USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 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 8 GLN : amide:sc= -0.0874 K(o=-0.087,f=-1.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -5.07! (180deg=-5.8!) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.664) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -2.3! (180deg=-6.62!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0242 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -2.89 (180deg=-6.23!) USER MOD Single : A 43 SER OG : rot 63:sc= 1.06 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.21) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.992 USER MOD Single : A 57 TYR OH : rot -65:sc= 0.815 USER MOD Single : A 59 SER OG : rot 40:sc= 1.28 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -0.0563 (180deg=-0.853) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.9!) USER MOD Single : A 74 GLN : amide:sc= -1.8 K(o=-1.8,f=-8.5!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -114:sc= -0.665 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.644 K(o=-0.64,f=-1.8) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 -0.101 4.604 -13.534 1.00 0.00 N ATOM 67 CA GLN A 8 0.690 3.395 -13.728 1.00 0.00 C ATOM 68 C GLN A 8 0.733 2.561 -12.451 1.00 0.00 C ATOM 69 O GLN A 8 0.891 3.096 -11.353 1.00 0.00 O ATOM 70 CB GLN A 8 2.111 3.755 -14.164 1.00 0.00 C ATOM 71 CG GLN A 8 2.868 4.590 -13.144 1.00 0.00 C ATOM 72 CD GLN A 8 4.368 4.556 -13.359 1.00 0.00 C ATOM 73 OE1 GLN A 8 4.888 3.678 -14.048 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.073 5.514 -12.768 1.00 0.00 N ATOM 0 HA GLN A 8 0.216 2.803 -14.511 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.667 2.837 -14.354 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.066 4.301 -15.106 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.521 5.622 -13.196 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.640 4.227 -12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.601 6.222 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.087 5.542 -12.876 1.00 0.00 H new ATOM 83 N LEU A 9 0.591 1.249 -12.602 1.00 0.00 N ATOM 84 CA LEU A 9 0.614 0.341 -11.461 1.00 0.00 C ATOM 85 C LEU A 9 2.031 0.178 -10.922 1.00 0.00 C ATOM 86 O LEU A 9 2.972 -0.063 -11.680 1.00 0.00 O ATOM 87 CB LEU A 9 0.048 -1.023 -11.859 1.00 0.00 C ATOM 88 CG LEU A 9 -1.458 -1.207 -11.666 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.207 -0.844 -12.938 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.772 -2.637 -11.250 1.00 0.00 C ATOM 0 H LEU A 9 0.459 0.790 -13.503 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.006 0.770 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.284 -1.200 -12.908 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.564 -1.791 -11.283 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.787 -0.538 -10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.277 -0.981 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.008 0.197 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.874 -1.487 -13.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.848 -2.749 -11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.428 -3.325 -12.023 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.265 -2.863 -10.312 1.00 0.00 H new ATOM 102 N LEU A 10 2.178 0.311 -9.608 1.00 0.00 N ATOM 103 CA LEU A 10 3.481 0.176 -8.967 1.00 0.00 C ATOM 104 C LEU A 10 3.614 -1.180 -8.282 1.00 0.00 C ATOM 105 O LEU A 10 2.631 -1.742 -7.796 1.00 0.00 O ATOM 106 CB LEU A 10 3.687 1.297 -7.946 1.00 0.00 C ATOM 107 CG LEU A 10 2.971 2.616 -8.244 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.356 3.674 -7.222 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.292 3.090 -9.654 1.00 0.00 C ATOM 0 H LEU A 10 1.411 0.512 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 10 4.247 0.249 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.356 0.939 -6.971 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.756 1.497 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 10 1.896 2.449 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.837 4.605 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.074 3.336 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.433 3.840 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.774 4.029 -9.849 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.367 3.241 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.965 2.339 -10.374 1.00 0.00 H new ATOM 121 N THR A 11 4.836 -1.702 -8.245 1.00 0.00 N ATOM 122 CA THR A 11 5.098 -2.992 -7.619 1.00 0.00 C ATOM 123 C THR A 11 5.620 -2.817 -6.197 1.00 0.00 C ATOM 124 O THR A 11 6.720 -2.304 -5.988 1.00 0.00 O ATOM 125 CB THR A 11 6.116 -3.814 -8.431 1.00 0.00 C ATOM 126 OG1 THR A 11 5.741 -3.832 -9.812 1.00 0.00 O ATOM 127 CG2 THR A 11 6.204 -5.238 -7.905 1.00 0.00 C ATOM 0 H THR A 11 5.660 -1.251 -8.642 1.00 0.00 H new ATOM 0 HA THR A 11 4.150 -3.529 -7.591 1.00 0.00 H new ATOM 0 HB THR A 11 7.094 -3.345 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.394 -4.355 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.929 -5.799 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.519 -5.222 -6.862 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.227 -5.715 -7.982 1.00 0.00 H new ATOM 135 N LEU A 12 4.826 -3.247 -5.223 1.00 0.00 N ATOM 136 CA LEU A 12 5.209 -3.139 -3.820 1.00 0.00 C ATOM 137 C LEU A 12 5.009 -4.467 -3.097 1.00 0.00 C ATOM 138 O LEU A 12 4.260 -5.330 -3.556 1.00 0.00 O ATOM 139 CB LEU A 12 4.395 -2.043 -3.131 1.00 0.00 C ATOM 140 CG LEU A 12 4.190 -0.756 -3.931 1.00 0.00 C ATOM 141 CD1 LEU A 12 2.868 -0.102 -3.562 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.346 0.206 -3.698 1.00 0.00 C ATOM 0 H LEU A 12 3.913 -3.674 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 12 6.267 -2.879 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.416 -2.450 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.887 -1.789 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 12 4.162 -1.010 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.740 0.812 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.049 -0.788 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.865 0.139 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.184 1.116 -4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.405 0.454 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.278 -0.262 -4.014 1.00 0.00 H new ATOM 154 N LYS A 13 5.682 -4.625 -1.962 1.00 0.00 N ATOM 155 CA LYS A 13 5.576 -5.846 -1.172 1.00 0.00 C ATOM 156 C LYS A 13 4.746 -5.610 0.085 1.00 0.00 C ATOM 157 O LYS A 13 5.130 -4.829 0.956 1.00 0.00 O ATOM 158 CB LYS A 13 6.969 -6.352 -0.789 1.00 0.00 C ATOM 159 CG LYS A 13 7.885 -6.571 -1.981 1.00 0.00 C ATOM 160 CD LYS A 13 7.288 -7.557 -2.970 1.00 0.00 C ATOM 161 CE LYS A 13 7.175 -8.950 -2.370 1.00 0.00 C ATOM 162 NZ LYS A 13 5.852 -9.170 -1.724 1.00 0.00 N ATOM 0 H LYS A 13 6.307 -3.922 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 13 5.076 -6.600 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.433 -5.635 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.868 -7.289 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.068 -5.619 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.851 -6.940 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.301 -7.212 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.907 -7.595 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.326 -9.695 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.967 -9.094 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.698 -10.189 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.832 -8.689 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.101 -8.786 -2.332 1.00 0.00 H new ATOM 176 N ILE A 14 3.608 -6.291 0.174 1.00 0.00 N ATOM 177 CA ILE A 14 2.726 -6.157 1.327 1.00 0.00 C ATOM 178 C ILE A 14 3.170 -7.066 2.467 1.00 0.00 C ATOM 179 O ILE A 14 3.242 -8.285 2.312 1.00 0.00 O ATOM 180 CB ILE A 14 1.267 -6.487 0.960 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.688 -5.399 0.052 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.426 -6.637 2.219 1.00 0.00 C ATOM 183 CD1 ILE A 14 1.051 -5.573 -1.406 1.00 0.00 C ATOM 0 H ILE A 14 3.275 -6.941 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 14 2.785 -5.118 1.651 1.00 0.00 H new ATOM 0 HB ILE A 14 1.248 -7.433 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.398 -5.395 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.042 -4.426 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.603 -6.870 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.829 -7.443 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.448 -5.705 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.607 -4.767 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.135 -5.547 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.673 -6.531 -1.763 1.00 0.00 H new ATOM 195 N LYS A 15 3.465 -6.465 3.615 1.00 0.00 N ATOM 196 CA LYS A 15 3.899 -7.220 4.785 1.00 0.00 C ATOM 197 C LYS A 15 3.187 -6.731 6.042 1.00 0.00 C ATOM 198 O LYS A 15 3.437 -5.623 6.517 1.00 0.00 O ATOM 199 CB LYS A 15 5.414 -7.097 4.963 1.00 0.00 C ATOM 200 CG LYS A 15 5.920 -7.672 6.275 1.00 0.00 C ATOM 201 CD LYS A 15 7.379 -7.319 6.512 1.00 0.00 C ATOM 202 CE LYS A 15 7.939 -8.048 7.724 1.00 0.00 C ATOM 203 NZ LYS A 15 8.521 -9.368 7.357 1.00 0.00 N ATOM 0 H LYS A 15 3.411 -5.457 3.760 1.00 0.00 H new ATOM 0 HA LYS A 15 3.642 -8.267 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.911 -7.606 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.694 -6.045 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.314 -7.292 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.803 -8.756 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.965 -7.576 