USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 180:sc= -0.25 USER MOD Set 1.2: A 34 THR OG1 : rot 46:sc= 0.243 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -10! C(o=-10!,f=-7.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= -2.87 (180deg=-6.06!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 91:sc= -0.824! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.6 (180deg=-1.27!) USER MOD Single : A 56 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= -0.754! USER MOD Single : A 67 GLN : amide:sc= -12.2! C(o=-12!,f=-14!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 4 -16.451 1.752 0.814 1.00 0.00 N ATOM 66 CA GLU A 4 -15.212 1.429 0.028 1.00 0.00 C ATOM 67 C GLU A 4 -14.077 1.318 0.973 1.00 0.00 C ATOM 68 O GLU A 4 -13.237 2.175 1.160 1.00 0.00 O ATOM 69 CB GLU A 4 -14.960 2.524 -1.004 1.00 0.00 C ATOM 70 CG GLU A 4 -15.339 2.011 -2.395 1.00 0.00 C ATOM 71 CD GLU A 4 -16.816 1.607 -2.399 1.00 0.00 C ATOM 72 OE1 GLU A 4 -17.645 2.469 -2.644 1.00 0.00 O ATOM 73 OE2 GLU A 4 -17.092 0.444 -2.156 1.00 0.00 O ATOM 0 HA GLU A 4 -15.330 0.486 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.545 3.410 -0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.911 2.820 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.159 2.784 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.716 1.158 -2.663 1.00 0.00 H new ATOM 80 N GLU A 5 -14.130 0.194 1.603 1.00 0.00 N ATOM 81 CA GLU A 5 -13.172 -0.165 2.624 1.00 0.00 C ATOM 82 C GLU A 5 -11.771 -0.181 2.006 1.00 0.00 C ATOM 83 O GLU A 5 -10.779 -0.288 2.697 1.00 0.00 O ATOM 84 CB GLU A 5 -13.567 -1.542 3.190 1.00 0.00 C ATOM 85 CG GLU A 5 -12.330 -2.403 3.446 1.00 0.00 C ATOM 86 CD GLU A 5 -12.719 -3.619 4.287 1.00 0.00 C ATOM 87 OE1 GLU A 5 -13.822 -4.108 4.112 1.00 0.00 O ATOM 88 OE2 GLU A 5 -11.906 -4.042 5.094 1.00 0.00 O ATOM 0 H GLU A 5 -14.841 -0.516 1.431 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.167 0.557 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.123 -1.412 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.230 -2.050 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.897 -2.726 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.568 -1.819 3.963 1.00 0.00 H new ATOM 95 N LEU A 6 -11.682 -0.050 0.708 1.00 0.00 N ATOM 96 CA LEU A 6 -10.345 -0.024 0.062 1.00 0.00 C ATOM 97 C LEU A 6 -9.843 1.384 0.200 1.00 0.00 C ATOM 98 O LEU A 6 -8.698 1.642 0.514 1.00 0.00 O ATOM 99 CB LEU A 6 -10.454 -0.402 -1.420 1.00 0.00 C ATOM 100 CG LEU A 6 -11.648 -1.338 -1.636 1.00 0.00 C ATOM 101 CD1 LEU A 6 -11.653 -1.834 -3.083 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.539 -2.537 -0.691 1.00 0.00 C ATOM 0 H LEU A 6 -12.476 0.039 0.074 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.668 -0.740 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.572 0.497 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.536 -0.889 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.572 -0.796 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.502 -2.500 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.732 -0.983 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.728 -2.373 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.389 -3.201 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.614 -3.077 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.536 -2.187 0.341 1.00 0.00 H new ATOM 114 N LYS A 7 -10.726 2.294 -0.013 1.00 0.00 N ATOM 115 CA LYS A 7 -10.391 3.709 0.112 1.00 0.00 C ATOM 116 C LYS A 7 -10.274 4.115 1.595 1.00 0.00 C ATOM 117 O LYS A 7 -9.835 5.201 1.911 1.00 0.00 O ATOM 118 CB LYS A 7 -11.532 4.430 -0.592 1.00 0.00 C ATOM 119 CG LYS A 7 -12.053 5.587 0.251 1.00 0.00 C ATOM 120 CD LYS A 7 -12.940 4.966 1.339 1.00 0.00 C ATOM 121 CE LYS A 7 -14.296 4.618 0.740 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.283 5.684 1.075 1.00 0.00 N ATOM 0 H LYS A 7 -11.693 2.106 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.426 3.958 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.189 4.804 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.342 3.728 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.229 6.146 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.622 6.288 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.467 4.071 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.063 5.664 2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.211 4.515 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.639 3.658 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.207 5.443 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.373 5.762 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.958 6.592 0.687 1.00 0.00 H new ATOM 136 N GLY A 8 -10.693 3.274 2.505 1.00 0.00 N ATOM 137 CA GLY A 8 -10.632 3.665 3.942 1.00 0.00 C ATOM 138 C GLY A 8 -9.476 2.959 4.633 1.00 0.00 C ATOM 139 O GLY A 8 -8.763 3.543 5.423 1.00 0.00 O ATOM 0 H GLY A 8 -11.070 2.345 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.511 4.745 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.570 3.410 4.435 1.00 0.00 H new ATOM 143 N ILE A 9 -9.287 1.707 4.354 1.00 0.00 N ATOM 144 CA ILE A 9 -8.181 0.973 5.008 1.00 0.00 C ATOM 145 C ILE A 9 -6.863 1.693 4.730 1.00 0.00 C ATOM 146 O ILE A 9 -6.161 2.091 5.632 1.00 0.00 O ATOM 147 CB ILE A 9 -8.154 -0.468 4.490 1.00 0.00 C ATOM 148 CG1 ILE A 9 -7.898 -0.537 2.985 1.00 0.00 C ATOM 149 CG2 ILE A 9 -9.509 -1.108 4.773 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.389 -0.633 2.741 1.00 0.00 C ATOM 0 H ILE A 9 -9.850 1.161 3.702 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.330 0.943 6.087 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.343 -0.991 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.405 -1.401 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.304 0.347 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.509 -2.136 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.697 -1.102 5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.291 -0.544 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.196 -0.683 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.896 0.245 3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.999 -1.530 3.222 1.00 0.00 H new ATOM 162 N PHE A 10 -6.548 1.885 3.492 1.00 0.00 N ATOM 163 CA PHE A 10 -5.301 2.605 3.114 1.00 0.00 C ATOM 164 C PHE A 10 -5.164 3.866 3.956 1.00 0.00 C ATOM 165 O PHE A 10 -4.306 3.992 4.803 1.00 0.00 O ATOM 166 CB PHE A 10 -5.432 3.042 1.665 1.00 0.00 C ATOM 167 CG PHE A 10 -4.307 3.987 1.319 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.039 3.485 1.007 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.531 5.368 1.324 1.00 0.00 C ATOM 170 CE1 PHE A 10 -1.996 4.365 0.699 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.487 6.247 1.018 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.220 5.745 0.707 1.00 0.00 C ATOM 0 H PHE A 10 -7.111 1.568 2.703 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.441 1.953 3.265 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.405 2.172 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.393 3.531 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.865 2.419 1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.510 5.755 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.018 3.978 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.660 7.313 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.413 6.424 0.473 1.00 0.00 H new ATOM 182 N GLU A 11 -6.005 4.814 3.677 1.00 0.00 N ATOM 183 CA GLU A 11 -5.964 6.116 4.405 1.00 0.00 C ATOM 184 C GLU A 11 -5.685 5.888 5.894 1.00 0.00 C ATOM 185 O GLU A 11 -4.910 6.602 6.498 1.00 0.00 O ATOM 186 CB GLU A 11 -7.300 6.843 4.236 1.00 0.00 C ATOM 187 CG GLU A 11 -7.216 8.220 4.899 1.00 0.00 C ATOM 188 CD GLU A 11 -8.346 9.110 4.375 1.00 0.00 C ATOM 189 OE1 GLU A 11 -9.492 8.709 4.491 1.00 0.00 O ATOM 190 OE2 GLU A 11 -8.045 10.179 3.868 1.00 0.00 O ATOM 0 H GLU A 11 -6.732 4.746 2.965 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.162 6.726 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.537 6.951 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.104 6.259 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.291 8.119 