USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot -70:sc= -0.7 USER MOD Set 1.2: A 97 THR OG1 : rot -176:sc= 0.133 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 0.825 (180deg=-0.593) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -7.15! C(o=-7.2!,f=-11!) USER MOD Single : A 28 GLN :FLIP amide:sc= -2.79! C(o=-3.9!,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -80:sc= -1.21 USER MOD Single : A 48 MET CE :methyl -174:sc=-0.00723 (180deg=-0.0156) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.71 K(o=-2.7,f=-8.7!) USER MOD Single : A 54 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.64) USER MOD Single : A 56 MET CE :methyl -165:sc= -1.94! (180deg=-3.16!) USER MOD Single : A 57 TYR OH : rot 0:sc= -0.106 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.479 K(o=-0.48,f=-5.3!) USER MOD Single : A 78 ASN : amide:sc= -1.99! C(o=-2!,f=-2.8!) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.898 USER MOD Single : A 83 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 86 TYR OH : rot -106:sc= 1.45 USER MOD Single : A 88 SER OG : rot -120:sc= -0.714 USER MOD Single : A 93 LYS NZ :NH3+ 153:sc= -0.0354 (180deg=-0.878) USER MOD Single : A 95 SER OG : rot -40:sc= 0.321 USER MOD Single : A 96 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.23) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -8.081 -1.748 -1.096 1.00 0.00 N ATOM 84 CA VAL A 9 -7.416 -0.885 -2.058 1.00 0.00 C ATOM 85 C VAL A 9 -6.088 -0.403 -1.471 1.00 0.00 C ATOM 86 O VAL A 9 -6.072 0.383 -0.524 1.00 0.00 O ATOM 87 CB VAL A 9 -8.344 0.263 -2.460 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.541 1.475 -2.937 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.343 -0.188 -3.528 1.00 0.00 C ATOM 0 HA VAL A 9 -7.187 -1.435 -2.971 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.910 0.562 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.224 2.277 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.888 1.818 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.938 1.195 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.991 0.647 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.803 -0.526 -4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.948 -1.006 -3.138 1.00 0.00 H new ATOM 99 N ILE A 10 -5.005 -0.894 -2.057 1.00 0.00 N ATOM 100 CA ILE A 10 -3.676 -0.522 -1.604 1.00 0.00 C ATOM 101 C ILE A 10 -3.359 0.898 -2.076 1.00 0.00 C ATOM 102 O ILE A 10 -2.635 1.083 -3.054 1.00 0.00 O ATOM 103 CB ILE A 10 -2.647 -1.563 -2.050 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.967 -2.938 -1.460 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.226 -1.110 -1.712 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.103 -2.862 0.063 1.00 0.00 C ATOM 0 H ILE A 10 -5.022 -1.546 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.634 -0.512 -0.515 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.704 -1.657 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.893 -3.317 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.179 -3.643 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.515 -1.868 -2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.013 -0.169 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.136 -0.969 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.331 -3.852 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.168 -2.505 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.908 -2.174 0.323 1.00 0.00 H new ATOM 118 N ARG A 11 -3.916 1.864 -1.361 1.00 0.00 N ATOM 119 CA ARG A 11 -3.701 3.261 -1.695 1.00 0.00 C ATOM 120 C ARG A 11 -2.207 3.590 -1.670 1.00 0.00 C ATOM 121 O ARG A 11 -1.626 3.771 -0.601 1.00 0.00 O ATOM 122 CB ARG A 11 -4.435 4.181 -0.717 1.00 0.00 C ATOM 123 CG ARG A 11 -5.936 3.882 -0.705 1.00 0.00 C ATOM 124 CD ARG A 11 -6.660 4.753 0.324 1.00 0.00 C ATOM 125 NE ARG A 11 -8.099 4.409 0.355 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.910 4.661 1.391 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.428 5.261 2.488 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.203 4.314 1.331 1.00 0.00 N ATOM 0 H ARG A 11 -4.516 1.707 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.096 3.426 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.027 4.052 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.270 5.221 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.354 4.060 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.099 2.829 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.221 4.606 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.535 5.806 0.074 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.499 3.951 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.444 5.526 2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.045 5.453 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.570 3.858 0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.820 4.506 2.120 1.00 0.00 H new ATOM 142 N VAL A 12 -1.628 3.657 -2.859 1.00 0.00 N ATOM 143 CA VAL A 12 -0.213 3.961 -2.987 1.00 0.00 C ATOM 144 C VAL A 12 -0.042 5.444 -3.321 1.00 0.00 C ATOM 145 O VAL A 12 -0.497 5.905 -4.367 1.00 0.00 O ATOM 146 CB VAL A 12 0.429 3.037 -4.024 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.873 3.454 -4.310 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.359 1.576 -3.574 1.00 0.00 C ATOM 0 H VAL A 12 -2.113 3.506 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 12 0.303 3.779 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.136 3.129 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.306 2.781 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.888 4.474 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.455 3.404 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.822 0.940 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.888 1.461 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.683 1.285 -3.444 1.00 0.00 H new ATOM 158 N PHE A 13 0.615 6.151 -2.413 1.00 0.00 N ATOM 159 CA PHE A 13 0.852 7.572 -2.599 1.00 0.00 C ATOM 160 C PHE A 13 2.043 7.813 -3.528 1.00 0.00 C ATOM 161 O PHE A 13 3.101 7.210 -3.355 1.00 0.00 O ATOM 162 CB PHE A 13 1.168 8.156 -1.221 1.00 0.00 C ATOM 163 CG PHE A 13 -0.069 8.459 -0.374 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.173 7.672 -0.477 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.065 9.516 0.482 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.322 7.953 0.309 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.214 9.798 1.268 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.318 9.010 1.165 1.00 0.00 C ATOM 0 H PHE A 13 0.991 5.766 -1.546 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.024 8.040 -3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.804 7.457 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.741 