USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.735 K(o=-0.74,f=-1.9) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 27:sc= 0.0378 USER MOD Single : A 47 LYS NZ :NH3+ 156:sc= -0.165 (180deg=-0.707) USER MOD Single : A 48 CYS SG : rot 21:sc= -3.05 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.3) USER MOD Single : A 63 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.092 4.554 -3.636 1.00 0.00 N ATOM 60 CA GLY A 7 10.272 3.654 -2.847 1.00 0.00 C ATOM 61 C GLY A 7 9.832 4.270 -1.534 1.00 0.00 C ATOM 62 O GLY A 7 10.648 4.484 -0.636 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.392 3.369 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.831 2.740 -2.647 1.00 0.00 H new ATOM 66 N LEU A 8 8.540 4.558 -1.420 1.00 0.00 N ATOM 67 CA LEU A 8 7.994 5.156 -0.207 1.00 0.00 C ATOM 68 C LEU A 8 7.493 4.080 0.752 1.00 0.00 C ATOM 69 O LEU A 8 7.467 2.896 0.415 1.00 0.00 O ATOM 70 CB LEU A 8 6.854 6.114 -0.556 1.00 0.00 C ATOM 71 CG LEU A 8 7.268 7.464 -1.143 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.131 8.233 -0.155 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.005 7.270 -2.460 1.00 0.00 C ATOM 0 H LEU A 8 7.851 4.387 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 8 8.791 5.713 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.194 5.618 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.270 6.296 0.346 1.00 0.00 H new ATOM 0 HG LEU A 8 6.367 8.046 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.416 9.191 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.569 8.404 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.028 7.656 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.292 8.241 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.898 6.669 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.353 6.761 -3.170 1.00 0.00 H new ATOM 85 N LEU A 9 7.096 4.500 1.948 1.00 0.00 N ATOM 86 CA LEU A 9 6.593 3.573 2.956 1.00 0.00 C ATOM 87 C LEU A 9 5.247 4.038 3.501 1.00 0.00 C ATOM 88 O LEU A 9 5.091 5.193 3.894 1.00 0.00 O ATOM 89 CB LEU A 9 7.600 3.438 4.100 1.00 0.00 C ATOM 90 CG LEU A 9 8.962 2.849 3.730 1.00 0.00 C ATOM 91 CD1 LEU A 9 10.027 3.309 4.713 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.892 1.329 3.689 1.00 0.00 C ATOM 0 H LEU A 9 7.113 5.476 2.244 1.00 0.00 H new ATOM 0 HA LEU A 9 6.456 2.600 2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.759 4.425 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.156 2.815 4.876 1.00 0.00 H new ATOM 0 HG LEU A 9 9.234 3.207 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.989 2.880 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.095 4.397 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.761 2.980 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.870 0.927 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.598 0.952 4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.158 1.018 2.945 1.00 0.00 H new ATOM 104 N ALA A 10 4.277 3.129 3.522 1.00 0.00 N ATOM 105 CA ALA A 10 2.945 3.445 4.023 1.00 0.00 C ATOM 106 C ALA A 10 2.440 2.357 4.964 1.00 0.00 C ATOM 107 O ALA A 10 3.006 1.266 5.027 1.00 0.00 O ATOM 108 CB ALA A 10 1.977 3.634 2.864 1.00 0.00 C ATOM 0 H ALA A 10 4.389 2.168 3.198 1.00 0.00 H new ATOM 0 HA ALA A 10 3.007 4.376 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.986 3.869 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.322 4.451 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.928 2.717 2.277 1.00 0.00 H new ATOM 114 N ARG A 11 1.373 2.662 5.695 1.00 0.00 N ATOM 115 CA ARG A 11 0.793 1.711 6.635 1.00 0.00 C ATOM 116 C ARG A 11 -0.522 1.150 6.101 1.00 0.00 C ATOM 117 O ARG A 11 -1.143 1.736 5.214 1.00 0.00 O ATOM 118 CB ARG A 11 0.561 2.378 7.992 1.00 0.00 C ATOM 119 CG ARG A 11 0.171 1.404 9.092 1.00 0.00 C ATOM 120 CD ARG A 11 -0.192 2.131 10.377 1.00 0.00 C ATOM 121 NE ARG A 11 0.076 1.318 11.560 1.00 0.00 N ATOM 122 CZ ARG A 11 1.295 1.098 12.040 1.00 0.00 C ATOM 123 NH1 ARG A 11 2.352 1.628 11.442 1.00 0.00 N ATOM 124 NH2 ARG A 11 1.457 0.346 13.122 1.00 0.00 N ATOM 0 H ARG A 11 0.893 3.561 5.654 1.00 0.00 H new ATOM 0 HA ARG A 11 1.496 0.887 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.469 2.903 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.222 3.129 7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.675 0.801 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.997 0.718 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.374 3.060 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.248 2.402 10.355 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.716 0.896 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.231 2.207 10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.287 1.457 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.645 -0.063 13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.393 0.177 13.490 1.00 0.00 H new ATOM 138 N ALA A 12 -0.939 0.012 6.645 1.00 0.00 N ATOM 139 CA ALA A 12 -2.180 -0.626 6.224 1.00 0.00 C ATOM 140 C ALA A 12 -3.231 -0.564 7.328 1.00 0.00 C ATOM 141 O ALA A 12 -3.206 -1.359 8.268 1.00 0.00 O ATOM 142 CB ALA A 12 -1.920 -2.070 5.821 1.00 0.00 C ATOM 0 H ALA A 12 -0.436 -0.487 7.378 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.565 -0.083 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.855 -2.535 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.209 -2.095 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.509 -2.616 6.670 1.00 0.00 H new ATOM 148 N LEU A 13 -4.153 0.385 7.207 1.00 0.00 N ATOM 149 CA LEU A 13 -5.213 0.551 8.195 1.00 0.00 C ATOM 150 C LEU A 13 -6.169 -0.638 8.173 1.00 0.00 C ATOM 151 O LEU A 13 -6.624 -1.101 9.220 1.00 0.00 O ATOM 152 CB LEU A 13 -5.985 1.845 7.931 1.00 0.00 C ATOM 153 CG LEU A 13 -5.138 3.085 7.642 1.00 0.00 C ATOM 154 CD1 LEU A 13 -6.006 4.212 7.106 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.398 3.529 8.895 1.00 0.00 C ATOM 0 H LEU A 13 -4.188 1.051 6.435 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.752 0.605 9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.652 1.680 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.613 2.053 8.797 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.401 2.828 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.386 5.086 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.489 3.892 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.766 4.468 7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.800 4.413 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.118 3.767 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.745 2.726 9.235 1.00 0.00 H new ATOM 167 N TYR A 14 -6.468 -1.128 6.976 1.00 0.00 N ATOM 168 CA TYR A 14 -7.370 -2.263 6.818 1.00 0.00 C ATOM 169 C TYR A 14 -6.776 -3.303 5.872 1.00 0.00 C ATOM 170 O TYR A 14 -6.048 -2.966 4.938 1.00 0.00 O ATOM 171 CB TYR A 14 -8.726 -1.794 6.290 1.00 0.00 C ATOM 172 CG TYR A 14 -9.194 -0.490 6.897 