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.250 8.679 4.688 1.00 0.00 H new ATOM 197 N LYS A 12 -6.302 4.907 6.501 1.00 0.00 N ATOM 198 CA LYS A 12 -6.043 4.667 7.950 1.00 0.00 C ATOM 199 C LYS A 12 -4.573 4.271 8.123 1.00 0.00 C ATOM 200 O LYS A 12 -3.896 4.730 9.021 1.00 0.00 O ATOM 201 CB LYS A 12 -6.988 3.567 8.485 1.00 0.00 C ATOM 202 CG LYS A 12 -6.270 2.210 8.596 1.00 0.00 C ATOM 203 CD LYS A 12 -5.306 2.228 9.792 1.00 0.00 C ATOM 204 CE LYS A 12 -5.887 1.415 10.953 1.00 0.00 C ATOM 205 NZ LYS A 12 -4.912 1.401 12.079 1.00 0.00 N ATOM 0 H LYS A 12 -6.966 4.269 6.062 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.238 5.573 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.370 3.859 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.848 3.471 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.001 1.410 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.721 2.002 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.341 1.816 9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.129 3.255 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.832 1.850 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.100 0.397 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.303 0.850 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.021 0.968 11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.730 2.376 12.393 1.00 0.00 H new ATOM 219 N TYR A 13 -4.080 3.418 7.264 1.00 0.00 N ATOM 220 CA TYR A 13 -2.662 2.982 7.362 1.00 0.00 C ATOM 221 C TYR A 13 -1.736 4.172 7.169 1.00 0.00 C ATOM 222 O TYR A 13 -0.539 4.067 7.333 1.00 0.00 O ATOM 223 CB TYR A 13 -2.383 1.917 6.312 1.00 0.00 C ATOM 224 CG TYR A 13 -2.815 0.604 6.890 1.00 0.00 C ATOM 225 CD1 TYR A 13 -1.979 -0.069 7.782 1.00 0.00 C ATOM 226 CD2 TYR A 13 -4.068 0.084 6.571 1.00 0.00 C ATOM 227 CE1 TYR A 13 -2.394 -1.270 8.355 1.00 0.00 C ATOM 228 CE2 TYR A 13 -4.487 -1.120 7.137 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.651 -1.800 8.033 1.00 0.00 C ATOM 230 OH TYR A 13 -4.068 -2.987 8.600 1.00 0.00 O ATOM 0 H TYR A 13 -4.605 3.003 6.494 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.481 2.561 8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.928 2.131 5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.323 1.896 6.057 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.011 0.341 8.028 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.714 0.613 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.748 -1.791 9.046 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.455 -1.528 6.885 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.963 -3.211 8.270 1.00 0.00 H new ATOM 240 N ASP A 15 -2.283 5.307 6.854 1.00 0.00 N ATOM 241 CA ASP A 15 -1.467 6.517 6.698 1.00 0.00 C ATOM 242 C ASP A 15 -1.301 7.108 8.097 1.00 0.00 C ATOM 243 O ASP A 15 -1.592 8.262 8.339 1.00 0.00 O ATOM 244 CB ASP A 15 -2.227 7.491 5.802 1.00 0.00 C ATOM 245 CG ASP A 15 -1.256 8.167 4.834 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.411 8.913 5.298 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.373 7.925 3.643 1.00 0.00 O ATOM 0 H ASP A 15 -3.282 5.441 6.697 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.495 6.311 6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.000 6.961 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.731 8.242 6.410 1.00 0.00 H new ATOM 252 N LYS A 16 -0.860 6.301 9.031 1.00 0.00 N ATOM 253 CA LYS A 16 -0.696 6.764 10.433 1.00 0.00 C ATOM 254 C LYS A 16 0.601 7.579 10.577 1.00 0.00 C ATOM 255 O LYS A 16 1.182 7.647 11.643 1.00 0.00 O ATOM 256 CB LYS A 16 -0.641 5.539 11.372 1.00 0.00 C ATOM 257 CG LYS A 16 -1.370 4.328 10.749 1.00 0.00 C ATOM 258 CD LYS A 16 -0.342 3.286 10.301 1.00 0.00 C ATOM 259 CE LYS A 16 0.092 2.446 11.504 1.00 0.00 C ATOM 260 NZ LYS A 16 0.089 1.003 11.128 1.00 0.00 N ATOM 0 H LYS A 16 -0.604 5.326 8.872 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.542 7.397 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.398 5.278 11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.098 5.790 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.055 3.890 11.475 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.971 4.650 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.771 2.644 9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.523 3.780 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.088 2.746 11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.583 2.616 12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.384 0.431 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.869 0.722 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.750 0.848 10.340 1.00 0.00 H new ATOM 274 N GLU A 17 1.055 8.209 9.521 1.00 0.00 N ATOM 275 CA GLU A 17 2.299 9.023 9.610 1.00 0.00 C ATOM 276 C GLU A 17 1.939 10.497 9.415 1.00 0.00 C ATOM 277 O GLU A 17 2.513 11.376 10.029 1.00 0.00 O ATOM 278 CB GLU A 17 3.272 8.590 8.512 1.00 0.00 C ATOM 279 CG GLU A 17 4.420 9.596 8.426 1.00 0.00 C ATOM 280 CD GLU A 17 5.571 8.991 7.621 1.00 0.00 C ATOM 281 OE1 GLU A 17 5.305 8.120 6.809 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.698 9.407 7.831 1.00 0.00 O ATOM 0 H GLU A 17 0.614 8.192 8.601 1.00 0.00 H new ATOM 0 HA GLU A 17 2.767 8.879 10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.661 7.595 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.754 8.530 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.076 10.516 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.762 9.860 9.427 1.00 0.00 H new ATOM 289 N GLY A 18 0.984 10.770 8.569 1.00 0.00 N ATOM 290 CA GLY A 18 0.569 12.177 8.332 1.00 0.00 C ATOM 291 C GLY A 18 1.234 12.717 7.064 1.00 0.00 C ATOM 292 O GLY A 18 1.760 13.812 7.052 1.00 0.00 O ATOM 0 H GLY A 18 0.471 10.073 8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.515 12.233 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.845 12.794 9.187 1.00 0.00 H new ATOM 296 N ASP A 19 1.221 11.966 5.997 1.00 0.00 N ATOM 297 CA ASP A 19 1.862 12.461 4.744 1.00 0.00 C ATOM 298 C ASP A 19 0.886 12.364 3.560 1.00 0.00 C ATOM 299 O ASP A 19 1.221 12.718 2.447 1.00 0.00 O ATOM 300 CB ASP A 19 3.112 11.632 4.448 1.00 0.00 C ATOM 301 CG ASP A 19 4.342 12.540 4.472 1.00 0.00 C ATOM 302 OD1 ASP A 19 4.631 13.087 5.523 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.972 12.678 3.436 1.00 0.00 O ATOM 0 H ASP A 19 0.799 11.039 5.937 1.00 0.00 H new ATOM 0 HA ASP A 19 2.137 13.507 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.218 10.838 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.020 11.151 3.474 1.00 0.00 H new ATOM 308 N GLY A 20 -0.313 11.889 3.781 1.00 0.00 N ATOM 309 CA GLY A 20 -1.290 11.774 2.661 1.00 0.00 C ATOM 310 C GLY A 20 -1.120 10.415 1.984 1.00 0.00 C ATOM 311 O GLY A 20 -2.073 9.804 1.541 1.00 0.00 O ATOM 0 H GLY A 20 -0.656 11.576 4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.307 11.881 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.131 12.576 1.940 1.00 0.00 H new ATOM 315 N GLN A 22 0.091 9.942 1.894 1.00 0.00 N ATOM 316 CA GLN A 22 0.334 8.640 1.243 1.00 0.00 C ATOM 317 C GLN A 22 1.150 7.732 2.171 1.00 0.00 C ATOM 318 O GLN A 22 1.404 8.063 3.312 1.00 0.00 O ATOM 319 CB GLN A 22 1.070 8.888 -0.078 1.00 0.00 C ATOM 320 CG GLN A 22 2.143 9.957 0.124 1.00 0.00 C ATOM 321 CD GLN A 22 2.651 10.420 -1.241 1.00 0.00 C ATOM 322 OE1 GLN A 22 2.972 11.578 -1.423 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.745 9.556 -2.216 1.00 0.00 N ATOM 0 H GLN A 22 0.925 10.410 2.248 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.611 8.136 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.526 7.963 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.364 9.208 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.733 10.801 0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.966 9.556 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.476 8.584 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.088 9.853 -3.130 1.00 0.00 H new ATOM 332 N LEU A 23 1.513 6.564 1.710 1.00 0.00 N ATOM 333 CA LEU A 23 2.246 5.616 2.582 1.00 0.00 C ATOM 334 C LEU A 23 3.730 5.538 2.292 1.00 0.00 C ATOM 335 O LEU A 23 4.137 5.096 1.237 1.00 0.00 O ATOM 336 CB LEU A 23 1.767 4.200 2.305 1.00 0.00 C ATOM 337 