 -5.078 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.763 -4.243 -5.030 1.00 0.00 H new ATOM 166 N LYS A 13 1.874 -2.531 -6.365 1.00 0.00 N ATOM 167 CA LYS A 13 1.750 -1.338 -7.203 1.00 0.00 C ATOM 168 C LYS A 13 0.299 -0.851 -7.204 1.00 0.00 C ATOM 169 O LYS A 13 0.027 0.356 -7.199 1.00 0.00 O ATOM 170 CB LYS A 13 2.189 -1.667 -8.627 1.00 0.00 C ATOM 171 CG LYS A 13 2.324 -0.471 -9.564 1.00 0.00 C ATOM 172 CD LYS A 13 3.399 0.494 -9.087 1.00 0.00 C ATOM 173 CE LYS A 13 3.609 1.629 -10.075 1.00 0.00 C ATOM 174 NZ LYS A 13 4.672 2.552 -9.633 1.00 0.00 N ATOM 0 H LYS A 13 2.168 -3.364 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 13 2.387 -0.549 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.148 -2.182 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.471 -2.365 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.566 -0.820 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.369 0.050 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.117 0.903 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.336 -0.045 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.867 1.218 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.677 2.181 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.785 3.312 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.414 2.964 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.567 2.031 -9.540 1.00 0.00 H new ATOM 188 N LYS A 14 -0.619 -1.802 -7.214 1.00 0.00 N ATOM 189 CA LYS A 14 -2.045 -1.510 -7.118 1.00 0.00 C ATOM 190 C LYS A 14 -2.335 -0.813 -5.782 1.00 0.00 C ATOM 191 O LYS A 14 -3.032 0.211 -5.744 1.00 0.00 O ATOM 192 CB LYS A 14 -2.880 -2.793 -7.229 1.00 0.00 C ATOM 193 CG LYS A 14 -2.832 -3.571 -8.560 1.00 0.00 C ATOM 194 CD LYS A 14 -3.746 -2.999 -9.665 1.00 0.00 C ATOM 195 CE LYS A 14 -3.220 -1.721 -10.294 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.121 -1.210 -11.342 1.00 0.00 N ATOM 0 H LYS A 14 -0.402 -2.796 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.321 -0.854 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.562 -3.469 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.920 -2.534 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.805 -3.581 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.114 -4.607 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.873 -3.751 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.733 -2.806 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.095 -0.962 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.235 -1.906 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.725 -0.337 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.221 -1.923 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.054 -1.008 -10.930 1.00 0.00 H new ATOM 210 N VAL A 15 -1.800 -1.388 -4.698 1.00 0.00 N ATOM 211 CA VAL A 15 -1.882 -0.793 -3.357 1.00 0.00 C ATOM 212 C VAL A 15 -1.303 0.623 -3.384 1.00 0.00 C ATOM 213 O VAL A 15 -1.915 1.558 -2.859 1.00 0.00 O ATOM 214 CB VAL A 15 -1.094 -1.621 -2.290 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.190 -0.982 -0.906 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.566 -3.066 -2.237 1.00 0.00 C ATOM 0 H VAL A 15 -1.299 -2.276 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.936 -0.783 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.048 -1.618 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.631 -1.583 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.772 0.024 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.235 -0.931 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.994 -3.608 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.625 -3.094 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.418 -3.533 -3.211 1.00 0.00 H new ATOM 226 N ILE A 16 -0.130 0.761 -4.029 1.00 0.00 N ATOM 227 CA ILE A 16 0.573 2.038 -4.176 1.00 0.00 C ATOM 228 C ILE A 16 -0.345 3.090 -4.751 1.00 0.00 C ATOM 229 O ILE A 16 -0.443 4.158 -4.222 1.00 0.00 O ATOM 230 CB ILE A 16 1.852 1.917 -5.073 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.895 0.995 -4.439 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.470 3.282 -5.370 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.414 1.465 -3.099 1.00 0.00 C ATOM 0 H ILE A 16 0.357 -0.022 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 16 0.891 2.334 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 16 1.530 1.478 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.459 0.003 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.736 0.893 -5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.354 3.153 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.744 3.904 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.754 3.764 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.148 0.752 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.882 2.443 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.586 1.539 -2.394 1.00 0.00 H new ATOM 245 N ASP A 17 -1.039 2.745 -5.803 1.00 0.00 N ATOM 246 CA ASP A 17 -1.981 3.657 -6.459 1.00 0.00 C ATOM 247 C ASP A 17 -3.070 4.148 -5.498 1.00 0.00 C ATOM 248 O ASP A 17 -3.364 5.353 -5.412 1.00 0.00 O ATOM 249 CB ASP A 17 -2.597 2.966 -7.678 1.00 0.00 C ATOM 250 CG ASP A 17 -3.804 3.678 -8.235 1.00 0.00 C ATOM 251 OD1 ASP A 17 -3.654 4.686 -8.955 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.931 3.221 -7.973 1.00 0.00 O ATOM 0 H ASP A 17 -0.978 1.826 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.430 4.539 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.841 2.886 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.881 1.950 -7.404 1.00 0.00 H new ATOM 257 N ILE A 18 -3.603 3.231 -4.735 1.00 0.00 N ATOM 258 CA ILE A 18 -4.680 3.529 -3.807 1.00 0.00 C ATOM 259 C ILE A 18 -4.168 4.377 -2.633 1.00 0.00 C ATOM 260 O