5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.475 -6.243 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.704 -7.432 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.147 -8.192 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.188 -9.670 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.760 -10.071 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.022 -9.286 6.449 1.00 0.00 H new ATOM 217 N CYS A 16 2.301 -7.564 6.577 1.00 0.00 N ATOM 218 CA CYS A 16 1.554 -7.217 7.780 1.00 0.00 C ATOM 219 C CYS A 16 2.482 -7.114 8.986 1.00 0.00 C ATOM 220 O CYS A 16 3.339 -7.972 9.197 1.00 0.00 O ATOM 221 CB CYS A 16 0.464 -8.256 8.047 1.00 0.00 C ATOM 222 SG CYS A 16 -0.997 -8.081 6.996 1.00 0.00 S ATOM 0 H CYS A 16 2.083 -8.485 6.196 1.00 0.00 H new ATOM 0 HA CYS A 16 1.087 -6.245 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.884 -9.252 7.904 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.158 -8.186 9.091 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.860 -9.006 7.296 1.00 0.00 H new ATOM 340 N ILE A 24 4.595 -12.715 3.092 1.00 0.00 N ATOM 341 CA ILE A 24 4.676 -11.522 2.258 1.00 0.00 C ATOM 342 C ILE A 24 3.976 -11.737 0.920 1.00 0.00 C ATOM 343 O ILE A 24 4.107 -12.795 0.302 1.00 0.00 O ATOM 344 CB ILE A 24 6.138 -11.114 2.000 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.931 -11.118 3.309 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.198 -9.743 1.343 1.00 0.00 C ATOM 347 CD1 ILE A 24 6.450 -10.090 4.309 1.00 0.00 C ATOM 0 HA ILE A 24 4.175 -10.722 2.803 1.00 0.00 H new ATOM 0 HB ILE A 24 6.587 -11.840 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.868 -12.109 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.982 -10.934 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.238 -9.469 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.665 -9.771 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.734 -9.005 1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.057 -10.149 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.539 -9.093 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.407 -10.286 4.559 1.00 0.00 H new ATOM 359 N LEU A 25 3.235 -10.728 0.477 1.00 0.00 N ATOM 360 CA LEU A 25 2.515 -10.805 -0.789 1.00 0.00 C ATOM 361 C LEU A 25 2.864 -9.623 -1.687 1.00 0.00 C ATOM 362 O LEU A 25 3.283 -8.570 -1.207 1.00 0.00 O ATOM 363 CB LEU A 25 1.007 -10.843 -0.540 1.00 0.00 C ATOM 364 CG LEU A 25 0.561 -11.471 0.781 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.814 -10.957 1.179 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.554 -12.989 0.676 1.00 0.00 C ATOM 0 H LEU A 25 3.117 -9.846 0.976 1.00 0.00 H new ATOM 0 HA LEU A 25 2.816 -11.723 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.626 -9.822 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.538 -11.391 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 25 1.273 -11.184 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.115 -11.415 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.777 -9.874 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.537 -11.213 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.234 -13.418 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.135 -13.296 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.558 -13.342 0.438 1.00 0.00 H new ATOM 378 N GLU A 26 2.686 -9.804 -2.992 1.00 0.00 N ATOM 379 CA GLU A 26 2.981 -8.750 -3.956 1.00 0.00 C ATOM 380 C GLU A 26 1.729 -8.360 -4.735 1.00 0.00 C ATOM 381 O GLU A 26 1.122 -9.189 -5.413 1.00 0.00 O ATOM 382 CB GLU A 26 4.077 -9.205 -4.923 1.00 0.00 C ATOM 383 CG GLU A 26 4.698 -8.069 -5.717 1.00 0.00 C ATOM 384 CD GLU A 26 3.941 -7.768 -6.995 1.00 0.00 C ATOM 385 OE1 GLU A 26 4.110 -8.523 -7.976 1.00 0.00 O ATOM 386 OE2 GLU A 26 3.181 -6.778 -7.016 1.00 0.00 O ATOM 0 H GLU A 26 2.339 -10.670 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 26 3.332 -7.877 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.859 -9.713 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.658 -9.935 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.729 -7.172 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.729 -8.323 -5.961 1.00 0.00 H new ATOM 393 N LYS A 27 1.347 -7.091 -4.634 1.00 0.00 N ATOM 394 CA LYS A 27 0.168 -6.589 -5.329 1.00 0.00 C ATOM 395 C LYS A 27 0.471 -5.266 -6.026 1.00 0.00 C ATOM 396 O LYS A 27 1.033 -4.352 -5.424 1.00 0.00 O ATOM 397 CB LYS A 27 -0.989 -6.406 -4.345 1.00 0.00 C ATOM 398 CG LYS A 27 -2.350 -6.720 -4.942 1.00 0.00 C ATOM 399 CD LYS A 27 -2.601 -5.921 -6.209 1.00 0.00 C ATOM 400 CE LYS A 27 -4.079 -5.896 -6.569 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.889 -5.187 -5.540 1.00 0.00 N ATOM 0 H LYS A 27 1.838 -6.391 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.118 -7.321 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.824 -7.048 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.988 -5.378 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.414 -7.785 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.128 -6.499 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.241 -4.901 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.032 -6.354 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.209 -5.407 -7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.444 -6.917 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.641 -5.818 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.277 -4.911 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.316 -4.337 -5.960 1.00 0.00 H new ATOM 415 N GLN A 28 0.092 -5.172 -7.297 1.00 0.00 N ATOM 416 CA GLN A 28 0.322 -3.961 -8.074 1.00 0.00 C ATOM 417 C GLN A 28 -0.884 -3.030 -8.003 1.00 0.00 C ATOM 418 O GLN A 28 -2.017 -3.444 -8.253 1.00 0.00 O ATOM 419 CB GLN A 28 0.623 -4.314 -9.532 1.00 0.00 C ATOM 420 CG GLN A 28 1.956 -5.020 -9.724 1.00 0.00 C ATOM 421 CD GLN A 28 2.233 -5.358 -11.176 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.949 -6.465 -11.633 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.791 -4.402 -11.910 1.00 0.00 N ATOM 0 H GLN A 28 -0.375 -5.920 -7.809 1.00 0.00 H new ATOM 0 HA GLN A 28 1.182 -3.445 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.174 -4.951 -9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.616 -3.401 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.757 -4.386 -9.343 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.966 -5.936 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.010 -3.499 -11.490 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.001 -4.571 -12.894 1.00 0.00 H new ATOM 432 N LEU A 29 -0.634 -1.771 -7.660 1.00 0.00 N ATOM 433 CA LEU A 29 -1.700 -0.781 -7.555 1.00 0.00 C ATOM 434 C LEU A 29 -1.338 0.492 -8.314 1.00 0.00 C ATOM 435 O LEU A 29 -0.190 0.936 -8.318 1.00 0.00 O ATOM 436 CB LEU A 29 -1.975 -0.452 -6.087 1.00 0.00 C ATOM 437 CG LEU A 29 -2.521 -1.597 -5.233 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.640 -2.321 -5.964 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.406 -2.567 -4.866 1.00 0.00 C ATOM 0 H LEU A 29 0.297 -1.412 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.600 -1.204 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.048 -0.098 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.685 0.374 -6.047 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.928 -1.177 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.016 -3.133 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.449 -1.621 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.259 -2.729 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.812 -3.375 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.970 -2.981 -5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.637 -2.040 -4.301 1.00 0.00 H new ATOM 451 N PRO A 30 -2.340 1.095 -8.971 1.00 0.00 N ATOM 452 CA PRO A 30 -2.152 2.327 -9.743 1.00 0.00 C ATOM 453 C PRO A 30 -1.879 3.533 -8.852 1.00 0.00 C ATOM 454 O PRO A 30 -2.631 3.811 -7.918 1.00 0.00 O ATOM 455 CB PRO A 30 -3.486 2.494 -10.475 1.00 0.00 C ATOM 456 CG PRO A 30 -4.476 1.774 -9.626 1.00 0.00 C ATOM 457 CD PRO A 30 -3.734 0.621 -9.009 1.00 0.00 C ATOM 0 HA PRO A 30 -1.290 2.264 -10.408 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.749 3.546 -10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.443 2.071 -11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.882 2.432 -8.858 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.318 1.422 -10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.108 0.390 -8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.834 -0.286 -9.605 1.00 0.00 H new ATOM 465 N ASP A 31 -0.798 4.248 -9.147 1.00 0.00 N ATOM 466 CA ASP A 31 -0.426 5.427 -8.373 1.00 0.00 C ATOM 467 C ASP A 31 -1.639 6.318 -8.124 1.00 0.00 C ATOM 468 O ASP A 31 -1.677 7.075 -7.154 1.00 0.00 O ATOM 469 CB ASP A 31 0.663 6.217 -9.099 1.00 0.00 C ATOM 470 CG ASP A 31 0.268 6.579 -10.517 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.052 5.654 -11.327 1.00 0.00 O ATOM 472 OD2 ASP A 31 0.177 7.788 -10.817 1.00 0.00 O ATOM 0 H ASP A 31 -0.164 4.032 -9.916 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.040 5.093 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.880 7.128 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.581 5.630 -9.119 1.00 0.00 H new ATOM 477 N SER A 32 -2.627 6.224 -9.008 1.00 0.00 N ATOM 478 CA SER A 32 -3.840 7.026 -8.888 1.00 0.00 C ATOM 479 C SER A 32 -4.650 6.605 -7.666 1.00 0.00 C ATOM 480 O SER A 32 -5.230 7.442 -6.974 1.00 0.00 O ATOM 481 CB SER A 32 -4.693 6.891 -10.151 1.00 0.00 C ATOM 482 OG SER A 32 -5.973 7.469 -9.965 1.00 0.00 O ATOM 0 H SER A 32 -2.612 5.601 -9.815 1.00 0.00 H new ATOM 0 HA SER A 32 -3.547 8.069 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.189 7.376 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.800 5.838 -10.411 1.00 0.00 