USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 483 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 Single : A 1 LEU N :NH3+ 152:sc= 1.21 (180deg=-0.602) USER MOD Single : A 2 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 4 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -1.14 (180deg=-2.82!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00165 X(o=-0.0017,f=-0.046) USER MOD Single : A 21 THR OG1 : rot -86:sc= 0.765 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.5 USER MOD Single : A 33 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0.743 (180deg=0.684) USER MOD Single : A 51 SER OG : rot 86:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0064) 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+ -159:sc= -0.0921 (180deg=-0.578) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.098 -3.266 1.050 1.00 0.00 N ATOM 2 CA LEU A 1 4.846 -4.011 1.036 1.00 0.00 C ATOM 3 C LEU A 1 5.109 -5.442 0.659 1.00 0.00 C ATOM 4 O LEU A 1 4.773 -6.364 1.394 1.00 0.00 O ATOM 5 CB LEU A 1 3.865 -3.412 0.016 1.00 0.00 C ATOM 6 CG LEU A 1 3.250 -2.050 0.330 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.492 -1.544 -0.879 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.307 -2.154 1.508 1.00 0.00 C ATOM 0 H1 LEU A 1 5.909 -2.266 0.837 1.00 0.00 H new ATOM 0 HA LEU A 1 4.410 -3.955 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.383 -3.332 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.050 -4.123 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 1 4.051 -1.354 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.054 -0.572 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.176 -1.447 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.700 -2.249 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.878 -1.174 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.508 -2.858 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.855 -2.505 2.383 1.00 0.00 H new ATOM 20 N THR A 2 5.770 -5.602 -0.459 1.00 0.00 N ATOM 21 CA THR A 2 6.078 -6.895 -1.011 1.00 0.00 C ATOM 22 C THR A 2 6.870 -7.736 -0.020 1.00 0.00 C ATOM 23 O THR A 2 6.503 -8.878 0.245 1.00 0.00 O ATOM 24 CB THR A 2 6.877 -6.731 -2.319 1.00 0.00 C ATOM 25 OG1 THR A 2 6.144 -5.942 -3.262 1.00 0.00 O ATOM 26 CG2 THR A 2 7.222 -8.062 -2.919 1.00 0.00 C ATOM 0 H THR A 2 6.115 -4.823 -1.020 1.00 0.00 H new ATOM 0 HA THR A 2 5.140 -7.409 -1.223 1.00 0.00 H new ATOM 0 HB THR A 2 7.807 -6.217 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.381 -4.997 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.785 -7.911 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.826 -8.633 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.306 -8.610 -3.140 1.00 0.00 H new ATOM 34 N ALA A 3 7.899 -7.134 0.538 1.00 0.00 N ATOM 35 CA ALA A 3 8.801 -7.781 1.486 1.00 0.00 C ATOM 36 C ALA A 3 8.089 -8.251 2.754 1.00 0.00 C ATOM 37 O ALA A 3 8.258 -9.390 3.183 1.00 0.00 O ATOM 38 CB ALA A 3 9.940 -6.835 1.851 1.00 0.00 C ATOM 0 H ALA A 3 8.142 -6.162 0.346 1.00 0.00 H new ATOM 0 HA ALA A 3 9.197 -8.669 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.608 -7.326 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.496 -6.570 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.532 -5.932 2.304 1.00 0.00 H new ATOM 44 N ASN A 4 7.274 -7.390 3.322 1.00 0.00 N ATOM 45 CA ASN A 4 6.630 -7.674 4.606 1.00 0.00 C ATOM 46 C ASN A 4 5.430 -8.564 4.464 1.00 0.00 C ATOM 47 O ASN A 4 5.248 -9.512 5.235 1.00 0.00 O ATOM 48 CB ASN A 4 6.255 -6.376 5.350 1.00 0.00 C ATOM 49 CG ASN A 4 7.450 -5.687 5.968 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.798 -5.938 7.126 1.00 0.00 O ATOM 51 ND2 ASN A 4 8.089 -4.827 5.222 1.00 0.00 N ATOM 0 H ASN A 4 7.035 -6.483 2.922 1.00 0.00 H new ATOM 0 HA ASN A 4 7.365 -8.214 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.767 -5.693 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.531 -6.607 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.904 -4.338 5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.773 -4.644 4.269 1.00 0.00 H new ATOM 58 N LEU A 5 4.626 -8.296 3.476 1.00 0.00 N ATOM 59 CA LEU A 5 3.400 -9.033 3.289 1.00 0.00 C ATOM 60 C LEU A 5 3.661 -10.308 2.519 1.00 0.00 C ATOM 61 O LEU A 5 2.955 -11.299 2.691 1.00 0.00 O ATOM 62 CB LEU A 5 2.435 -8.171 2.513 1.00 0.00 C ATOM 63 CG LEU A 5 2.146 -6.801 3.111 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.475 -5.941 2.083 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.280 -6.917 4.359 1.00 0.00 C ATOM 0 H LEU A 5 4.795 -7.569 2.781 1.00 0.00 H new ATOM 0 HA LEU A 5 2.983 -9.293 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.829 -8.032 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.493 -8.710 2.415 1.00 0.00 H new ATOM 0 HG LEU A 5 3.089 -6.342 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.267 -4.960 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.129 -5.830 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.540 -6.407 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.090 -5.923 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.333 -7.391 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.797 -7.520 5.106 1.00 0.00 H new ATOM 77 N GLY A 6 4.694 -10.292 1.692 1.00 0.00 N ATOM 78 CA GLY A 6 5.014 -11.461 0.908 1.00 0.00 C ATOM 79 C GLY A 6 4.048 -11.573 -0.220 1.00 0.00 C ATOM 80 O GLY A 6 3.486 -12.643 -0.487 1.00 0.00 O ATOM 0 H GLY A 6 5.313 -9.494 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.032 -11.389 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.970 -12.355 1.531 1.00 0.00 H new ATOM 84 N ILE A 7 3.832 -10.465 -0.872 1.00 0.00 N ATOM 85 CA ILE A 7 2.841 -10.393 -1.923 1.00 0.00 C ATOM 86 C ILE A 7 3.474 -10.278 -3.285 1.00 0.00 C ATOM 87 O ILE A 7 4.711 -10.228 -3.415 1.00 0.00 O ATOM 88 CB ILE A 7 1.836 -9.232 -1.718 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.559 -7.879 -1.593 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.951 -9.500 -0.510 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.627 -6.687 -1.503 1.00 0.00 C ATOM 0 H ILE A 7 4.329 -9.592 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 7 2.289 -11.331 -1.868 1.00 0.00 H new ATOM 0 HB ILE A 7 1.199 -9.177 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.194 -7.898 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.216 -7.749 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.251 -8.674 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.396 -10.425 -0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.571 -9.593 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.213 -5.772 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.010 -6.639 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.987 -6.791 -0.627 1.00 0.00 H new ATOM 103 N SER A 8 2.639 -10.255 -4.290 1.00 0.00 N ATOM 104 CA SER A 8 3.084 -10.133 -5.634 1.00 0.00 C ATOM 105 C SER A 8 3.444 -8.677 -5.935 