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.837 0.729 6.334 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.993 -0.477 8.033 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.261 1.922 6.885 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.423 0.712 8.591 1.00 0.00 C ATOM 177 CZ TYR A 14 -10.054 1.908 8.013 1.00 0.00 C ATOM 178 OH TYR A 14 -10.480 3.095 8.565 1.00 0.00 O ATOM 0 H TYR A 14 -6.099 -0.757 6.100 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.508 -2.724 7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.665 -1.680 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.470 -2.565 6.488 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.217 0.744 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.283 -1.412 8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.973 2.861 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.044 0.704 9.474 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.031 2.910 9.354 1.00 0.00 H new ATOM 188 N ASP A 15 -7.093 -4.569 6.122 1.00 0.00 N ATOM 189 CA ASP A 15 -6.593 -5.660 5.293 1.00 0.00 C ATOM 190 C ASP A 15 -7.326 -5.706 3.956 1.00 0.00 C ATOM 191 O ASP A 15 -8.502 -5.356 3.869 1.00 0.00 O ATOM 192 CB ASP A 15 -6.751 -6.995 6.021 1.00 0.00 C ATOM 193 CG ASP A 15 -8.114 -7.145 6.666 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.117 -7.223 5.925 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.179 -7.186 7.913 1.00 0.00 O ATOM 0 H ASP A 15 -7.694 -4.865 6.892 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.535 -5.483 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.594 -7.811 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.979 -7.082 6.786 1.00 0.00 H new ATOM 200 N ASN A 16 -6.621 -6.138 2.915 1.00 0.00 N ATOM 201 CA ASN A 16 -7.204 -6.228 1.581 1.00 0.00 C ATOM 202 C ASN A 16 -7.209 -7.671 1.086 1.00 0.00 C ATOM 203 O ASN A 16 -6.215 -8.386 1.218 1.00 0.00 O ATOM 204 CB ASN A 16 -6.430 -5.343 0.603 1.00 0.00 C ATOM 205 CG ASN A 16 -6.832 -5.586 -0.839 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.991 -5.882 -1.131 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.873 -5.462 -1.750 1.00 0.00 N ATOM 0 H ASN A 16 -5.646 -6.431 2.970 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.235 -5.879 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.599 -4.296 0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.362 -5.529 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.084 -5.614 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.926 -5.215 -1.463 1.00 0.00 H new ATOM 214 N CYS A 17 -8.332 -8.091 0.515 1.00 0.00 N ATOM 215 CA CYS A 17 -8.466 -9.449 0.000 1.00 0.00 C ATOM 216 C CYS A 17 -8.566 -9.445 -1.522 1.00 0.00 C ATOM 217 O CYS A 17 -9.653 -9.510 -2.098 1.00 0.00 O ATOM 218 CB CYS A 17 -9.698 -10.126 0.602 1.00 0.00 C ATOM 219 SG CYS A 17 -9.490 -10.641 2.323 1.00 0.00 S ATOM 0 H CYS A 17 -9.163 -7.511 0.397 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.576 -10.010 0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.543 -9.441 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.950 -10.999 0.000 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.585 -11.201 2.744 1.00 0.00 H new ATOM 225 N PRO A 18 -7.407 -9.365 -2.192 1.00 0.00 N ATOM 226 CA PRO A 18 -7.337 -9.350 -3.656 1.00 0.00 C ATOM 227 C PRO A 18 -7.711 -10.695 -4.268 1.00 0.00 C ATOM 228 O PRO A 18 -7.771 -11.709 -3.573 1.00 0.00 O ATOM 229 CB PRO A 18 -5.869 -9.023 -3.938 1.00 0.00 C ATOM 230 CG PRO A 18 -5.137 -9.494 -2.728 1.00 0.00 C ATOM 231 CD PRO A 18 -6.074 -9.285 -1.570 1.00 0.00 C ATOM 0 HA PRO A 18 -8.037 -8.636 -4.090 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.516 -9.529 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.725 -7.954 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.862 -10.544 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.213 -8.934 -2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.942 -10.048 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.911 -8.320 -1.090 1.00 0.00 H new ATOM 239 N ASP A 19 -7.961 -10.697 -5.573 1.00 0.00 N ATOM 240 CA ASP A 19 -8.328 -11.919 -6.279 1.00 0.00 C ATOM 241 C ASP A 19 -7.386 -12.172 -7.452 1.00 0.00 C ATOM 242 O ASP A 19 -7.199 -13.313 -7.875 1.00 0.00 O ATOM 243 CB ASP A 19 -9.771 -11.831 -6.779 1.00 0.00 C ATOM 244 CG ASP A 19 -10.639 -10.959 -5.893 1.00 0.00 C ATOM 245 OD1 ASP A 19 -10.575 -9.720 -6.035 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.381 -11.515 -5.056 1.00 0.00 O ATOM 0 H ASP A 19 -7.916 -9.866 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.243 -12.752 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.777 -11.433 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.197 -12.833 -6.827 1.00 0.00 H new ATOM 251 N CYS A 20 -6.796 -11.102 -7.972 1.00 0.00 N ATOM 252 CA CYS A 20 -5.874 -11.208 -9.097 1.00 0.00 C ATOM 253 C CYS A 20 -4.480 -10.729 -8.705 1.00 0.00 C ATOM 254 O CYS A 20 -4.328 -9.700 -8.046 1.00 0.00 O ATOM 255 CB CYS A 20 -6.390 -10.394 -10.285 1.00 0.00 C ATOM 256 SG CYS A 20 -5.752 -10.940 -11.886 1.00 0.00 S ATOM 0 H CYS A 20 -6.940 -10.151 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.811 -12.257 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.479 -10.447 -10.303 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.124 -9.347 -10.138 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.247 -10.193 -12.828 1.00 0.00 H new ATOM 262 N SER A 21 -3.464 -11.484 -9.112 1.00 0.00 N ATOM 263 CA SER A 21 -2.082 -11.140 -8.798 1.00 0.00 C ATOM 264 C SER A 21 -1.863 -9.633 -8.890 1.00 0.00 C ATOM 265 O SER A 21 -1.172 -9.043 -8.060 1.00 0.00 O ATOM 266 CB SER A 21 -1.126 -11.864 -9.748 1.00 0.00 C ATOM 267 OG SER A 21 -0.975 -13.224 -9.380 1.00 0.00 O ATOM 0 H SER A 21 -3.572 -12.338 -9.660 1.00 0.00 H new ATOM 0 HA SER A 21 -1.878 -11.458 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.504 -11.800 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.154 -11.371 -9.737 1.00 0.00 H new ATOM 0 HG SER A 21 -0.361 -13.665 -10.003 1.00 0.00 H new ATOM 273 N ASP A 22 -2.457 -9.016 -9.906 1.00 0.00 N ATOM 274 CA ASP A 22 -2.329 -7.577 -10.107 1.00 0.00 C ATOM 275 C ASP A 22 -2.335 -6.839 -8.772 1.00 0.00 C ATOM 276 O ASP A 22 -1.375 -6.150 -8.429 1.00 0.00 O ATOM 277 CB ASP A 22 -3.463 -7.062 -10.994 1.00 0.00 C ATOM 278 CG ASP A 22 -3.359 -5.573 -11.260 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.223 -5.064 -11.344 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.415 -4.917 -11.384 1.00 0.00 O ATOM 0 H ASP A 22 -3.032 -9.490 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.376 -7.387 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.451 -7.599 -11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.419 -7.277 -10.518 1.00 0.00 H new ATOM 285 N GLU A 23 -3.424 -6.988 -8.024 1.00 0.00 N ATOM 286 CA GLU A 23 -3.555 -6.333 -6.728 1.00 0.00 C ATOM 287 C GLU A 23 -2.565 -6.914 -5.723 1.00 0.00 