CG LEU A 23 0.313 4.005 2.661 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.090 2.631 2.122 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.156 4.014 4.184 1.00 0.00 C ATOM 0 H LEU A 23 1.330 6.230 0.764 1.00 0.00 H new ATOM 0 HA LEU A 23 2.067 5.977 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.914 3.969 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.375 3.496 2.873 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.307 4.796 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.138 2.442 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.051 2.608 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.529 1.863 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.894 3.873 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.747 3.206 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.502 4.969 4.580 1.00 0.00 H new ATOM 351 N SER A 24 4.540 5.776 3.268 1.00 0.00 N ATOM 352 CA SER A 24 5.964 5.490 3.052 1.00 0.00 C ATOM 353 C SER A 24 5.954 3.981 3.256 1.00 0.00 C ATOM 354 O SER A 24 5.110 3.501 3.976 1.00 0.00 O ATOM 355 CB SER A 24 6.832 6.177 4.109 1.00 0.00 C ATOM 356 OG SER A 24 8.168 6.273 3.631 1.00 0.00 O ATOM 0 H SER A 24 4.286 6.147 4.184 1.00 0.00 H new ATOM 0 HA SER A 24 6.366 5.831 2.098 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.440 7.170 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.807 5.611 5.040 1.00 0.00 H new ATOM 0 HG SER A 24 8.726 6.714 4.305 1.00 0.00 H new ATOM 362 N LYS A 25 6.766 3.193 2.633 1.00 0.00 N ATOM 363 CA LYS A 25 6.605 1.740 2.867 1.00 0.00 C ATOM 364 C LYS A 25 6.493 1.396 4.357 1.00 0.00 C ATOM 365 O LYS A 25 6.034 0.326 4.708 1.00 0.00 O ATOM 366 CB LYS A 25 7.744 0.965 2.213 1.00 0.00 C ATOM 367 CG LYS A 25 7.272 0.224 0.949 1.00 0.00 C ATOM 368 CD LYS A 25 6.063 0.881 0.264 1.00 0.00 C ATOM 369 CE LYS A 25 6.532 2.046 -0.608 1.00 0.00 C ATOM 370 NZ LYS A 25 6.070 3.329 -0.012 1.00 0.00 N ATOM 0 H LYS A 25 7.510 3.474 1.994 1.00 0.00 H new ATOM 0 HA LYS A 25 5.664 1.441 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.550 1.651 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.153 0.248 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.097 0.173 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.015 -0.802 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.536 0.147 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.357 1.237 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.619 2.040 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.138 1.939 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.557 3.880 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.438 3.132 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.892 3.873 0.321 1.00 0.00 H new ATOM 384 N GLU A 26 6.859 2.273 5.245 1.00 0.00 N ATOM 385 CA GLU A 26 6.705 1.935 6.685 1.00 0.00 C ATOM 386 C GLU A 26 5.224 1.628 6.948 1.00 0.00 C ATOM 387 O GLU A 26 4.886 0.695 7.641 1.00 0.00 O ATOM 388 CB GLU A 26 7.147 3.120 7.545 1.00 0.00 C ATOM 389 CG GLU A 26 7.961 2.608 8.735 1.00 0.00 C ATOM 390 CD GLU A 26 7.022 2.297 9.902 1.00 0.00 C ATOM 391 OE1 GLU A 26 6.140 1.473 9.724 1.00 0.00 O ATOM 392 OE2 GLU A 26 7.203 2.886 10.955 1.00 0.00 O ATOM 0 H GLU A 26 7.251 3.193 5.043 1.00 0.00 H new ATOM 0 HA GLU A 26 7.321 1.072 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.745 3.811 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.276 3.673 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.515 1.713 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.695 3.355 9.035 1.00 0.00 H new ATOM 399 N GLU A 27 4.348 2.430 6.397 1.00 0.00 N ATOM 400 CA GLU A 27 2.877 2.237 6.592 1.00 0.00 C ATOM 401 C GLU A 27 2.283 1.267 5.555 1.00 0.00 C ATOM 402 O GLU A 27 1.244 0.678 5.780 1.00 0.00 O ATOM 403 CB GLU A 27 2.194 3.595 6.444 1.00 0.00 C ATOM 404 CG GLU A 27 2.474 4.447 7.684 1.00 0.00 C ATOM 405 CD GLU A 27 3.453 5.565 7.324 1.00 0.00 C ATOM 406 OE1 GLU A 27 3.187 6.274 6.367 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.453 5.694 8.011 1.00 0.00 O ATOM 0 H GLU A 27 4.595 3.226 5.809 1.00 0.00 H new ATOM 0 HA GLU A 27 2.712 1.811 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.560 4.102 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.120 3.461 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.545 4.871 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.890 3.827 8.478 1.00 0.00 H new ATOM 414 N LEU A 28 2.903 1.113 4.416 1.00 0.00 N ATOM 415 CA LEU A 28 2.328 0.199 3.374 1.00 0.00 C ATOM 416 C LEU A 28 2.655 -1.268 3.685 1.00 0.00 C ATOM 417 O LEU A 28 1.764 -2.060 3.915 1.00 0.00 O ATOM 418 CB LEU A 28 2.887 0.586 2.003 1.00 0.00 C ATOM 419 CG LEU A 28 2.331 -0.352 0.932 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.823 0.469 -0.254 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.442 -1.289 0.460 1.00 0.00 C ATOM 0 H LEU A 28 3.776 1.574 4.159 1.00 0.00 H new ATOM 0 HA LEU A 28 1.243 0.305 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.621 1.617 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.976 0.533 2.016 1.00 0.00 H new ATOM 0 HG LEU A 28 1.509 -0.934 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.427 -0.201 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.035 1.144 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.645 1.050 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.051 -1.961 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.260 -0.702 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.808 -1.874 1.304 1.00 0.00 H new ATOM 433 N LYS A 29 3.911 -1.642 3.690 1.00 0.00 N ATOM 434 CA LYS A 29 4.273 -3.063 3.987 1.00 0.00 C ATOM 435 C LYS A 29 3.378 -3.591 5.109 1.00 0.00 C ATOM 436 O LYS A 29 3.089 -4.768 5.192 1.00 0.00 O ATOM 437 CB LYS A 29 5.742 -3.139 4.427 1.00 0.00 C ATOM 438 CG LYS A 29 5.878 -2.675 5.882 1.00 0.00 C ATOM 439 CD LYS A 29 7.337 -2.803 6.325 1.00 0.00 C ATOM 440 CE LYS A 29 7.421 -3.705 7.559 1.00 0.00 C ATOM 441 NZ LYS A 29 7.615 -5.120 7.129 1.00 0.00 N ATOM 0 H LYS A 29 4.701 -1.025 3.501 1.00 0.00 H new ATOM 0 HA LYS A 29 4.132 -3.668 3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.108 -4.161 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.357 -2.515 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.547 -1.641 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.237 -3.275 6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.938 -3.219 5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.746 -1.819 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.248 -3.391 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.510 -3.615 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.672 -5.733 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.812 -5.416 6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.496 -5.199 6.582 1.00 0.00 H new ATOM 455 N LEU A 30 2.932 -2.717 5.966 1.00 0.00 N ATOM 456 CA LEU A 30 2.045 -3.144 7.081 1.00 0.00 C ATOM 457 C LEU A 30 0.653 -3.422 6.520 1.00 0.00 C ATOM 458 O LEU A 30 0.128 -4.507 6.648 1.00 0.00 O ATOM 459 CB LEU A 30 1.958 -2.029 8.127 1.00 0.00 C ATOM 460 CG LEU A 30 3.322 -1.355 8.285 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.218 -0.237 9.325 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.348 -2.390 8.754 1.00 0.00 C ATOM 0 H LEU A 30 3.145 -1.720 5.941 1.00 0.00 H new ATOM 0 HA LEU A 30 2.447 -4.043 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.212 -1.294 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.633 -2.440 9.083 1.00 0.00 H new ATOM 0 HG LEU A 30 3.636 -0.937 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.189 0.245 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.484 0.499 8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.907 -0.657 10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.321 -1.912 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.034 -2.806 9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.420 -3.190 8.017 1.00 0.00 H new ATOM 474 N LEU A 31 0.058 -2.449 5.889 1.00 0.00 N ATOM 475 CA LEU A 31 -1.299 -2.652 5.307 1.00 0.00 C ATOM 476 C LEU A 31 -1.318 -3.967 4.524 1.00 0.00 C ATOM 477 O LEU A 31 -2.335 -4.624 4.418 1.00 0.00 O ATOM 478 CB LEU A 31 -1.623 -1.482 