1.00 0.00 C ATOM 106 O SER A 8 2.923 -7.741 -5.289 1.00 0.00 O ATOM 107 CB SER A 8 1.989 -10.644 -6.576 1.00 0.00 C ATOM 108 OG SER A 8 0.753 -9.986 -6.333 1.00 0.00 O ATOM 0 H SER A 8 1.626 -10.321 -4.188 1.00 0.00 H new ATOM 0 HA SER A 8 3.980 -10.735 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.292 -10.484 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.864 -11.719 -6.443 1.00 0.00 H new ATOM 0 HG SER A 8 0.073 -10.330 -6.949 1.00 0.00 H new ATOM 114 N SER A 9 4.316 -8.482 -6.903 1.00 0.00 N ATOM 115 CA SER A 9 4.729 -7.166 -7.317 1.00 0.00 C ATOM 116 C SER A 9 3.540 -6.441 -7.933 1.00 0.00 C ATOM 117 O SER A 9 3.427 -5.213 -7.847 1.00 0.00 O ATOM 118 CB SER A 9 5.887 -7.271 -8.327 1.00 0.00 C ATOM 119 OG SER A 9 6.388 -5.989 -8.696 1.00 0.00 O ATOM 0 H SER A 9 4.758 -9.239 -7.424 1.00 0.00 H new ATOM 0 HA SER A 9 5.082 -6.601 -6.454 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.692 -7.865 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.545 -7.797 -9.218 1.00 0.00 H new ATOM 0 HG SER A 9 7.122 -6.097 -9.336 1.00 0.00 H new ATOM 125 N TYR A 10 2.646 -7.215 -8.524 1.00 0.00 N ATOM 126 CA TYR A 10 1.454 -6.685 -9.131 1.00 0.00 C ATOM 127 C TYR A 10 0.559 -6.086 -8.047 1.00 0.00 C ATOM 128 O TYR A 10 0.165 -4.924 -8.138 1.00 0.00 O ATOM 129 CB TYR A 10 0.714 -7.793 -9.888 1.00 0.00 C ATOM 130 CG TYR A 10 -0.339 -7.299 -10.864 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.623 -6.949 -10.450 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.045 -7.206 -12.218 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.567 -6.520 -11.361 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.984 -6.775 -13.129 1.00 0.00 C ATOM 135 CZ TYR A 10 -2.240 -6.436 -12.698 1.00 0.00 C ATOM 136 OH TYR A 10 -3.189 -6.013 -13.613 1.00 0.00 O ATOM 0 H TYR A 10 2.733 -8.229 -8.592 1.00 0.00 H new ATOM 0 HA TYR A 10 1.722 -5.904 -9.843 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.444 -8.392 -10.434 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.237 -8.454 -9.164 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.882 -7.014 -9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.941 -7.477 -12.564 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.558 -6.251 -11.028 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.732 -6.705 -14.177 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.798 -6.009 -14.512 1.00 0.00 H new ATOM 146 N ALA A 11 0.297 -6.868 -6.995 1.00 0.00 N ATOM 147 CA ALA A 11 -0.573 -6.436 -5.902 1.00 0.00 C ATOM 148 C ALA A 11 -0.001 -5.241 -5.178 1.00 0.00 C ATOM 149 O ALA A 11 -0.726 -4.296 -4.890 1.00 0.00 O ATOM 150 CB ALA A 11 -0.841 -7.571 -4.929 1.00 0.00 C ATOM 0 H ALA A 11 0.678 -7.807 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.523 -6.137 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.491 -7.218 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.327 -8.393 -5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.102 -7.917 -4.505 1.00 0.00 H new ATOM 156 N ALA A 12 1.301 -5.267 -4.920 1.00 0.00 N ATOM 157 CA ALA A 12 1.969 -4.166 -4.235 1.00 0.00 C ATOM 158 C ALA A 12 1.831 -2.882 -5.028 1.00 0.00 C ATOM 159 O ALA A 12 1.529 -1.827 -4.478 1.00 0.00 O ATOM 160 CB ALA A 12 3.432 -4.486 -4.020 1.00 0.00 C ATOM 0 H ALA A 12 1.916 -6.039 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 12 1.492 -4.030 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.915 -3.654 -3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.522 -5.387 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.914 -4.648 -4.984 1.00 0.00 H new ATOM 166 N LYS A 13 1.999 -3.002 -6.330 1.00 0.00 N ATOM 167 CA LYS A 13 1.915 -1.879 -7.239 1.00 0.00 C ATOM 168 C LYS A 13 0.487 -1.312 -7.243 1.00 0.00 C ATOM 169 O LYS A 13 0.281 -0.082 -7.270 1.00 0.00 O ATOM 170 CB LYS A 13 2.314 -2.347 -8.629 1.00 0.00 C ATOM 171 CG LYS A 13 2.448 -1.244 -9.648 1.00 0.00 C ATOM 172 CD LYS A 13 2.865 -1.755 -11.027 1.00 0.00 C ATOM 173 CE LYS A 13 4.357 -2.114 -11.142 1.00 0.00 C ATOM 174 NZ LYS A 13 4.795 -3.274 -10.316 1.00 0.00 N ATOM 0 H LYS A 13 2.199 -3.890 -6.790 1.00 0.00 H new ATOM 0 HA LYS A 13 2.591 -1.086 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.263 -2.878 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.573 -3.063 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.497 -0.718 -9.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.183 -0.519 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.271 -2.636 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.627 -0.995 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.584 -2.326 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.947 -1.243 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.577 -3.766 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.116 -2.937 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.999 -3.931 -10.190 1.00 0.00 H new ATOM 188 N LYS A 14 -0.481 -2.221 -7.209 1.00 0.00 N ATOM 189 CA LYS A 14 -1.897 -1.866 -7.117 1.00 0.00 C ATOM 190 C LYS A 14 -2.146 -1.049 -5.854 1.00 0.00 C ATOM 191 O LYS A 14 -2.743 0.036 -5.917 1.00 0.00 O ATOM 192 CB LYS A 14 -2.777 -3.123 -7.083 1.00 0.00 C ATOM 193 CG LYS A 14 -2.791 -4.022 -8.331 1.00 0.00 C ATOM 194 CD LYS A 14 -3.630 -3.475 -9.497 1.00 0.00 C ATOM 195 CE LYS A 14 -2.923 -2.407 -10.320 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.767 -1.912 -11.428 1.00 0.00 N ATOM 0 H LYS A 14 -0.309 -3.226 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.156 -1.278 -7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.460 -3.731 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.802 -2.809 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.766 -4.165 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.174 -5.004 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.905 -4.301 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.557 -3.060 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.649 -1.574 -9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.997 -2.815 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.248 -1.187 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.008 -2.702 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.640 -1.499 -11.042 1.00 0.00 H new ATOM 210 N VAL A 15 -1.681 -1.582 -4.716 1.00 0.00 N ATOM 211 CA VAL A 15 -1.796 -0.916 -3.406 1.00 0.00 C ATOM 212 C VAL A 15 -1.247 0.506 -3.473 1.00 0.00 C ATOM 213 O VAL A 15 -1.911 1.449 -3.034 1.00 0.00 O ATOM 214 CB VAL A 15 -1.028 -1.681 -2.284 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.167 -0.976 -0.938 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.501 -3.112 -2.169 1.00 0.00 C ATOM 0 H VAL A 15 -1.214 -2.488 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.858 -0.904 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 15 0.025 -1.688 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.621 -1.534 