C ATOM 288 O GLU A 23 -1.774 -7.799 -6.053 1.00 0.00 O ATOM 289 CB GLU A 23 -4.983 -6.482 -6.198 1.00 0.00 C ATOM 290 CG GLU A 23 -5.930 -5.399 -6.689 1.00 0.00 C ATOM 291 CD GLU A 23 -7.385 -5.817 -6.607 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.986 -5.665 -5.523 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.923 -6.295 -7.628 1.00 0.00 O ATOM 0 H GLU A 23 -4.227 -7.556 -8.293 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.333 -5.274 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.372 -7.456 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.961 -6.467 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.781 -4.496 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.685 -5.148 -7.721 1.00 0.00 H new ATOM 300 N LEU A 24 -2.613 -6.410 -4.495 1.00 0.00 N ATOM 301 CA LEU A 24 -1.721 -6.877 -3.440 1.00 0.00 C ATOM 302 C LEU A 24 -2.514 -7.359 -2.229 1.00 0.00 C ATOM 303 O LEU A 24 -3.514 -6.751 -1.848 1.00 0.00 O ATOM 304 CB LEU A 24 -0.761 -5.761 -3.024 1.00 0.00 C ATOM 305 CG LEU A 24 0.608 -6.209 -2.510 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.644 -5.119 -2.733 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.528 -6.579 -1.036 1.00 0.00 C ATOM 0 H LEU A 24 -3.261 -5.677 -4.205 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.145 -7.716 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.608 -5.103 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.242 -5.167 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 24 0.915 -7.093 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.612 -5.455 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.720 -4.902 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.344 -4.217 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.511 -6.896 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.200 -5.713 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.184 -7.394 -0.903 1.00 0.00 H new ATOM 319 N ALA A 25 -2.059 -8.453 -1.627 1.00 0.00 N ATOM 320 CA ALA A 25 -2.723 -9.013 -0.457 1.00 0.00 C ATOM 321 C ALA A 25 -1.943 -8.705 0.817 1.00 0.00 C ATOM 322 O ALA A 25 -0.927 -9.338 1.103 1.00 0.00 O ATOM 323 CB ALA A 25 -2.901 -10.515 -0.619 1.00 0.00 C ATOM 0 H ALA A 25 -1.233 -8.969 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.706 -8.549 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.398 -10.920 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.507 -10.716 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.925 -10.987 -0.734 1.00 0.00 H new ATOM 329 N PHE A 26 -2.425 -7.729 1.579 1.00 0.00 N ATOM 330 CA PHE A 26 -1.772 -7.336 2.822 1.00 0.00 C ATOM 331 C PHE A 26 -2.779 -7.262 3.966 1.00 0.00 C ATOM 332 O PHE A 26 -3.982 -7.134 3.741 1.00 0.00 O ATOM 333 CB PHE A 26 -1.076 -5.984 2.652 1.00 0.00 C ATOM 334 CG PHE A 26 -2.005 -4.879 2.239 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.708 -4.156 3.188 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.176 -4.565 0.900 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.564 -3.138 2.811 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.030 -3.548 0.517 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.726 -2.834 1.474 1.00 0.00 C ATOM 0 H PHE A 26 -3.266 -7.196 1.357 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.026 -8.093 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.595 -5.711 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.287 -6.082 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.586 -4.390 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.636 -5.121 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.105 -2.581 3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.153 -3.311 -0.530 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.395 -2.040 1.177 1.00 0.00 H new ATOM 349 N SER A 27 -2.278 -7.344 5.194 1.00 0.00 N ATOM 350 CA SER A 27 -3.133 -7.291 6.374 1.00 0.00 C ATOM 351 C SER A 27 -2.897 -6.004 7.159 1.00 0.00 C ATOM 352 O SER A 27 -1.857 -5.360 7.017 1.00 0.00 O ATOM 353 CB SER A 27 -2.875 -8.503 7.272 1.00 0.00 C ATOM 354 OG SER A 27 -4.014 -8.806 8.058 1.00 0.00 O ATOM 0 H SER A 27 -1.284 -7.447 5.398 1.00 0.00 H new ATOM 0 HA SER A 27 -4.171 -7.308 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.613 -9.365 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.023 -8.303 7.922 1.00 0.00 H new ATOM 0 HG SER A 27 -3.825 -9.585 8.622 1.00 0.00 H new ATOM 360 N ARG A 28 -3.870 -5.636 7.986 1.00 0.00 N ATOM 361 CA ARG A 28 -3.770 -4.425 8.792 1.00 0.00 C ATOM 362 C ARG A 28 -2.515 -4.453 9.661 1.00 0.00 C ATOM 363 O ARG A 28 -2.111 -5.506 10.152 1.00 0.00 O ATOM 364 CB ARG A 28 -5.010 -4.271 9.674 1.00 0.00 C ATOM 365 CG ARG A 28 -4.838 -3.259 10.795 1.00 0.00 C ATOM 366 CD ARG A 28 -4.217 -3.894 12.029 1.00 0.00 C ATOM 367 NE ARG A 28 -4.456 -3.102 13.232 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.089 -3.485 14.450 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.467 -4.643 14.624 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.342 -2.709 15.496 1.00 0.00 N ATOM 0 H ARG A 28 -4.736 -6.159 8.116 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.705 -3.572 8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.853 -3.971 9.052 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.261 -5.240 10.106 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.209 -2.438 10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.807 -2.832 11.053 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.627 -4.895 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.144 -4.007 11.877 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.931 -2.205 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.270 -5.241 13.822 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.186 -4.935 15.560 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.819 -1.817 15.366 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.060 -3.005 16.430 1.00 0.00 H new ATOM 384 N GLY A 29 -1.903 -3.287 9.845 1.00 0.00 N ATOM 385 CA GLY A 29 -0.701 -3.199 10.653 1.00 0.00 C ATOM 386 C GLY A 29 0.521 -3.735 9.934 1.00 0.00 C ATOM 387 O GLY A 29 1.431 -4.277 10.561 1.00 0.00 O ATOM 0 H GLY A 29 -2.218 -2.402 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.529 -2.159 10.930 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.847 -3.756 11.579 1.00 0.00 H new ATOM 391 N ASP A 30 0.542 -3.585 8.614 1.00 0.00 N ATOM 392 CA ASP A 30 1.662 -4.059 7.808 1.00 0.00 C ATOM 393 C ASP A 30 2.281 -2.915 7.012 1.00 0.00 C ATOM 394 O ASP A 30 1.570 -2.083 6.447 1.00 0.00 O ATOM 395 CB ASP A 30 1.202 -5.167 6.859 1.00 0.00 C ATOM 396 CG ASP A 30 0.935 -6.474 7.581 1.00 0.00 C ATOM 397 OD1 ASP A 30 1.578 -6.718 8.624 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.083 -7.252 7.103 1.00 0.00 O ATOM 0 H ASP A 30 -0.203 -3.139 8.079 1.00 0.00 H new ATOM 0 HA ASP A 30 2.419 -4.460 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.296 -4.848 