ILE A 18 -4.787 5.375 -2.254 1.00 0.00 O ATOM 261 CB ILE A 18 -5.314 2.229 -3.280 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.760 1.358 -4.454 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.504 2.556 -2.388 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.146 -0.048 -4.070 1.00 0.00 C ATOM 0 H ILE A 18 -3.308 2.254 -4.734 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.439 4.099 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.575 1.682 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.609 1.835 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.954 1.314 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.947 1.631 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.171 3.161 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.247 3.111 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.450 -0.598 -4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.293 -0.546 -3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.975 -0.017 -3.362 1.00 0.00 H new ATOM 276 N ILE A 19 -3.058 3.977 -2.052 1.00 0.00 N ATOM 277 CA ILE A 19 -2.459 4.770 -0.974 1.00 0.00 C ATOM 278 C ILE A 19 -1.888 6.114 -1.492 1.00 0.00 C ATOM 279 O ILE A 19 -1.810 7.078 -0.742 1.00 0.00 O ATOM 280 CB ILE A 19 -1.348 4.009 -0.194 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.175 3.676 -1.121 1.00 0.00 C ATOM 282 CG2 ILE A 19 -1.918 2.745 0.446 1.00 0.00 C ATOM 283 CD1 ILE A 19 1.002 3.025 -0.449 1.00 0.00 C ATOM 0 H ILE A 19 -2.552 3.125 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.278 4.968 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.976 4.653 0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.533 3.017 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.162 4.595 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.129 2.224 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.716 3.015 1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.317 2.092 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.780 2.829 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.393 3.688 0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.688 2.085 0.005 1.00 0.00 H new ATOM 295 N ASN A 20 -1.499 6.162 -2.771 1.00 0.00 N ATOM 296 CA ASN A 20 -0.910 7.373 -3.379 1.00 0.00 C ATOM 297 C ASN A 20 -1.985 8.429 -3.526 1.00 0.00 C ATOM 298 O ASN A 20 -1.738 9.627 -3.326 1.00 0.00 O ATOM 299 CB ASN A 20 -0.304 7.060 -4.762 1.00 0.00 C ATOM 300 CG ASN A 20 0.682 8.111 -5.270 1.00 0.00 C ATOM 301 OD1 ASN A 20 0.609 9.290 -4.927 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.597 7.687 -6.113 1.00 0.00 N ATOM 0 H ASN A 20 -1.580 5.374 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.113 7.735 -2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.203 6.096 -4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.113 6.958 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.274 8.343 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.630 6.702 -6.377 1.00 0.00 H new ATOM 309 N THR A 21 -3.182 7.996 -3.872 1.00 0.00 N ATOM 310 CA THR A 21 -4.290 8.897 -3.922 1.00 0.00 C ATOM 311 C THR A 21 -4.631 9.285 -2.479 1.00 0.00 C ATOM 312 O THR A 21 -4.638 10.472 -2.125 1.00 0.00 O ATOM 313 CB THR A 21 -5.500 8.284 -4.693 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.866 7.015 -4.136 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.141 8.060 -6.145 1.00 0.00 C ATOM 0 H THR A 21 -3.400 7.031 -4.119 1.00 0.00 H new ATOM 0 HA THR A 21 -4.031 9.794 -4.484 1.00 0.00 H new ATOM 0 HB THR A 21 -6.330 8.986 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.223 6.334 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.995 7.632 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.873 9.011 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.296 7.375 -6.209 1.00 0.00 H new ATOM 323 N GLY A 22 -4.827 8.254 -1.661 1.00 0.00 N ATOM 324 CA GLY A 22 -4.972 8.362 -0.219 1.00 0.00 C ATOM 325 C GLY A 22 -5.907 9.443 0.278 1.00 0.00 C ATOM 326 O GLY A 22 -5.452 10.456 0.804 1.00 0.00 O ATOM 0 H GLY A 22 -4.891 7.293 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.322 7.403 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.986 8.536 0.213 1.00 0.00 H new ATOM 330 N SER A 23 -7.188 9.241 0.137 1.00 0.00 N ATOM 331 CA SER A 23 -8.138 10.208 0.629 1.00 0.00 C ATOM 332 C SER A 23 -8.723 9.788 1.990 1.00 0.00 C ATOM 333 O SER A 23 -8.198 10.167 3.053 1.00 0.00 O ATOM 334 CB SER A 23 -9.235 10.459 -0.404 1.00 0.00 C ATOM 335 OG SER A 23 -8.676 10.917 -1.627 1.00 0.00 O ATOM 0 H SER A 23 -7.599 8.422 -0.311 1.00 0.00 H new ATOM 0 HA SER A 23 -7.608 11.147 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.797 9.541 -0.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.940 11.197 -0.021 1.00 0.00 H new ATOM 0 HG SER A 23 -9.393 11.071 -2.277 1.00 0.00 H new ATOM 341 N ALA A 24 -9.764 8.986 1.966 1.00 0.00 N ATOM 342 CA ALA A 24 -10.407 8.539 3.183 1.00 0.00 C ATOM 343 C ALA A 24 -9.807 7.227 3.615 1.00 0.00 C ATOM 344 O ALA A 24 -9.819 6.278 2.847 1.00 0.00 O ATOM 345 CB ALA A 24 -11.901 8.385 2.966 1.00 0.00 C ATOM 0 H ALA A 24 -10.187 8.627 1.110 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.248 9.283 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.370 8.048 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.327 9.344 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.081 7.652 2.180 1.00 0.00 H new ATOM 351 N VAL A 25 -9.306 7.168 4.840 1.00 0.00 N ATOM 352 CA VAL A 25 -8.637 5.967 5.370 1.00 0.00 C ATOM 353 C VAL A 25 -9.510 4.730 5.233 1.00 0.00 C ATOM 354 O VAL A 25 -9.069 3.714 4.691 1.00 0.00 O ATOM 355 CB VAL A 25 -8.188 6.149 6.849 1.00 0.00 C ATOM 356 CG1 VAL A 25 -7.495 4.896 7.380 1.00 0.00 C ATOM 357 CG2 VAL A 25 -7.263 7.340 6.974 1.00 0.00 C ATOM 0 H VAL A 25 -9.346 7.944 5.501 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.742 5.824 4.765 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.082 6.322 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.194 5.057 8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.182 4.051 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.613 4.684 6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.957 7.455 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.382 7.183 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.783 8.240 6.647 1.00 0.00 H new ATOM 367 N ALA A 26 -10.757 4.846 5.650 1.00 0.00 N ATOM 368 CA ALA A 26 -11.700 3.744 5.575 1.00 0.00 C ATOM 369 C ALA A 26 -11.917 3.299 4.126 1.00 0.00 C ATOM 370 O ALA A 26 -12.066 2.107 3.847 1.00 0.00 O ATOM 371 CB ALA A 26 -13.017 4.123 6.229 1.00 0.00 C ATOM 0 H ALA A 26 -11.144 5.702 6.048 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.277 2.900 6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.711 3.285 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.845 4.370 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.442 4.987 5.718 1.00 0.00 H new ATOM 377 N THR A 27 -11.868 4.241 3.208 1.00 0.00 N ATOM 378 CA THR A 27 -12.070 3.935 1.814 1.00 0.00 C ATOM 379 C THR A 27 -10.814 3.295 1.218 1.00 0.00 C ATOM 380 O THR A 27 -10.909 2.369 0.417 1.00 0.00 O ATOM 381 CB THR A 27 -12.497 5.193 1.028 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.727 5.695 1.599 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.718 4.886 -0.449 1.00 0.00 C ATOM 0 H THR A 27 -11.690 5.226 3.406 1.00 0.00 H new ATOM 0 HA THR A 27 -12.882 3.212 1.733 1.00 0.00 H new ATOM 0 HB THR A 27 -11.701 5.934 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.011 6.496 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.017 5.796 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.793 4.507 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.502 4.135 -0.551 1.00 0.00 H new ATOM 391 N ILE A 28 -9.643 3.752 1.660 1.00 0.00 N ATOM 392 CA ILE A 28 -8.386 3.191 1.208 1.00 0.00 C ATOM 393 C ILE A 28 -8.334 1.740 1.600 1.00 0.00 C ATOM 394 O ILE A 28 -8.149 0.886 0.751 1.00 0.00 O ATOM 395 CB ILE A 28 -7.178 3.937 1.825 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.224 5.414 1.460 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.857 3.321 1.362 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.259 6.252 2.248 1.00 0.00 C ATOM 0 H ILE A 28 -9.547 4.512 2.333 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.327 3.298 0.125 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.239 3.838 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.007 5.525 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.235 5.789 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.025 3.864 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.815 2.276 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.787 3.383 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.344 7.293 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.489 6.170 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.242 5.902 2.069 1.00 0.00 H new ATOM 410 N ILE A 29 -8.584 1.469 2.880 1.00 0.00 N ATOM 411 CA ILE A 29 -8.578 0.107 3.410 1.00 0.00 C ATOM 412 C ILE A 29 -9.515 -0.785 2.592 1.00 0.00 C ATOM 413 O ILE A 29 -9.149 -1.897 2.214 1.00 0.00 O ATOM 414 CB ILE A 29 -9.030 0.089 4.889 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.108 0.957 5.735 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.055 -1.341 5.437 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.644 1.226 7.112 1.00 0.00 C ATOM 0 H ILE A 29 -8.796 2.184 3.576 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.558 -0.272 3.344 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.041 0.493 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.137 0.469 5.819 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.944 1.906 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.376 -1.326 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.750 -1.943 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.057 -1.773 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.939 1.850 7.662 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.601 1.742 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.782 0.282 7.640 1.00 0.00 H new ATOM 429 N ALA A 30 -10.681 -0.253 2.263 1.00 0.00 N ATOM 430 CA ALA A 30 -11.684 -0.990 1.522 1.00 0.00 C ATOM 431 C ALA A 30 -11.201 -1.297 0.114 1.00 0.00 C ATOM 432 O ALA A 30 -11.339 -2.423 -0.365 1.00 0.00 O ATOM 433 CB ALA A 30 -12.991 -0.212 1.481 1.00 0.00 C ATOM 0 H ALA A 30 -10.956 0.700 2.503 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.859 -1.937 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.734 -0.779 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.349 -0.049 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.827 0.750 0.995 1.00 0.00 H new ATOM 439 N LEU A 31 -10.581 -0.316 -0.520 1.00 0.00 N ATOM 440 CA LEU A 31 -10.121 -0.479 -1.886 1.00 0.00 C ATOM 441 C LEU A 31 -8.920 -1.412 -1.961 1.00 0.00 C ATOM 442 O LEU A 31 -8.848 -2.277 -2.846 1.00 0.00 O ATOM 443 CB LEU A 31 -9.789 0.873 -2.517 1.00 0.00 C ATOM 444 CG LEU A 31 -10.955 1.855 -2.687 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.458 3.169 -3.261 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.043 1.264 -3.578 1.00 0.00 C ATOM 0 H LEU A 31 -10.386 0.598 -0.111 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.934 -0.933 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.024 1.355 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.349 0.693 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.387 2.042 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.296 3.856 