4.369 1.00 0.00 C ATOM 479 CG LEU A 31 -2.762 -1.869 3.419 1.00 0.00 C ATOM 480 CD1 LEU A 31 -4.009 -2.217 4.233 1.00 0.00 C ATOM 481 CD2 LEU A 31 -3.069 -0.692 2.487 1.00 0.00 C ATOM 0 H LEU A 31 0.454 -1.519 5.751 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.044 -2.695 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.907 -0.606 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.737 -1.209 3.795 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.465 -2.734 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.819 -2.492 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.789 -3.054 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.309 -1.353 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.879 -0.965 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.367 0.173 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.180 -0.445 1.907 1.00 0.00 H new ATOM 493 N LEU A 32 -0.204 -4.351 3.965 1.00 0.00 N ATOM 494 CA LEU A 32 -0.159 -5.614 3.180 1.00 0.00 C ATOM 495 C LEU A 32 -0.400 -6.818 4.098 1.00 0.00 C ATOM 496 O LEU A 32 -1.449 -7.432 4.070 1.00 0.00 O ATOM 497 CB LEU A 32 1.217 -5.745 2.524 1.00 0.00 C ATOM 498 CG LEU A 32 1.055 -5.923 1.014 1.00 0.00 C ATOM 499 CD1 LEU A 32 0.084 -7.070 0.731 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.505 -4.631 0.404 1.00 0.00 C ATOM 0 H LEU A 32 0.679 -3.843 4.019 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.937 -5.590 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.816 -4.858 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.751 -6.597 2.945 1.00 0.00 H new ATOM 0 HG LEU A 32 2.025 -6.153 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.029 -7.194 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.474 -7.992 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.886 -6.843 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.389 -4.757 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.464 -4.402 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.197 -3.812 0.601 1.00 0.00 H new ATOM 512 N GLN A 33 0.569 -7.167 4.901 1.00 0.00 N ATOM 513 CA GLN A 33 0.406 -8.340 5.810 1.00 0.00 C ATOM 514 C GLN A 33 -0.943 -8.260 6.528 1.00 0.00 C ATOM 515 O GLN A 33 -1.693 -9.215 6.565 1.00 0.00 O ATOM 516 CB GLN A 33 1.538 -8.349 6.843 1.00 0.00 C ATOM 517 CG GLN A 33 1.488 -7.068 7.675 1.00 0.00 C ATOM 518 CD GLN A 33 2.717 -7.001 8.585 1.00 0.00 C ATOM 519 OE1 GLN A 33 2.656 -7.382 9.737 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.837 -6.529 8.112 1.00 0.00 N ATOM 0 H GLN A 33 1.468 -6.690 4.967 1.00 0.00 H new ATOM 0 HA GLN A 33 0.443 -9.257 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.444 -9.219 7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.502 -8.430 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.460 -6.197 7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.577 -7.046 8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.888 -6.209 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.662 -6.480 8.709 1.00 0.00 H new ATOM 529 N THR A 34 -1.257 -7.132 7.102 1.00 0.00 N ATOM 530 CA THR A 34 -2.553 -6.996 7.819 1.00 0.00 C ATOM 531 C THR A 34 -3.674 -6.709 6.815 1.00 0.00 C ATOM 532 O THR A 34 -3.564 -5.827 5.995 1.00 0.00 O ATOM 533 CB THR A 34 -2.463 -5.847 8.827 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.391 -4.985 8.468 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.220 -6.411 10.228 1.00 0.00 C ATOM 0 H THR A 34 -0.670 -6.298 7.105 1.00 0.00 H new ATOM 0 HA THR A 34 -2.771 -7.925 8.345 1.00 0.00 H new ATOM 0 HB THR A 34 -3.398 -5.286 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.426 -4.803 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.156 -5.592 10.944 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.044 -7.070 10.503 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.287 -6.974 10.237 1.00 0.00 H new ATOM 543 N GLU A 35 -4.745 -7.461 6.899 1.00 0.00 N ATOM 544 CA GLU A 35 -5.925 -7.290 5.991 1.00 0.00 C ATOM 545 C GLU A 35 -5.591 -7.695 4.546 1.00 0.00 C ATOM 546 O GLU A 35 -6.460 -7.729 3.697 1.00 0.00 O ATOM 547 CB GLU A 35 -6.431 -5.842 6.057 1.00 0.00 C ATOM 548 CG GLU A 35 -5.700 -4.958 5.046 1.00 0.00 C ATOM 549 CD GLU A 35 -6.707 -4.379 4.050 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.397 -5.159 3.415 1.00 0.00 O ATOM 551 OE2 GLU A 35 -6.769 -3.166 3.938 1.00 0.00 O ATOM 0 H GLU A 35 -4.853 -8.211 7.582 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.718 -7.955 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.502 -5.818 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.285 -5.448 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.179 -4.152 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.944 -5.540 4.518 1.00 0.00 H new ATOM 558 N PHE A 36 -4.358 -8.009 4.249 1.00 0.00 N ATOM 559 CA PHE A 36 -4.017 -8.411 2.857 1.00 0.00 C ATOM 560 C PHE A 36 -2.897 -9.453 2.887 1.00 0.00 C ATOM 561 O PHE A 36 -1.773 -9.163 2.529 1.00 0.00 O ATOM 562 CB PHE A 36 -3.555 -7.186 2.066 1.00 0.00 C ATOM 563 CG PHE A 36 -4.759 -6.429 1.553 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.830 -7.120 0.970 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.804 -5.034 1.661 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.945 -6.415 0.499 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.918 -4.329 1.188 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.989 -5.020 0.608 1.00 0.00 C ATOM 0 H PHE A 36 -3.578 -8.004 4.906 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.898 -8.838 2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.949 -6.539 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.925 -7.496 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.796 -8.196 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.979 -4.501 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.771 -6.948 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.951 -3.253 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.849 -4.477 0.245 1.00 0.00 H new ATOM 578 N PRO A 37 -3.242 -10.642 3.313 1.00 0.00 N ATOM 579 CA PRO A 37 -2.283 -11.763 3.401 1.00 0.00 C ATOM 580 C PRO A 37 -1.978 -12.293 2.009 1.00 0.00 C ATOM 581 O PRO A 37 -0.854 -12.275 1.549 1.00 0.00 O ATOM 582 CB PRO A 37 -3.042 -12.843 4.168 1.00 0.00 C ATOM 583 CG PRO A 37 -4.537 -12.499 4.012 1.00 0.00 C ATOM 584 CD PRO A 37 -4.612 -10.983 3.747 1.00 0.00 C ATOM 0 HA PRO A 37 -1.345 -11.468 3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.825 -13.833 3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.751 -12.854 5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.980 -13.059 3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.092 -12.763 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.348 -10.746 2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.898 -10.432 4.643 1.00 0.00 H new ATOM 592 N SER A 38 -2.990 -12.797 1.351 1.00 0.00 N ATOM 593 CA SER A 38 -2.808 -13.370 0.007 1.00 0.00 C ATOM 594 C SER A 38 -1.822 -12.513 -0.788 1.00 0.00 C ATOM 595 O SER A 38 -1.044 -13.010 -1.578 1.00 0.00 O ATOM 596 CB SER A 38 -4.154 -13.419 -0.719 1.00 0.00 C ATOM 597 OG SER A 38 -4.899 -14.535 -0.246 1.00 0.00 O ATOM 0 H SER A 38 -3.946 -12.831 1.704 1.00 0.00 H new ATOM 0 HA SER A 38 -2.413 -14.382 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.708 -12.497 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.998 -13.500 -1.795 1.00 0.00 H new ATOM 0 HG SER A 38 -5.763 -14.570 -0.707 1.00 0.00 H new ATOM 603 N LEU A 39 -1.842 -11.223 -0.576 1.00 0.00 N ATOM 604 CA LEU A 39 -0.902 -10.331 -1.310 1.00 0.00 C ATOM 605 C LEU A 39 0.513 -10.536 -0.763 1.00 0.00 C ATOM 606 O LEU A 39 1.449 -10.763 -1.504 1.00 0.00 O ATOM 607 CB LEU A 39 -1.323 -8.871 -1.111 1.00 0.00 C ATOM 608 CG LEU A 39 -2.661 -8.625 -1.810 1.00 0.00 C ATOM 609 CD1 LEU A 39 -3.055 -7.154 -1.660 1.00 0.00 C ATOM 610 CD2 LEU A 39 -2.525 -8.966 -3.295 1.00 0.00 C ATOM 0 H LEU A 39 -2.470 -10.750 0.074 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.922 -10.570 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.410 -8.648 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.562 -8.204 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.429 -9.253 