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.963 -5.326 6.095 1.00 0.00 H new ATOM 403 N ILE A 31 3.609 -2.879 6.972 1.00 0.00 N ATOM 404 CA ILE A 31 4.323 -1.837 6.245 1.00 0.00 C ATOM 405 C ILE A 31 4.501 -2.213 4.778 1.00 0.00 C ATOM 406 O ILE A 31 5.139 -3.216 4.456 1.00 0.00 O ATOM 407 CB ILE A 31 5.706 -1.565 6.865 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.556 -1.068 8.305 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.473 -0.553 6.027 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.563 0.064 8.452 1.00 0.00 C ATOM 0 H ILE A 31 4.212 -3.559 7.435 1.00 0.00 H new ATOM 0 HA ILE A 31 3.718 -0.933 6.315 1.00 0.00 H new ATOM 0 HB ILE A 31 6.270 -2.498 6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.244 -1.899 8.937 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.528 -0.738 8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.448 -0.371 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.607 -0.943 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.914 0.382 5.983 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.508 0.366 9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.885 0.911 7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.580 -0.268 8.118 1.00 0.00 H new ATOM 422 N LEU A 32 3.934 -1.402 3.893 1.00 0.00 N ATOM 423 CA LEU A 32 4.031 -1.648 2.458 1.00 0.00 C ATOM 424 C LEU A 32 4.975 -0.648 1.797 1.00 0.00 C ATOM 425 O LEU A 32 4.892 0.556 2.040 1.00 0.00 O ATOM 426 CB LEU A 32 2.647 -1.564 1.811 1.00 0.00 C ATOM 427 CG LEU A 32 1.803 -2.838 1.865 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.526 -3.986 1.177 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.474 -3.200 3.305 1.00 0.00 C ATOM 0 H LEU A 32 3.402 -0.568 4.143 1.00 0.00 H new ATOM 0 HA LEU A 32 4.433 -2.651 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.090 -0.762 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.773 -1.279 0.766 1.00 0.00 H new ATOM 0 HG LEU A 32 0.868 -2.654 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.911 -4.884 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.710 -3.727 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.476 -4.170 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.873 -4.109 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.398 -3.365 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.915 -2.386 3.766 1.00 0.00 H new ATOM 441 N THR A 33 5.872 -1.156 0.957 1.00 0.00 N ATOM 442 CA THR A 33 6.831 -0.308 0.259 1.00 0.00 C ATOM 443 C THR A 33 6.294 0.126 -1.100 1.00 0.00 C ATOM 444 O THR A 33 6.362 -0.626 -2.073 1.00 0.00 O ATOM 445 CB THR A 33 8.177 -1.030 0.060 1.00 0.00 C ATOM 446 OG1 THR A 33 8.725 -1.402 1.330 1.00 0.00 O ATOM 447 CG2 THR A 33 9.163 -0.140 -0.683 1.00 0.00 C ATOM 0 H THR A 33 5.954 -2.150 0.744 1.00 0.00 H new ATOM 0 HA THR A 33 6.988 0.572 0.882 1.00 0.00 H new ATOM 0 HB THR A 33 8.000 -1.926 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.580 -1.862 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.106 -0.671 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.755 0.118 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.335 0.771 -0.109 1.00 0.00 H new ATOM 455 N ILE A 34 5.762 1.342 -1.160 1.00 0.00 N ATOM 456 CA ILE A 34 5.216 1.876 -2.401 1.00 0.00 C ATOM 457 C ILE A 34 6.301 2.020 -3.463 1.00 0.00 C ATOM 458 O ILE A 34 7.031 3.012 -3.489 1.00 0.00 O ATOM 459 CB ILE A 34 4.546 3.245 -2.179 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.433 3.129 -1.135 1.00 0.00 C ATOM 461 CG2 ILE A 34 3.995 3.784 -3.490 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.951 4.465 -0.616 1.00 0.00 C ATOM 0 H ILE A 34 5.698 1.976 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 34 4.465 1.165 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 34 5.296 3.944 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.591 2.592 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.792 2.531 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.525 4.752 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.808 3.899 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.257 3.088 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.163 4.307 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.781 4.995 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.561 5.058 -1.444 1.00 0.00 H new ATOM 474 N LEU A 35 6.402 1.025 -4.337 1.00 0.00 N ATOM 475 CA LEU A 35 7.397 1.041 -5.404 1.00 0.00 C ATOM 476 C LEU A 35 7.207 2.255 -6.308 1.00 0.00 C ATOM 477 O LEU A 35 8.137 3.029 -6.528 1.00 0.00 O ATOM 478 CB LEU A 35 7.310 -0.243 -6.229 1.00 0.00 C ATOM 479 CG LEU A 35 7.392 -1.553 -5.443 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.710 -2.677 -6.207 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.842 -1.908 -5.149 1.00 0.00 C ATOM 0 H LEU A 35 5.807 0.197 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 35 8.384 1.104 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.371 -0.233 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.114 -0.233 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 35 6.872 -1.419 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.778 -3.601 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.661 -2.425 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.201 -2.812 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.882 -2.843 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.386 -2.023 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.299 -1.113 -4.560 1.00 0.00 H new ATOM 493 N GLU A 36 5.993 2.414 -6.828 1.00 0.00 N ATOM 494 CA GLU A 36 5.681 3.534 -7.708 1.00 0.00 C ATOM 495 C GLU A 36 4.297 4.098 -7.400 1.00 0.00 C ATOM 496 O GLU A 36 3.336 3.349 -7.223 1.00 0.00 O ATOM 497 CB GLU A 36 5.752 3.096 -9.172 1.00 0.00 C ATOM 498 CG GLU A 36 4.735 2.028 -9.538 1.00 0.00 C ATOM 499 CD GLU A 36 5.213 1.129 -10.662 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.050 1.513 -11.839 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.749 0.041 -10.364 1.00 0.00 O ATOM 0 H GLU A 36 5.211 1.782 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 36 6.420 4.316 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.598 3.966 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.753 2.719 -9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.519 1.421 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.801 2.507 -9.833 1.00 0.00 H new ATOM 508 N GLN A 37 4.204 5.422 -7.339 1.00 0.00 N ATOM 509 CA GLN A 37 2.938 6.086 -7.051 1.00 0.00 C ATOM 510 C GLN A 37 2.130 6.293 -8.328 1.00 0.00 C ATOM 511 O GLN A 37 0.909 6.133 -8.335 1.00 0.00 O ATOM 512 CB GLN A 37 3.187 7.432 -6.368 1.00 0.00 C ATOM 513 CG GLN A 37 3.903 7.312 -5.032 1.00 0.00 C ATOM 514 CD GLN A 37 4.036 8.644 -4.319 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.266 9.677 -4.948 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.891 8.626 -3.000 1.00 0.00 N ATOM 0 H GLN A 37 