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.721 3.605 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.999 2.991 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.858 1.981 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.628 1.042 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.422 0.346 -3.129 1.00 0.00 H new ATOM 458 N VAL A 32 -7.995 -1.268 -1.022 1.00 0.00 N ATOM 459 CA VAL A 32 -6.800 -2.094 -1.023 1.00 0.00 C ATOM 460 C VAL A 32 -7.175 -3.550 -0.740 1.00 0.00 C ATOM 461 O VAL A 32 -6.706 -4.471 -1.426 1.00 0.00 O ATOM 462 CB VAL A 32 -5.730 -1.644 0.009 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.442 -2.342 -0.263 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.485 -0.161 -0.021 1.00 0.00 C ATOM 0 H VAL A 32 -8.049 -0.594 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.359 -1.985 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.115 -1.904 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.695 -2.023 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.588 -3.419 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.100 -2.095 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.729 0.098 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.137 0.130 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.412 0.366 0.207 1.00 0.00 H new ATOM 474 N THR A 33 -8.065 -3.749 0.232 1.00 0.00 N ATOM 475 CA THR A 33 -8.518 -5.081 0.604 1.00 0.00 C ATOM 476 C THR A 33 -9.262 -5.745 -0.570 1.00 0.00 C ATOM 477 O THR A 33 -9.184 -6.949 -0.758 1.00 0.00 O ATOM 478 CB THR A 33 -9.415 -5.027 1.871 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.690 -4.382 2.934 1.00 0.00 O ATOM 480 CG2 THR A 33 -9.827 -6.421 2.332 1.00 0.00 C ATOM 0 H THR A 33 -8.486 -2.997 0.777 1.00 0.00 H new ATOM 0 HA THR A 33 -7.643 -5.687 0.840 1.00 0.00 H new ATOM 0 HB THR A 33 -10.318 -4.470 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.940 -3.435 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.453 -6.340 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.386 -6.916 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.937 -7.004 2.568 1.00 0.00 H new ATOM 488 N ALA A 34 -9.909 -4.936 -1.393 1.00 0.00 N ATOM 489 CA ALA A 34 -10.618 -5.429 -2.565 1.00 0.00 C ATOM 490 C ALA A 34 -9.637 -5.936 -3.617 1.00 0.00 C ATOM 491 O ALA A 34 -9.907 -6.910 -4.333 1.00 0.00 O ATOM 492 CB ALA A 34 -11.476 -4.330 -3.156 1.00 0.00 C ATOM 0 H ALA A 34 -9.958 -3.925 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.255 -6.257 -2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.002 -4.710 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.201 -3.996 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.843 -3.492 -3.448 1.00 0.00 H new ATOM 498 N VAL A 35 -8.495 -5.290 -3.703 1.00 0.00 N ATOM 499 CA VAL A 35 -7.493 -5.652 -4.679 1.00 0.00 C ATOM 500 C VAL A 35 -6.734 -6.885 -4.238 1.00 0.00 C ATOM 501 O VAL A 35 -6.558 -7.824 -5.008 1.00 0.00 O ATOM 502 CB VAL A 35 -6.491 -4.496 -4.930 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.398 -4.920 -5.898 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.209 -3.279 -5.471 1.00 0.00 C ATOM 0 H VAL A 35 -8.237 -4.506 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.019 -5.862 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.030 -4.243 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.710 -4.090 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.854 -5.769 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.846 -5.206 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.490 -2.478 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.698 -3.533 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.957 -2.948 -4.751 1.00 0.00 H new ATOM 514 N VAL A 36 -6.323 -6.901 -2.994 1.00 0.00 N ATOM 515 CA VAL A 36 -5.497 -8.002 -2.511 1.00 0.00 C ATOM 516 C VAL A 36 -6.326 -9.180 -2.030 1.00 0.00 C ATOM 517 O VAL A 36 -5.843 -10.300 -1.994 1.00 0.00 O ATOM 518 CB VAL A 36 -4.485 -7.572 -1.409 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.526 -6.519 -1.945 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.198 -7.065 -0.160 1.00 0.00 C ATOM 0 H VAL A 36 -6.537 -6.183 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.919 -8.321 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.911 -8.454 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.826 -6.231 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.974 -6.927 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.090 -5.644 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.460 -6.774 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.814 -6.203 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.831 -7.855 0.244 1.00 0.00 H new ATOM 530 N GLY A 37 -7.571 -8.925 -1.674 1.00 0.00 N ATOM 531 CA GLY A 37 -8.454 -9.977 -1.213 1.00 0.00 C ATOM 532 C GLY A 37 -7.969 -10.601 0.060 1.00 0.00 C ATOM 533 O GLY A 37 -7.972 -11.835 0.223 1.00 0.00 O ATOM 0 H GLY A 37 -7.993 -7.997 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.453 -9.570 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.537 -10.744 -1.983 1.00 0.00 H new ATOM 537 N GLY A 38 -7.542 -9.765 0.937 1.00 0.00 N ATOM 538 CA GLY A 38 -7.020 -10.181 2.197 1.00 0.00 C ATOM 539 C GLY A 38 -6.948 -9.015 3.127 1.00 0.00 C ATOM 540 O GLY A 38 -6.865 -7.875 2.677 1.00 0.00 O ATOM 0 H GLY A 38 -7.544 -8.754 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.653 -10.959 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.028 -10.614 2.065 1.00 0.00 H new ATOM 544 N GLY A 39 -6.871 -9.283 4.399 1.00 0.00 N ATOM 545 CA GLY A 39 -6.906 -8.238 5.394 1.00 0.00 C ATOM 546 C GLY A 39 -5.526 -7.888 5.823 1.00 0.00 C ATOM 547 O GLY A 39 -5.268 -7.606 6.983 1.00 0.00 O ATOM 0 H GLY A 39 -6.783 -10.225 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.403 -7.357 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.490 -8.565 6.254 1.00 0.00 H new ATOM 551 N LEU A 40 -4.642 -7.956 4.876 1.00 0.00 N ATOM 552 CA LEU A 40 -3.242 -7.676 5.074 1.00 0.00 C ATOM 553 C LEU A 40 -3.015 -6.173 5.234 1.00 0.00 C ATOM 554 O LEU A 40 -2.392 -5.717 6.210 1.00 0.00 O ATOM 555 CB LEU A 40 -2.440 -8.234 3.895 1.00 0.00 C ATOM 556 CG LEU A 40 -2.500 -9.754 3.688 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.716 -10.153 2.449 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.965 -10.490 4.908 1.00 0.00 C ATOM 0 H LEU A 40 -4.874 -8.214 3.917 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.901 -8.160 5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.791 -7.751 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.396 -7.948 4.026 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.544 -10.035 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.769 -11.234 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.141 -9.660 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.675 -9.852 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.018 -11.565 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.928 -10.201 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.565 -10.232 5.781 1.00 0.00 H new ATOM 570 N ILE A 41 -3.516 -5.392 4.300 1.00 0.00 N ATOM 571 CA ILE A 41 -3.372 -3.978 4.412 1.00 0.00 C ATOM 572 C ILE A 41 -4.463 -3.447 5.309 1.00 0.00 C ATOM 573 O ILE A 41 -5.616 -3.288 4.900 1.00 0.00 O ATOM 574 CB ILE A 41 -3.346 -3.200 3.047 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.220 -3.707 2.117 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.165 -1.704 3.295 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.501 -5.025 1.421 1.00 0.00 C ATOM 0 H ILE A 41 -4.016 -5.716 3.473 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.386 -3.801 4.843 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.301 -3.380 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.028 -2.948 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.307 -3.811 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.149 -1.176 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.992 -1.333 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.225 -1.533 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.652 -5.293 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.661 -5.804 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.393 -4.927 0.802 1.00 0.00 H new ATOM 589 N THR A 42 -4.114 -3.266 6.535 1.00 0.00 N ATOM 590 CA THR A 42 -5.002 -2.730 7.516 1.00 0.00 C ATOM 591 C THR A 42 -4.749 -1.240 7.634 1.00 0.00 C ATOM 592 O THR A 42 -3.888 -0.705 6.922 1.00 0.00 O ATOM 593 CB THR A 42 -4.697 -3.382 8.866 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.284 -3.250 9.120 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.081 -4.852 8.865 1.00 0.00 C ATOM 0 H THR A 42 -3.186 -3.490 6.894 1.00 0.00 H new ATOM 0 HA THR A 42 -6.037 -2.920 7.230 1.00 0.00 H new ATOM 0 HB THR A 42 -5.278 -2.887 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.067 -3.661 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.853 -5.288 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.148 -4.949 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.518 -5.375 8.092 1.00 0.00 H new ATOM 603 N ALA A 43 -5.468 -0.579 8.530 1.00 0.00 N ATOM 604 CA ALA A 43 -5.306 0.850 8.776 1.00 0.00 C ATOM 605 C ALA A 43 -3.862 1.175 9.125 1.00 0.00 C ATOM 606 O ALA A 43 -3.316 2.188 8.680 1.00 0.00 O ATOM 607 CB ALA A 43 -6.223 1.291 9.896 1.00 0.00 C ATOM 0 H ALA A 43 -6.183 -1.019 9.110 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.570 1.389 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.095 2.359 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.258 1.091 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.978 0.741 10.805 1.00 0.00 H new ATOM 613 N GLY A 44 -3.239 0.278 9.882 1.00 0.00 N ATOM 614 CA GLY A 44 -1.870 0.445 10.267 1.00 0.00 C ATOM 615 C GLY A 44 -0.956 0.401 9.082 1.00 0.00 C ATOM 616 O GLY A 44 -0.033 1.205 8.975 1.00 0.00 O ATOM 0 H GLY A 44 -3.677 -0.573 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.750 1.397 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.591 -0.338 10.972 1.00 0.00 H new ATOM 620 N ILE A 45 -1.238 -0.498 8.156 1.00 0.00 N ATOM 621 CA ILE A 45 -0.422 -0.633 6.974 1.00 0.00 C ATOM 622 C ILE A 45 -0.639 0.566 6.065 1.00 0.00 C ATOM 623 O ILE A 45 0.312 1.098 5.517 1.00 0.00 O ATOM 624 CB ILE A 45 -0.699 -1.964 6.223 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.441 -3.164 7.151 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.155 -2.081 4.957 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.980 -3.253 7.692 1.00 0.00 C ATOM 0 H ILE A 45 -2.027 -1.143 8.204 1.00 0.00 H new ATOM 0 HA ILE A 45 0.623 -0.663 7.283 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.746 -1.965 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.133 -3.112 7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.667 -4.082 6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.064 -3.024 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.073 -1.252 4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.211 -2.050 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.070 -4.128 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.681 -3.340 6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.208 -2.355 8.266 1.00 0.00 H new ATOM 639 N VAL A 46 -1.890 1.014 5.966 1.00 0.00 N ATOM 640 CA VAL A 46 -2.243 2.203 5.185 1.00 0.00 C ATOM 641 C VAL A 46 -1.461 3.416 5.688 1.00 0.00 C ATOM 642 O VAL A 46 -0.753 4.068 4.917 1.00 0.00 O ATOM 643 CB VAL A 46 -3.778 2.509 5.247 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.111 