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.759 0.032 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.220 -0.922 -0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.946 -3.616 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.565 -3.126 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.334 -3.627 -3.115 1.00 0.00 H new ATOM 226 N ILE A 16 -0.053 0.644 -4.055 1.00 0.00 N ATOM 227 CA ILE A 16 0.635 1.933 -4.183 1.00 0.00 C ATOM 228 C ILE A 16 -0.240 2.977 -4.840 1.00 0.00 C ATOM 229 O ILE A 16 -0.370 4.094 -4.338 1.00 0.00 O ATOM 230 CB ILE A 16 1.956 1.806 -4.988 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.954 0.916 -4.250 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.568 3.178 -5.284 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.329 1.414 -2.869 1.00 0.00 C ATOM 0 H ILE A 16 0.467 -0.138 -4.453 1.00 0.00 H new ATOM 0 HA ILE A 16 0.866 2.251 -3.166 1.00 0.00 H new ATOM 0 HB ILE A 16 1.717 1.339 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.533 -0.086 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.859 0.829 -4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.491 3.050 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.865 3.772 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.784 3.690 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.041 0.725 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.781 2.402 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.435 1.473 -2.248 1.00 0.00 H new ATOM 245 N ASP A 17 -0.867 2.602 -5.927 1.00 0.00 N ATOM 246 CA ASP A 17 -1.687 3.537 -6.676 1.00 0.00 C ATOM 247 C ASP A 17 -2.859 3.995 -5.834 1.00 0.00 C ATOM 248 O ASP A 17 -3.165 5.174 -5.765 1.00 0.00 O ATOM 249 CB ASP A 17 -2.197 2.909 -7.966 1.00 0.00 C ATOM 250 CG ASP A 17 -2.896 3.912 -8.859 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.219 4.544 -9.695 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.123 4.075 -8.768 1.00 0.00 O ATOM 0 H ASP A 17 -0.829 1.660 -6.317 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.067 4.396 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.361 2.466 -8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.886 2.099 -7.725 1.00 0.00 H new ATOM 257 N ILE A 18 -3.455 3.067 -5.138 1.00 0.00 N ATOM 258 CA ILE A 18 -4.632 3.342 -4.335 1.00 0.00 C ATOM 259 C ILE A 18 -4.277 4.194 -3.104 1.00 0.00 C ATOM 260 O ILE A 18 -4.919 5.211 -2.846 1.00 0.00 O ATOM 261 CB ILE A 18 -5.309 2.035 -3.882 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.632 1.155 -5.094 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.580 2.343 -3.096 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.076 -0.246 -4.736 1.00 0.00 C ATOM 0 H ILE A 18 -3.145 2.096 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.328 3.902 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.621 1.493 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.416 1.635 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.750 1.094 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.049 1.410 -2.782 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.329 2.937 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.271 2.902 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.286 -0.805 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.285 -0.747 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.977 -0.197 -4.125 1.00 0.00 H new ATOM 276 N ILE A 19 -3.249 3.792 -2.364 1.00 0.00 N ATOM 277 CA ILE A 19 -2.829 4.547 -1.169 1.00 0.00 C ATOM 278 C ILE A 19 -2.365 5.965 -1.526 1.00 0.00 C ATOM 279 O ILE A 19 -2.421 6.866 -0.695 1.00 0.00 O ATOM 280 CB ILE A 19 -1.712 3.840 -0.333 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.432 3.661 -1.161 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.204 2.503 0.218 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.731 3.059 -0.405 1.00 0.00 C ATOM 0 H ILE A 19 -2.692 2.960 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.723 4.596 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.472 4.482 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.656 3.028 -2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.130 4.633 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.408 2.032 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.068 2.670 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.487 1.851 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.590 2.970 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.989 3.701 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.454 2.071 -0.037 1.00 0.00 H new ATOM 295 N ASN A 20 -1.908 6.151 -2.757 1.00 0.00 N ATOM 296 CA ASN A 20 -1.439 7.455 -3.225 1.00 0.00 C ATOM 297 C ASN A 20 -2.637 8.327 -3.657 1.00 0.00 C ATOM 298 O ASN A 20 -2.647 9.547 -3.456 1.00 0.00 O ATOM 299 CB ASN A 20 -0.491 7.253 -4.422 1.00 0.00 C ATOM 300 CG ASN A 20 0.390 8.457 -4.754 1.00 0.00 C ATOM 301 OD1 ASN A 20 0.050 9.609 -4.493 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.521 8.191 -5.358 1.00 0.00 N ATOM 0 H ASN A 20 -1.851 5.411 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.910 7.958 -2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.151 6.396 -4.218 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.086 7.003 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.147 8.950 -5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.776 7.224 -5.561 1.00 0.00 H new ATOM 309 N THR A 21 -3.649 7.692 -4.214 1.00 0.00 N ATOM 310 CA THR A 21 -4.798 8.396 -4.751 1.00 0.00 C ATOM 311 C THR A 21 -5.845 8.712 -3.688 1.00 0.00 C ATOM 312 O THR A 21 -6.432 9.812 -3.679 1.00 0.00 O ATOM 313 CB THR A 21 -5.452 7.583 -5.884 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.676 6.241 -5.443 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.577 7.544 -7.103 1.00 0.00 C ATOM 0 H THR A 21 -3.699 6.678 -4.307 1.00 0.00 H new ATOM 0 HA THR A 21 -4.423 9.343 -5.140 1.00 0.00 H new ATOM 0 HB THR A 21 -6.395 8.066 -6.141 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.869 5.707 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.067 6.963 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.405 8.559 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.623 7.081 -6.851 1.00 0.00 H new ATOM 323 N GLY A 22 -6.088 7.758 -2.820 1.00 0.00 N ATOM 324 CA GLY A 22 -7.086 7.905 -1.792 1.00 0.00 C ATOM 325 C GLY A 22 -6.711 8.923 -0.747 1.00 0.00 C ATOM 326 O GLY A 22 -5.550 9.350 -0.664 1.00 0.00 O ATOM 0 H GLY A 22 -5.600 6.862 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.032 8.195 -2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.248 6.941 -1.310 1.00 0.00 H new ATOM 330 N SER A 23 -7.669 9.313 0.039 1.00 0.00 N ATOM 331 CA SER A 23 -7.459 10.287 1.067 1.00 0.00 C ATOM 332 C SER A 23 -7.582 9.650 2.446 1.00 0.00 C ATOM 333 O SER A 23 -6.565 9.346 3.102 1.00 0.00 O ATOM 334 CB SER A 23 -8.474 11.418 0.906 1.00 0.00 C ATOM 335 OG SER A 23 -8.327 12.062 -0.356 