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.009 -6.980 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.148 -6.908 -0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.289 -6.524 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.477 -8.792 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.757 -8.336 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.244 -10.014 -3.404 1.00 0.00 H new ATOM 622 N LEU A 40 0.674 -10.463 0.531 1.00 0.00 N ATOM 623 CA LEU A 40 2.023 -10.657 1.134 1.00 0.00 C ATOM 624 C LEU A 40 2.111 -12.064 1.732 1.00 0.00 C ATOM 625 O LEU A 40 2.739 -12.278 2.750 1.00 0.00 O ATOM 626 CB LEU A 40 2.236 -9.619 2.239 1.00 0.00 C ATOM 627 CG LEU A 40 3.667 -9.085 2.175 1.00 0.00 C ATOM 628 CD1 LEU A 40 3.725 -7.905 1.205 1.00 0.00 C ATOM 629 CD2 LEU A 40 4.101 -8.614 3.567 1.00 0.00 C ATOM 0 H LEU A 40 -0.074 -10.277 1.199 1.00 0.00 H new ATOM 0 HA LEU A 40 2.790 -10.537 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.526 -8.800 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.048 -10.068 3.214 1.00 0.00 H new ATOM 0 HG LEU A 40 4.334 -9.876 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.745 -7.523 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.414 -8.234 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.057 -7.116 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.121 -8.233 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.434 -7.822 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.057 -9.451 4.264 1.00 0.00 H new ATOM 641 N LYS A 41 1.486 -13.022 1.105 1.00 0.00 N ATOM 642 CA LYS A 41 1.527 -14.414 1.633 1.00 0.00 C ATOM 643 C LYS A 41 2.474 -15.255 0.773 1.00 0.00 C ATOM 644 O LYS A 41 2.157 -16.362 0.387 1.00 0.00 O ATOM 645 CB LYS A 41 0.121 -15.018 1.583 1.00 0.00 C ATOM 646 CG LYS A 41 0.095 -16.326 2.376 1.00 0.00 C ATOM 647 CD LYS A 41 -0.023 -17.509 1.411 1.00 0.00 C ATOM 648 CE LYS A 41 -1.430 -18.104 1.501 1.00 0.00 C ATOM 649 NZ LYS A 41 -1.985 -18.276 0.127 1.00 0.00 N ATOM 0 H LYS A 41 0.947 -12.900 0.247 1.00 0.00 H new ATOM 0 HA LYS A 41 1.882 -14.404 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.602 -14.316 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.170 -15.202 0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.002 -16.419 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.745 -16.325 3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.180 -17.182 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.720 -18.268 1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.398 -19.065 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.076 -17.450 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.941 -18.680 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.029 -17.352 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.372 -18.916 -0.417 1.00 0.00 H new ATOM 663 N GLY A 42 3.633 -14.737 0.469 1.00 0.00 N ATOM 664 CA GLY A 42 4.597 -15.506 -0.368 1.00 0.00 C ATOM 665 C GLY A 42 5.355 -14.544 -1.285 1.00 0.00 C ATOM 666 O GLY A 42 6.253 -13.843 -0.861 1.00 0.00 O ATOM 0 H GLY A 42 3.954 -13.815 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.297 -16.047 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.067 -16.250 -0.962 1.00 0.00 H new ATOM 670 N MET A 43 5.000 -14.504 -2.541 1.00 0.00 N ATOM 671 CA MET A 43 5.698 -13.585 -3.484 1.00 0.00 C ATOM 672 C MET A 43 5.331 -12.136 -3.146 1.00 0.00 C ATOM 673 O MET A 43 4.668 -11.871 -2.162 1.00 0.00 O ATOM 674 CB MET A 43 5.267 -13.904 -4.918 1.00 0.00 C ATOM 675 CG MET A 43 3.758 -13.695 -5.056 1.00 0.00 C ATOM 676 SD MET A 43 3.326 -13.528 -6.805 1.00 0.00 S ATOM 677 CE MET A 43 2.701 -15.209 -7.050 1.00 0.00 C ATOM 0 H MET A 43 4.257 -15.068 -2.954 1.00 0.00 H new ATOM 0 HA MET A 43 6.776 -13.716 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 43 5.799 -13.262 -5.620 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.527 -14.933 -5.167 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.222 -14.537 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.453 -12.803 -4.509 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.374 -15.329 -8.083 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.493 -15.927 -6.835 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.860 -15.386 -6.380 1.00 0.00 H new ATOM 687 N SER A 44 5.754 -11.197 -3.948 1.00 0.00 N ATOM 688 CA SER A 44 5.425 -9.770 -3.662 1.00 0.00 C ATOM 689 C SER A 44 5.750 -9.459 -2.200 1.00 0.00 C ATOM 690 O SER A 44 4.893 -9.498 -1.340 1.00 0.00 O ATOM 691 CB SER A 44 3.937 -9.529 -3.913 1.00 0.00 C ATOM 692 OG SER A 44 3.744 -8.188 -4.343 1.00 0.00 O ATOM 0 H SER A 44 6.312 -11.355 -4.787 1.00 0.00 H new ATOM 0 HA SER A 44 6.012 -9.123 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.567 -10.222 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.368 -9.717 -3.002 1.00 0.00 H new ATOM 0 HG SER A 44 3.785 -8.149 -5.321 1.00 0.00 H new ATOM 698 N THR A 45 6.987 -9.160 -1.911 1.00 0.00 N ATOM 699 CA THR A 45 7.376 -8.856 -0.510 1.00 0.00 C ATOM 700 C THR A 45 7.288 -7.348 -0.261 1.00 0.00 C ATOM 701 O THR A 45 6.890 -6.590 -1.120 1.00 0.00 O ATOM 702 CB THR A 45 8.812 -9.333 -0.291 1.00 0.00 C ATOM 703 OG1 THR A 45 9.363 -9.750 -1.532 1.00 0.00 O ATOM 704 CG2 THR A 45 8.817 -10.504 0.688 1.00 0.00 C ATOM 0 H THR A 45 7.747 -9.114 -2.590 1.00 0.00 H new ATOM 0 HA THR A 45 6.704 -9.364 0.181 1.00 0.00 H new ATOM 0 HB THR A 45 9.409 -8.518 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.284 -10.055 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.841 -10.844 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.392 -10.185 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.222 -11.321 0.281 1.00 0.00 H new ATOM 712 N LEU A 46 7.659 -6.909 0.913 1.00 0.00 N ATOM 713 CA LEU A 46 7.596 -5.452 1.229 1.00 0.00 C ATOM 714 C LEU A 46 8.564 -4.658 0.336 1.00 0.00 C ATOM 715 O LEU A 46 8.593 -3.443 0.380 1.00 0.00 O ATOM 716 CB LEU A 46 7.974 -5.237 2.696 1.00 0.00 C ATOM 717 CG LEU A 46 9.136 -6.159 3.070 1.00 0.00 C ATOM 718 CD1 LEU A 46 10.234 -5.345 3.755 1.00 0.00 C ATOM 719 CD2 LEU A 46 8.638 -7.245 4.027 1.00 0.00 C ATOM 0 H LEU A 46 8.004 -7.500 1.669 1.00 0.00 H new ATOM 0 HA LEU A 46 6.581 -5.099 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.255 -4.197 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.116 -5.440 3.336 1.00 0.00 H new ATOM 0 HG LEU A 46 9.535 -6.622 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.062 -6.002 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.590 -4.570 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.834 -4.881 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.466 -7.902 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.239 -6.780 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.855 -7.827 3.541 1.00 0.00 H new ATOM 731 N ASP A 47 9.340 -5.316 -0.488 1.00 0.00 N ATOM 732 CA ASP A 47 10.271 -4.576 -1.385 1.00 0.00 C ATOM 733 C ASP A 47 9.484 -4.174 -2.616 1.00 0.00 C ATOM 734 O ASP A 47 9.432 -3.039 -3.003 1.00 0.00 O ATOM 735 CB ASP A 47 11.433 -5.486 -1.782 1.00 0.00 C ATOM 736 CG ASP A 47 12.663 -5.150 -0.935 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.489 -4.857 0.237 1.00 0.00 O ATOM 738 OD2 ASP A 47 13.756 -5.191 -1.474 1.00 0.00 O ATOM 0 H ASP A 47 9.367 -6.332 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 47 10.679 -3.697 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.155 -6.530 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.662 -5.359 -2.840 1.00 0.00 H new ATOM 743 N GLU A 48 8.866 -5.142 -3.200 1.00 0.00 N ATOM 744 CA GLU A 48 8.033 -4.972 -4.390 1.00 0.00 C ATOM 745 C GLU A 48 6.953 -3.935 -4.090 1.00 0.00 C ATOM 746 O GLU A 48 6.691 -3.064 -4.862 1.00 0.00 O ATOM 747 CB GLU A 48 7.479 -6.378 -4.714 1.00 0.00 C ATOM 748 CG GLU A 48 5.967 -6.403 -4.955 1.00 0.00 C ATOM 749 CD GLU A 48 5.692 -6.890 -6.379 1.00 0.00 C ATOM 750 OE1 GLU A 48 6.531 -6.661 -7.235 1.00 0.00 O ATOM 751 OE2 GLU A 48 4.646 -7.483 -6.589 1.00 0.00 O ATOM 0 H GLU A 48 8.913 -6.107 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 48 8.572 -4.595 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.986 -6.763 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.718 -7.052 