9.074 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.176 6.833 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.812 10.141 0.564 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.199 7.328 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.211 10.638 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.192 9.224 1.763 1.00 0.00 H new ATOM 178 N ILE A 14 1.831 8.696 -4.493 1.00 0.00 N ATOM 179 CA ILE A 14 2.874 9.024 -5.449 1.00 0.00 C ATOM 180 C ILE A 14 2.924 10.541 -5.643 1.00 0.00 C ATOM 181 O ILE A 14 1.897 11.214 -5.567 1.00 0.00 O ATOM 182 CB ILE A 14 2.673 8.244 -6.750 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.357 8.634 -7.425 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.768 6.737 -6.506 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.610 9.273 -8.792 1.00 0.00 C ATOM 0 H ILE A 14 0.952 9.194 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 14 3.849 8.719 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 14 3.477 8.510 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.729 7.751 -7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.811 9.331 -6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.621 6.206 -7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.751 6.495 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.999 6.434 -5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.658 9.541 -9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.218 10.169 -8.668 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.135 8.565 -9.433 1.00 0.00 H new ATOM 197 N ALA A 15 4.128 11.035 -5.891 1.00 0.00 N ATOM 198 CA ALA A 15 4.325 12.460 -6.096 1.00 0.00 C ATOM 199 C ALA A 15 4.879 12.696 -7.502 1.00 0.00 C ATOM 200 O ALA A 15 6.088 12.827 -7.683 1.00 0.00 O ATOM 201 CB ALA A 15 5.246 13.011 -5.006 1.00 0.00 C ATOM 0 H ALA A 15 4.977 10.474 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 15 3.377 12.993 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.393 14.080 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.793 12.845 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.209 12.502 -5.051 1.00 0.00 H new ATOM 207 N SER A 16 3.967 12.744 -8.463 1.00 0.00 N ATOM 208 CA SER A 16 4.350 12.962 -9.847 1.00 0.00 C ATOM 209 C SER A 16 5.491 13.978 -9.921 1.00 0.00 C ATOM 210 O SER A 16 6.327 13.914 -10.821 1.00 0.00 O ATOM 211 CB SER A 16 3.158 13.441 -10.679 1.00 0.00 C ATOM 212 OG SER A 16 3.548 14.377 -11.681 1.00 0.00 O ATOM 0 H SER A 16 2.964 12.636 -8.310 1.00 0.00 H new ATOM 0 HA SER A 16 4.690 12.013 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.677 12.584 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.419 13.900 -10.023 1.00 0.00 H new ATOM 0 HG SER A 16 2.760 14.657 -12.191 1.00 0.00 H new ATOM 218 N SER A 17 5.490 14.893 -8.962 1.00 0.00 N ATOM 219 CA SER A 17 6.515 15.921 -8.907 1.00 0.00 C ATOM 220 C SER A 17 7.399 15.713 -7.676 1.00 0.00 C ATOM 221 O SER A 17 6.925 15.805 -6.545 1.00 0.00 O ATOM 222 CB SER A 17 5.892 17.319 -8.884 1.00 0.00 C ATOM 223 OG SER A 17 6.812 18.320 -9.310 1.00 0.00 O ATOM 0 H SER A 17 4.795 14.943 -8.217 1.00 0.00 H new ATOM 0 HA SER A 17 7.129 15.841 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.014 17.335 -9.530 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.550 17.547 -7.875 1.00 0.00 H new ATOM 0 HG SER A 17 6.376 19.197 -9.283 1.00 0.00 H new ATOM 229 N SER A 18 8.668 15.437 -7.938 1.00 0.00 N ATOM 230 CA SER A 18 9.623 15.215 -6.866 1.00 0.00 C ATOM 231 C SER A 18 11.025 15.018 -7.446 1.00 0.00 C ATOM 232 O SER A 18 11.274 14.048 -8.160 1.00 0.00 O ATOM 233 CB SER A 18 9.225 14.006 -6.016 1.00 0.00 C ATOM 234 OG SER A 18 9.012 14.360 -4.652 1.00 0.00 O ATOM 0 H SER A 18 9.057 15.362 -8.878 1.00 0.00 H new ATOM 0 HA SER A 18 9.624 16.094 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.316 13.561 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.006 13.248 -6.076 1.00 0.00 H new ATOM 0 HG SER A 18 8.758 13.562 -4.143 1.00 0.00 H new ATOM 240 N GLY A 19 11.903 15.954 -7.117 1.00 0.00 N ATOM 241 CA GLY A 19 13.274 15.895 -7.596 1.00 0.00 C ATOM 242 C GLY A 19 13.787 14.454 -7.614 1.00 0.00 C ATOM 243 O GLY A 19 14.016 13.885 -8.680 1.00 0.00 O ATOM 0 H GLY A 19 11.692 16.757 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.331 16.318 -8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.913 16.504 -6.957 1.00 0.00 H new ATOM 247 N PHE A 20 13.953 13.905 -6.419 1.00 0.00 N ATOM 248 CA PHE A 20 14.436 12.541 -6.284 1.00 0.00 C ATOM 249 C PHE A 20 13.757 11.616 -7.296 1.00 0.00 C ATOM 250 O PHE A 20 12.593 11.254 -7.128 1.00 0.00 O ATOM 251 CB PHE A 20 14.080 12.079 -4.869 1.00 0.00 C ATOM 252 CG PHE A 20 14.669 12.955 -3.762 1.00 0.00 C ATOM 253 CD1 PHE A 20 13.972 14.028 -3.300 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.889 12.661 -3.239 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.519 14.841 -2.273 1.00 0.00 C ATOM 256 CE2 PHE A 20 16.436 13.474 -2.211 1.00 0.00 C ATOM 257 CZ PHE A 20 15.739 14.547 -1.750 1.00 0.00 C ATOM 0 H PHE A 20 13.762 14.380 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 20 15.510 12.507 -6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.995 12.061 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.430 11.056 -4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.002 14.261 -3.715 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.442 11.809 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.966 15.693 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.405 13.240 -1.795 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.155 15.166 -0.968 1.00 0.00 H new ATOM 267 N VAL A 21 14.513 11.259 -8.323 1.00 0.00 N ATOM 268 CA VAL A 21 13.998 10.383 -9.362 1.00 0.00 C ATOM 269 C VAL A 21 13.852 8.967 -8.802 1.00 0.00 C ATOM 270 O VAL A 21 12.934 8.239 -9.178 1.00 0.00 O ATOM 271 CB VAL A 21 14.901 10.448 -10.596 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.082 9.484 -10.462 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.107 10.167 -11.872 1.00 0.00 C ATOM 0 H VAL A 21 15.478 11.560 -8.458 1.00 0.00 H new ATOM 0 HA VAL A 21 13.009 10.710 -9.682 1.00 0.00 H new ATOM 0 HB VAL A 21 15.300 11.460 -10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.708 9.550 -11.352 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.671 9.750 -9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.710 8.465 -10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.773 10.219 -12.734 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.666 9.172 -11.814 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.316 10.909 -11.979 1.00 0.00 H new ATOM 283 N ALA A 22 14.770 8.618 -7.913 1.00 0.00 N ATOM 284 CA ALA A 22 14.754 7.302 -7.298 1.00 0.00 C ATOM 285 