1.00 0.00 O ATOM 0 H SER A 23 -8.625 8.962 -0.016 1.00 0.00 H new ATOM 0 HA SER A 23 -6.451 10.692 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.485 11.020 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.343 12.146 1.707 1.00 0.00 H new ATOM 0 HG SER A 23 -8.989 12.781 -0.436 1.00 0.00 H new ATOM 341 N ALA A 24 -8.817 9.401 2.845 1.00 0.00 N ATOM 342 CA ALA A 24 -9.131 8.830 4.144 1.00 0.00 C ATOM 343 C ALA A 24 -8.655 7.397 4.228 1.00 0.00 C ATOM 344 O ALA A 24 -8.908 6.605 3.318 1.00 0.00 O ATOM 345 CB ALA A 24 -10.629 8.891 4.400 1.00 0.00 C ATOM 0 H ALA A 24 -9.638 9.591 2.271 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.615 9.415 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.849 8.460 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.960 9.929 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.153 8.328 3.628 1.00 0.00 H new ATOM 351 N VAL A 25 -7.993 7.068 5.324 1.00 0.00 N ATOM 352 CA VAL A 25 -7.436 5.733 5.554 1.00 0.00 C ATOM 353 C VAL A 25 -8.495 4.651 5.398 1.00 0.00 C ATOM 354 O VAL A 25 -8.290 3.689 4.663 1.00 0.00 O ATOM 355 CB VAL A 25 -6.744 5.628 6.949 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.247 4.216 7.231 1.00 0.00 C ATOM 357 CG2 VAL A 25 -5.588 6.606 7.044 1.00 0.00 C ATOM 0 H VAL A 25 -7.822 7.720 6.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.675 5.573 4.791 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.493 5.878 7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.772 4.187 8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.089 3.524 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.524 3.926 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.117 6.519 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.856 6.381 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.959 7.622 6.909 1.00 0.00 H new ATOM 367 N ALA A 26 -9.636 4.856 6.034 1.00 0.00 N ATOM 368 CA ALA A 26 -10.754 3.912 5.979 1.00 0.00 C ATOM 369 C ALA A 26 -11.206 3.672 4.542 1.00 0.00 C ATOM 370 O ALA A 26 -11.494 2.527 4.144 1.00 0.00 O ATOM 371 CB ALA A 26 -11.915 4.426 6.813 1.00 0.00 C ATOM 0 H ALA A 26 -9.820 5.681 6.605 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.412 2.961 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.740 3.716 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.596 4.541 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.243 5.390 6.425 1.00 0.00 H new ATOM 377 N THR A 27 -11.185 4.727 3.756 1.00 0.00 N ATOM 378 CA THR A 27 -11.626 4.664 2.389 1.00 0.00 C ATOM 379 C THR A 27 -10.613 3.874 1.556 1.00 0.00 C ATOM 380 O THR A 27 -10.984 3.027 0.735 1.00 0.00 O ATOM 381 CB THR A 27 -11.796 6.089 1.831 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.678 6.820 2.707 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.381 6.066 0.425 1.00 0.00 C ATOM 0 H THR A 27 -10.862 5.648 4.051 1.00 0.00 H new ATOM 0 HA THR A 27 -12.589 4.155 2.339 1.00 0.00 H new ATOM 0 HB THR A 27 -10.818 6.568 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.796 7.731 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.489 7.087 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.716 5.512 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.358 5.583 0.445 1.00 0.00 H new ATOM 391 N ILE A 28 -9.341 4.113 1.826 1.00 0.00 N ATOM 392 CA ILE A 28 -8.271 3.438 1.145 1.00 0.00 C ATOM 393 C ILE A 28 -8.319 1.949 1.446 1.00 0.00 C ATOM 394 O ILE A 28 -8.276 1.147 0.529 1.00 0.00 O ATOM 395 CB ILE A 28 -6.908 4.039 1.549 1.00 0.00 C ATOM 396 CG1 ILE A 28 -6.865 5.515 1.172 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.760 3.296 0.886 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.686 6.253 1.741 1.00 0.00 C ATOM 0 H ILE A 28 -9.030 4.785 2.528 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.394 3.577 0.071 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.794 3.936 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.846 5.602 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.782 5.995 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.813 3.743 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.781 2.249 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.861 3.362 -0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.725 7.297 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.713 6.198 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.763 5.800 1.378 1.00 0.00 H new ATOM 410 N ILE A 29 -8.479 1.595 2.728 1.00 0.00 N ATOM 411 CA ILE A 29 -8.548 0.187 3.159 1.00 0.00 C ATOM 412 C ILE A 29 -9.605 -0.569 2.364 1.00 0.00 C ATOM 413 O ILE A 29 -9.357 -1.677 1.889 1.00 0.00 O ATOM 414 CB ILE A 29 -8.901 0.072 4.663 1.00 0.00 C ATOM 415 CG1 ILE A 29 -7.862 0.779 5.506 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.016 -1.398 5.092 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.283 0.953 6.929 1.00 0.00 C ATOM 0 H ILE A 29 -8.564 2.267 3.491 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.563 -0.246 2.983 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.868 0.551 4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.931 0.213 5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.655 1.757 5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.264 -1.449 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.799 -1.886 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.066 -1.903 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.496 1.466 7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.198 1.544 6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.463 -0.024 7.377 1.00 0.00 H new ATOM 429 N ALA A 30 -10.755 0.064 2.176 1.00 0.00 N ATOM 430 CA ALA A 30 -11.864 -0.551 1.471 1.00 0.00 C ATOM 431 C ALA A 30 -11.496 -0.830 0.023 1.00 0.00 C ATOM 432 O ALA A 30 -11.778 -1.913 -0.508 1.00 0.00 O ATOM 433 CB ALA A 30 -13.103 0.330 1.551 1.00 0.00 C ATOM 0 H ALA A 30 -10.942 1.011 2.506 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.088 -1.503 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.924 -0.148 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.383 0.471 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.891 1.299 1.099 1.00 0.00 H new ATOM 439 N LEU A 31 -10.815 0.114 -0.589 1.00 0.00 N ATOM 440 CA LEU A 31 -10.432 -0.003 -1.985 1.00 0.00 C ATOM 441 C LEU A 31 -9.300 -1.018 -2.160 1.00 0.00 C ATOM 442 O LEU A 31 -9.362 -1.909 -3.031 1.00 0.00 O ATOM 443 CB LEU A 31 -10.022 1.362 -2.531 1.00 0.00 C ATOM 444 CG LEU A 31 -11.108 2.448 -2.517 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.544 3.769 -2.997 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.300 2.039 -3.375 1.00 0.00 C ATOM 0 H LEU A 31 -10.512 0.978 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.292 -0.363 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.170 1.721 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.679 1.232 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.452 