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.483 -7.061 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.547 -5.407 -4.811 1.00 0.00 H new ATOM 758 N LEU A 49 6.352 -3.976 -2.955 1.00 0.00 N ATOM 759 CA LEU A 49 5.338 -2.920 -2.668 1.00 0.00 C ATOM 760 C LEU A 49 6.066 -1.589 -2.789 1.00 0.00 C ATOM 761 O LEU A 49 5.509 -0.574 -3.156 1.00 0.00 O ATOM 762 CB LEU A 49 4.762 -3.048 -1.254 1.00 0.00 C ATOM 763 CG LEU A 49 4.948 -4.463 -0.723 1.00 0.00 C ATOM 764 CD1 LEU A 49 4.208 -4.603 0.607 1.00 0.00 C ATOM 765 CD2 LEU A 49 4.380 -5.460 -1.737 1.00 0.00 C ATOM 0 H LEU A 49 6.503 -4.669 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 49 4.503 -3.009 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.254 -2.337 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.702 -2.794 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 49 6.008 -4.665 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.338 -5.615 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.611 -3.888 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.147 -4.406 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.511 -6.475 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.319 -5.262 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.906 -5.354 -2.686 1.00 0.00 H new ATOM 777 N PHE A 50 7.327 -1.616 -2.470 1.00 0.00 N ATOM 778 CA PHE A 50 8.172 -0.396 -2.537 1.00 0.00 C ATOM 779 C PHE A 50 8.541 -0.076 -3.993 1.00 0.00 C ATOM 780 O PHE A 50 8.099 0.910 -4.530 1.00 0.00 O ATOM 781 CB PHE A 50 9.438 -0.632 -1.708 1.00 0.00 C ATOM 782 CG PHE A 50 9.885 0.663 -1.064 1.00 0.00 C ATOM 783 CD1 PHE A 50 9.833 1.861 -1.791 1.00 0.00 C ATOM 784 CD2 PHE A 50 10.359 0.667 0.254 1.00 0.00 C ATOM 785 CE1 PHE A 50 10.254 3.059 -1.200 1.00 0.00 C ATOM 786 CE2 PHE A 50 10.778 1.866 0.844 1.00 0.00 C ATOM 787 CZ PHE A 50 10.726 3.061 0.117 1.00 0.00 C ATOM 0 H PHE A 50 7.819 -2.454 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 50 7.620 0.454 -2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.245 -1.382 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.231 -1.024 -2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.468 1.860 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.401 -0.255 0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.214 3.981 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.142 1.869 1.861 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.050 3.985 0.573 1.00 0.00 H new ATOM 797 N GLU A 51 9.350 -0.891 -4.634 1.00 0.00 N ATOM 798 CA GLU A 51 9.750 -0.614 -6.048 1.00 0.00 C ATOM 799 C GLU A 51 8.512 -0.595 -6.946 1.00 0.00 C ATOM 800 O GLU A 51 8.379 0.237 -7.822 1.00 0.00 O ATOM 801 CB GLU A 51 10.747 -1.683 -6.542 1.00 0.00 C ATOM 802 CG GLU A 51 10.281 -3.101 -6.169 1.00 0.00 C ATOM 803 CD GLU A 51 10.576 -4.054 -7.330 1.00 0.00 C ATOM 804 OE1 GLU A 51 10.233 -3.715 -8.450 1.00 0.00 O ATOM 805 OE2 GLU A 51 11.139 -5.106 -7.079 1.00 0.00 O ATOM 0 H GLU A 51 9.750 -1.739 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 51 10.235 0.361 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.857 -1.607 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.729 -1.495 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.793 -3.439 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.214 -3.099 -5.948 1.00 0.00 H new ATOM 812 N GLU A 52 7.611 -1.509 -6.742 1.00 0.00 N ATOM 813 CA GLU A 52 6.373 -1.547 -7.589 1.00 0.00 C ATOM 814 C GLU A 52 5.681 -0.174 -7.617 1.00 0.00 C ATOM 815 O GLU A 52 5.006 0.171 -8.566 1.00 0.00 O ATOM 816 CB GLU A 52 5.383 -2.539 -6.991 1.00 0.00 C ATOM 817 CG GLU A 52 5.942 -3.960 -7.070 1.00 0.00 C ATOM 818 CD GLU A 52 5.888 -4.454 -8.516 1.00 0.00 C ATOM 819 OE1 GLU A 52 4.847 -4.951 -8.913 1.00 0.00 O ATOM 820 OE2 GLU A 52 6.889 -4.329 -9.202 1.00 0.00 O ATOM 0 H GLU A 52 7.670 -2.235 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 52 6.668 -1.834 -8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.179 -2.278 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.435 -2.484 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.970 -3.978 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.365 -4.625 -6.426 1.00 0.00 H new ATOM 827 N LEU A 53 5.820 0.594 -6.573 1.00 0.00 N ATOM 828 CA LEU A 53 5.170 1.911 -6.496 1.00 0.00 C ATOM 829 C LEU A 53 6.246 2.939 -6.168 1.00 0.00 C ATOM 830 O LEU A 53 5.977 4.100 -5.929 1.00 0.00 O ATOM 831 CB LEU A 53 4.139 1.853 -5.373 1.00 0.00 C ATOM 832 CG LEU A 53 2.734 1.530 -5.910 1.00 0.00 C ATOM 833 CD1 LEU A 53 2.803 0.696 -7.199 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.987 0.724 -4.851 1.00 0.00 C ATOM 0 H LEU A 53 6.374 0.348 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 53 4.679 2.180 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.434 1.096 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.118 2.808 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 53 2.224 2.467 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.793 0.486 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.345 1.252 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.320 -0.242 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.987 0.485 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.529 -0.199 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.910 1.310 -3.935 1.00 0.00 H new ATOM 846 N ASP A 54 7.482 2.505 -6.191 1.00 0.00 N ATOM 847 CA ASP A 54 8.623 3.424 -5.922 1.00 0.00 C ATOM 848 C ASP A 54 8.785 4.354 -7.104 1.00 0.00 C ATOM 849 O ASP A 54 9.649 5.208 -7.133 1.00 0.00 O ATOM 850 CB ASP A 54 9.904 2.626 -5.774 1.00 0.00 C ATOM 851 CG ASP A 54 11.070 3.574 -5.490 1.00 0.00 C ATOM 852 OD1 ASP A 54 10.813 4.670 -5.019 1.00 0.00 O ATOM 853 OD2 ASP A 54 12.198 3.188 -5.746 1.00 0.00 O ATOM 0 H ASP A 54 7.749 1.540 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 54 8.426 3.983 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.803 1.905 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.097 2.058 -6.684 1.00 0.00 H new ATOM 858 N LYS A 55 7.944 4.180 -8.065 1.00 0.00 N ATOM 859 CA LYS A 55 7.959 5.010 -9.273 1.00 0.00 C ATOM 860 C LYS A 55 8.321 6.443 -8.901 1.00 0.00 C ATOM 861 O LYS A 55 8.156 6.839 -7.766 1.00 0.00 O ATOM 862 CB LYS A 55 6.527 5.004 -9.788 1.00 0.00 C ATOM 863 CG LYS A 55 5.566 5.282 -8.611 1.00 0.00 C ATOM 864 CD LYS A 55 4.874 6.644 -8.776 1.00 0.00 C ATOM 865 CE LYS A 55 5.354 7.600 -7.665 1.00 0.00 C ATOM 866 NZ LYS A 55 5.114 6.971 -6.338 1.00 0.00 N ATOM 0 H LYS A 55 7.217 3.465 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 55 8.675 4.639 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.403 5.761 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.295 4.041 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.816 4.493 -8.555 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.120 5.263 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.102 7.064 -9.756 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.792 6.523 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.415 7.818 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.823 8.550 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.075 7.709 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.212 6.454 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.887 6.310 -6.122 1.00 0.00 H new ATOM 880 N ASN A 56 8.773 7.249 -9.820 1.00 0.00 N ATOM 881 CA ASN A 56 9.050 8.637 -9.412 1.00 0.00 C ATOM 882 C ASN A 56 7.869 9.542 -9.523 1.00 0.00 C ATOM 883 O ASN A 56 8.029 10.743 -9.446 1.00 0.00 O ATOM 884 CB ASN A 56 10.298 9.276 -10.009 1.00 0.00 C ATOM 885 CG ASN A 56 11.187 9.609 -8.815 1.00 0.00 C ATOM 886 OD1 ASN A 56 12.359 9.293 -8.767 1.00 0.00 O ATOM 887 ND2 ASN A 56 10.601 10.269 -7.826 1.00 0.00 N ATOM 0 H ASN A 56 8.954 7.014 -10.796 1.00 0.00 H new ATOM 0 HA ASN A 56 9.279 8.518 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.800 8.594 -10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.048 10.173 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.136 10.525 -6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.615 10.521 -7.895 1.00 0.00 H new ATOM 894 N GLY A 57 6.673 9.004 -9.596 1.00 0.00 N ATOM 895 CA GLY A 57 5.486 9.919 -9.556 1.00 0.00 C