C ALA A 22 13.337 6.987 -6.813 1.00 0.00 C ATOM 286 O ALA A 22 12.843 5.878 -7.008 1.00 0.00 O ATOM 287 CB ALA A 22 15.781 7.255 -6.165 1.00 0.00 C ATOM 0 H ALA A 22 15.530 9.224 -7.604 1.00 0.00 H new ATOM 0 HA ALA A 22 15.032 6.537 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.769 6.268 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.774 7.456 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.532 8.008 -5.417 1.00 0.00 H new ATOM 293 N ILE A 23 12.724 7.983 -6.191 1.00 0.00 N ATOM 294 CA ILE A 23 11.374 7.827 -5.677 1.00 0.00 C ATOM 295 C ILE A 23 10.474 7.267 -6.782 1.00 0.00 C ATOM 296 O ILE A 23 9.817 6.244 -6.593 1.00 0.00 O ATOM 297 CB ILE A 23 10.871 9.143 -5.082 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.679 9.529 -3.842 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.370 9.075 -4.791 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.265 10.908 -3.324 1.00 0.00 C ATOM 0 H ILE A 23 13.138 8.902 -6.031 1.00 0.00 H new ATOM 0 HA ILE A 23 11.359 7.108 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 23 11.020 9.931 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.531 8.784 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.742 9.531 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.038 10.023 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.828 8.881 -5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.173 8.272 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.855 11.158 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.437 11.655 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.207 10.895 -3.061 1.00 0.00 H new ATOM 312 N LYS A 24 10.474 7.963 -7.909 1.00 0.00 N ATOM 313 CA LYS A 24 9.666 7.548 -9.044 1.00 0.00 C ATOM 314 C LYS A 24 9.787 6.034 -9.225 1.00 0.00 C ATOM 315 O LYS A 24 8.806 5.307 -9.076 1.00 0.00 O ATOM 316 CB LYS A 24 10.043 8.349 -10.291 1.00 0.00 C ATOM 317 CG LYS A 24 9.054 9.491 -10.530 1.00 0.00 C ATOM 318 CD LYS A 24 8.908 10.361 -9.280 1.00 0.00 C ATOM 319 CE LYS A 24 9.313 11.808 -9.569 1.00 0.00 C ATOM 320 NZ LYS A 24 10.787 11.946 -9.554 1.00 0.00 N ATOM 0 H LYS A 24 11.020 8.811 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 24 8.613 7.764 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.049 8.753 -10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.060 7.690 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.395 10.103 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.082 9.083 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.876 10.331 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.528 9.959 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.923 12.114 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.872 12.471 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.041 12.947 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.180 11.388 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.177 11.600 -10.454 1.00 0.00 H new ATOM 334 N LYS A 25 10.999 5.603 -9.543 1.00 0.00 N ATOM 335 CA LYS A 25 11.261 4.189 -9.745 1.00 0.00 C ATOM 336 C LYS A 25 10.522 3.379 -8.678 1.00 0.00 C ATOM 337 O LYS A 25 9.748 2.479 -9.001 1.00 0.00 O ATOM 338 CB LYS A 25 12.768 3.923 -9.785 1.00 0.00 C ATOM 339 CG LYS A 25 13.381 4.439 -11.088 1.00 0.00 C ATOM 340 CD LYS A 25 14.309 3.393 -11.710 1.00 0.00 C ATOM 341 CE LYS A 25 15.639 4.021 -12.132 1.00 0.00 C ATOM 342 NZ LYS A 25 15.932 3.709 -13.548 1.00 0.00 N ATOM 0 H LYS A 25 11.810 6.209 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 25 10.878 3.866 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.249 4.408 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.955 2.853 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.588 4.691 -11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.938 5.355 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.492 2.592 -10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.825 2.941 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.599 5.101 -11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.442 3.647 -11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.838 4.142 -13.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.991 2.678 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.174 4.087 -14.151 1.00 0.00 H new ATOM 356 N LYS A 26 10.787 3.728 -7.427 1.00 0.00 N ATOM 357 CA LYS A 26 10.157 3.045 -6.310 1.00 0.00 C ATOM 358 C LYS A 26 8.645 2.992 -6.538 1.00 0.00 C ATOM 359 O LYS A 26 8.053 1.913 -6.548 1.00 0.00 O ATOM 360 CB LYS A 26 10.556 3.701 -4.987 1.00 0.00 C ATOM 361 CG LYS A 26 12.047 3.503 -4.705 1.00 0.00 C ATOM 362 CD LYS A 26 12.570 4.571 -3.743 1.00 0.00 C ATOM 363 CE LYS A 26 14.028 4.302 -3.364 1.00 0.00 C ATOM 364 NZ LYS A 26 14.322 4.842 -2.018 1.00 0.00 N ATOM 0 H LYS A 26 11.429 4.475 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 26 10.507 2.015 -6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.327 4.766 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.969 3.275 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.212 2.513 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.606 3.545 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.486 5.554 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.954 4.588 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.223 3.230 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.691 4.759 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.315 4.651 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.156 5.869 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.702 4.387 -1.318 1.00 0.00 H new ATOM 378 N GLN A 27 8.064 4.169 -6.717 1.00 0.00 N ATOM 379 CA GLN A 27 6.632 4.269 -6.944 1.00 0.00 C ATOM 380 C GLN A 27 6.179 3.210 -7.951 1.00 0.00 C ATOM 381 O GLN A 27 5.130 2.592 -7.777 1.00 0.00 O ATOM 382 CB GLN A 27 6.249 5.674 -7.416 1.00 0.00 C ATOM 383 CG GLN A 27 6.400 6.692 -6.284 1.00 0.00 C ATOM 384 CD GLN A 27 6.466 8.118 -6.835 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.152 8.982 -6.314 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.717 8.316 -7.916 1.00 0.00 N ATOM 0 H GLN A 27 8.558 5.061 -6.710 1.00 0.00 H new ATOM 0 HA GLN A 27 6.120 4.086 -5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.879 5.964 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.220 5.673 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.560 6.603 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.304 6.476 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.166 7.549 -8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.694 9.234 -8.359 1.00 0.00 H new ATOM 395 N GLN A 28 6.992 3.033 -8.982 1.00 0.00 N ATOM 396 CA GLN A 28 6.687 2.060 -10.017 1.00 0.00 C ATOM 397 C GLN A 28 6.821 0.639 -9.465 1.00 0.00 C ATOM 398 O GLN A 28 5.851 -0.117 -9.444 1.00 0.00 O ATOM 399 CB GLN A 28 7.585 2.260 -11.239 1.00 0.00 C ATOM 400 CG GLN A 28 7.613 3.729 -11.665 1.00 0.00 C ATOM 401 CD GLN A 28 8.987 4.115 -12.216 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.326 5.380 -11.988 1.00 0.00 O flip ATOM 403 NE2 GLN A 28 9.692 3.316 -12.810 1.00 0.00 N flip ATOM 0 H GLN A 28 7.862 3.547 -9.123 1.00 0.00 H new ATOM 0 HA GLN A 28 5.656 2.209 -10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.597 1.925 -11.010 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.225 1.645 -12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.850 3.906 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.368 4.363 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.370 2.358 -12.951 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.603 3.606 -13.166 1.00 0.00 H new ATOM 412 N ASP A 29 8.031 0.319 -9.030 1.00 0.00 N ATOM 413 CA ASP A 29 8.305 -0.998 -8.480 1.00 0.00 C ATOM 414 C ASP A 29 7.109 -1.453 -7.640 1.00 0.00 C ATOM 415 O ASP A 29 6.828 -2.647 -7.550 1.00 0.00 O ATOM 416 CB ASP A 29 9.537 -0.970 -7.573 1.00 0.00 C ATOM 417 CG ASP A 29 10.587 -2.040 -7.877 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.562 -2.552 -9.017 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.391 -2.322 -6.962 1.00 0.00 O ATOM 0 H ASP A 29 8.833 0.949 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 29 8.484 -1.681 -9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.006 0.011 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.211 -1.085 -6.539 1.00 0.00 H new ATOM 424 N VAL A 30 6.438 -0.477 -7.046 1.00 0.00 N ATOM 425 CA VAL A 30 5.280 -0.762 -6.216 1.00 0.00 C ATOM 426 C VAL A 30 4.118 -1.208 -7.106 1.00 0.00 C ATOM 427 O VAL A 30 3.957 -2.399 -7.371 1.00 0.00 O ATOM 428 CB VAL A 30 4.940 0.457 -5.356 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.628 0.244 -4.598 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.082 0.784 -4.393 1.00 0.00 C ATOM 0 H VAL A 30 6.674 0.512 -7.123 1.00 0.00 H new ATOM 0 HA VAL A 30 5.495 -1.579 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 30 4.808 1.310 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.409 1.125 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.819 0.082 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.720 -0.627 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.815 1.654 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.260 -0.068 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.987 0.999 -4.961 1.00 0.00 H new ATOM 440 N VAL A 31 3.340 -0.230 -7.544 1.00 0.00 N ATOM 441 CA VAL A 31 2.198 -0.507 -8.398 1.00 0.00 C ATOM 442 C VAL A 31 2.567 -1.609 -9.394 1.00 0.00 C ATOM 443 O VAL A 31 1.842 -2.593 -9.533 1.00 0.00 O ATOM 444 CB VAL A 31 1.728 0.780 -9.078 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.877 1.783 -9.207 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.105 0.483 -10.444 1.00 0.00 C ATOM 0 H VAL A 31 3.478 0.756 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 31 1.358 -0.871 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 31 0.959 1.229 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.516 2.689 -9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.257 2.030 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.677 1.345 -9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.779 1.415 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.844 -0.000 -11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.248 -0.178 -10.317 1.00 0.00 H new ATOM 456 N ARG A 32 3.694 -1.407 -10.060 1.00 0.00 N ATOM 457 CA ARG A 32 4.168 -2.371 -11.038 1.00 0.00 C ATOM 458 C ARG A 32 3.880 -3.796 -10.562 1.00 0.00 C ATOM 459 O ARG A 32 3.261 -4.581 -11.279 1.00 0.00 O ATOM 460 CB ARG A 32 5.671 -2.215 -11.281 1.00 0.00 C ATOM 461 CG ARG A 32 5.976 -0.906 -12.011 1.00 0.00 C ATOM 462 CD ARG A 32 6.146 -1.142 -13.513 1.00 0.00 C ATOM 463 NE ARG A 32 6.299 0.153 -14.215 1.00 0.00 N ATOM 464 CZ ARG A 32 5.276 0.955 -14.540 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.022 0.602 -14.230 1.00 0.00 N ATOM 466 NH2 ARG A 32 5.509 2.112 -15.177 1.00 0.00 N ATOM 0 H ARG A 32 4.293 -0.590 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 32 3.639 -2.183 -11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.201 -2.236 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.037 -3.057 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.169 -0.194 -11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.884 -0.462 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.019 -1.769 -13.694 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.282 -1.678 -13.905 1.00 0.00 H new ATOM 0 HE ARG A 32 7.241 0.453 -14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.845 -0.278 -13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.244 1.213 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.464 2.381 -15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.731 2.723 -15.425 1.00 0.00 H new ATOM 480 N PHE A 33 4.344 -4.087 -9.355 1.00 0.00 N ATOM 481 CA PHE A 33 4.144 -5.404 -8.775 1.00 0.00 C ATOM 482 C PHE A 33 2.654 -5.734 -8.665 1.00 0.00 C ATOM 483 O PHE A 33 2.223 -6.816 -9.061 1.00 0.00 O ATOM 484 CB PHE A 33 4.752 -5.371 -7.371 1.00 0.00 C ATOM 485 CG PHE A 33 4.775 -6.732 -6.671 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.623 -7.267 -6.185 1.00 0.00 C ATOM 487 CD2 PHE A 33 5.949 -7.406 -6.535 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.645 -8.529 -5.536 1.00 0.00 C ATOM 489 CE2 PHE A 33 5.971 -8.669 -5.886 1.00 0.00 C ATOM 490 CZ PHE A 33 4.819 -9.203 -5.400 1.00 0.00 C ATOM 0 H PHE A 33 4.857 -3.434 -8.764 1.00 0.00 H new ATOM 0 HA PHE A 33 4.611 -6.162 -9.403 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.771 -4.990 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.188 -4.668 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.691 -6.731 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.864 -6.981 -6.920 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.730 -8.954 -5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.902 -9.205 -5.779 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.836 -10.163 -4.906 1.00 0.00 H new ATOM 500 N LEU A 34 1.908 -4.782 -8.124 1.00 0.00 N ATOM 501 CA LEU A 34 0.475 -4.958 -7.957 1.00 0.00 C ATOM 502 C LEU A 34 -0.163 -5.237 -9.319 1.00 0.00 C ATOM 503 O LEU A 34 -0.926 -6.190 -9.468 1.00 0.00 O ATOM 504 CB LEU A 34 -0.131 -3.757 -7.228 1.00 0.00 C ATOM 505 CG LEU A 34 0.551 -3.352 -5.920 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.228 -1.901 -5.559 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.187 -4.318 -4.790 1.00 0.00 C ATOM 0 H LEU A 34 2.269 -3.886 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 34 0.269 -5.822 