2.567 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.327 4.527 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.729 4.076 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.170 3.657 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.055 2.825 -3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.973 1.885 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.726 1.113 -2.988 1.00 0.00 H new ATOM 458 N VAL A 32 -8.296 -0.925 -1.303 1.00 0.00 N ATOM 459 CA VAL A 32 -7.161 -1.821 -1.381 1.00 0.00 C ATOM 460 C VAL A 32 -7.629 -3.253 -1.136 1.00 0.00 C ATOM 461 O VAL A 32 -7.252 -4.162 -1.855 1.00 0.00 O ATOM 462 CB VAL A 32 -6.029 -1.466 -0.379 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.802 -2.270 -0.669 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.670 -0.011 -0.420 1.00 0.00 C ATOM 0 H VAL A 32 -8.247 -0.240 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.741 -1.715 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.409 -1.700 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.019 -2.008 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.033 -3.332 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.458 -2.057 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.874 0.188 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.329 0.252 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.545 0.587 -0.166 1.00 0.00 H new ATOM 474 N THR A 33 -8.508 -3.428 -0.156 1.00 0.00 N ATOM 475 CA THR A 33 -9.076 -4.731 0.161 1.00 0.00 C ATOM 476 C THR A 33 -9.914 -5.275 -1.015 1.00 0.00 C ATOM 477 O THR A 33 -9.954 -6.487 -1.260 1.00 0.00 O ATOM 478 CB THR A 33 -9.914 -4.658 1.467 1.00 0.00 C ATOM 479 OG1 THR A 33 -9.052 -4.273 2.558 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.588 -5.984 1.793 1.00 0.00 C ATOM 0 H THR A 33 -8.846 -2.672 0.439 1.00 0.00 H new ATOM 0 HA THR A 33 -8.255 -5.429 0.326 1.00 0.00 H new ATOM 0 HB THR A 33 -10.702 -3.919 1.320 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.948 -3.299 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.162 -5.884 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.256 -6.263 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.829 -6.756 1.921 1.00 0.00 H new ATOM 488 N ALA A 34 -10.513 -4.376 -1.783 1.00 0.00 N ATOM 489 CA ALA A 34 -11.297 -4.767 -2.944 1.00 0.00 C ATOM 490 C ALA A 34 -10.387 -5.353 -4.013 1.00 0.00 C ATOM 491 O ALA A 34 -10.816 -6.156 -4.840 1.00 0.00 O ATOM 492 CB ALA A 34 -12.076 -3.581 -3.502 1.00 0.00 C ATOM 0 H ALA A 34 -10.470 -3.370 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.015 -5.526 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.654 -3.901 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.752 -3.197 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.380 -2.796 -3.799 1.00 0.00 H new ATOM 498 N VAL A 35 -9.136 -4.943 -3.995 1.00 0.00 N ATOM 499 CA VAL A 35 -8.161 -5.446 -4.941 1.00 0.00 C ATOM 500 C VAL A 35 -7.343 -6.632 -4.373 1.00 0.00 C ATOM 501 O VAL A 35 -7.262 -7.693 -4.989 1.00 0.00 O ATOM 502 CB VAL A 35 -7.205 -4.317 -5.404 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.177 -4.836 -6.398 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.996 -3.178 -6.019 1.00 0.00 C ATOM 0 H VAL A 35 -8.769 -4.260 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.723 -5.815 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.672 -3.949 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.522 -4.020 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.584 -5.622 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.688 -5.238 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.312 -2.392 -6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.555 -3.546 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.690 -2.776 -5.280 1.00 0.00 H new ATOM 514 N VAL A 36 -6.783 -6.466 -3.187 1.00 0.00 N ATOM 515 CA VAL A 36 -5.859 -7.477 -2.634 1.00 0.00 C ATOM 516 C VAL A 36 -6.552 -8.601 -1.865 1.00 0.00 C ATOM 517 O VAL A 36 -5.897 -9.528 -1.379 1.00 0.00 O ATOM 518 CB VAL A 36 -4.746 -6.859 -1.751 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.931 -5.847 -2.535 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.307 -6.244 -0.472 1.00 0.00 C ATOM 0 H VAL A 36 -6.940 -5.657 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.402 -7.918 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.082 -7.670 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.156 -5.428 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.467 -6.338 -3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.584 -5.047 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.492 -5.823 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.015 -5.456 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.815 -7.014 0.110 1.00 0.00 H new ATOM 551 N LEU A 40 -4.424 -8.136 4.358 1.00 0.00 N ATOM 552 CA LEU A 40 -3.095 -7.681 4.070 1.00 0.00 C ATOM 553 C LEU A 40 -2.952 -6.220 4.439 1.00 0.00 C ATOM 554 O LEU A 40 -2.343 -5.863 5.465 1.00 0.00 O ATOM 555 CB LEU A 40 -2.783 -7.891 2.586 1.00 0.00 C ATOM 556 CG LEU A 40 -2.802 -9.339 2.093 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.613 -9.387 0.591 1.00 0.00 C ATOM 558 CD2 LEU A 40 -1.720 -10.152 2.788 1.00 0.00 C ATOM 0 HA LEU A 40 -2.385 -8.258 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.503 -7.319 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.799 -7.471 2.380 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.772 -9.774 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.629 -10.424 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.418 -8.836 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.656 -8.936 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.748 -11.180 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.744 -9.718 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.892 -10.142 3.864 1.00 0.00 H new ATOM 570 N ILE A 41 -3.554 -5.372 3.658 1.00 0.00 N ATOM 571 CA ILE A 41 -3.424 -3.977 3.890 1.00 0.00 C ATOM 572 C ILE A 41 -4.480 -3.551 4.866 1.00 0.00 C ATOM 573 O ILE A 41 -5.648 -3.374 4.508 1.00 0.00 O ATOM 574 CB ILE A 41 -3.520 -3.142 2.596 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.608 -3.740 1.499 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.120 -1.697 2.895 1.00 0.00 C ATOM 577 CD1 ILE A 41 -1.147 -3.772 1.841 1.00 0.00 C ATOM 0 H ILE A 41 -4.136 -5.627 2.860 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.429 -3.795 4.297 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.547 -3.162 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.939 -4.756 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.740 -3.164 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.187 -1.105 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.791 -1.282 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.096 -1.673 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.589 -4.207 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.794 -2.757 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.996 -4.375 2.737 1.00 0.00 H new ATOM 589 N THR A 42 -4.088 -3.480 6.089 1.00 0.00 N ATOM 590 CA THR A 42 -4.954 -3.072 7.147 1.00 0.00 C ATOM 591 C THR A 42 -4.753 -1.586 7.419 1.00 0.00 C ATOM 592 O THR A 42 -3.936 -0.935 6.744 1.00 0.00 O ATOM 593 CB THR A 42 -4.601 -3.871 8.406 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.179 -3.763 8.640 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.980 -5.336 8.244 1.00 0.00 C ATOM 0 H THR A 42 -3.141 -3.707 6.391 1.00 0.00 H new ATOM 0 HA THR A 42 -5.993 -3.252 6.870 1.00 0.00 H new ATOM 0 HB THR A 42 -5.158 -3.467 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.941 -4.269 9.445 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.719 -5.882 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.053 -5.417 8.067 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.440 -5.760 7.398 1.00 0.00 H new ATOM 603 N ALA A 43 -5.470 -1.052 8.405 1.00 0.00 N ATOM 604 CA ALA A 43 -5.365 0.357 8.789 1.00 0.00 C ATOM 605 C ALA A 43 -3.943 0.708 9.165 1.00 0.00 C ATOM 606 O ALA A 43 -3.453 1.810 8.868 1.00 0.00 O ATOM 607 CB ALA A 43 -6.306 0.666 9.943 1.00 0.00 C ATOM 0 H ALA A 43 -6.141 -1.582 8.961 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.653 0.964 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.215 1.717 10.215 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.332 0.457 9.641 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.046 0.045 10.801 1.00 0.00 H new ATOM 613 N GLY A 44 -3.278 -0.239 9.790 1.00 0.00 N ATOM 614 CA GLY A 44 -1.918 -0.058 10.177 1.00 0.00 C ATOM 615 C GLY A 44 -0.989 -0.034 8.991 1.00 0.00 C ATOM 616 O GLY A 44 -0.016 0.733 8.976 1.00 0.00 O ATOM 0 H GLY A 44 -3.672 -1.147 10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.821 0.875 10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.623 -0.862 10.851 1.00 0.00 H new ATOM 620 N ILE A 45 -1.296 -0.826 7.970 1.00 0.00 N ATOM 621 CA ILE A 45 -0.455 -0.881 6.810 1.00 0.00 C ATOM 622 C ILE A 45 -0.649 0.368 5.978 1.00 0.00 C ATOM 623 O ILE A 45 0.322 0.957 5.539 1.00 0.00 O ATOM 624 CB ILE A 45 -0.698 -2.156 5.957 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.435 -3.422 6.787 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.190 -2.153 4.716 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.990 -3.554 7.300 1.00 0.00 C ATOM 0 H ILE A 45 -2.117 -1.430 7.934 1.00 0.00 H new ATOM 0 HA ILE A 45 0.578 -0.932 7.154 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.741 -2.155 5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.116 -3.432 7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.671 -4.295 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.004 -3.055 4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.035 -1.276 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.237 -2.126 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.086 -4.475 7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.680 -3.579 6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.228 -2.702 7.937 1.00 0.00 H new ATOM 639 N VAL A 46 -1.904 0.797 5.819 1.00 0.00 N ATOM 640 CA VAL A 46 -2.214 2.011 5.058 1.00 0.00 C ATOM 641 C VAL A 46 -1.481 3.211 5.656 1.00 0.00 C ATOM 642 O VAL A 46 -0.783 3.925 4.948 1.00 0.00 O ATOM 643 CB VAL A 46 -3.742 2.321 5.016 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.017 3.620 4.262 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.504 1.189 4.366 1.00 0.00 C ATOM 0 H VAL A 46 -2.720 0.323 6.206 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.880 1.831 4.036 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.081 2.432 6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.090 3.812 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.507 4.445 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.651 3.532 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.567 1.429 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.147 1.049 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.348 0.272 4.934 1.00 0.00 H new ATOM 655 N ALA A 47 -1.612 3.392 6.970 1.00 0.00 N ATOM 656 CA ALA A 47 -0.972 4.504 7.673 1.00 0.00 C ATOM 657 C ALA A 47 0.548 4.466 7.510 1.00 0.00 C ATOM 658 O ALA A 47 1.186 5.492 7.244 1.00 0.00 O ATOM 659 CB ALA A 47 -1.347 4.483 9.145 1.00 0.00 C ATOM 0 H ALA A 47 -2.160 2.778 7.573 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.332 5.432 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.864 5.316 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.428 4.574 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.018 3.544 9.591 1.00 0.00 H new ATOM 665 N THR A 48 1.113 3.283 7.634 1.00 0.00 N ATOM 666 CA THR A 48 2.535 3.111 7.487 1.00 0.00 C ATOM 667 C THR A 48 2.966 3.388 6.037 1.00 0.00 C ATOM 668 O THR A 48 3.869 4.182 5.796 1.00 0.00 O ATOM 669 CB THR A 48 2.962 1.692 7.917 1.00 0.00 C ATOM 670 OG1 THR A 48 2.545 1.458 9.285 1.00 0.00 O ATOM 671 CG2 THR A 48 4.469 1.521 7.801 1.00 0.00 C ATOM 0 H THR A 48 0.602 2.424 7.838 1.00 0.00 H new ATOM 0 HA THR A 48 3.034 3.829 8.138 1.00 0.00 H new ATOM 0 HB THR A 48 2.484 0.968 7.257 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.582 1.277 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.746 0.513 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.775 1.681 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.968 2.247 8.443 1.00 0.00 H new ATOM 679 N ALA A 49 2.270 2.777 5.089 1.00 0.00 N ATOM 680 CA ALA A 49 2.580 2.912 3.679 1.00 0.00 C ATOM 681 C ALA A 49 2.440 4.357 3.208 1.00 0.00 C ATOM 682 O ALA A 49 3.292 4.846 2.470 1.00 0.00 O ATOM 683 CB ALA A 49 1.724 1.967 2.852 1.00 0.00 C ATOM 0 H ALA A 49 1.472 2.172 5.280 1.00 0.00 H new ATOM 0 HA ALA A 49 3.624 2.633 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.970 2.082 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.916 0.939 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.671 2.201 3.006 1.00 0.00 H new ATOM 689 N LYS A 50 1.391 5.053 3.674 1.00 0.00 N ATOM 690 CA LYS A 50 1.208 6.471 3.351 1.00 0.00 C ATOM 691 C LYS A 50 2.384 7.286 3.867 1.00 0.00 C ATOM 692 O LYS A 50 2.835 8.237 3.220 1.00 0.00 O ATOM 693 CB LYS A 50 -0.110 7.050 3.920 1.00 0.00 C ATOM 694 CG LYS A 50 -1.392 6.550 3.248 1.00 0.00 C ATOM 695 CD LYS A 50 -2.654 7.219 3.835 1.00 0.00 C ATOM 696 CE LYS A 50 -2.652 8.740 3.628 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.892 9.406 4.133 1.00 0.00 N ATOM 0 H LYS A 50 0.664 4.658 4.271 1.00 0.00 H new ATOM 0 HA LYS A 50 1.153 6.538 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.161 6.814 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.076 8.136 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.341 6.749 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.466 5.469 