H new ATOM 0 HG SER A 32 -6.499 7.371 -10.786 1.00 0.00 H new ATOM 488 N MET A 33 -4.685 5.302 -7.407 1.00 0.00 N ATOM 489 CA MET A 33 -5.423 4.769 -6.267 1.00 0.00 C ATOM 490 C MET A 33 -5.228 5.646 -5.035 1.00 0.00 C ATOM 491 O MET A 33 -4.119 5.760 -4.510 1.00 0.00 O ATOM 492 CB MET A 33 -4.975 3.338 -5.966 1.00 0.00 C ATOM 493 CG MET A 33 -5.948 2.568 -5.089 1.00 0.00 C ATOM 494 SD MET A 33 -5.389 0.890 -4.737 1.00 0.00 S ATOM 495 CE MET A 33 -6.855 -0.050 -5.153 1.00 0.00 C ATOM 0 H MET A 33 -4.211 4.596 -7.970 1.00 0.00 H new ATOM 0 HA MET A 33 -6.483 4.763 -6.522 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.844 2.802 -6.906 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.002 3.366 -5.476 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.088 3.104 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.920 2.527 -5.581 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.666 -1.111 -4.987 1.00 0.00 H new ATOM 0 HE2 MET A 33 -7.685 0.273 -4.525 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.107 0.114 -6.201 1.00 0.00 H new ATOM 505 N THR A 34 -6.311 6.265 -4.576 1.00 0.00 N ATOM 506 CA THR A 34 -6.258 7.133 -3.406 1.00 0.00 C ATOM 507 C THR A 34 -5.989 6.331 -2.139 1.00 0.00 C ATOM 508 O THR A 34 -6.624 5.305 -1.894 1.00 0.00 O ATOM 509 CB THR A 34 -7.570 7.922 -3.232 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.681 7.020 -3.181 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.763 8.908 -4.374 1.00 0.00 C ATOM 0 H THR A 34 -7.236 6.181 -4.997 1.00 0.00 H new ATOM 0 HA THR A 34 -5.440 7.834 -3.569 1.00 0.00 H new ATOM 0 HB THR A 34 -7.512 8.479 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.511 7.529 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.696 9.454 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.930 9.611 -4.392 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.802 8.367 -5.319 1.00 0.00 H new ATOM 519 N VAL A 35 -5.043 6.805 -1.333 1.00 0.00 N ATOM 520 CA VAL A 35 -4.691 6.132 -0.089 1.00 0.00 C ATOM 521 C VAL A 35 -5.917 5.499 0.560 1.00 0.00 C ATOM 522 O VAL A 35 -5.825 4.440 1.181 1.00 0.00 O ATOM 523 CB VAL A 35 -4.041 7.107 0.911 1.00 0.00 C ATOM 524 CG1 VAL A 35 -4.091 6.538 2.321 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.608 7.413 0.502 1.00 0.00 C ATOM 0 H VAL A 35 -4.507 7.653 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.974 5.351 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.605 8.040 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.627 7.240 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.129 6.374 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.553 5.591 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.164 8.103 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.030 6.489 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.601 7.866 -0.489 1.00 0.00 H new ATOM 535 N GLN A 36 -7.064 6.154 0.410 1.00 0.00 N ATOM 536 CA GLN A 36 -8.308 5.654 0.981 1.00 0.00 C ATOM 537 C GLN A 36 -8.714 4.335 0.332 1.00 0.00 C ATOM 538 O GLN A 36 -9.070 3.376 1.019 1.00 0.00 O ATOM 539 CB GLN A 36 -9.424 6.686 0.808 1.00 0.00 C ATOM 540 CG GLN A 36 -10.502 6.601 1.877 1.00 0.00 C ATOM 541 CD GLN A 36 -11.593 7.637 1.688 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.316 7.620 0.691 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.718 8.546 2.648 1.00 0.00 N ATOM 0 H GLN A 36 -7.157 7.031 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.146 5.479 2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.989 7.685 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.883 6.551 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.945 5.605 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.047 6.733 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.097 8.522 3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.435 9.268 2.577 1.00 0.00 H new ATOM 552 N LYS A 37 -8.659 4.292 -0.994 1.00 0.00 N ATOM 553 CA LYS A 37 -9.020 3.090 -1.738 1.00 0.00 C ATOM 554 C LYS A 37 -8.231 1.884 -1.238 1.00 0.00 C ATOM 555 O LYS A 37 -8.796 0.816 -1.001 1.00 0.00 O ATOM 556 CB LYS A 37 -8.766 3.295 -3.233 1.00 0.00 C ATOM 557 CG LYS A 37 -9.784 4.199 -3.905 1.00 0.00 C ATOM 558 CD LYS A 37 -10.977 3.410 -4.418 1.00 0.00 C ATOM 559 CE LYS A 37 -10.722 2.857 -5.811 1.00 0.00 C ATOM 560 NZ LYS A 37 -11.971 2.352 -6.446 1.00 0.00 N ATOM 0 H LYS A 37 -8.368 5.076 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.081 2.899 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.771 3.719 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.770 2.325 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.124 4.955 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.312 4.727 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.193 2.590 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.858 4.051 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.286 3.636 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.992 2.049 -5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.754 1.984 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.374 1.591 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.659 3.128 -6.525 1.00 0.00 H new ATOM 574 N VAL A 38 -6.924 2.062 -1.077 1.00 0.00 N ATOM 575 CA VAL A 38 -6.059 0.989 -0.603 1.00 0.00 C ATOM 576 C VAL A 38 -6.602 0.373 0.681 1.00 0.00 C ATOM 577 O VAL A 38 -6.890 -0.823 0.736 1.00 0.00 O ATOM 578 CB VAL A 38 -4.625 1.494 -0.351 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.768 0.390 0.249 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.011 2.016 -1.641 1.00 0.00 C ATOM 0 H VAL A 38 -6.441 2.940 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.037 0.231 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.667 2.316 0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.759 0.765 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.201 0.068 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.729 -0.455 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.998 2.369 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.980 1.215 -2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.614 2.839 -2.024 1.00 0.00 H new ATOM 590 N LYS A 39 -6.739 1.197 1.715 1.00 0.00 N ATOM 591 CA LYS A 39 -7.249 0.735 3.000 1.00 0.00 C ATOM 592 C LYS A 39 -8.504 -0.112 2.814 1.00 0.00 C ATOM 593 O LYS A 39 -8.687 -1.125 3.489 1.00 0.00 O ATOM 594 CB LYS A 39 -7.556 1.927 3.909 1.00 0.00 C ATOM 595 CG LYS A 39 -6.386 2.342 4.784 1.00 0.00 C ATOM 596 CD LYS A 39 -5.517 3.381 4.097 1.00 0.00 C ATOM 597 CE LYS A 39 -4.221 3.616 4.859 1.00 0.00 C ATOM 598 NZ LYS A 39 -3.737 5.016 4.712 1.00 0.00 N ATOM 0 H LYS A 39 -6.504 2.189 1.687 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.481 0.118 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.857 2.775 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.405 1.678 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.760 2.744 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.784 1.466 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.290 3.053 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.066 4.319 4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.375 3.394 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.457 2.928 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.363 5.351 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.984 5.050 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.525 5.626 4.415 1.00 0.00 H new ATOM 612 N GLY A 40 -9.366 0.308 1.894 1.00 0.00 N ATOM 613 CA GLY A 40 -10.592 -0.424 1.635 1.00 0.00 C ATOM 614 C GLY A 40 -10.334 -1.799 1.051 1.00 0.00 C ATOM 615 O GLY A 40 -11.045 -2.756 1.358 1.00 0.00 O ATOM 0 H GLY A 40 -9.237 1.143 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.153 -0.527 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.215 0.148 0.948 1.00 0.00 H new ATOM 619 N LEU A 41 -9.314 -1.898 0.205 1.00 0.00 N ATOM 620 CA LEU A 41 -8.964 -3.166 -0.426 1.00 0.00 C ATOM 621 C LEU A 41 -8.768 -4.259 0.620 1.00 0.00 C ATOM 622 O LEU A 41 -9.482 -5.263 0.626 1.00 0.00 O ATOM 623 CB LEU A 41 -7.692 -3.009 -1.260 1.00 0.00 C ATOM 624 CG LEU A 41 -7.106 -4.297 -1.841 1.00 0.00 C ATOM 625 CD1 LEU A 41 -7.881 -4.725 -3.077 1.00 0.00 C ATOM 626 CD2 LEU A 41 -5.632 -4.112 -2.170 1.00 0.00 C ATOM 0 H LEU A 41 -8.715 -1.116 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.786 -3.457 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.903 -2.326 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.931 -2.535 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.194 -5.084 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.450 -5.643 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.923 -4.899 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.826 -3.940 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.232 -5.038 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.520 -3.311 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.086 -3.853 -1.263 1.00 0.00 H new ATOM 638 N LEU A 42 -7.798 -4.057 1.505 1.00 0.00 N ATOM 639 CA LEU A 42 -7.509 -5.024 2.558 1.00 0.00 C ATOM 640 C LEU A 42 -8.598 -5.007 3.626 1.00 0.00 C ATOM 641 O LEU A 42 -9.007 -6.055 4.127 1.00 0.00 O ATOM 642 CB LEU A 42 -6.150 -4.726 3.193 1.00 0.00 C ATOM 643 CG LEU A 42 -4.968 -4.616 2.230 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.904 -3.688 2.794 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.383 -5.991 1.944 1.00 0.00 C ATOM 0 H LEU A 42 -7.198 -3.232 1.514 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.482 -6.017 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.228 -3.791 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.930 -5.510 3.918 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.327 -4.194 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.071 -3.622 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.330 -2.696 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.548 -4.079 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.543 -5.893 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.039 -6.441 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.147 -6.625 1.495 1.00 0.00 H new ATOM 657 N SER A 43 -9.064 -3.811 3.969 1.00 0.00 N ATOM 658 CA SER A 43 -10.105 -3.657 4.980 1.00 0.00 C ATOM 659 C SER A 43 -11.083 -4.827 4.935 1.00 0.00 C ATOM 660 O SER A 43 -11.611 -5.248 5.964 1.00 0.00 O ATOM 661 CB SER A 43 -10.857 -2.341 4.771 1.00 0.00 C ATOM 662 OG SER A 43 -12.126 -2.373 5.400 1.00 0.00 O ATOM 0 H SER A 43 -8.738 -2.934 3.562 1.00 0.00 H new ATOM 0 HA SER A 43 -9.627 -3.643 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.270 -1.515 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.981 -2.155 3.704 1.00 0.00 H new ATOM 0 HG SER A 43 -12.009 -2.479 6.367 1.00 0.00 H new ATOM 668 N ARG A 44 -11.318 -5.347 3.735 1.00 0.00 N ATOM 669 CA ARG A 44 -12.233 -6.468 3.555 1.00 0.00 C ATOM 670 C ARG A 44 -11.523 -7.795 3.805 1.00 0.00 C ATOM 671 O ARG A 44 -11.994 -8.627 4.582 1.00 0.00 O ATOM 672 CB ARG A 44 -12.823 -6.451 2.143 1.00 0.00 C ATOM 673 CG ARG A 44 -13.712 -5.249 1.869 1.00 0.00 C ATOM 674 CD ARG A 44 -15.154 -5.521 2.265 1.00 0.00 C ATOM 675 NE ARG A 44 -15.378 -5.316 3.694 1.00 0.00 N ATOM 676 CZ ARG A 44 -15.476 -4.118 4.258 1.00 0.00 C ATOM 677 NH1 ARG A 44 -15.372 -3.023 3.517 1.00 0.00 N ATOM 678 NH2 ARG A 44 -15.679 -4.013 5.565 1.00 0.00 N ATOM 0 H ARG A 44 -10.888 -5.010 2.873 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.040 -6.365 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.009 -6.463 1.418 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.401 -7.362 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.339 -4.386 2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.666 -4.995 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.815 -4.867 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.415 -6.546 2.001 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.464 -6.138 4.291 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.216 -3.100 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.448 -2.104 3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.760 -4.853 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.754 -3.092 5.997 1.00 0.00 H new ATOM 692 N LEU A 45 -10.389 -7.987 3.142 1.00 0.00 N ATOM 693 CA LEU A 45 -9.613 -9.214 3.291 1.00 0.00 C ATOM 694 C LEU A 45 -9.303 -9.486 4.760 1.00 0.00 C ATOM 695 O LEU A 45 -9.469 -10.607 5.243 1.00 0.00 O ATOM 696 CB LEU A 45 -8.312 -9.119 2.493 1.00 0.00 C ATOM 697 CG LEU A 45 -7.198 -10.081 2.907 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.713 -11.512 2.938 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.011 -9.960 1.963 1.00 0.00 C ATOM 0 H LEU A 45 -9.985 -7.309 2.496 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.209 -10.041 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.541 -9.291 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.933 -8.100 2.574 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.867 -9.814 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.907 -12.183 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.531 -11.589 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.071 -11.791 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.228 -10.652 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.327 -10.201 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.626 -8.940 1.991 1.00 0.00 H new ATOM 711 N LEU A 46 -8.854 -8.454 5.465 1.00 0.00 N ATOM 712 CA LEU A 46 -8.523 -8.581 6.880 1.00 0.00 C ATOM 713 C LEU A 46 -9.701 -8.165 7.755 1.00 0.00 C ATOM 714 O LEU A 46 -9.614 -8.181 8.983 1.00 0.00 O ATOM 715 CB LEU A 46 -7.298 -7.729 7.216 1.00 0.00 C ATOM 716 CG LEU A 46 -5.949 -8.282 6.756 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.977 -7.148 6.468 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.375 -9.226 7.801 1.00 0.00 C ATOM 0 H LEU A 46 -8.711 -7.520 5.080 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.297 -9.628 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.434 -6.743 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.262 -7.591 8.297 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.104 -8.843 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.022 -7.561 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.384 -6.511 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.827 -6.559 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.415 -9.610 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.235 -8.689 8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.063 -10.057 7.958 1.00 0.00 H new ATOM 730 N LYS A 47 -10.805 -7.793 7.114 1.00 0.00 N ATOM 731 CA LYS A 47 -12.003 -7.376 7.832 1.00 0.00 C ATOM 732 C LYS A 47 -11.684 -6.256 8.819 1.00 0.00 C ATOM 733 O LYS A 47 -12.232 -6.211 9.920 1.00 0.00 O ATOM 734 CB LYS A 47 -12.618 -8.564 8.575 1.00 0.00 C ATOM 735 CG LYS A 47 -12.809 -9.793 7.703 1.00 0.00 C ATOM 736 CD LYS A 47 -11.510 -10.561 7.530 1.00 0.00 C ATOM 737 CE LYS A 47 -11.759 -11.966 7.001 1.00 0.00 C ATOM 738 NZ LYS A 47 -11.819 -11.995 5.513 1.00 0.00 N ATOM 0 H LYS A 47 -10.894 -7.772 6.098 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.721 -7.001 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.980 -8.824 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.583 -8.266 8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.561 -10.444 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.188 -9.492 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.857 -10.023 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.990 -10.618 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.966 -12.630 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.695 -12.348 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.973 -12.972 5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.603 -11.395 5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.923 -11.639 5.122 1.00 0.00 H new ATOM 752 N VAL A 48 -10.796 -5.354 8.415 1.00 0.00 N ATOM 753 CA VAL A 48 -10.406 -4.233 9.262 1.00 0.00 C ATOM 754 C VAL A 48 -10.923 -2.913 8.700 1.00 0.00 C ATOM 755 O VAL A 48 -10.892 -2.669 7.494 1.00 0.00 O ATOM 756 CB VAL A 48 -8.875 -4.149 9.414 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.485 -2.923 10.225 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.334 -5.418 10.056 1.00 0.00 C ATOM 0 H VAL A 48 -10.333 -5.377 7.506 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.852 -4.407 10.241 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.433 -4.054 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.400 -2.881 10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.840 -2.025 9.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.935 -2.984 11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.251 -5.342 10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.781 -5.546 11.042 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.581 -6.276 9.431 1.00 0.00 H new ATOM 768 N PRO A 49 -11.411 -2.040 9.594 1.00 0.00 N ATOM 769 CA PRO A 49 -11.943 -0.729 9.211 1.00 0.00 C ATOM 770 C PRO A 49 -10.852 0.222 8.730 1.00 0.00 C ATOM 771 O PRO A 49 -9.803 0.349 9.361 1.00 0.00 O ATOM 772 CB PRO A 49 -12.573 -0.210 10.506 1.00 0.00 C ATOM 773 CG PRO A 49 -11.834 -0.909 11.593 1.00 0.00 C ATOM 774 CD PRO A 49 -11.479 -2.265 11.048 1.00 0.00 C ATOM 0 HA PRO A 49 -12.644 -0.801 8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.471 0.872 10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.639 -0.433 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.938 -0.355 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.449 -0.997 12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.528 -2.621 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.231 -3.011 11.305 1.00 0.00 H new ATOM 782 N VAL A 50 -11.107 0.888 7.608 1.00 0.00 N ATOM 783 CA VAL A 50 -10.147 1.829 7.044 1.00 0.00 C ATOM 784 C VAL A 50 -9.691 2.842 8.088 1.00 0.00 C ATOM 785 O VAL A 50 -8.648 3.479 7.936 1.00 0.00 O ATOM 786 CB VAL A 50 -10.741 2.583 5.839 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.912 3.817 5.519 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.834 1.664 4.630 1.00 0.00 C ATOM 0 H VAL A 50 -11.970 0.793 7.072 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.290 1.244 6.