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.115 -2.901 -7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.178 -3.976 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 34 1.630 -3.415 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.725 -1.639 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.578 -1.242 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.850 -1.787 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.685 -4.008 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.892 -4.310 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.509 -5.325 -5.055 1.00 0.00 H new ATOM 519 N GLU A 35 0.174 -4.388 -10.279 1.00 0.00 N ATOM 520 CA GLU A 35 -0.356 -4.531 -11.625 1.00 0.00 C ATOM 521 C GLU A 35 0.043 -5.886 -12.211 1.00 0.00 C ATOM 522 O GLU A 35 -0.796 -6.601 -12.757 1.00 0.00 O ATOM 523 CB GLU A 35 0.113 -3.385 -12.523 1.00 0.00 C ATOM 524 CG GLU A 35 -0.620 -2.085 -12.182 1.00 0.00 C ATOM 525 CD GLU A 35 -2.084 -2.149 -12.623 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.855 -2.847 -11.930 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.398 -1.499 -13.644 1.00 0.00 O ATOM 0 H GLU A 35 0.807 -3.599 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.444 -4.486 -11.573 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.187 -3.242 -12.405 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.062 -3.642 -13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.567 -1.905 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.126 -1.246 -12.671 1.00 0.00 H new ATOM 534 N ALA A 36 1.323 -6.199 -12.079 1.00 0.00 N ATOM 535 CA ALA A 36 1.844 -7.456 -12.589 1.00 0.00 C ATOM 536 C ALA A 36 1.235 -8.614 -11.796 1.00 0.00 C ATOM 537 O ALA A 36 1.200 -9.747 -12.274 1.00 0.00 O ATOM 538 CB ALA A 36 3.372 -7.442 -12.519 1.00 0.00 C ATOM 0 H ALA A 36 2.016 -5.603 -11.626 1.00 0.00 H new ATOM 0 HA ALA A 36 1.567 -7.590 -13.635 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.762 -8.385 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.756 -6.619 -13.122 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.688 -7.312 -11.484 1.00 0.00 H new ATOM 544 N ASN A 37 0.770 -8.290 -10.599 1.00 0.00 N ATOM 545 CA ASN A 37 0.164 -9.289 -9.735 1.00 0.00 C ATOM 546 C ASN A 37 -1.360 -9.166 -9.811 1.00 0.00 C ATOM 547 O ASN A 37 -2.080 -9.921 -9.160 1.00 0.00 O ATOM 548 CB ASN A 37 0.582 -9.085 -8.278 1.00 0.00 C ATOM 549 CG ASN A 37 1.911 -9.785 -7.986 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.959 -10.915 -7.527 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.983 -9.054 -8.276 1.00 0.00 N ATOM 0 H ASN A 37 0.801 -7.349 -10.206 1.00 0.00 H new ATOM 0 HA ASN A 37 0.497 -10.271 -10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.674 -8.019 -8.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.191 -9.474 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.917 -9.432 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.872 -8.115 -8.658 1.00 0.00 H new ATOM 558 N LYS A 38 -1.805 -8.210 -10.613 1.00 0.00 N ATOM 559 CA LYS A 38 -3.229 -7.979 -10.783 1.00 0.00 C ATOM 560 C LYS A 38 -3.860 -7.687 -9.420 1.00 0.00 C ATOM 561 O LYS A 38 -4.987 -8.102 -9.151 1.00 0.00 O ATOM 562 CB LYS A 38 -3.878 -9.151 -11.522 1.00 0.00 C ATOM 563 CG LYS A 38 -3.515 -9.130 -13.008 1.00 0.00 C ATOM 564 CD LYS A 38 -4.410 -8.157 -13.778 1.00 0.00 C ATOM 565 CE LYS A 38 -5.540 -8.900 -14.493 1.00 0.00 C ATOM 566 NZ LYS A 38 -5.470 -8.668 -15.953 1.00 0.00 N ATOM 0 H LYS A 38 -1.204 -7.586 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.400 -7.103 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.552 -10.091 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.961 -9.103 -11.408 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.471 -8.841 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.618 -10.132 -13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.830 -7.423 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.814 -7.607 -14.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.470 -9.968 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.504 -8.563 -14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.244 -9.179 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.559 -7.650 -16.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.558 -9.011 -16.316 1.00 0.00 H new ATOM 580 N ILE A 39 -3.107 -6.974 -8.595 1.00 0.00 N ATOM 581 CA ILE A 39 -3.578 -6.621 -7.267 1.00 0.00 C ATOM 582 C ILE A 39 -4.338 -5.295 -7.335 1.00 0.00 C ATOM 583 O ILE A 39 -4.061 -4.461 -8.195 1.00 0.00 O ATOM 584 CB ILE A 39 -2.416 -6.614 -6.271 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.890 -8.030 -6.031 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.818 -5.923 -4.966 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.505 -7.998 -5.382 1.00 0.00 C ATOM 0 H ILE A 39 -2.173 -6.631 -8.821 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.278 -7.371 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.599 -6.037 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.583 -8.575 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.840 -8.568 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.975 -5.931 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.107 -4.893 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.659 -6.452 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.154 -9.018 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.191 -7.473 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.564 -7.480 -4.425 1.00 0.00 H new ATOM 599 N GLU A 40 -5.281 -5.143 -6.417 1.00 0.00 N ATOM 600 CA GLU A 40 -6.083 -3.932 -6.363 1.00 0.00 C ATOM 601 C GLU A 40 -5.347 -2.842 -5.581 1.00 0.00 C ATOM 602 O GLU A 40 -4.771 -3.111 -4.528 1.00 0.00 O ATOM 603 CB GLU A 40 -7.457 -4.212 -5.751 1.00 0.00 C ATOM 604 CG GLU A 40 -7.399 -4.159 -4.223 1.00 0.00 C ATOM 605 CD GLU A 40 -8.406 -5.129 -3.602 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.557 -5.140 -4.088 1.00 0.00 O ATOM 607 OE2 GLU A 40 -8.001 -5.838 -2.655 1.00 0.00 O ATOM 0 H GLU A 40 -5.508 -5.837 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.240 -3.578 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.178 -3.480 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.808 -5.193 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.393 -4.408 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.608 -3.145 -3.883 1.00 0.00 H new ATOM 614 N PHE A 41 -5.390 -1.636 -6.127 1.00 0.00 N ATOM 615 CA PHE A 41 -4.734 -0.504 -5.494 1.00 0.00 C ATOM 616 C PHE A 41 -5.072 0.801 -6.217 1.00 0.00 C ATOM 617 O PHE A 41 -5.802 0.794 -7.207 1.00 0.00 O ATOM 618 CB PHE A 41 -3.227 -0.750 -5.589 1.00 0.00 C ATOM 619 CG PHE A 41 -2.655 -0.572 -6.997 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.230 