4.990 6.056 -7.485 1.00 0.00 H new ATOM 0 HA GLN A 37 2.366 5.446 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.777 8.063 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.232 7.935 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.359 6.615 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.895 6.889 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.701 7.746 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.969 9.492 -2.466 1.00 0.00 H new ATOM 525 N HIS A 38 2.819 6.651 -9.407 1.00 0.00 N ATOM 526 CA HIS A 38 2.165 6.880 -10.691 1.00 0.00 C ATOM 527 C HIS A 38 1.688 5.565 -11.300 1.00 0.00 C ATOM 528 O HIS A 38 2.474 4.818 -11.884 1.00 0.00 O ATOM 529 CB HIS A 38 3.119 7.586 -11.655 1.00 0.00 C ATOM 530 CG HIS A 38 2.420 8.349 -12.737 1.00 0.00 C ATOM 531 ND1 HIS A 38 1.899 9.612 -12.552 1.00 0.00 N ATOM 532 CD2 HIS A 38 2.159 8.021 -14.025 1.00 0.00 C ATOM 533 CE1 HIS A 38 1.346 10.028 -13.678 1.00 0.00 C ATOM 534 NE2 HIS A 38 1.491 9.081 -14.587 1.00 0.00 N ATOM 0 H HIS A 38 3.830 6.789 -9.418 1.00 0.00 H new ATOM 0 HA HIS A 38 1.297 7.517 -10.520 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.753 8.270 -11.090 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.776 6.845 -12.110 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.426 7.098 -14.518 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.859 10.980 -13.829 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.160 9.129 -15.551 1.00 0.00 H new ATOM 543 N VAL A 39 0.396 5.287 -11.159 1.00 0.00 N ATOM 544 CA VAL A 39 -0.186 4.062 -11.695 1.00 0.00 C ATOM 545 C VAL A 39 -1.393 4.366 -12.574 1.00 0.00 C ATOM 546 O VAL A 39 -2.523 4.484 -12.101 1.00 0.00 O ATOM 547 CB VAL A 39 -0.614 3.103 -10.568 1.00 0.00 C ATOM 548 CG1 VAL A 39 -1.209 1.829 -11.148 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.567 2.786 -9.662 1.00 0.00 C ATOM 0 H VAL A 39 -0.268 5.894 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 39 0.586 3.582 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.381 3.593 -9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.505 1.164 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.082 2.077 -11.751 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.466 1.332 -11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.247 2.107 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.358 2.315 -10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.943 3.708 -9.219 1.00 0.00 H new ATOM 559 N PRO A 40 -1.151 4.496 -13.887 1.00 0.00 N ATOM 560 CA PRO A 40 -2.207 4.788 -14.862 1.00 0.00 C ATOM 561 C PRO A 40 -3.159 3.612 -15.054 1.00 0.00 C ATOM 562 O PRO A 40 -4.369 3.796 -15.177 1.00 0.00 O ATOM 563 CB PRO A 40 -1.432 5.065 -16.152 1.00 0.00 C ATOM 564 CG PRO A 40 -0.149 4.325 -15.990 1.00 0.00 C ATOM 565 CD PRO A 40 0.172 4.369 -14.522 1.00 0.00 C ATOM 0 HA PRO A 40 -2.839 5.616 -14.543 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.982 4.717 -17.027 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.259 6.132 -16.288 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.245 3.296 -16.338 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.645 4.787 -16.577 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.689 3.466 -14.196 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.818 5.212 -14.277 1.00 0.00 H new ATOM 573 N GLU A 41 -2.603 2.404 -15.078 1.00 0.00 N ATOM 574 CA GLU A 41 -3.404 1.199 -15.256 1.00 0.00 C ATOM 575 C GLU A 41 -4.509 1.120 -14.206 1.00 0.00 C ATOM 576 O GLU A 41 -5.496 0.406 -14.381 1.00 0.00 O ATOM 577 CB GLU A 41 -2.518 -0.046 -15.174 1.00 0.00 C ATOM 578 CG GLU A 41 -1.674 -0.110 -13.913 1.00 0.00 C ATOM 579 CD GLU A 41 -1.197 -1.515 -13.600 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.786 -2.475 -14.139 1.00 0.00 O ATOM 581 OE2 GLU A 41 -0.234 -1.654 -12.817 1.00 0.00 O ATOM 0 H GLU A 41 -1.602 2.235 -14.976 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.866 1.243 -16.242 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.148 -0.934 -15.225 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.860 -0.072 -16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.811 0.546 -14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.255 0.268 -13.072 1.00 0.00 H new ATOM 588 N SER A 42 -4.334 1.859 -13.115 1.00 0.00 N ATOM 589 CA SER A 42 -5.313 1.870 -12.034 1.00 0.00 C ATOM 590 C SER A 42 -5.366 3.239 -11.363 1.00 0.00 C ATOM 591 O SER A 42 -4.408 3.662 -10.716 1.00 0.00 O ATOM 592 CB SER A 42 -4.975 0.795 -11.000 1.00 0.00 C ATOM 593 OG SER A 42 -5.603 -0.435 -11.318 1.00 0.00 O ATOM 0 H SER A 42 -3.524 2.458 -12.956 1.00 0.00 H new ATOM 0 HA SER A 42 -6.292 1.656 -12.462 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.895 0.655 -10.957 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.294 1.124 -10.011 1.00 0.00 H new ATOM 0 HG SER A 42 -5.745 -0.489 -12.286 1.00 0.00 H new ATOM 599 N GLU A 43 -6.492 3.927 -11.523 1.00 0.00 N ATOM 600 CA GLU A 43 -6.670 5.248 -10.933 1.00 0.00 C ATOM 601 C GLU A 43 -6.963 5.143 -9.439 1.00 0.00 C ATOM 602 O GLU A 43 -8.101 4.911 -9.034 1.00 0.00 O ATOM 603 CB GLU A 43 -7.805 5.996 -11.635 1.00 0.00 C ATOM 604 CG GLU A 43 -7.361 6.751 -12.877 1.00 0.00 C ATOM 605 CD GLU A 43 -8.460 6.863 -13.916 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.133 5.845 -14.180 1.00 0.00 O ATOM 607 OE2 GLU A 43 -8.646 7.969 -14.465 1.00 0.00 O ATOM 0 H GLU A 43 -7.294 3.591 -12.056 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.742 5.804 -11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.582 5.283 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.253 6.700 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.032 7.750 -12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.501 6.246 -13.316 1.00 0.00 H new ATOM 614 N GLY A 44 -5.926 5.314 -8.625 1.00 0.00 N ATOM 615 CA GLY A 44 -6.091 5.234 -7.186 1.00 0.00 C ATOM 616 C GLY A 44 -5.517 3.956 -6.606 1.00 0.00 C ATOM 617 O GLY A 44 -6.105 3.355 -5.708 1.00 0.00 O ATOM 0 H GLY A 44 -4.974 5.507 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.605 6.091 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.151 5.296 -6.941 1.00 0.00 H new ATOM 621 N TRP A 45 -4.366 3.540 -7.122 1.00 0.00 N ATOM 622 CA TRP A 45 -3.713 2.324 -6.651 1.00 0.00 C ATOM 623 C TRP A 45 -2.200 2.505 -6.597 1.00 0.00 C ATOM 624 O TRP A 45 -1.627 3.255 -7.387 1.00 0.00 O ATOM 625 CB TRP A 45 -4.065 1.146 -7.561 1.00 0.00 C ATOM 626 CG TRP A 45 -5.486 0.690 -7.418 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.589 1.253 -7.992 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.956 -0.424 -6.650 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.717 0.557 -7.627 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.355 -0.476 -6.805 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.330 -1.382 -5.848 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.136 -1.449 -6.186 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.107 -2.347 -5.234 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.497 -2.375 -5.407 1.00 0.00 C ATOM 0 H TRP A 45 -3.866 4.026 -7.866 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.072 2.116 -5.643 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.885 1.430 -8.598 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.399 0.312 -7.338 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.577 2.118 -8.638 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.669 0.775 -7.921 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.259 -1.369 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.208 -1.472 -6.