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.748 2.910 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.347 4.336 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.902 4.483 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.891 3.518 5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.256 2.212 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.839 1.306 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.475 0.815 4.867 1.00 0.00 H new ATOM 798 N SER A 51 -10.479 2.985 9.149 1.00 0.00 N ATOM 799 CA SER A 51 -10.158 3.924 10.218 1.00 0.00 C ATOM 800 C SER A 51 -8.987 3.415 11.054 1.00 0.00 C ATOM 801 O SER A 51 -8.199 4.200 11.580 1.00 0.00 O ATOM 802 CB SER A 51 -11.379 4.148 11.113 1.00 0.00 C ATOM 803 OG SER A 51 -12.165 5.228 10.641 1.00 0.00 O ATOM 0 H SER A 51 -11.344 2.463 9.291 1.00 0.00 H new ATOM 0 HA SER A 51 -9.872 4.872 9.762 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.983 3.241 11.144 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.054 4.349 12.134 1.00 0.00 H new ATOM 0 HG SER A 51 -12.940 5.350 11.228 1.00 0.00 H new ATOM 809 N GLU A 52 -8.882 2.095 11.172 1.00 0.00 N ATOM 810 CA GLU A 52 -7.808 1.481 11.945 1.00 0.00 C ATOM 811 C GLU A 52 -6.636 1.103 11.043 1.00 0.00 C ATOM 812 O GLU A 52 -5.500 0.980 11.502 1.00 0.00 O ATOM 813 CB GLU A 52 -8.323 0.240 12.678 1.00 0.00 C ATOM 814 CG GLU A 52 -9.254 0.560 13.835 1.00 0.00 C ATOM 815 CD GLU A 52 -9.614 -0.667 14.650 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.765 -1.577 14.761 1.00 0.00 O ATOM 817 OE2 GLU A 52 -10.745 -0.718 15.177 1.00 0.00 O ATOM 0 H GLU A 52 -9.526 1.431 10.743 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.460 2.209 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.846 -0.400 11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.473 -0.329 13.054 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.781 1.297 14.484 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.166 1.015 13.448 1.00 0.00 H new ATOM 824 N LEU A 53 -6.921 0.921 9.759 1.00 0.00 N ATOM 825 CA LEU A 53 -5.891 0.557 8.791 1.00 0.00 C ATOM 826 C LEU A 53 -4.947 1.727 8.534 1.00 0.00 C ATOM 827 O LEU A 53 -5.384 2.867 8.373 1.00 0.00 O ATOM 828 CB LEU A 53 -6.534 0.107 7.478 1.00 0.00 C ATOM 829 CG LEU A 53 -6.910 -1.372 7.387 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.501 -1.690 6.022 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.697 -2.249 7.663 1.00 0.00 C ATOM 0 H LEU A 53 -7.856 1.019 9.363 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.312 -0.268 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.434 0.701 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.848 0.338 6.663 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.665 -1.582 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.762 -2.747 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.396 -1.088 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.769 -1.463 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.983 -3.298 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.920 -2.036 6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.318 -2.041 8.664 1.00 0.00 H new ATOM 843 N LEU A 54 -3.651 1.437 8.495 1.00 0.00 N ATOM 844 CA LEU A 54 -2.645 2.465 8.255 1.00 0.00 C ATOM 845 C LEU A 54 -1.496 1.916 7.415 1.00 0.00 C ATOM 846 O LEU A 54 -0.711 1.089 7.881 1.00 0.00 O ATOM 847 CB LEU A 54 -2.109 3.002 9.583 1.00 0.00 C ATOM 848 CG LEU A 54 -3.160 3.398 10.620 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.559 3.400 12.017 1.00 0.00 C ATOM 850 CD2 LEU A 54 -3.749 4.762 10.289 1.00 0.00 C ATOM 0 H LEU A 54 -3.273 0.499 8.626 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.117 3.279 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.461 2.244 10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.487 3.872 9.375 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.963 2.661 10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.322 3.684 12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.187 2.403 12.254 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.736 4.114 12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.495 5.027 11.038 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.956 5.510 10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.218 4.727 9.306 1.00 0.00 H new ATOM 862 N LEU A 55 -1.401 2.383 6.175 1.00 0.00 N ATOM 863 CA LEU A 55 -0.346 1.941 5.269 1.00 0.00 C ATOM 864 C LEU A 55 0.898 2.812 5.415 1.00 0.00 C ATOM 865 O LEU A 55 0.802 4.034 5.530 1.00 0.00 O ATOM 866 CB LEU A 55 -0.841 1.976 3.822 1.00 0.00 C ATOM 867 CG LEU A 55 -1.402 0.665 3.272 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.418 -0.473 3.495 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.743 0.346 3.919 1.00 0.00 C ATOM 0 H LEU A 55 -2.042 3.068 5.774 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.082 0.916 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.614 2.740 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.015 2.290 3.184 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.556 0.780 2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.835 -1.398 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.519 -0.249 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.232 -0.589 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.128 -0.591 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.613 0.251 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.449 1.149 3.708 1.00 0.00 H new ATOM 881 N SER A 56 2.064 2.175 5.408 1.00 0.00 N ATOM 882 CA SER A 56 3.327 2.892 5.541 1.00 0.00 C ATOM 883 C SER A 56 4.387 2.301 4.617 1.00 0.00 C ATOM 884 O SER A 56 4.727 1.122 4.716 1.00 0.00 O ATOM 885 CB SER A 56 3.815 2.844 6.991 1.00 0.00 C ATOM 886 OG SER A 56 3.494 1.603 7.596 1.00 0.00 O ATOM 0 H SER A 56 2.161 1.164 5.312 1.00 0.00 H new ATOM 0 HA SER A 56 3.159 3.930 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.894 2.998 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.361 3.657 7.558 1.00 0.00 H new ATOM 0 HG SER A 56 3.818 1.597 8.521 1.00 0.00 H new ATOM 892 N TYR A 57 4.906 3.130 3.717 1.00 0.00 N ATOM 893 CA TYR A 57 5.926 2.690 2.772 1.00 0.00 C ATOM 894 C TYR A 57 7.319 3.088 3.249 1.00 0.00 C ATOM 895 O TYR A 57 7.509 4.167 3.810 1.00 0.00 O ATOM 896 CB TYR A 57 5.659 3.285 1.388 1.00 0.00 C ATOM 897 CG TYR A 57 6.303 4.637 1.176 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.803 5.773 1.800 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.412 4.778 0.351 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.388 7.009 1.609 1.00 0.00 C ATOM 901 CE2 TYR A 57 8.005 6.010 0.155 1.00 0.00 C ATOM 902 CZ TYR A 57 7.489 7.123 0.786 1.00 0.00 C ATOM 903 OH TYR A 57 8.075 8.353 0.592 1.00 0.00 O ATOM 0 H TYR A 57 4.637 4.109 3.622 1.00 0.00 H new ATOM 0 HA TYR A 57 5.881 1.603 2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.025 2.594 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.583 3.378 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.942 5.688 2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.818 3.909 -0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.986 7.882 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.868 6.101 -0.488 1.00 0.00 H new ATOM 0 HH TYR A 57 7.445 8.947 0.134 1.00 0.00 H new ATOM 913 N GLU A 58 8.289 2.209 3.021 1.00 0.00 N ATOM 914 CA GLU A 58 9.665 2.468 3.428 1.00 0.00 C ATOM 915 C GLU A 58 10.494 2.977 2.252 1.00 0.00 C ATOM 916 O GLU A 58 10.610 2.307 1.225 1.00 0.00 O ATOM 917 CB GLU A 58 10.299 1.199 4.001 1.00 0.00 C ATOM 918 CG GLU A 58 11.624 1.444 4.704 1.00 0.00 C ATOM 919 CD GLU A 58 12.323 0.157 5.095 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.928 -0.482 4.209 1.00 0.00 O ATOM 921 OE2 GLU A 58 12.266 -0.212 6.287 1.00 0.00 O ATOM 0 H GLU A 58 8.148 1.312 2.557 1.00 0.00 H new ATOM 0 HA GLU A 58 9.649 3.238 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.603 0.741 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.453 0.483 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.276 2.023 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.452 2.045 5.597 1.00 0.00 H new ATOM 928 N SER A 59 11.067 4.166 2.409 1.00 0.00 N ATOM 929 CA SER A 59 11.881 4.767 1.360 1.00 0.00 C ATOM 930 C SER A 59 13.157 3.963 1.134 1.00 0.00 C ATOM 931 O SER A 59 14.124 4.089 1.885 1.00 0.00 O ATOM 932 CB SER A 59 12.232 6.212 1.722 1.00 0.00 C ATOM 933 OG SER A 59 12.773 6.293 3.029 1.00 0.00 O ATOM 0 H SER A 59 10.982 4.732 3.253 1.00 0.00 H new ATOM 0 HA SER A 59 11.301 4.762 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.950 6.606 1.003 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.339 6.834 1.655 1.00 0.00 H new ATOM 0 HG SER A 59 13.376 5.536 3.181 1.00 0.00 H new ATOM 939 N SER A 60 13.152 3.135 0.094 1.00 0.00 N ATOM 940 CA SER A 60 14.307 2.307 -0.230 1.00 0.00 C ATOM 941 C SER A 60 15.607 3.043 0.079 1.00 0.00 C ATOM 942 O SER A 60 16.445 2.557 0.840 1.00 0.00 O ATOM 943 CB SER A 60 14.275 1.902 -1.705 1.00 0.00 C ATOM 944 OG SER A 60 13.196 1.023 -1.969 1.00 0.00 O ATOM 0 H SER A 60 12.360 3.020 -0.539 1.00 0.00 H new ATOM 0 HA SER A 60 14.263 1.409 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.184 2.792 -2.328 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.215 1.420 -1.973 1.00 0.00 H new ATOM 0 HG SER A 60 13.197 0.780 -2.918 1.00 0.00 H new ATOM 950 N LYS A 61 15.770 4.219 -0.517 1.00 0.00 N ATOM 951 CA LYS A 61 16.966 5.025 -0.307 1.00 0.00 C ATOM 952 C LYS A 61 17.275 5.163 1.180 1.00 0.00 C ATOM 953 O LYS A 61 18.405 4.938 1.612 1.00 0.00 O ATOM 954 CB LYS A 61 16.789 6.411 -0.932 1.00 0.00 C ATOM 955 CG LYS A 61 16.578 6.377 -2.436 1.00 0.00 C ATOM 956 CD LYS A 61 16.814 7.740 -3.063 1.00 0.00 C ATOM 957 CE LYS A 61 18.267 7.920 -3.474 1.00 0.00 C ATOM 958 NZ LYS A 61 19.087 8.499 -2.374 1.00 0.00 N ATOM 0 H LYS A 61 15.087 4.635 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 61 17.803 4.520 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.937 6.905 -0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 61 17.669 7.015 -0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.254 5.648 -2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.563 6.046 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.171 7.857 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.536 8.521 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 61 18.683 6.957 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 61 18.320 8.570 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.873 9.047 -2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.494 9.123 -1.