3.823 4.553 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.574 1.384 4.614 1.00 0.00 C ATOM 0 H VAL A 46 -2.685 0.567 6.422 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.981 1.998 4.147 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.050 2.595 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.184 4.005 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.576 4.638 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.812 3.768 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.638 1.616 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.279 1.272 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.378 0.454 5.148 1.00 0.00 H new ATOM 655 N ALA A 47 -1.560 3.675 6.989 1.00 0.00 N ATOM 656 CA ALA A 47 -0.877 4.795 7.627 1.00 0.00 C ATOM 657 C ALA A 47 0.633 4.702 7.420 1.00 0.00 C ATOM 658 O ALA A 47 1.292 5.696 7.085 1.00 0.00 O ATOM 659 CB ALA A 47 -1.214 4.842 9.112 1.00 0.00 C ATOM 0 H ALA A 47 -2.118 3.112 7.631 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.223 5.718 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.698 5.682 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.290 4.963 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.896 3.914 9.587 1.00 0.00 H new ATOM 665 N THR A 48 1.168 3.500 7.573 1.00 0.00 N ATOM 666 CA THR A 48 2.583 3.266 7.388 1.00 0.00 C ATOM 667 C THR A 48 2.986 3.537 5.931 1.00 0.00 C ATOM 668 O THR A 48 3.882 4.327 5.667 1.00 0.00 O ATOM 669 CB THR A 48 2.961 1.816 7.765 1.00 0.00 C ATOM 670 OG1 THR A 48 2.534 1.541 9.111 1.00 0.00 O ATOM 671 CG2 THR A 48 4.463 1.602 7.655 1.00 0.00 C ATOM 0 H THR A 48 0.634 2.669 7.827 1.00 0.00 H new ATOM 0 HA THR A 48 3.120 3.950 8.045 1.00 0.00 H new ATOM 0 HB THR A 48 2.462 1.138 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.560 1.437 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.705 0.574 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.784 1.793 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.978 2.285 8.330 1.00 0.00 H new ATOM 679 N ALA A 49 2.268 2.924 5.004 1.00 0.00 N ATOM 680 CA ALA A 49 2.558 3.026 3.588 1.00 0.00 C ATOM 681 C ALA A 49 2.468 4.468 3.089 1.00 0.00 C ATOM 682 O ALA A 49 3.329 4.912 2.331 1.00 0.00 O ATOM 683 CB ALA A 49 1.654 2.103 2.799 1.00 0.00 C ATOM 0 H ALA A 49 1.461 2.337 5.218 1.00 0.00 H new ATOM 0 HA ALA A 49 3.589 2.709 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.883 2.190 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.814 1.074 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.614 2.379 2.970 1.00 0.00 H new ATOM 689 N LYS A 50 1.454 5.206 3.554 1.00 0.00 N ATOM 690 CA LYS A 50 1.303 6.621 3.198 1.00 0.00 C ATOM 691 C LYS A 50 2.503 7.426 3.697 1.00 0.00 C ATOM 692 O LYS A 50 2.968 8.373 3.035 1.00 0.00 O ATOM 693 CB LYS A 50 0.007 7.219 3.776 1.00 0.00 C ATOM 694 CG LYS A 50 -1.286 6.652 3.191 1.00 0.00 C ATOM 695 CD LYS A 50 -2.549 7.296 3.806 1.00 0.00 C ATOM 696 CE LYS A 50 -2.880 8.715 3.270 1.00 0.00 C ATOM 697 NZ LYS A 50 -1.822 9.736 3.512 1.00 0.00 N ATOM 0 H LYS A 50 0.728 4.849 4.175 1.00 0.00 H new ATOM 0 HA LYS A 50 1.250 6.678 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.001 7.059 4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.019 8.297 3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.292 6.808 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.314 5.575 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.401 6.643 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.422 7.351 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.064 8.649 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.807 9.056 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.253 10.682 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.351 9.540 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.123 9.700 2.743 1.00 0.00 H new ATOM 711 N SER A 51 3.021 7.033 4.834 1.00 0.00 N ATOM 712 CA SER A 51 4.148 7.699 5.405 1.00 0.00 C ATOM 713 C SER A 51 5.418 7.330 4.648 1.00 0.00 C ATOM 714 O SER A 51 6.224 8.202 4.329 1.00 0.00 O ATOM 715 CB SER A 51 4.248 7.362 6.883 1.00 0.00 C ATOM 716 OG SER A 51 3.029 7.709 7.543 1.00 0.00 O ATOM 0 H SER A 51 2.671 6.247 5.381 1.00 0.00 H new ATOM 0 HA SER A 51 4.020 8.778 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.451 6.299 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.082 7.901 7.333 1.00 0.00 H new ATOM 0 HG SER A 51 2.442 6.925 7.579 1.00 0.00 H new ATOM 722 N LEU A 52 5.557 6.052 4.303 1.00 0.00 N ATOM 723 CA LEU A 52 6.718 5.568 3.578 1.00 0.00 C ATOM 724 C LEU A 52 6.810 6.222 2.204 1.00 0.00 C ATOM 725 O LEU A 52 7.890 6.605 1.783 1.00 0.00 O ATOM 726 CB LEU A 52 6.686 4.049 3.424 1.00 0.00 C ATOM 727 CG LEU A 52 6.548 3.230 4.709 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.366 1.782 4.370 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.748 3.405 5.621 1.00 0.00 C ATOM 0 H LEU A 52 4.869 5.330 4.519 1.00 0.00 H new ATOM 0 HA LEU A 52 7.599 5.837 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.856 3.791 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.601 3.739 2.920 1.00 0.00 H new ATOM 0 HG LEU A 52 5.672 3.594 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.268 1.203 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.467 1.660 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.231 1.428 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.611 2.807 6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.650 3.078 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.847 4.456 5.894 1.00 0.00 H new ATOM 741 N ILE A 53 5.676 6.378 1.519 1.00 0.00 N ATOM 742 CA ILE A 53 5.679 7.009 0.192 1.00 0.00 C ATOM 743 C ILE A 53 5.922 8.510 0.291 1.00 0.00 C ATOM 744 O ILE A 53 6.355 9.141 -0.669 1.00 0.00 O ATOM 745 CB