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.634 -3.092 -4.611 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.076 -3.143 -4.916 1.00 0.00 H new ATOM 645 N TRP A 46 -1.559 1.814 -5.661 1.00 0.00 N ATOM 646 CA TRP A 46 -0.112 1.899 -5.504 1.00 0.00 C ATOM 647 C TRP A 46 0.527 0.517 -5.583 1.00 0.00 C ATOM 648 O TRP A 46 0.032 -0.442 -4.989 1.00 0.00 O ATOM 649 CB TRP A 46 0.240 2.561 -4.171 1.00 0.00 C ATOM 650 CG TRP A 46 -0.034 4.035 -4.150 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.017 4.887 -5.217 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.363 4.829 -3.005 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.315 6.163 -4.804 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.533 6.154 -3.451 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.533 4.549 -1.646 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.863 7.194 -2.587 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -0.860 5.583 -0.789 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.023 6.892 -1.262 1.00 0.00 C ATOM 0 H TRP A 46 -2.019 1.189 -4.999 1.00 0.00 H new ATOM 0 HA TRP A 46 0.281 2.508 -6.319 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.328 2.082 -3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.295 2.392 -3.957 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.199 4.600 -6.236 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.366 6.984 -5.407 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.411 3.543 -1.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -0.988 8.204 -2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.992 5.379 0.263 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.280 7.678 -0.567 1.00 0.00 H new ATOM 669 N LYS A 47 1.628 0.419 -6.320 1.00 0.00 N ATOM 670 CA LYS A 47 2.336 -0.846 -6.475 1.00 0.00 C ATOM 671 C LYS A 47 3.346 -1.046 -5.350 1.00 0.00 C ATOM 672 O LYS A 47 4.469 -0.545 -5.416 1.00 0.00 O ATOM 673 CB LYS A 47 3.048 -0.893 -7.829 1.00 0.00 C ATOM 674 CG LYS A 47 3.314 -2.302 -8.328 1.00 0.00 C ATOM 675 CD LYS A 47 2.144 -2.838 -9.137 1.00 0.00 C ATOM 676 CE LYS A 47 2.126 -2.258 -10.543 1.00 0.00 C ATOM 677 NZ LYS A 47 3.364 -2.597 -11.298 1.00 0.00 N ATOM 0 H LYS A 47 2.050 1.202 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 47 1.603 -1.652 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.444 -0.364 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.995 -0.360 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.215 -2.307 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.502 -2.960 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.206 -3.925 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.209 -2.597 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.257 -2.637 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.019 -1.175 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.169 -2.559 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.112 -1.914 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.676 -3.555 -11.040 1.00 0.00 H new ATOM 691 N CYS A 48 2.941 -1.782 -4.321 1.00 0.00 N ATOM 692 CA CYS A 48 3.812 -2.049 -3.182 1.00 0.00 C ATOM 693 C CYS A 48 4.351 -3.474 -3.232 1.00 0.00 C ATOM 694 O CYS A 48 3.887 -4.298 -4.022 1.00 0.00 O ATOM 695 CB CYS A 48 3.057 -1.822 -1.872 1.00 0.00 C ATOM 696 SG CYS A 48 2.526 -0.113 -1.612 1.00 0.00 S ATOM 0 H CYS A 48 2.015 -2.204 -4.252 1.00 0.00 H new ATOM 0 HA CYS A 48 4.655 -1.359 -3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.181 -2.470 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.694 -2.123 -1.041 1.00 0.00 H new ATOM 0 HG CYS A 48 2.490 0.509 -2.753 1.00 0.00 H new ATOM 702 N LEU A 49 5.335 -3.759 -2.386 1.00 0.00 N ATOM 703 CA LEU A 49 5.939 -5.086 -2.334 1.00 0.00 C ATOM 704 C LEU A 49 5.825 -5.683 -0.935 1.00 0.00 C ATOM 705 O LEU A 49 6.215 -5.057 0.052 1.00 0.00 O ATOM 706 CB LEU A 49 7.409 -5.015 -2.752 1.00 0.00 C ATOM 707 CG LEU A 49 8.164 -6.344 -2.779 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.408 -6.849 -1.366 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.397 -7.377 -3.592 1.00 0.00 C ATOM 0 H LEU A 49 5.732 -3.089 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 49 5.400 -5.731 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.462 -4.570 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.927 -4.339 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 49 9.131 -6.181 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.946 -7.796 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.000 -6.118 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.453 -6.996 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.949 -8.317 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.416 -7.537 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.276 -7.018 -4.614 1.00 0.00 H new ATOM 721 N LEU A 50 5.289 -6.896 -0.857 1.00 0.00 N ATOM 722 CA LEU A 50 5.125 -7.579 0.422 1.00 0.00 C ATOM 723 C LEU A 50 5.256 -9.089 0.253 1.00 0.00 C ATOM 724 O LEU A 50 4.617 -9.685 -0.614 1.00 0.00 O ATOM 725 CB LEU A 50 3.765 -7.239 1.033 1.00 0.00 C ATOM 726 CG LEU A 50 3.515 -7.763 2.448 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.011 -6.764 3.482 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.037 -8.058 2.654 1.00 0.00 C ATOM 0 H LEU A 50 4.961 -7.427 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 50 5.913 -7.237 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.655 -6.155 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.987 -7.632 0.379 1.00 0.00 H new ATOM 0 HG LEU A 50 4.071 -8.692 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.825 -7.154 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.081 -6.603 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.483 -5.818 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.878 -8.430 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.460 -7.145 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.713 -8.811 1.936 1.00 0.00 H new ATOM 740 N HIS A 51 6.088 -9.703 1.089 1.00 0.00 N ATOM 741 CA HIS A 51 6.300 -11.145 1.035 1.00 0.00 C ATOM 742 C HIS A 51 6.333 -11.635 -0.410 1.00 0.00 C ATOM 743 O HIS A 51 5.770 -12.679 -0.735 1.00 0.00 O ATOM 744 CB HIS A 51 5.201 -11.874 1.808 1.00 0.00 C ATOM 745 CG HIS A 51 