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.468 7.732 -1.784 1.00 0.00 H new ATOM 972 N MET A 62 16.263 5.533 1.958 1.00 0.00 N ATOM 973 CA MET A 62 16.427 5.697 3.398 1.00 0.00 C ATOM 974 C MET A 62 15.568 4.694 4.161 1.00 0.00 C ATOM 975 O MET A 62 14.453 4.994 4.589 1.00 0.00 O ATOM 976 CB MET A 62 16.059 7.122 3.815 1.00 0.00 C ATOM 977 CG MET A 62 16.782 7.595 5.066 1.00 0.00 C ATOM 978 SD MET A 62 16.214 6.753 6.556 1.00 0.00 S ATOM 979 CE MET A 62 17.766 6.493 7.411 1.00 0.00 C ATOM 0 H MET A 62 15.321 5.725 1.616 1.00 0.00 H new ATOM 0 HA MET A 62 17.473 5.513 3.643 1.00 0.00 H new ATOM 0 HB2 MET A 62 16.287 7.802 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.984 7.176 3.984 1.00 0.00 H new ATOM 0 HG2 MET A 62 17.853 7.431 4.946 1.00 0.00 H new ATOM 0 HG3 MET A 62 16.635 8.669 5.182 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.580 5.980 8.355 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.425 5.885 6.792 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.239 7.455 7.608 1.00 0.00 H new ATOM 989 N PRO A 63 16.096 3.474 4.337 1.00 0.00 N ATOM 990 CA PRO A 63 15.393 2.402 5.049 1.00 0.00 C ATOM 991 C PRO A 63 15.282 2.677 6.545 1.00 0.00 C ATOM 992 O PRO A 63 16.032 3.482 7.096 1.00 0.00 O ATOM 993 CB PRO A 63 16.270 1.173 4.795 1.00 0.00 C ATOM 994 CG PRO A 63 17.630 1.724 4.539 1.00 0.00 C ATOM 995 CD PRO A 63 17.419 3.046 3.854 1.00 0.00 C ATOM 0 HA PRO A 63 14.366 2.288 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.270 0.502 5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.909 0.598 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.181 1.851 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.213 1.049 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.195 3.764 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.437 2.944 2.769 1.00 0.00 H new ATOM 1003 N GLY A 64 14.341 2.001 7.198 1.00 0.00 N ATOM 1004 CA GLY A 64 14.150 2.186 8.625 1.00 0.00 C ATOM 1005 C GLY A 64 13.246 3.361 8.941 1.00 0.00 C ATOM 1006 O GLY A 64 12.760 3.494 10.064 1.00 0.00 O ATOM 0 H GLY A 64 13.708 1.329 6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.724 1.278 9.052 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.118 2.338 9.101 1.00 0.00 H new ATOM 1010 N ARG A 65 13.020 4.216 7.949 1.00 0.00 N ATOM 1011 CA ARG A 65 12.171 5.387 8.128 1.00 0.00 C ATOM 1012 C ARG A 65 10.913 5.282 7.270 1.00 0.00 C ATOM 1013 O ARG A 65 10.873 5.784 6.147 1.00 0.00 O ATOM 1014 CB ARG A 65 12.940 6.660 7.771 1.00 0.00 C ATOM 1015 CG ARG A 65 12.297 7.930 8.304 1.00 0.00 C ATOM 1016 CD ARG A 65 12.975 9.173 7.751 1.00 0.00 C ATOM 1017 NE ARG A 65 12.868 10.308 8.665 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.634 10.462 9.739 1.00 0.00 C ATOM 1019 NH1 ARG A 65 14.559 9.559 10.032 1.00 0.00 N ATOM 1020 NH2 ARG A 65 13.476 11.522 10.521 1.00 0.00 N ATOM 0 H ARG A 65 13.413 4.119 7.013 1.00 0.00 H new ATOM 0 HA ARG A 65 11.873 5.433 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.954 6.584 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.023 6.732 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.240 7.943 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.353 7.938 9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.027 8.958 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.526 9.435 6.793 1.00 0.00 H new ATOM 0 HE ARG A 65 12.166 11.021 8.467 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.684 8.744 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.146 9.680 10.857 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.766 12.219 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.065 11.640 11.346 1.00 0.00 H new ATOM 1034 N GLU A 66 9.889 4.627 7.808 1.00 0.00 N ATOM 1035 CA GLU A 66 8.631 4.456 7.091 1.00 0.00 C ATOM 1036 C GLU A 66 7.753 5.696 7.230 1.00 0.00 C ATOM 1037 O GLU A 66 7.751 6.355 8.270 1.00 0.00 O ATOM 1038 CB GLU A 66 7.884 3.227 7.612 1.00 0.00 C ATOM 1039 CG GLU A 66 7.419 3.363 9.053 1.00 0.00 C ATOM 1040 CD GLU A 66 8.543 3.159 10.050 1.00 0.00 C ATOM 1041 OE1 GLU A 66 9.236 4.146 10.373 1.00 0.00 O ATOM 1042 OE2 GLU A 66 8.728 2.012 10.507 1.00 0.00 O ATOM 0 H GLU A 66 9.906 4.206 8.737 1.00 0.00 H new ATOM 0 HA GLU A 66 8.861 4.311 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.019 3.041 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.533 2.355 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.984 4.352 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.630 2.636 9.247 1.00 0.00 H new ATOM 1049 N ILE A 67 7.008 6.007 6.174 1.00 0.00 N ATOM 1050 CA ILE A 67 6.125 7.167 6.179 1.00 0.00 C ATOM 1051 C ILE A 67 4.667 6.748 6.333 1.00 0.00 C ATOM 1052 O ILE A 67 4.088 6.139 5.434 1.00 0.00 O ATOM 1053 CB ILE A 67 6.276 7.994 4.888 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.692 8.565 4.784 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.245 9.112 4.852 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.682 7.612 4.151 1.00 0.00 C ATOM 0 H ILE A 67 6.998 5.473 5.305 1.00 0.00 H new ATOM 0 HA ILE A 67 6.416 7.781 7.031 1.00 0.00 H new ATOM 0 HB ILE A 67 6.105 7.340 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.662 9.485 4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.042 8.831 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.364 9.688 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.243 8.684 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.388 9.767 5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.664 8.082 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.741 6.700 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.355 7.366 3.141 1.00 0.00 H new ATOM 1068 N GLU A 68 4.079 7.079 7.478 1.00 0.00 N ATOM 1069 CA GLU A 68 2.688 6.738 7.749 1.00 0.00 C ATOM 1070 C GLU A 68 1.747 7.540 6.855 1.00 0.00 C ATOM 1071 O GLU A 68 1.647 8.762 6.977 1.00 0.00 O ATOM 1072 CB GLU A 68 2.354 6.994 9.220 1.00 0.00 C ATOM 1073 CG GLU A 68 3.034 8.226 9.793 1.00 0.00 C ATOM 1074 CD GLU A 68 4.381 7.913 10.414 1.00 0.00 C ATOM 1075 OE1 GLU A 68 4.994 6.898 10.021 1.00 0.00 O ATOM 1076 OE2 GLU A 68 4.822 8.682 11.294 1.00 0.00 O ATOM 0 H GLU A 68 4.544 7.583 8.233 1.00 0.00 H new ATOM 0 HA GLU A 68 2.552 5.678 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.275 7.103 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.645 6.123 9.807 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.166 8.965 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.387 8.677 10.546 1.00 0.00 H new ATOM 1083 N LEU A 69 1.059 6.845 5.956 1.00 0.00 N ATOM 1084 CA LEU A 69 0.125 7.491 5.040 1.00 0.00 C ATOM 1085 C LEU A 69 -1.187 7.823 5.745 1.00 0.00 C ATOM 1086 O LEU A 69 -1.994 6.937 6.023 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.144 6.589 3.835 1.00 0.00 C ATOM 1088 CG LEU A 69 1.090 6.043 3.116 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.697 4.943 2.142 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.825 7.162 2.393 1.00 0.00 C ATOM 0 H LEU A 69 1.130 5.834 5.842 1.00 0.00 H new ATOM 0 HA LEU A 69 0.576 8.421 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.750 5.745 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.742 7.147 3.115 1.00 0.00 H new ATOM 0 HG LEU A 69 1.762 5.617 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.588 4.566 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.216 4.130 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.005 5.343 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.700 6.755 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.161 7.618 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.141 7.916 3.115 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.393 9.106 6.027 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.608 9.554 6.697 1.00 0.00 C ATOM 1104 C GLU A 70 -3.672 9.959 5.681 1.00 0.00 C ATOM 1105 O GLU A 70 -4.745 9.361 5.618 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.300 10.730 7.626 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.133 10.475 8.564 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.449 9.434 9.620 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -2.534 9.522 10.233 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.613 8.531 9.833 1.00 0.00 O ATOM 0 H GLU A 70 -0.735 9.852 5.802 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.993 8.724 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.084 11.612 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.187 10.957 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.270 10.148 7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.853 11.409 9.052 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.366 10.980 4.887 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.295 11.467 3.874 1.00 0.00 C ATOM 1119 C ASN A 71 -4.861 10.311 3.055 1.00 0.00 C ATOM 1120 O ASN A 71 -4.113 9.498 2.511 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.598 12.468 2.951 1.00 0.00 C ATOM 1122 CG ASN A 71 -4.564 13.476 2.357 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -5.703 13.143 2.032 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.110 14.715 2.212 1.00 0.00 N ATOM 0 H ASN A 71 -2.481 11.486 4.926 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.119 11.966 4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.824 12.995 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.099 11.929 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.713 15.436 1.817 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.158 14.946 2.496 1.00 0.00 H new ATOM 1131 N ASP A 72 -6.185 10.245 2.969 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.851 9.190 2.215 1.00 0.00 C ATOM 1133 C ASP A 72 -7.252 9.685 0.828 1.00 0.00 C ATOM 1134 O ASP A 72 -7.223 8.929 -0.144 1.00 0.00 O ATOM 1135 CB ASP A 72 -8.086 8.695 2.970 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.919 8.786 4.474 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -6.970 8.171 5.004 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.737 9.473 5.121 1.00 0.00 O ATOM 0 H ASP A 72 -6.818 10.910 3.413 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.151 8.363 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.953 9.282 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.288 