ATOM 896 C GLY A 57 5.862 10.970 -8.518 1.00 0.00 C ATOM 897 O GLY A 57 5.778 12.167 -8.719 1.00 0.00 O ATOM 0 H GLY A 57 6.470 8.008 -9.679 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.298 10.370 -10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.580 9.384 -9.272 1.00 0.00 H new ATOM 901 N ASP A 58 6.434 10.461 -7.465 1.00 0.00 N ATOM 902 CA ASP A 58 7.030 11.293 -6.409 1.00 0.00 C ATOM 903 C ASP A 58 7.872 10.406 -5.481 1.00 0.00 C ATOM 904 O ASP A 58 8.899 10.825 -4.983 1.00 0.00 O ATOM 905 CB ASP A 58 6.012 12.110 -5.630 1.00 0.00 C ATOM 906 CG ASP A 58 4.621 11.488 -5.764 1.00 0.00 C ATOM 907 OD1 ASP A 58 4.352 10.529 -5.059 1.00 0.00 O ATOM 908 OD2 ASP A 58 3.846 11.982 -6.567 1.00 0.00 O ATOM 0 H ASP A 58 6.511 9.458 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 58 7.670 12.030 -6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.298 12.155 -4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.997 13.135 -6.001 1.00 0.00 H new ATOM 913 N GLY A 59 7.465 9.174 -5.251 1.00 0.00 N ATOM 914 CA GLY A 59 8.277 8.289 -4.366 1.00 0.00 C ATOM 915 C GLY A 59 7.376 7.631 -3.320 1.00 0.00 C ATOM 916 O GLY A 59 7.588 6.499 -2.932 1.00 0.00 O ATOM 0 H GLY A 59 6.618 8.754 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.776 7.524 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.057 8.870 -3.873 1.00 0.00 H new ATOM 920 N GLU A 60 6.376 8.328 -2.861 1.00 0.00 N ATOM 921 CA GLU A 60 5.465 7.734 -1.840 1.00 0.00 C ATOM 922 C GLU A 60 4.292 7.057 -2.549 1.00 0.00 C ATOM 923 O GLU A 60 4.193 7.084 -3.758 1.00 0.00 O ATOM 924 CB GLU A 60 4.946 8.837 -0.918 1.00 0.00 C ATOM 925 CG GLU A 60 5.917 9.028 0.246 1.00 0.00 C ATOM 926 CD GLU A 60 7.212 9.661 -0.269 1.00 0.00 C ATOM 927 OE1 GLU A 60 7.127 10.536 -1.114 1.00 0.00 O ATOM 928 OE2 GLU A 60 8.267 9.259 0.193 1.00 0.00 O ATOM 0 H GLU A 60 6.149 9.281 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 60 6.005 6.997 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.839 9.769 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.957 8.575 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.467 9.664 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.131 8.068 0.717 1.00 0.00 H new ATOM 935 N VAL A 61 3.405 6.435 -1.819 1.00 0.00 N ATOM 936 CA VAL A 61 2.261 5.757 -2.494 1.00 0.00 C ATOM 937 C VAL A 61 0.942 6.133 -1.833 1.00 0.00 C ATOM 938 O VAL A 61 0.477 5.497 -0.910 1.00 0.00 O ATOM 939 CB VAL A 61 2.465 4.260 -2.432 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.497 3.567 -3.392 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.897 3.963 -2.851 1.00 0.00 C ATOM 0 H VAL A 61 3.421 6.367 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 61 2.221 6.080 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 61 2.279 3.895 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.647 2.488 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.471 3.803 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.682 3.914 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.071 2.888 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.061 4.323 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.586 4.465 -2.172 1.00 0.00 H new ATOM 951 N SER A 62 0.336 7.157 -2.337 1.00 0.00 N ATOM 952 CA SER A 62 -0.975 7.622 -1.798 1.00 0.00 C ATOM 953 C SER A 62 -2.010 6.527 -1.988 1.00 0.00 C ATOM 954 O SER A 62 -1.681 5.365 -2.047 1.00 0.00 O ATOM 955 CB SER A 62 -1.398 8.886 -2.551 1.00 0.00 C ATOM 956 OG SER A 62 -2.280 8.532 -3.608 1.00 0.00 O ATOM 0 H SER A 62 0.695 7.709 -3.116 1.00 0.00 H new ATOM 0 HA SER A 62 -0.889 7.847 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.889 9.581 -1.870 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.521 9.396 -2.950 1.00 0.00 H new ATOM 0 HG SER A 62 -2.553 9.340 -4.090 1.00 0.00 H new ATOM 962 N PHE A 63 -3.253 6.887 -2.098 1.00 0.00 N ATOM 963 CA PHE A 63 -4.302 5.863 -2.297 1.00 0.00 C ATOM 964 C PHE A 63 -4.243 5.386 -3.736 1.00 0.00 C ATOM 965 O PHE A 63 -3.752 4.330 -4.002 1.00 0.00 O ATOM 966 CB PHE A 63 -5.674 6.468 -2.037 1.00 0.00 C ATOM 967 CG PHE A 63 -6.624 5.328 -2.117 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.410 4.232 -1.292 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.655 5.323 -3.048 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.232 3.119 -1.376 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.477 4.204 -3.158 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.274 3.093 -2.321 1.00 0.00 C ATOM 0 H PHE A 63 -3.587 7.850 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.138 5.034 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.714 6.946 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.914 7.233 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.598 4.247 -0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.818 6.182 -3.683 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.073 2.276 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.273 4.190 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.913 2.226 -2.403 1.00 0.00 H new ATOM 982 N GLU A 64 -4.718 6.161 -4.660 1.00 0.00 N ATOM 983 CA GLU A 64 -4.708 5.719 -6.101 1.00 0.00 C ATOM 984 C GLU A 64 -3.431 4.937 -6.421 1.00 0.00 C ATOM 985 O GLU A 64 -3.489 3.862 -6.984 1.00 0.00 O ATOM 986 CB GLU A 64 -4.809 6.945 -7.012 1.00 0.00 C ATOM 987 CG GLU A 64 -6.271 7.388 -7.103 1.00 0.00 C ATOM 988 CD GLU A 64 -6.467 8.257 -8.347 1.00 0.00 C ATOM 989 OE1 GLU A 64 -6.292 9.459 -8.239 1.00 0.00 O ATOM 990 OE2 GLU A 64 -6.790 7.705 -9.385 1.00 0.00 O ATOM 0 H GLU A 64 -5.116 7.085 -4.494 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.563 5.064 -6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.195 7.756 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.426 6.707 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.924 6.516 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.549 7.947 -6.209 1.00 0.00 H new ATOM 997 N GLU A 65 -2.286 5.435 -6.060 1.00 0.00 N ATOM 998 CA GLU A 65 -1.042 4.665 -6.348 1.00 0.00 C ATOM 999 C GLU A 65 -1.131 3.318 -5.625 1.00 0.00 C ATOM 1000 O GLU A 65 -0.882 2.269 -6.187 1.00 0.00 O ATOM 1001 CB GLU A 65 0.174 5.438 -5.834 1.00 0.00 C ATOM 1002 CG GLU A 65 0.299 6.760 -6.591 1.00 0.00 C ATOM 1003 CD GLU A 65 1.610 6.771 -7.382 1.00 0.00 C ATOM 1004 OE1 GLU A 65 1.637 6.187 -8.453 1.00 0.00 O ATOM 1005 OE2 GLU A 65 2.563 7.361 -6.902 1.00 0.00 O ATOM 0 H GLU A 65 -2.154 6.328 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.937 4.513 -7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.072 5.627 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.078 4.844 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.547 6.886 -7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.276 7.596 -5.892 1.00 0.00 H new ATOM 1012 N PHE A 66 -1.488 3.358 -4.374 1.00 0.00 N ATOM 1013 CA PHE A 66 -1.615 2.125 -3.556 1.00 0.00 C ATOM 1014 C PHE A 66 -2.757 1.233 -4.035 1.00 0.00 C ATOM 1015 O PHE A 66 -2.618 0.051 -4.173 1.00 0.00 O ATOM 1016 CB PHE A 66 -1.952 2.551 -2.107 1.00 0.00 C ATOM 1017 CG PHE A 66 -2.914 1.532 -1.567 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -2.443 0.338 -1.037 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -4.284 1.727 -1.765 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -3.346 -0.663 -0.718 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -5.181 0.745 -1.431 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.713 -0.454 -0.918 1.00 0.00 C ATOM 0 H PHE A 66 -1.703 4.219 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.679 1.571 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.050 2.592 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.394 3.547 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.385 0.191 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.638 2.657 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.995 -1.602 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.241 0.904 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.414 -1.237 -0.669 1.00 0.00 H new ATOM 1032 N GLN A 67 -3.911 1.787 -4.107 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.124 1.008 -4.366 1.00 0.00 C ATOM 1034 C GLN A 67 -5.107 0.288 -5.703 1.00 0.00 C