5.387 -11.835 3.293 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.283 -12.953 4.094 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.674 -10.805 4.123 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.496 -12.612 5.352 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.736 -11.314 5.397 1.00 0.00 N ATOM 0 H HIS A 51 6.626 -9.224 1.811 1.00 0.00 H new ATOM 0 HA HIS A 51 7.263 -11.363 1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.237 -11.430 1.559 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.167 -12.913 1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.826 -9.775 3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.477 -13.281 6.200 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.935 -10.777 6.241 1.00 0.00 H new ATOM 758 N GLY A 52 6.997 -10.872 -1.274 1.00 0.00 N ATOM 759 CA GLY A 52 7.090 -11.245 -2.673 1.00 0.00 C ATOM 760 C GLY A 52 5.752 -11.177 -3.381 1.00 0.00 C ATOM 761 O GLY A 52 5.375 -12.102 -4.101 1.00 0.00 O ATOM 0 H GLY A 52 7.472 -10.003 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.797 -10.585 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.488 -12.257 -2.750 1.00 0.00 H new ATOM 765 N ARG A 53 5.031 -10.079 -3.176 1.00 0.00 N ATOM 766 CA ARG A 53 3.725 -9.895 -3.799 1.00 0.00 C ATOM 767 C ARG A 53 3.850 -9.112 -5.102 1.00 0.00 C ATOM 768 O ARG A 53 3.536 -9.623 -6.177 1.00 0.00 O ATOM 769 CB ARG A 53 2.778 -9.168 -2.842 1.00 0.00 C ATOM 770 CG ARG A 53 2.209 -10.062 -1.752 1.00 0.00 C ATOM 771 CD ARG A 53 0.911 -10.719 -2.192 1.00 0.00 C ATOM 772 NE ARG A 53 1.145 -11.984 -2.884 1.00 0.00 N ATOM 773 CZ ARG A 53 1.330 -13.141 -2.257 1.00 0.00 C ATOM 774 NH1 ARG A 53 1.307 -13.192 -0.932 1.00 0.00 N ATOM 775 NH2 ARG A 53 1.537 -14.250 -2.956 1.00 0.00 N ATOM 0 H ARG A 53 5.329 -9.304 -2.584 1.00 0.00 H new ATOM 0 HA ARG A 53 3.316 -10.880 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.311 -8.338 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.956 -8.739 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.937 -10.830 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.033 -9.473 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.280 -10.894 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.366 -10.041 -2.850 1.00 0.00 H new ATOM 0 HE ARG A 53 1.168 -11.979 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.147 -12.342 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.449 -14.081 -0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.554 -14.215 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.679 -15.138 -2.474 1.00 0.00 H new ATOM 789 N GLN A 54 4.308 -7.869 -4.998 1.00 0.00 N ATOM 790 CA GLN A 54 4.472 -7.015 -6.168 1.00 0.00 C ATOM 791 C GLN A 54 3.130 -6.749 -6.841 1.00 0.00 C ATOM 792 O GLN A 54 2.968 -6.980 -8.038 1.00 0.00 O ATOM 793 CB GLN A 54 5.437 -7.659 -7.165 1.00 0.00 C ATOM 794 CG GLN A 54 6.896 -7.321 -6.905 1.00 0.00 C ATOM 795 CD GLN A 54 7.741 -7.377 -8.163 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.720 -8.367 -8.895 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.490 -6.311 -8.422 1.00 0.00 N ATOM 0 H GLN A 54 4.572 -7.431 -4.116 1.00 0.00 H new ATOM 0 HA GLN A 54 4.886 -6.063 -5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.312 -8.741 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.172 -7.339 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.962 -6.323 -6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.300 -8.016 -6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.477 -5.512 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.078 -6.291 -9.255 1.00 0.00 H new ATOM 806 N GLY A 55 2.168 -6.263 -6.061 1.00 0.00 N ATOM 807 CA GLY A 55 0.852 -5.974 -6.599 1.00 0.00 C ATOM 808 C GLY A 55 0.403 -4.557 -6.305 1.00 0.00 C ATOM 809 O GLY A 55 1.173 -3.750 -5.783 1.00 0.00 O ATOM 0 H GLY A 55 2.277 -6.065 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.861 -6.132 -7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.130 -6.675 -6.180 1.00 0.00 H new ATOM 813 N LEU A 56 -0.845 -4.251 -6.643 1.00 0.00 N ATOM 814 CA LEU A 56 -1.395 -2.920 -6.413 1.00 0.00 C ATOM 815 C LEU A 56 -2.068 -2.836 -5.047 1.00 0.00 C ATOM 816 O LEU A 56 -2.367 -3.857 -4.429 1.00 0.00 O ATOM 817 CB LEU A 56 -2.399 -2.565 -7.512 1.00 0.00 C ATOM 818 CG LEU A 56 -1.846 -2.517 -8.937 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.980 -2.497 -9.949 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.945 -1.304 -9.118 1.00 0.00 C ATOM 0 H LEU A 56 -1.495 -4.907 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.572 -2.205 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.211 -3.292 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.833 -1.593 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.252 -3.415 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.567 -2.463 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.585 -3.396 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.602 -1.618 -9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.560 -1.286 -10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.516 -0.395 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.112 -1.361 -8.417 1.00 0.00 H new ATOM 832 N ALA A 57 -2.306 -1.614 -4.584 1.00 0.00 N ATOM 833 CA ALA A 57 -2.947 -1.397 -3.293 1.00 0.00 C ATOM 834 C ALA A 57 -3.773 -0.115 -3.299 1.00 0.00 C ATOM 835 O ALA A 57 -3.394 0.894 -3.893 1.00 0.00 O ATOM 836 CB ALA A 57 -1.905 -1.351 -2.186 1.00 0.00 C ATOM 0 H ALA A 57 -2.064 -0.758 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.622 -2.232 -3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.399 -1.188 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.362 -2.295 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.207 -0.536 -2.377 1.00 0.00 H new ATOM 842 N PRO A 58 -4.931 -0.153 -2.622 1.00 0.00 N ATOM 843 CA PRO A 58 -5.834 0.998 -2.534 1.00 0.00 C ATOM 844 C PRO A 58 -5.259 2.123 -1.681 1.00 0.00 C ATOM 845 O PRO A 58 -5.254 2.043 -0.453 1.00 0.00 O ATOM 846 CB PRO A 58 -7.088 0.415 -1.877 1.00 0.00 C ATOM 847 CG PRO A 58 -6.598 -0.761 -1.104 1.00 0.00 C ATOM 848 CD PRO A 58 -5.446 -1.322 -1.890 1.00 0.00 C ATOM 0 HA PRO A 58 -6.017 1.448 -3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.569 1.144 -1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.825 0.119 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.281 -0.466 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.386 -1.504 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.687 -1.754 -1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.769 -2.111 -2.569 1.00 0.00 H new ATOM 856 N ALA A 59 -4.775 3.171 -2.340 1.00 0.00 N ATOM 857 CA ALA A 59 -4.200 4.313 -1.641 1.00 0.00 C ATOM 858 C ALA A 59 -5.184 4.890 -0.628 1.00 0.00 C ATOM 859 O ALA A 59 -4.802 5.656 0.255 1.00 0.00 O ATOM 860 CB ALA A 59 -3.777 5.383 -2.637 1.00 0.00 C ATOM 0 H ALA A 59 -4.770 3.252 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.320 