7.661 2.692 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.626 10.956 0.744 1.00 0.00 N ATOM 1144 CA LEU A 73 -8.035 11.552 -0.523 1.00 0.00 C ATOM 1145 C LEU A 73 -6.828 11.794 -1.425 1.00 0.00 C ATOM 1146 O LEU A 73 -6.976 12.171 -2.587 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.773 12.869 -0.276 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.963 12.801 0.682 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.397 14.200 1.093 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -11.120 12.048 0.043 1.00 0.00 C ATOM 0 H LEU A 73 -7.655 11.595 1.539 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.707 10.855 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.059 13.595 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.125 13.251 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.654 12.260 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.245 14.132 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.570 14.706 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.688 14.766 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.958 12.010 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.429 12.560 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.804 11.034 -0.200 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.636 11.572 -0.881 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.404 11.764 -1.638 1.00 0.00 C ATOM 1164 C GLN A 74 -3.868 10.433 -2.152 1.00 0.00 C ATOM 1165 O GLN A 74 -3.835 9.431 -1.437 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.349 12.452 -0.769 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.695 13.889 -0.415 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.652 14.812 -1.616 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.639 14.360 -2.761 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.631 16.115 -1.361 1.00 0.00 N ATOM 0 H GLN A 74 -5.497 11.259 0.080 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.629 12.399 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.219 11.881 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.393 12.436 -1.292 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.691 13.921 0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.999 14.251 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.643 16.446 -0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.603 16.785 -2.130 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.437 10.419 -3.422 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.894 9.216 -4.061 1.00 0.00 C ATOM 1181 C PRO A 75 -1.535 8.822 -3.493 1.00 0.00 C ATOM 1182 O PRO A 75 -1.005 9.490 -2.604 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.761 9.624 -5.530 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.624 11.107 -5.501 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.447 11.576 -4.333 1.00 0.00 C ATOM 0 HA PRO A 75 -3.532 8.347 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.893 9.155 -5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.634 9.318 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.581 11.400 -5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.979 11.550 -6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.013 12.460 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.460 11.840 -4.636 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.975 7.734 -4.011 1.00 0.00 N ATOM 1194 CA LEU A 76 0.324 7.251 -3.556 1.00 0.00 C ATOM 1195 C LEU A 76 1.447 8.148 -4.064 1.00 0.00 C ATOM 1196 O LEU A 76 2.489 8.278 -3.422 1.00 0.00 O ATOM 1197 CB LEU A 76 0.550 5.814 -4.029 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.324 4.746 -3.370 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.005 4.635 -1.887 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.798 5.059 -3.579 1.00 0.00 C ATOM 0 H LEU A 76 -1.400 7.170 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 76 0.331 7.274 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.385 5.777 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.595 5.556 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.107 3.786 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.637 3.870 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.043 4.362 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.192 5.593 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.405 4.288 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.030 6.028 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.017 5.085 -4.647 1.00 0.00 H new ATOM 1212 N GLN A 77 1.227 8.767 -5.220 1.00 0.00 N ATOM 1213 CA GLN A 77 2.221 9.654 -5.813 1.00 0.00 C ATOM 1214 C GLN A 77 2.442 10.885 -4.941 1.00 0.00 C ATOM 1215 O GLN A 77 3.514 11.489 -4.961 1.00 0.00 O ATOM 1216 CB GLN A 77 1.784 10.079 -7.215 1.00 0.00 C ATOM 1217 CG GLN A 77 2.619 11.208 -7.797 1.00 0.00 C ATOM 1218 CD GLN A 77 2.155 11.626 -9.179 1.00 0.00 C ATOM 1219 OE1 GLN A 77 2.799 11.316 -10.182 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.032 12.332 -9.238 1.00 0.00 N ATOM 0 H GLN A 77 0.370 8.670 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 77 3.162 9.108 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.839 9.217 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.740 10.390 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.577 12.068 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.662 10.895 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.531 12.566 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.670 12.640 -10.140 1.00 0.00 H new ATOM 1229 N PHE A 78 1.419 11.253 -4.175 1.00 0.00 N ATOM 1230 CA PHE A 78 1.501 12.414 -3.297 1.00 0.00 C ATOM 1231 C PHE A 78 2.543 12.197 -2.204 1.00 0.00 C ATOM 1232 O PHE A 78 3.174 13.145 -1.735 1.00 0.00 O ATOM 1233 CB PHE A 78 0.136 12.699 -2.666 1.00 0.00 C ATOM 1234 CG PHE A 78 0.160 13.823 -1.670 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.016 15.137 -2.084 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.325 13.565 -0.318 1.00 0.00 C ATOM 1237 CE1 PHE A 78 0.038 16.173 -1.169 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.348 14.597 0.601 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.203 15.903 0.175 1.00 0.00 C ATOM 0 H PHE A 78 0.524 10.764 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 78 1.803 13.272 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.577 12.938 -3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.224 11.795 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.115 15.355 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.437 12.546 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.074 17.193 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.479 14.383 1.651 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.219 16.711 0.891 1.00 0.00 H new ATOM 1249 N TYR A 79 2.719 10.943 -1.803 1.00 0.00 N ATOM 1250 CA TYR A 79 3.682 10.600 -0.764 1.00 0.00 C ATOM 1251 C TYR A 79 5.037 10.250 -1.371 1.00 0.00 C ATOM 1252 O TYR A 79 5.920 9.729 -0.689 1.00 0.00 O ATOM 1253 CB TYR A 79 3.167 9.427 0.072 1.00 0.00 C ATOM 1254 CG TYR A 79 2.024 9.793 0.991 1.00 0.00 C ATOM 1255 CD1 TYR A 79 0.707 9.739 0.550 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.260 10.195 2.300 1.00 0.00 C ATOM 1257 CE1 TYR A 79 -0.340 10.073 1.386 1.00 0.00 C ATOM 1258 CE2 TYR A 79 1.219 10.531 3.143 1.00 0.00 C ATOM 1259 CZ TYR A 79 -0.079 10.468 2.682 1.00 0.00 C ATOM 1260 OH TYR A 79 -1.120 10.803 3.518 1.00 0.00 O ATOM 0 H TYR A 79 2.207 10.147 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 79 3.807 11.470 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.843 8.630 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.988 9.029 0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.499 9.431 -0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.275 10.246 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.358 10.025 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 79 1.420 10.841 4.158 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.069 11.757 3.738 1.00 0.00 H new ATOM 1270 N SER A 80 5.195 10.543 -2.658 1.00 0.00 N ATOM 1271 CA SER A 80 6.441 10.257 -3.360 1.00 0.00 C ATOM 1272 C SER A 80 6.723 8.758 -3.378 1.00 0.00 C ATOM 1273 O SER A 80 7.850 8.324 -3.141 1.00 0.00 O ATOM 1274 CB SER A 80 7.605 10.999 -2.699 1.00 0.00 C ATOM 1275 OG SER A 80 7.545 12.388 -2.973 1.00 0.00 O ATOM 0 H SER A 80 4.476 10.978 -3.236 1.00 0.00 H new ATOM 0 HA SER A 80 6.337 10.601 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.579 10.836 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.550 10.594 -3.060 1.00 0.00 H new ATOM 0 HG SER A 80 8.298 12.840 -2.538 1.00 0.00 H new ATOM 1281 N VAL A 81 5.689 7.971 -3.660 1.00 0.00 N ATOM 1282 CA VAL A 81 5.825 6.520 -3.710 1.00 0.00 C ATOM 1283 C VAL A 81 5.945 6.029 -5.148 1.00 0.00 C ATOM 1284 O VAL A 81 5.209 6.472 -6.029 1.00 0.00 O ATOM 1285 CB VAL A 81 4.627 5.821 -3.039 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.754 4.310 -3.161 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.515 6.240 -1.581 1.00 0.00 C ATOM 0 H VAL A 81 4.749 8.314 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 81 6.735 6.268 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 81 3.715 6.127 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.899 3.833 -2.681 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.781 4.031 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.673 3.982 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.664 5.737 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.427 5.964 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.374 7.319 -1.522 1.00 0.00 H new ATOM 1297 N GLU A 82 6.879 5.111 -5.378 1.00 0.00 N ATOM 1298 CA GLU A 82 7.096 4.559 -6.710 1.00 0.00 C ATOM 1299 C GLU A 82 7.391 3.064 -6.639 1.00 0.00 C