ATOM 1035 O GLN A 67 -6.023 -0.429 -6.036 1.00 0.00 O ATOM 1036 CB GLN A 67 -6.313 1.943 -4.143 1.00 0.00 C ATOM 1037 CG GLN A 67 -6.201 3.173 -5.041 1.00 0.00 C ATOM 1038 CD GLN A 67 -6.304 2.701 -6.448 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.701 3.244 -7.351 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -7.061 1.696 -6.669 1.00 0.00 N ATOM 0 H GLN A 67 -4.070 2.788 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.201 0.173 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.243 1.415 -4.354 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.351 2.250 -3.098 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.993 3.887 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.253 3.685 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.559 1.253 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.167 1.336 -7.618 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.043 0.364 -6.435 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.993 -0.440 -7.664 1.00 0.00 C ATOM 1051 C VAL A 68 -3.891 -1.907 -7.223 1.00 0.00 C ATOM 1052 O VAL A 68 -3.977 -2.816 -8.023 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.782 -0.051 -8.514 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -1.502 -0.234 -7.695 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.722 -0.945 -9.754 1.00 0.00 C ATOM 0 H VAL A 68 -3.222 0.937 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.880 -0.274 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.873 0.992 -8.819 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.640 0.043 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.543 0.401 -6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.411 -1.277 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.859 -0.669 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.631 -1.987 -9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.633 -0.817 -10.339 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.750 -2.134 -5.930 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.697 -3.523 -5.404 1.00 0.00 C ATOM 1067 C LEU A 69 -5.118 -3.990 -5.330 1.00 0.00 C ATOM 1068 O LEU A 69 -5.468 -5.064 -5.763 1.00 0.00 O ATOM 1069 CB LEU A 69 -3.131 -3.569 -3.986 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.991 -2.606 -3.925 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.649 -2.283 -2.472 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.768 -3.198 -4.627 1.00 0.00 C ATOM 0 H LEU A 69 -3.670 -1.404 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.064 -4.134 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.898 -3.302 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.795 -4.576 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.283 -1.686 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.816 -1.580 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.517 -1.839 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.369 -3.199 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.058 -2.489 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.480 -4.126 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.010 -3.401 -5.670 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.948 -3.154 -4.775 1.00 0.00 N ATOM 1085 CA VAL A 70 -7.387 -3.531 -4.669 1.00 0.00 C ATOM 1086 C VAL A 70 -7.889 -3.748 -6.088 1.00 0.00 C ATOM 1087 O VAL A 70 -8.796 -4.518 -6.335 1.00 0.00 O ATOM 1088 CB VAL A 70 -8.230 -2.464 -3.942 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.148 -2.700 -2.435 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.733 -1.050 -4.251 1.00 0.00 C ATOM 0 H VAL A 70 -5.700 -2.240 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.486 -4.435 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.259 -2.550 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.742 -1.948 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.533 -3.692 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.110 -2.628 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.350 -0.324 -3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.697 -0.950 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.797 -0.868 -5.324 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.250 -3.113 -7.032 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.619 -3.316 -8.452 1.00 0.00 C ATOM 1102 C LYS A 71 -6.974 -4.631 -8.881 1.00 0.00 C ATOM 1103 O LYS A 71 -7.517 -5.392 -9.657 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.069 -2.163 -9.295 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.086 -2.551 -10.774 1.00 0.00 C ATOM 1106 CD LYS A 71 -6.367 -1.477 -11.595 1.00 0.00 C ATOM 1107 CE LYS A 71 -6.845 -0.089 -11.160 1.00 0.00 C ATOM 1108 NZ LYS A 71 -6.069 0.959 -11.885 1.00 0.00 N ATOM 0 H LYS A 71 -6.484 -2.459 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.700 -3.346 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.669 -1.267 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.052 -1.925 -8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.599 -3.516 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.114 -2.660 -11.120 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.289 -1.561 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.565 -1.624 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.909 0.022 -11.369 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.718 0.030 -10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.396 1.901 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.058 0.857 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.212 0.850 -12.909 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.814 -4.907 -8.339 1.00 0.00 N ATOM 1123 CA LYS A 72 -5.108 -6.176 -8.652 1.00 0.00 C ATOM 1124 C LYS A 72 -5.602 -7.261 -7.686 1.00 0.00 C ATOM 1125 O LYS A 72 -5.127 -8.380 -7.696 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.604 -5.970 -8.451 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.841 -6.515 -9.657 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.405 -6.851 -9.248 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.487 -6.741 -10.468 1.00 0.00 C ATOM 1130 NZ LYS A 72 0.931 -6.661 -10.018 1.00 0.00 N ATOM 0 H LYS A 72 -5.324 -4.296 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.304 -6.475 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.387 -4.910 -8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.277 -6.476 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.338 -7.406 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.838 -5.779 -10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.070 -6.171 -8.465 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.360 -7.859 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.625 -7.604 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.745 -5.857 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.555 -6.586 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.057 -5.824 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.173 -7.517 -9.479 1.00 0.00 H new ATOM 1144 N ILE A 73 -6.547 -6.927 -6.843 1.00 0.00 N ATOM 1145 CA ILE A 73 -7.077 -7.907 -5.868 1.00 0.00 C ATOM 1146 C ILE A 73 -8.417 -8.444 -6.383 1.00 0.00 C ATOM 1147 O ILE A 73 -9.221 -8.989 -5.653 1.00 0.00 O ATOM 1148 CB ILE A 73 -7.269 -7.193 -4.521 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.908 -6.980 -3.841 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -8.157 -8.038 -3.611 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.998 -5.803 -2.855 1.00 0.00 C ATOM 0 H ILE A 73 -6.974 -6.002 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.388 -8.742 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.741 -6.227 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.608 -7.886 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.143 -6.780 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.290 -7.528 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.128 -8.184 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.687 -9.007 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.031 -5.656 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.278 -4.898 -3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.750 -6.021 -2.096 1.00 0.00 H new