0.653 -7.408 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.571 -1.638 -7.837 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.700 0.819 -8.715 1.00 0.00 C ATOM 623 CE2 PHE A 41 -2.040 -1.472 -9.144 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.616 -0.247 -9.555 1.00 0.00 C ATOM 0 H PHE A 41 -5.869 -1.418 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.067 -0.412 -4.460 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.714 -0.068 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.012 -1.762 -5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.296 1.499 -6.740 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.908 -2.611 -7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.364 1.792 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.973 -2.319 -9.811 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.212 -0.121 -10.549 1.00 0.00 H new ATOM 634 N GLU A 42 -4.526 1.889 -5.694 1.00 0.00 N ATOM 635 CA GLU A 42 -4.761 3.198 -6.278 1.00 0.00 C ATOM 636 C GLU A 42 -3.551 4.106 -6.048 1.00 0.00 C ATOM 637 O GLU A 42 -2.931 4.064 -4.987 1.00 0.00 O ATOM 638 CB GLU A 42 -6.035 3.830 -5.713 1.00 0.00 C ATOM 639 CG GLU A 42 -5.870 4.164 -4.229 1.00 0.00 C ATOM 640 CD GLU A 42 -6.960 5.131 -3.761 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.813 6.337 -4.053 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.916 4.641 -3.121 1.00 0.00 O ATOM 0 H GLU A 42 -3.922 1.891 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.901 3.075 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.273 4.737 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.874 3.146 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.913 3.248 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.889 4.607 -4.059 1.00 0.00 H new ATOM 649 N GLU A 43 -3.251 4.906 -7.061 1.00 0.00 N ATOM 650 CA GLU A 43 -2.127 5.823 -6.983 1.00 0.00 C ATOM 651 C GLU A 43 -2.586 7.183 -6.455 1.00 0.00 C ATOM 652 O GLU A 43 -2.970 8.057 -7.230 1.00 0.00 O ATOM 653 CB GLU A 43 -1.441 5.967 -8.344 1.00 0.00 C ATOM 654 CG GLU A 43 -0.509 4.784 -8.615 1.00 0.00 C ATOM 655 CD GLU A 43 -0.660 4.286 -10.054 1.00 0.00 C ATOM 656 OE1 GLU A 43 -1.783 3.850 -10.388 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.350 4.352 -10.787 1.00 0.00 O ATOM 0 H GLU A 43 -3.767 4.938 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.397 5.412 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.194 6.029 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.873 6.897 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.524 5.082 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.732 3.974 -7.921 1.00 0.00 H new ATOM 664 N VAL A 44 -2.533 7.319 -5.138 1.00 0.00 N ATOM 665 CA VAL A 44 -2.939 8.558 -4.496 1.00 0.00 C ATOM 666 C VAL A 44 -1.930 9.657 -4.835 1.00 0.00 C ATOM 667 O VAL A 44 -0.959 9.858 -4.108 1.00 0.00 O ATOM 668 CB VAL A 44 -3.102 8.339 -2.991 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.535 9.630 -2.293 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.086 7.203 -2.705 1.00 0.00 C ATOM 0 H VAL A 44 -2.215 6.591 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.910 8.882 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.132 8.050 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.644 9.447 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.782 10.401 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.489 9.963 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.183 7.068 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.059 7.449 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.717 6.281 -3.154 1.00 0.00 H new ATOM 680 N ASP A 45 -2.196 10.340 -5.939 1.00 0.00 N ATOM 681 CA ASP A 45 -1.323 11.413 -6.383 1.00 0.00 C ATOM 682 C ASP A 45 -1.255 12.491 -5.299 1.00 0.00 C ATOM 683 O ASP A 45 -2.137 13.343 -5.210 1.00 0.00 O ATOM 684 CB ASP A 45 -1.855 12.063 -7.662 1.00 0.00 C ATOM 685 CG ASP A 45 -0.916 13.082 -8.310 1.00 0.00 C ATOM 686 OD1 ASP A 45 -0.086 13.644 -7.562 1.00 0.00 O ATOM 687 OD2 ASP A 45 -1.048 13.275 -9.537 1.00 0.00 O ATOM 0 H ASP A 45 -3.003 10.171 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.338 10.988 -6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.071 11.278 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.800 12.556 -7.435 1.00 0.00 H new ATOM 692 N ILE A 46 -0.199 12.417 -4.502 1.00 0.00 N ATOM 693 CA ILE A 46 -0.004 13.375 -3.428 1.00 0.00 C ATOM 694 C ILE A 46 0.585 14.665 -4.001 1.00 0.00 C ATOM 695 O ILE A 46 0.553 15.709 -3.351 1.00 0.00 O ATOM 696 CB ILE A 46 0.837 12.760 -2.307 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.159 12.213 -2.851 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.044 11.694 -1.548 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.214 12.131 -1.746 1.00 0.00 C ATOM 0 H ILE A 46 0.530 11.708 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.959 13.635 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 46 1.083 13.546 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.999 11.224 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.519 12.855 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.665 11.273 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.846 12.146 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.253 10.903 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.144 11.739 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.390 13.126 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.861 11.470 -0.955 1.00 0.00 H new ATOM 711 N THR A 47 1.110 14.551 -5.213 1.00 0.00 N ATOM 712 CA THR A 47 1.705 15.696 -5.881 1.00 0.00 C ATOM 713 C THR A 47 0.621 16.685 -6.313 1.00 0.00 C ATOM 714 O THR A 47 0.791 17.896 -6.181 1.00 0.00 O ATOM 715 CB THR A 47 2.552 15.176 -7.044 1.00 0.00 C ATOM 716 OG1 THR A 47 3.888 15.226 -6.551 1.00 0.00 O ATOM 717 CG2 THR A 47 2.559 16.134 -8.237 1.00 0.00 C ATOM 0 H THR A 47 1.135 13.684 -5.749 1.00 0.00 H new ATOM 0 HA THR A 47 2.357 16.252 -5.208 1.00 0.00 H new ATOM 0 HB THR A 47 2.175 14.204 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.227 16.143 -6.617 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.174 15.718 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.540 16.272 -8.599 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.967 17.096 -7.928 1.00 0.00 H new ATOM 725 N MET A 48 -0.471 16.132 -6.821 1.00 0.00 N ATOM 726 CA MET A 48 -1.584 16.950 -7.273 1.00 0.00 C ATOM 727 C MET A 48 -2.414 17.450 -6.089 1.00 0.00 C ATOM 728 O MET A 48 -2.673 18.646 -5.969 1.00 0.00 O ATOM 729 CB MET A 48 -2.473 16.130 -8.210 1.00 0.00 C ATOM 730 CG MET A 48 -1.890 16.093 -9.625 1.00 0.00 C ATOM 731 SD MET A 48 -1.988 17.712 -10.368 1.00 0.00 S ATOM 732 CE MET A 48 -0.250 18.067 -10.568 1.00 0.00 C ATOM 0 H MET A 48 -0.609 15.127 -6.930 1.00 0.00 H new ATOM 0 HA MET A 48 -1.183 17.815 -7.802 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.572 15.114 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.474 16.560 -8.236 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.852 15.762 -9.591 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.435 15.371 -10.233 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.126 19.090 -10.923 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.258 17.951 -9.610 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.181 17.377 -11.293 1.00 0.00 H new ATOM 742 N SER A 49 -2.808 16.508 -5.245 1.00 0.00 N ATOM 743 CA SER A 49 -3.604 16.838 -4.074 1.00 0.00 C ATOM 744 C SER A 49 -2.693 17.027 -2.859 1.00 0.00 C ATOM 745 O SER A 49 -1.996 16.099 -2.452 1.00 0.00 O ATOM 746 CB SER A 49 -4.646 15.754 -3.793 1.00 0.00 C ATOM 747 OG SER A 49 -5.528 15.563 -4.896 1.00 0.00 O ATOM 0 H SER A 49 -2.591 15.517 -5.348 1.00 0.00 H new ATOM 0 HA SER A 49 -4.134 17.770 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.141 14.815 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.224 16.027 -2.910 1.00 0.00 H new ATOM 0 HG SER A 49 -6.177 14.862 -4.678 1.00 0.00 H new ATOM 753 N GLU A 50 -2.730 18.234 -2.314 1.00 0.00 N ATOM 754 CA GLU A 50 -1.917 18.556 -1.154 1.00 0.00 C ATOM 755 C GLU A 50 -2.383 17.751 0.061 1.00 0.00 C ATOM 756 O GLU A 50 -1.583 17.077 0.708 1.00 0.00 O ATOM 757 CB GLU A 50 -1.949 20.058 -0.862 1.00 0.00 C ATOM 758 CG GLU A 50 -0.911 20.432 0.198 1.00 0.00 C ATOM 759 CD GLU A 50 -1.079 21.888 0.639 1.00 0.00 C ATOM 760 OE1 GLU A 50 -1.017 22.762 -0.253 1.00 0.00 O ATOM 761 OE2 GLU A 50 -1.265 22.094 1.858 1.00 0.00 O ATOM 0 H GLU A 50 -3.310 19.001 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.884 18.283 -1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.755 20.615 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.943 20.345 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.012 19.773 1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.092 20.282 -0.201 1.00 0.00 H new ATOM 768 N GLU A 51 -3.676 17.849 0.335 1.00 0.00 N ATOM 769 CA GLU A 51 -4.258 17.138 1.460 1.00 0.00 C ATOM 770 C GLU A 51 -3.649 15.739 1.578 1.00 0.00 C ATOM 771 O GLU A 51 -3.007 15.420 2.578 1.00 0.00 O ATOM 772 CB GLU A 51 -5.781 17.063 1.333 1.00 0.00 C ATOM 773 CG GLU A 51 -6.434 16.826 2.697 1.00 0.00 C ATOM 774 CD GLU A 51 -6.344 15.352 3.099 1.00 0.00 C ATOM 775 OE1 GLU A 51 -6.743 14.511 2.265 1.00 0.00 O ATOM 776 OE2 GLU A 51 -5.878 15.101 4.231 1.00 0.00 O ATOM 0 H GLU A 51 -4.336 18.410 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.028 17.691 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.160 17.989 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.053 16.258 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.944 17.443 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.479 17.134 2.662 1.00 0.00 H new ATOM 783 N GLN A 52 -3.871 14.943 0.543 1.00 0.00 N ATOM 784 CA GLN A 52 -3.352 13.586 0.518 1.00 0.00 C ATOM 785 C GLN A 52 -1.948 13.544 1.126 1.00 0.00 C ATOM 786 O GLN A 52 -1.695 12.782 2.058 1.00 0.00 O ATOM 787 CB GLN A 52 -3.349 13.026 -0.906 1.00 0.00 C ATOM 788 CG GLN A 52 -4.773 12.924 -1.457 1.00 0.00 C ATOM 789 CD GLN A 52 -5.604 11.927 -0.647 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.724 10.760 -0.983 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.169 12.450 0.438 1.00 0.00 N ATOM 0 H GLN A 52 -4.403 15.211 -0.285 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.007 12.956 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.750 13.668 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.881 12.042 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.248 13.905 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.741 12.613 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.028 13.435 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.743 11.866 1.046 1.00 0.00 H new ATOM 800 N ARG A 53 -1.073 14.371 0.573 1.00 0.00 N ATOM 801 CA ARG A 53 0.298 14.438 1.050 1.00 0.00 C ATOM 802 C ARG A 53 0.325 14.768 2.543 1.00 0.00 C ATOM 803 O ARG A 53 0.934 14.046 3.331 1.00 0.00 O ATOM 804 CB ARG A 53 1.096 15.496 0.285 1.00 0.00 C ATOM 805 CG ARG A 53 2.600 15.289 0.472 1.00 0.00 C ATOM 806 CD ARG A 53 3.394 16.048 -0.593 1.00 0.00 C ATOM 807 NE ARG A 53 4.511 16.786 0.038 1.00 0.00 N ATOM 808 CZ ARG A 53 4.360 17.908 0.756 1.00 0.00 C ATOM 809 NH1 ARG A 53 3.138 18.427 0.937 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.430 18.510 1.292 1.00 0.00 N ATOM 0 H ARG A 53 -1.287 15.000 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 53 0.756 13.463 0.882 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.848 15.448 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.816 16.490 0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.897 15.630 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.834 14.226 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.782 15.350 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.740 16.743 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 53 5.455 16.418 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.324 17.968 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.022 19.281 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.360 18.115 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.315 19.364 1.838 1.00 0.00 H new ATOM 824 N GLN A 54 -0.341 15.860 2.887 1.00 0.00 N ATOM 825 CA GLN A 54 -0.401 16.295 4.272 1.00 0.00 C ATOM 826 C GLN A 54 -0.806 15.130 5.178 1.00 0.00 C ATOM 827 O GLN A 54 -0.201 14.916 6.228 1.00 0.00 O ATOM 828 CB GLN A 54 -1.360 17.476 4.435 1.00 0.00 C ATOM 829 CG GLN A 54 -0.711 18.779 3.965 1.00 0.00 C ATOM 830 CD GLN A 54 0.626 19.011 4.671 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.689 19.384 5.831 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.689 18.771 3.908 1.00 0.00 N ATOM 0 H GLN A 54 -0.844 16.457 2.230 1.00 0.00 H new ATOM 0 HA GLN A 54 0.592 16.632 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.270 17.292 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.654 17.569 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.556 18.744 2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.381 19.615 4.163 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.565 18.461 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.628 18.897 4.287 1.00 0.00 H new ATOM 841 N TRP A 55 -1.826 14.408 4.738 1.00 0.00 N ATOM 842 CA TRP A 55 -2.318 13.270 5.496 1.00 0.00 C ATOM 843 C TRP A 55 -1.135 12.344 5.782 1.00 0.00 C ATOM 844 O TRP A 55 -0.830 12.059 6.939 1.00 0.00 O ATOM 845 CB TRP A 55 -3.460 12.571 4.755 1.00 0.00 C ATOM 846 CG TRP A 