ATOM 1300 O GLU A 82 7.663 2.525 -5.567 1.00 0.00 O ATOM 1301 CB GLU A 82 8.250 5.286 -7.405 1.00 0.00 C ATOM 1302 CG GLU A 82 7.881 6.670 -7.910 1.00 0.00 C ATOM 1303 CD GLU A 82 9.078 7.597 -7.998 1.00 0.00 C ATOM 1304 OE1 GLU A 82 9.922 7.564 -7.077 1.00 0.00 O ATOM 1305 OE2 GLU A 82 9.172 8.355 -8.986 1.00 0.00 O ATOM 0 H GLU A 82 7.497 4.734 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 82 6.183 4.704 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.085 5.373 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.596 4.682 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.421 6.583 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.135 7.108 -7.247 1.00 0.00 H new ATOM 1312 N ASN A 83 7.334 2.400 -7.789 1.00 0.00 N ATOM 1313 CA ASN A 83 7.593 0.967 -7.858 1.00 0.00 C ATOM 1314 C ASN A 83 8.935 0.625 -7.216 1.00 0.00 C ATOM 1315 O ASN A 83 9.924 1.331 -7.409 1.00 0.00 O ATOM 1316 CB ASN A 83 7.576 0.493 -9.313 1.00 0.00 C ATOM 1317 CG ASN A 83 8.581 1.234 -10.174 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.790 1.124 -9.970 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.083 1.994 -11.143 1.00 0.00 N ATOM 0 H ASN A 83 7.111 2.832 -8.686 1.00 0.00 H new ATOM 0 HA ASN A 83 6.805 0.454 -7.307 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.790 -0.575 -9.347 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.577 0.631 -9.726 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.710 2.516 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.073 2.055 -11.275 1.00 0.00 H new ATOM 1326 N GLY A 84 8.960 -0.463 -6.453 1.00 0.00 N ATOM 1327 CA GLY A 84 10.184 -0.879 -5.795 1.00 0.00 C ATOM 1328 C GLY A 84 10.085 -0.806 -4.284 1.00 0.00 C ATOM 1329 O GLY A 84 10.543 -1.707 -3.581 1.00 0.00 O ATOM 0 H GLY A 84 8.154 -1.064 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.423 -1.900 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.007 -0.249 -6.133 1.00 0.00 H new ATOM 1333 N ASP A 85 9.486 0.269 -3.784 1.00 0.00 N ATOM 1334 CA ASP A 85 9.329 0.457 -2.347 1.00 0.00 C ATOM 1335 C ASP A 85 8.498 -0.669 -1.739 1.00 0.00 C ATOM 1336 O ASP A 85 7.900 -1.471 -2.458 1.00 0.00 O ATOM 1337 CB ASP A 85 8.670 1.807 -2.056 1.00 0.00 C ATOM 1338 CG ASP A 85 7.178 1.792 -2.323 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.436 1.194 -1.515 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.751 2.378 -3.340 1.00 0.00 O ATOM 0 H ASP A 85 9.101 1.023 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 85 10.320 0.440 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.847 2.078 -1.015 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.138 2.577 -2.670 1.00 0.00 H new ATOM 1345 N CYS A 86 8.467 -0.725 -0.412 1.00 0.00 N ATOM 1346 CA CYS A 86 7.712 -1.755 0.292 1.00 0.00 C ATOM 1347 C CYS A 86 6.440 -1.175 0.901 1.00 0.00 C ATOM 1348 O CYS A 86 6.311 0.040 1.058 1.00 0.00 O ATOM 1349 CB CYS A 86 8.572 -2.389 1.386 1.00 0.00 C ATOM 1350 SG CYS A 86 9.688 -3.681 0.792 1.00 0.00 S ATOM 0 H CYS A 86 8.956 -0.069 0.198 1.00 0.00 H new ATOM 0 HA CYS A 86 7.431 -2.522 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.161 -1.609 1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.918 -2.811 2.148 1.00 0.00 H new ATOM 0 HG CYS A 86 10.374 -4.154 1.790 1.00 0.00 H new ATOM 1356 N LEU A 87 5.500 -2.051 1.241 1.00 0.00 N ATOM 1357 CA LEU A 87 4.236 -1.626 1.831 1.00 0.00 C ATOM 1358 C LEU A 87 4.014 -2.296 3.184 1.00 0.00 C ATOM 1359 O LEU A 87 3.954 -3.522 3.279 1.00 0.00 O ATOM 1360 CB LEU A 87 3.075 -1.955 0.891 1.00 0.00 C ATOM 1361 CG LEU A 87 2.786 -0.926 -0.203 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.483 -1.256 -0.915 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.735 0.477 0.383 1.00 0.00 C ATOM 0 H LEU A 87 5.590 -3.060 1.118 1.00 0.00 H new ATOM 0 HA LEU A 87 4.279 -0.547 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.279 -2.914 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.173 -2.082 1.490 1.00 0.00 H new ATOM 0 HG LEU A 87 3.595 -0.963 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.294 -0.513 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.557 -2.244 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.663 -1.248 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.528 1.195 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.947 0.529 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.693 0.713 0.846 1.00 0.00 H new ATOM 1375 N LEU A 88 3.891 -1.483 4.227 1.00 0.00 N ATOM 1376 CA LEU A 88 3.674 -1.996 5.576 1.00 0.00 C ATOM 1377 C LEU A 88 2.227 -1.788 6.011 1.00 0.00 C ATOM 1378 O LEU A 88 1.754 -0.655 6.110 1.00 0.00 O ATOM 1379 CB LEU A 88 4.619 -1.310 6.563 1.00 0.00 C ATOM 1380 CG LEU A 88 6.098 -1.290 6.173 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.808 -0.119 6.833 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.766 -2.604 6.551 1.00 0.00 C ATOM 0 H LEU A 88 3.938 -0.466 4.165 1.00 0.00 H new ATOM 0 HA LEU A 88 3.882 -3.066 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.286 -0.281 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.525 -1.806 7.529 1.00 0.00 H new ATOM 0 HG LEU A 88 6.168 -1.168 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.859 -0.121 6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.345 0.814 6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.729 -0.210 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.818 -2.573 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.686 -2.757 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.274 -3.425 6.030 1.00 0.00 H new ATOM 1394 N VAL A 89 1.528 -2.888 6.272 1.00 0.00 N ATOM 1395 CA VAL A 89 0.136 -2.826 6.700 1.00 0.00 C ATOM 1396 C VAL A 89 0.016 -3.001 8.209 1.00 0.00 C ATOM 1397 O VAL A 89 0.160 -4.108 8.729 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.715 -3.902 6.000 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.149 -3.864 6.508 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.671 -3.719 4.491 1.00 0.00 C ATOM 0 H VAL A 89 1.903 -3.833 6.194 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.237 -1.840 6.421 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.297 -4.880 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.735 -4.631 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.160 -4.049 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.581 -2.884 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.278 -4.488 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.062 -2.735 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.359 -3.802 4.144 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.247 -1.902 8.908 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.385 -1.933 10.359 1.00 0.00 C ATOM 1412 C ARG A 90 -1.653 -1.208 10.801 1.00 0.00 C ATOM 1413 O ARG A 90 -1.953 -0.115 10.322 1.00 0.00 O ATOM 1414 CB ARG A 90 0.837 -1.296 11.023 1.00 0.00 C ATOM 1415 CG ARG A 90 0.766 -1.281 12.541 1.00 0.00 C ATOM 1416 CD ARG A 90 1.708 -0.243 13.132 1.00 0.00 C ATOM 1417 NE ARG A 90 1.590 -0.161 14.585 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.168 0.784 15.317 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.900 1.724 14.735 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.014 0.792 16.635 1.00 0.00 N ATOM 0 H ARG A 90 -0.369 -0.978 8.493 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.457 -2.975 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.731 -1.838 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.944 -0.273 10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.255 -1.069 12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.021 -2.268 12.928 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.735 -0.492 12.865 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.493 0.732 12.695 1.00 0.00 H new ATOM 0 HE ARG A 90 1.033 -0.869 15.064 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.020 1.723 13.722 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.343 2.449 15.300 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.451 0.072 17.087 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.459 1.519 17.196 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.392 -1.824 11.716 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.628 -1.238 12.222 1.00 0.00 C ATOM 1436 C TRP A 91 -3.631 -1.203 13.746 1.00 0.00 C ATOM 1437 O TRP A 91 -3.152 -2.132 14.398 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.836 -2.027 11.715 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.874 -3.440 12.214 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.311 -3.867 13.436 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.457 -4.611 11.503 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.191 -5.232 13.527 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.670 -5.713 12.355 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.927 -4.836 10.230 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.369 -7.017 11.973 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.628 -6.132 9.853 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.851 -7.209 10.721 1.00 0.00 C ATOM 0 H TRP A 91 -2.157 -2.729 12.123 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.692 -0.214 11.854 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.749 -1.516 12.021 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.825 -2.034 10.625 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.694 -3.225 14.216 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.448 -5.797 14.337 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.754 -4.013 9.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.538 -7.848 12.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.215 -6.318 8.872 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.609 -8.210 10.396 1.00 0.00 H new