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.541 6.791 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.718 6.999 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.786 9.168 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.539 8.955 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.749 10.436 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.689 9.179 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.101 9.067 5.094 1.00 0.00 H new ATOM 711 N SER A 51 2.899 6.901 5.005 1.00 0.00 N ATOM 712 CA SER A 51 4.008 7.591 5.581 1.00 0.00 C ATOM 713 C SER A 51 5.286 7.292 4.801 1.00 0.00 C ATOM 714 O SER A 51 6.045 8.208 4.484 1.00 0.00 O ATOM 715 CB SER A 51 4.138 7.228 7.052 1.00 0.00 C ATOM 716 OG SER A 51 2.929 7.537 7.745 1.00 0.00 O ATOM 0 H SER A 51 2.561 6.107 5.549 1.00 0.00 H new ATOM 0 HA SER A 51 3.837 8.666 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.363 6.166 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.970 7.774 7.497 1.00 0.00 H new ATOM 0 HG SER A 51 2.307 6.783 7.670 1.00 0.00 H new ATOM 722 N LEU A 52 5.481 6.030 4.430 1.00 0.00 N ATOM 723 CA LEU A 52 6.660 5.619 3.691 1.00 0.00 C ATOM 724 C LEU A 52 6.705 6.288 2.318 1.00 0.00 C ATOM 725 O LEU A 52 7.768 6.713 1.874 1.00 0.00 O ATOM 726 CB LEU A 52 6.714 4.101 3.533 1.00 0.00 C ATOM 727 CG LEU A 52 6.619 3.279 4.817 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.515 1.823 4.484 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.809 3.521 5.728 1.00 0.00 C ATOM 0 H LEU A 52 4.829 5.272 4.633 1.00 0.00 H new ATOM 0 HA LEU A 52 7.531 5.937 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.902 3.797 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.646 3.843 3.031 1.00 0.00 H new ATOM 0 HG LEU A 52 5.723 3.596 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.448 1.243 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.624 1.651 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.398 1.514 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.705 2.919 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.727 3.242 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.851 4.576 5.999 1.00 0.00 H new ATOM 741 N ILE A 53 5.550 6.425 1.663 1.00 0.00 N ATOM 742 CA ILE A 53 5.513 7.073 0.346 1.00 0.00 C ATOM 743 C ILE A 53 5.742 8.580 0.469 1.00 0.00 C ATOM 744 O ILE A 53 6.284 9.209 -0.434 1.00 0.00 O ATOM 745 CB ILE A 53 4.203 6.794 -0.473 1.00 0.00 C ATOM 746 CG1 ILE A 53 2.972 7.440 0.184 1.00 0.00 C ATOM 747 CG2 ILE A 53 3.992 5.296 -0.629 1.00 0.00 C ATOM 748 CD1 ILE A 53 1.675 7.258 -0.587 1.00 0.00 C ATOM 0 H ILE A 53 4.646 6.105 2.011 1.00 0.00 H new ATOM 0 HA ILE A 53 6.329 6.620 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 53 4.325 7.245 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.848 7.021 1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.160 8.507 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.081 5.114 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.842 4.862 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.902 4.837 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.861 7.745 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.775 7.703 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.458 6.195 -0.688 1.00 0.00 H new ATOM 760 N LYS A 54 5.361 9.139 1.609 1.00 0.00 N ATOM 761 CA LYS A 54 5.519 10.561 1.872 1.00 0.00 C ATOM 762 C LYS A 54 7.000 10.928 2.008 1.00 0.00 C ATOM 763 O LYS A 54 7.441 11.978 1.542 1.00 0.00 O ATOM 764 CB LYS A 54 4.749 10.924 3.153 1.00 0.00 C ATOM 765 CG LYS A 54 4.820 12.382 3.592 1.00 0.00 C ATOM 766 CD LYS A 54 4.034 12.581 4.884 1.00 0.00 C ATOM 767 CE LYS A 54 4.139 14.003 5.422 1.00 0.00 C ATOM 768 NZ LYS A 54 3.568 15.015 4.505 1.00 0.00 N ATOM 0 H LYS A 54 4.934 8.620 2.376 1.00 0.00 H new ATOM 0 HA LYS A 54 5.115 11.129 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.701 10.661 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.125 10.303 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.859 12.674 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.417 13.025 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.986 12.340 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.399 11.884 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.626 14.061 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.187 14.239 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.638 15.957 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.095 15.008 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.569 14.792 4.321 1.00 0.00 H new ATOM 782 N LYS A 55 7.760 10.051 2.617 1.00 0.00 N ATOM 783 CA LYS A 55 9.175 10.308 2.872 1.00 0.00 C ATOM 784 C LYS A 55 10.108 9.628 1.881 1.00 0.00 C ATOM 785 O LYS A 55 10.928 10.276 1.234 1.00 0.00 O ATOM 786 CB LYS A 55 9.542 9.921 4.312 1.00 0.00 C ATOM 787 CG LYS A 55 9.011 8.572 4.760 1.00 0.00 C ATOM 788 CD LYS A 55 9.172 8.349 6.245 1.00 0.00 C ATOM 789 CE LYS A 55 8.280 9.284 7.058 1.00 0.00 C ATOM 790 NZ LYS A 55 8.403 9.043 8.503 1.00 0.00 N ATOM 0 H LYS A 55 7.430 9.146 2.951 1.00 0.00 H new ATOM 0 HA LYS A 55 9.318 11.380 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.628 9.919 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.164 10.688 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.956 8.495 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.533 7.782 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.929 7.314 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.214 8.505 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.544 10.319 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.242 9.149 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.781 9.698 9.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.126 8.063 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.388 9.197 8.798 1.00 0.00 H new ATOM 804 N TYR A 56 9.988 8.346 1.768 1.00 0.00 N ATOM 805 CA TYR A 56 10.887 7.562 0.956 1.00 0.00 C ATOM 806 C TYR A 56 10.390 7.495 -0.470 1.00 0.00 C ATOM 807 O TYR A 56 11.165 7.640 -1.416 1.00 0.00 O ATOM 808 CB TYR A 56 11.032 6.170 1.564 1.00 0.00 C ATOM 809 CG TYR A 56 11.332 6.204 3.054 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.258 7.092 3.587 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.685 5.354 3.920 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.521 7.119 4.934 1.00 0.00 C ATOM 813 CE2 TYR A 56 10.942 5.370 5.268 1.00 0.00 C ATOM 814 CZ TYR A 56 11.862 6.253 5.774 1.00 0.00 C ATOM 815 OH TYR A 56 12.108 6.281 7.132 1.00 0.00 O ATOM 0 H TYR A 56 9.263 7.801 2.235 1.00 0.00 H new ATOM 0 HA TYR A 56 11.869 8.035 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.113 5.608 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.831 5.636 1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.780 7.773 2.930 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.958 4.657 3.530 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.242 