ILE A 53 4.386 6.747 -0.645 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.153 7.390 0.011 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.171 5.256 -0.832 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.871 7.240 -0.783 1.00 0.00 C ATOM 0 H ILE A 53 4.758 6.083 1.851 1.00 0.00 H new ATOM 0 HA ILE A 53 6.503 6.532 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 53 4.521 7.209 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.009 6.948 0.997 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.350 8.451 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.266 5.089 -1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.026 4.828 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.066 4.779 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.053 7.722 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.991 7.708 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.645 6.182 -0.913 1.00 0.00 H new ATOM 760 N LYS A 54 5.612 9.084 1.442 1.00 0.00 N ATOM 761 CA LYS A 54 5.842 10.497 1.666 1.00 0.00 C ATOM 762 C LYS A 54 7.342 10.787 1.846 1.00 0.00 C ATOM 763 O LYS A 54 7.843 11.820 1.411 1.00 0.00 O ATOM 764 CB LYS A 54 5.043 10.970 2.888 1.00 0.00 C ATOM 765 CG LYS A 54 5.120 12.471 3.160 1.00 0.00 C ATOM 766 CD LYS A 54 4.289 12.872 4.379 1.00 0.00 C ATOM 767 CE LYS A 54 2.799 12.565 4.203 1.00 0.00 C ATOM 768 NZ LYS A 54 2.195 13.273 3.048 1.00 0.00 N ATOM 0 H LYS A 54 5.200 8.591 2.234 1.00 0.00 H new ATOM 0 HA LYS A 54 5.501 11.049 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.998 10.693 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.402 10.436 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.159 12.759 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.768 13.017 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.663 12.347 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.417 13.938 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.668 11.491 4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.266 12.844 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.166 13.122 3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.396 14.291 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.599 12.903 2.164 1.00 0.00 H new ATOM 782 N LYS A 55 8.052 9.870 2.461 1.00 0.00 N ATOM 783 CA LYS A 55 9.471 10.069 2.729 1.00 0.00 C ATOM 784 C LYS A 55 10.381 9.310 1.776 1.00 0.00 C ATOM 785 O LYS A 55 11.204 9.906 1.081 1.00 0.00 O ATOM 786 CB LYS A 55 9.806 9.734 4.195 1.00 0.00 C ATOM 787 CG LYS A 55 9.212 8.438 4.701 1.00 0.00 C ATOM 788 CD LYS A 55 9.368 8.279 6.197 1.00 0.00 C ATOM 789 CE LYS A 55 8.517 9.282 6.970 1.00 0.00 C ATOM 790 NZ LYS A 55 8.607 9.078 8.428 1.00 0.00 N ATOM 0 H LYS A 55 7.678 8.979 2.787 1.00 0.00 H new ATOM 0 HA LYS A 55 9.666 11.127 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.890 9.688 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.456 10.549 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.154 8.401 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.693 7.600 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.086 7.266 6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.416 8.408 6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.839 10.294 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.477 9.193 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.014 9.780 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.276 8.121 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.595 9.188 8.734 1.00 0.00 H new ATOM 804 N TYR A 56 10.228 8.019 1.744 1.00 0.00 N ATOM 805 CA TYR A 56 11.107 7.154 0.991 1.00 0.00 C ATOM 806 C TYR A 56 10.639 7.055 -0.448 1.00 0.00 C ATOM 807 O TYR A 56 11.445 7.088 -1.376 1.00 0.00 O ATOM 808 CB TYR A 56 11.160 5.773 1.652 1.00 0.00 C ATOM 809 CG TYR A 56 11.392 5.829 3.153 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.332 6.687 3.710 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.671 5.020 4.005 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.538 6.728 5.069 1.00 0.00 C ATOM 813 CE2 TYR A 56 10.869 5.052 5.365 1.00 0.00 C ATOM 814 CZ TYR A 56 11.803 5.904 5.895 1.00 0.00 C ATOM 815 OH TYR A 56 11.997 5.942 7.263 1.00 0.00 O ATOM 0 H TYR A 56 9.486 7.527 2.241 1.00 0.00 H new ATOM 0 HA TYR A 56 12.113 7.574 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.225 5.249 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.956 5.188 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.910 7.332 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.934 4.346 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.271 7.402 5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.292 4.409 6.013 1.00 0.00 H new ATOM 0 HH TYR A 56 11.398 5.299 7.696 1.00 0.00 H new ATOM 825 N GLY A 57 9.350 6.933 -0.635 1.00 0.00 N ATOM 826 CA GLY A 57 8.812 6.930 -1.969 1.00 0.00 C ATOM 827 C GLY A 57 7.955 5.723 -2.283 1.00 0.00 C ATOM 828 O GLY A 57 7.942 4.730 -1.532 1.00 0.00 O ATOM 0 H GLY A 57 8.661 6.836 0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.218 7.832 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.635 6.974 -2.682 1.00 0.00 H new ATOM 832 N ALA A 58 7.260 5.809 -3.398 1.00 0.00 N ATOM 833 CA ALA A 58 6.351 4.776 -3.880 1.00 0.00 C ATOM 834 C ALA A 58 7.101 3.510 -4.279 1.00 0.00 C ATOM 835 O ALA A 58 6.581 2.396 -4.160 1.00 0.00 O ATOM 836 CB ALA A 58 5.536 5.311 -5.056 1.00 0.00 C ATOM 0 H ALA A 58 7.309 6.620 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 58 5.676 4.511 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.859 4.535 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.958 6.177 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.209 5.603 -5.862 1.00 0.00 H new ATOM 842 N LYS A 59 8.320 3.678 -4.735 1.00 0.00 N ATOM 843 CA