3.969 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.349 6.230 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.033 4.972 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.646 5.715 -3.206 1.00 0.00 H new ATOM 866 N ASN A 60 -6.452 4.517 -0.764 1.00 0.00 N ATOM 867 CA ASN A 60 -7.491 4.998 0.139 1.00 0.00 C ATOM 868 C ASN A 60 -7.393 4.311 1.497 1.00 0.00 C ATOM 869 O ASN A 60 -7.835 4.851 2.511 1.00 0.00 O ATOM 870 CB ASN A 60 -8.875 4.758 -0.468 1.00 0.00 C ATOM 871 CG ASN A 60 -9.152 5.663 -1.652 1.00 0.00 C ATOM 872 OD1 ASN A 60 -8.352 5.749 -2.584 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.291 6.345 -1.622 1.00 0.00 N ATOM 0 H ASN A 60 -6.785 3.883 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.345 6.069 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.955 3.718 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.636 4.919 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.532 6.970 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.925 6.244 -0.830 1.00 0.00 H new ATOM 880 N ARG A 61 -6.809 3.117 1.509 1.00 0.00 N ATOM 881 CA ARG A 61 -6.653 2.355 2.743 1.00 0.00 C ATOM 882 C ARG A 61 -5.213 2.422 3.244 1.00 0.00 C ATOM 883 O ARG A 61 -4.840 1.723 4.187 1.00 0.00 O ATOM 884 CB ARG A 61 -7.061 0.898 2.522 1.00 0.00 C ATOM 885 CG ARG A 61 -8.481 0.734 2.006 1.00 0.00 C ATOM 886 CD ARG A 61 -9.058 -0.621 2.384 1.00 0.00 C ATOM 887 NE ARG A 61 -10.514 -0.586 2.490 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.286 -1.661 2.379 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.743 -2.851 2.161 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.604 -1.548 2.487 1.00 0.00 N ATOM 0 H ARG A 61 -6.436 2.656 0.679 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.303 2.796 3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.371 0.440 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.960 0.355 3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.111 1.525 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.490 0.845 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.767 -1.360 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.633 -0.943 3.335 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.963 0.314 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.730 -2.942 2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.338 -3.675 2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.025 -0.635 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.195 -2.375 2.401 1.00 0.00 H new ATOM 904 N LEU A 62 -4.409 3.266 2.607 1.00 0.00 N ATOM 905 CA LEU A 62 -3.010 3.424 2.988 1.00 0.00 C ATOM 906 C LEU A 62 -2.796 4.729 3.747 1.00 0.00 C ATOM 907 O LEU A 62 -3.521 5.702 3.543 1.00 0.00 O ATOM 908 CB LEU A 62 -2.116 3.390 1.746 1.00 0.00 C ATOM 909 CG LEU A 62 -1.750 2.002 1.220 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.135 1.158 2.325 1.00 0.00 C ATOM 911 CD2 LEU A 62 -2.975 1.312 0.638 1.00 0.00 C ATOM 0 H LEU A 62 -4.702 3.851 1.825 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.742 2.596 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.616 3.939 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.194 3.926 1.972 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.012 2.118 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.881 0.174 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.233 1.645 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.850 1.050 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.696 0.325 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.736 1.208 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.372 1.908 -0.184 1.00 0.00 H new ATOM 923 N GLN A 63 -1.796 4.741 4.622 1.00 0.00 N ATOM 924 CA GLN A 63 -1.486 5.928 5.411 1.00 0.00 C ATOM 925 C GLN A 63 -0.044 6.371 5.185 1.00 0.00 C ATOM 926 O GLN A 63 0.885 5.815 5.772 1.00 0.00 O ATOM 927 CB GLN A 63 -1.721 5.654 6.897 1.00 0.00 C ATOM 928 CG GLN A 63 -1.330 6.814 7.799 1.00 0.00 C ATOM 929 CD GLN A 63 -1.276 6.422 9.263 1.00 0.00 C ATOM 930 OE1 GLN A 63 -2.055 6.917 10.078 1.00 0.00 O ATOM 931 NE2 GLN A 63 -0.355 5.530 9.604 1.00 0.00 N ATOM 0 H GLN A 63 -1.187 3.943 4.803 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.148 6.731 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.775 5.422 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.154 4.770 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.356 7.195 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.045 7.626 7.670 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.270 5.146 8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.272 5.228 10.575 1.00 0.00 H new ATOM 940 N ILE A 64 0.135 7.373 4.331 1.00 0.00 N ATOM 941 CA ILE A 64 1.464 7.890 4.029 1.00 0.00 C ATOM 942 C ILE A 64 2.106 8.511 5.265 1.00 0.00 C ATOM 943 O ILE A 64 1.583 9.470 5.834 1.00 0.00 O ATOM 944 CB ILE A 64 1.417 8.942 2.905 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.859 8.324 1.622 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.803 9.520 2.662 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.848 7.438 0.898 1.00 0.00 C ATOM 0 H ILE A 64 -0.623 7.843 3.836 1.00 0.00 H new ATOM 0 HA ILE A 64 2.064 7.043 3.697 1.00 0.00 H new ATOM 0 HB ILE A 64 0.756 9.752 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.029 7.740 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.541 9.123 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.753 10.262 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.166 9.992 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.485 8.721 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.384 7.034 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.726 8.022 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.148 6.618 1.551 1.00 0.00 H new ATOM 959 N LEU A 65 3.244 7.960 5.674 1.00 0.00 N ATOM 960 CA LEU A 65 3.960 8.461 6.842 1.00 0.00 C ATOM 961 C LEU A 65 5.100 9.385 6.426 1.00 0.00 C ATOM 962 O LEU A 65 5.309 9.635 5.239 1.00 0.00 O ATOM 963 CB LEU A 65 4.508 7.296 7.668 1.00 0.00 C ATOM 964 CG LEU A 65 3.477 6.278 8.157 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.166 5.010 8.638 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.622 6.875 9.265 1.00 0.00 C ATOM 0 H LEU A 65 3.690 7.166 5.214 1.00 0.00 H new ATOM 0 HA LEU A 65 3.258 9.031 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.252 6.771 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.026 7.704 8.536 1.00 0.00 H new ATOM 0 HG LEU A 65 2.826 6.019 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.417 4.297 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.735 4.571 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.841 5.252 9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.894 6.137 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.259 7.163 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.100 7.754 8.888 1.00 0.00 H new