7.817 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.422 4.691 5.927 1.00 0.00 H new ATOM 0 HH TYR A 56 11.557 5.604 7.578 1.00 0.00 H new ATOM 825 N GLY A 57 9.112 7.307 -0.622 1.00 0.00 N ATOM 826 CA GLY A 57 8.534 7.291 -1.932 1.00 0.00 C ATOM 827 C GLY A 57 7.702 6.065 -2.185 1.00 0.00 C ATOM 828 O GLY A 57 7.742 5.092 -1.409 1.00 0.00 O ATOM 0 H GLY A 57 8.452 7.163 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.915 8.178 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.329 7.345 -2.676 1.00 0.00 H new ATOM 832 N ALA A 58 6.949 6.115 -3.258 1.00 0.00 N ATOM 833 CA ALA A 58 6.038 5.062 -3.654 1.00 0.00 C ATOM 834 C ALA A 58 6.757 3.751 -3.937 1.00 0.00 C ATOM 835 O ALA A 58 6.329 2.685 -3.493 1.00 0.00 O ATOM 836 CB ALA A 58 5.247 5.515 -4.860 1.00 0.00 C ATOM 0 H ALA A 58 6.951 6.909 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 58 5.361 4.868 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.559 4.725 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.681 6.412 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.929 5.735 -5.681 1.00 0.00 H new ATOM 842 N LYS A 59 7.873 3.842 -4.615 1.00 0.00 N ATOM 843 CA LYS A 59 8.630 2.667 -5.008 1.00 0.00 C ATOM 844 C LYS A 59 9.262 1.984 -3.784 1.00 0.00 C ATOM 845 O LYS A 59 9.478 0.761 -3.771 1.00 0.00 O ATOM 846 CB LYS A 59 9.686 3.036 -6.056 1.00 0.00 C ATOM 847 CG LYS A 59 10.448 1.849 -6.603 1.00 0.00 C ATOM 848 CD LYS A 59 11.499 2.269 -7.605 1.00 0.00 C ATOM 849 CE LYS A 59 12.326 1.080 -8.053 1.00 0.00 C ATOM 850 NZ LYS A 59 13.024 0.437 -6.918 1.00 0.00 N ATOM 0 H LYS A 59 8.286 4.726 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 59 7.945 1.950 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.199 3.554 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.394 3.737 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.923 1.312 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.751 1.157 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.020 2.730 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.149 3.023 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.680 0.351 -8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.058 1.404 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.829 -0.117 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.369 1.168 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.365 -0.193 -6.417 1.00 0.00 H new ATOM 864 N TYR A 60 9.531 2.765 -2.747 1.00 0.00 N ATOM 865 CA TYR A 60 10.069 2.226 -1.521 1.00 0.00 C ATOM 866 C TYR A 60 9.016 1.368 -0.872 1.00 0.00 C ATOM 867 O TYR A 60 9.278 0.233 -0.462 1.00 0.00 O ATOM 868 CB TYR A 60 10.486 3.356 -0.561 1.00 0.00 C ATOM 869 CG TYR A 60 10.908 2.873 0.822 1.00 0.00 C ATOM 870 CD1 TYR A 60 9.956 2.624 1.805 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.234 2.665 1.134 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.306 2.178 3.053 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.609 2.223 2.390 1.00 0.00 C ATOM 874 CZ TYR A 60 11.642 1.974 3.347 1.00 0.00 C ATOM 875 OH TYR A 60 12.024 1.561 4.610 1.00 0.00 O ATOM 0 H TYR A 60 9.383 3.774 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 60 10.955 1.632 -1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.311 3.912 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.654 4.052 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.913 2.786 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.992 2.850 0.387 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.547 1.988 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.653 2.073 2.622 1.00 0.00 H new ATOM 0 HH TYR A 60 12.999 1.466 4.642 1.00 0.00 H new ATOM 885 N ALA A 61 7.818 1.911 -0.801 1.00 0.00 N ATOM 886 CA ALA A 61 6.724 1.236 -0.171 1.00 0.00 C ATOM 887 C ALA A 61 6.354 -0.003 -0.930 1.00 0.00 C ATOM 888 O ALA A 61 6.011 -0.990 -0.332 1.00 0.00 O ATOM 889 CB ALA A 61 5.542 2.136 -0.028 1.00 0.00 C ATOM 0 H ALA A 61 7.585 2.829 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 61 7.047 0.944 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.728 1.594 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.813 2.999 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.220 2.473 -1.013 1.00 0.00 H new ATOM 895 N ALA A 62 6.453 0.052 -2.252 1.00 0.00 N ATOM 896 CA ALA A 62 6.181 -1.104 -3.097 1.00 0.00 C ATOM 897 C ALA A 62 7.071 -2.271 -2.694 1.00 0.00 C ATOM 898 O ALA A 62 6.605 -3.414 -2.561 1.00 0.00 O ATOM 899 CB ALA A 62 6.394 -0.756 -4.557 1.00 0.00 C ATOM 0 H ALA A 62 6.722 0.891 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 62 5.140 -1.396 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.186 -1.631 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.722 0.055 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.426 -0.442 -4.709 1.00 0.00 H new ATOM 905 N ALA A 63 8.339 -1.970 -2.452 1.00 0.00 N ATOM 906 CA ALA A 63 9.296 -2.964 -2.017 1.00 0.00 C ATOM 907 C ALA A 63 8.963 -3.425 -0.608 1.00 0.00 C ATOM 908 O ALA A 63 8.887 -4.624 -0.341 1.00 0.00 O ATOM 909 CB ALA A 63 10.701 -2.396 -2.065 1.00 0.00 C ATOM 0 H ALA A 63 8.727 -1.032 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 63 9.244 -3.821 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.411 -3.154 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.938 -2.097 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.765 -1.528 -1.408 1.00 0.00 H new ATOM 915 N TRP A 64 8.721 -2.459 0.270 1.00 0.00 N ATOM 916 CA TRP A 64 8.384 -2.713 1.669 1.00 0.00 C ATOM 917 C TRP A 64 7.147 -3.611 1.793 1.00 0.00 C ATOM 918 O TRP A 64 7.159 -4.597 2.551 1.00 0.00 O ATOM 919 CB TRP A 64 8.172 -1.380 2.414 1.00 0.00 C ATOM 920 CG TRP A 64 7.759 -1.533 3.844 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.578 -1.610 4.917 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.414 -1.626 4.354 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.837 -1.735 6.065 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.508 -1.751 5.745 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.146 -1.611 3.764 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.385 -1.863 6.561 1.00 0.00 C ATOM 927 CZ3 TRP A 64 4.038 -1.718 4.574 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.161 -1.843 5.954 1.00 0.00 C ATOM 0 H TRP A 64 8.753 -1.468 0.031 1.00 0.00 H new ATOM 0 HA TRP A 64 9.218 -3.243 2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.097 -0.804 2.375 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.413 -0.800 1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.657 -1.578 4.876 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.218 -1.805 7.009 1.00 0.00 H new ATOM 0 HE3 TRP A 64 5.038 -1.517 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.478 -1.962 7.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 3.054 -1.705 4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.270 -1.926 6.559 1.00 0.00 H new