LYS A 59 9.149 2.557 -5.138 1.00 0.00 C ATOM 844 C LYS A 59 9.577 1.770 -3.897 1.00 0.00 C ATOM 845 O LYS A 59 9.594 0.527 -3.898 1.00 0.00 O ATOM 846 CB LYS A 59 10.366 3.077 -5.888 1.00 0.00 C ATOM 847 CG LYS A 59 11.243 2.012 -6.530 1.00 0.00 C ATOM 848 CD LYS A 59 12.514 2.635 -7.095 1.00 0.00 C ATOM 849 CE LYS A 59 12.211 3.728 -8.116 1.00 0.00 C ATOM 850 NZ LYS A 59 13.434 4.391 -8.615 1.00 0.00 N ATOM 0 H LYS A 59 8.767 4.589 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 59 8.587 1.894 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.027 3.761 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.977 3.658 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.501 1.252 -5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.692 1.510 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.105 3.054 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.120 1.860 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.668 3.295 -8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.557 4.473 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.174 5.125 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.941 4.828 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.048 3.687 -9.072 1.00 0.00 H new ATOM 864 N TYR A 60 9.864 2.505 -2.822 1.00 0.00 N ATOM 865 CA TYR A 60 10.264 1.909 -1.561 1.00 0.00 C ATOM 866 C TYR A 60 9.121 1.100 -1.017 1.00 0.00 C ATOM 867 O TYR A 60 9.290 -0.050 -0.608 1.00 0.00 O ATOM 868 CB TYR A 60 10.657 3.002 -0.536 1.00 0.00 C ATOM 869 CG TYR A 60 10.911 2.476 0.881 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.859 2.302 1.780 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.180 2.139 1.303 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.069 1.808 3.046 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.403 1.638 2.576 1.00 0.00 C ATOM 874 CZ TYR A 60 11.338 1.474 3.441 1.00 0.00 C ATOM 875 OH TYR A 60 11.552 0.986 4.716 1.00 0.00 O ATOM 0 H TYR A 60 9.824 3.524 -2.807 1.00 0.00 H new ATOM 0 HA TYR A 60 11.130 1.270 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.555 3.509 -0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.864 3.749 -0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.856 2.561 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.015 2.268 0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.239 1.684 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.403 1.377 2.890 1.00 0.00 H new ATOM 0 HH TYR A 60 12.506 0.796 4.838 1.00 0.00 H new ATOM 885 N ALA A 61 7.957 1.709 -1.024 1.00 0.00 N ATOM 886 CA ALA A 61 6.781 1.100 -0.486 1.00 0.00 C ATOM 887 C ALA A 61 6.371 -0.119 -1.273 1.00 0.00 C ATOM 888 O ALA A 61 5.938 -1.078 -0.693 1.00 0.00 O ATOM 889 CB ALA A 61 5.666 2.083 -0.409 1.00 0.00 C ATOM 0 H ALA A 61 7.808 2.643 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 61 7.018 0.768 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.781 1.598 0.003 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.957 2.914 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.442 2.458 -1.408 1.00 0.00 H new ATOM 895 N ALA A 62 6.534 -0.084 -2.591 1.00 0.00 N ATOM 896 CA ALA A 62 6.207 -1.234 -3.433 1.00 0.00 C ATOM 897 C ALA A 62 7.034 -2.445 -3.017 1.00 0.00 C ATOM 898 O ALA A 62 6.527 -3.576 -2.946 1.00 0.00 O ATOM 899 CB ALA A 62 6.429 -0.907 -4.899 1.00 0.00 C ATOM 0 H ALA A 62 6.890 0.725 -3.100 1.00 0.00 H new ATOM 0 HA ALA A 62 5.152 -1.474 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.180 -1.776 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.793 -0.069 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.474 -0.640 -5.058 1.00 0.00 H new ATOM 905 N ALA A 63 8.297 -2.193 -2.702 1.00 0.00 N ATOM 906 CA ALA A 63 9.187 -3.224 -2.222 1.00 0.00 C ATOM 907 C ALA A 63 8.771 -3.653 -0.816 1.00 0.00 C ATOM 908 O ALA A 63 8.607 -4.836 -0.543 1.00 0.00 O ATOM 909 CB ALA A 63 10.621 -2.715 -2.223 1.00 0.00 C ATOM 0 H ALA A 63 8.726 -1.270 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 63 9.126 -4.088 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.286 -3.499 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.908 -2.437 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.698 -1.844 -1.573 1.00 0.00 H new ATOM 915 N TRP A 64 8.550 -2.664 0.043 1.00 0.00 N ATOM 916 CA TRP A 64 8.170 -2.877 1.441 1.00 0.00 C ATOM 917 C TRP A 64 6.875 -3.687 1.560 1.00 0.00 C ATOM 918 O TRP A 64 6.803 -4.654 2.335 1.00 0.00 O ATOM 919 CB TRP A 64 8.018 -1.520 2.157 1.00 0.00 C ATOM 920 CG TRP A 64 7.634 -1.628 3.601 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.477 -1.724 4.655 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.303 -1.647 4.150 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.764 -1.811 5.819 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.431 -1.766 5.540 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.020 -1.576 3.598 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.332 -1.818 6.390 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.933 -1.624 4.445 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.092 -1.744 5.821 1.00 0.00 C ATOM 0 H TRP A 64 8.630 -1.679 -0.211 1.00 0.00 H new ATOM 0 HA TRP A 64 8.963 -3.453 1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 64 8.959 -0.975 2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.265 -0.929 1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.555 -1.731 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.168 -1.896 6.752 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.883 -1.485 2.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.454 -1.913 7.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.937 -1.567 4.031 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.217 -1.779 6.453 1.00 0.00 H new TER 939 TRP A 64