55 -4.160 11.484 5.574 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.277 11.594 6.306 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.742 10.110 5.715 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.608 10.397 6.906 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.645 9.465 6.535 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.637 9.434 5.167 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.536 8.113 6.882 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.543 8.084 5.523 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.443 7.420 6.347 1.00 0.00 C ATOM 0 H TRP A 55 -2.325 14.589 3.867 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.743 13.594 6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.196 13.317 4.456 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.068 12.126 3.840 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -5.847 12.505 6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.412 10.227 7.511 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -1.918 9.918 4.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.256 7.631 7.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.712 7.518 5.129 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.300 6.374 6.574 1.00 0.00 H new ATOM 865 N MET A 56 -0.499 11.900 4.707 1.00 0.00 N ATOM 866 CA MET A 56 0.645 11.012 4.828 1.00 0.00 C ATOM 867 C MET A 56 1.619 11.515 5.896 1.00 0.00 C ATOM 868 O MET A 56 2.013 10.762 6.786 1.00 0.00 O ATOM 869 CB MET A 56 1.366 10.922 3.482 1.00 0.00 C ATOM 870 CG MET A 56 2.336 9.739 3.458 1.00 0.00 C ATOM 871 SD MET A 56 4.020 10.331 3.497 1.00 0.00 S ATOM 872 CE MET A 56 3.993 11.437 2.097 1.00 0.00 C ATOM 0 H MET A 56 -0.754 12.139 3.749 1.00 0.00 H new ATOM 0 HA MET A 56 0.286 10.026 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.635 10.814 2.680 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.911 11.847 3.294 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.150 9.088 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.172 9.142 2.561 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.015 11.688 1.812 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.491 10.952 1.260 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.456 12.348 2.363 1.00 0.00 H new ATOM 882 N TYR A 57 1.979 12.784 5.772 1.00 0.00 N ATOM 883 CA TYR A 57 2.900 13.395 6.716 1.00 0.00 C ATOM 884 C TYR A 57 2.377 13.274 8.149 1.00 0.00 C ATOM 885 O TYR A 57 3.130 13.455 9.105 1.00 0.00 O ATOM 886 CB TYR A 57 2.971 14.876 6.335 1.00 0.00 C ATOM 887 CG TYR A 57 3.922 15.175 5.174 1.00 0.00 C ATOM 888 CD1 TYR A 57 4.112 14.238 4.179 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.590 16.381 5.122 1.00 0.00 C ATOM 890 CE1 TYR A 57 5.006 14.519 3.086 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.484 16.663 4.030 1.00 0.00 C ATOM 892 CZ TYR A 57 5.648 15.718 3.066 1.00 0.00 C ATOM 893 OH TYR A 57 6.493 15.983 2.034 1.00 0.00 O ATOM 0 H TYR A 57 1.650 13.405 5.033 1.00 0.00 H new ATOM 0 HA TYR A 57 3.873 12.905 6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.971 15.221 6.070 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.286 15.450 7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.590 13.293 4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.442 17.114 5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.163 13.795 2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.012 17.603 3.977 1.00 0.00 H new ATOM 0 HH TYR A 57 6.512 15.218 1.422 1.00 0.00 H new ATOM 903 N LYS A 58 1.092 12.968 8.252 1.00 0.00 N ATOM 904 CA LYS A 58 0.461 12.820 9.552 1.00 0.00 C ATOM 905 C LYS A 58 0.368 11.334 9.904 1.00 0.00 C ATOM 906 O LYS A 58 0.097 10.979 11.050 1.00 0.00 O ATOM 907 CB LYS A 58 -0.887 13.543 9.578 1.00 0.00 C ATOM 908 CG LYS A 58 -0.723 15.024 9.229 1.00 0.00 C ATOM 909 CD LYS A 58 -1.483 15.908 10.220 1.00 0.00 C ATOM 910 CE LYS A 58 -1.815 17.266 9.599 1.00 0.00 C ATOM 911 NZ LYS A 58 -1.985 18.291 10.653 1.00 0.00 N ATOM 0 H LYS A 58 0.471 12.819 7.457 1.00 0.00 H new ATOM 0 HA LYS A 58 1.066 13.293 10.325 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.570 13.073 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.336 13.446 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.334 15.288 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.089 15.206 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.403 15.410 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.883 16.052 11.119 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.019 17.565 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.728 17.189 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.210 19.207 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.760 18.011 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.104 18.376 11.200 1.00 0.00 H new ATOM 925 N ASN A 59 0.599 10.505 8.896 1.00 0.00 N ATOM 926 CA ASN A 59 0.546 9.065 9.084 1.00 0.00 C ATOM 927 C ASN A 59 1.912 8.461 8.754 1.00 0.00 C ATOM 928 O ASN A 59 1.998 7.472 8.027 1.00 0.00 O ATOM 929 CB ASN A 59 -0.491 8.427 8.157 1.00 0.00 C ATOM 930 CG ASN A 59 -1.902 8.908 8.499 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.807 8.130 8.752 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.039 10.231 8.491 1.00 0.00 N ATOM 0 H ASN A 59 0.823 10.803 7.947 1.00 0.00 H new ATOM 0 HA ASN A 59 0.271 8.870 10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.260 8.675 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.442 7.342 8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.943 10.651 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.240 10.825 8.271 1.00 0.00 H new ATOM 939 N VAL A 60 2.946 9.081 9.303 1.00 0.00 N ATOM 940 CA VAL A 60 4.304 8.616 9.075 1.00 0.00 C ATOM 941 C VAL A 60 5.207 9.121 10.203 1.00 0.00 C ATOM 942 O VAL A 60 5.387 10.327 10.365 1.00 0.00 O ATOM 943 CB VAL A 60 4.780 9.051 7.688 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.274 8.772 7.508 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.960 8.372 6.589 1.00 0.00 C ATOM 0 H VAL A 60 2.871 9.901 9.905 1.00 0.00 H new ATOM 0 HA VAL A 60 4.343 7.527 9.090 1.00 0.00 H new ATOM 0 HB VAL A 60 4.627 10.127 7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.586 9.091 6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.840 9.322 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.461 7.704 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.319 8.699 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.066 7.290 6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.910 8.643 6.699 1.00 0.00 H new ATOM 955 N PRO A 61 5.764 8.148 10.972 1.00 0.00 N ATOM 956 CA PRO A 61 6.644 8.481 12.079 1.00 0.00 C ATOM 957 C PRO A 61 8.020 8.919 11.574 1.00 0.00 C ATOM 958 O PRO A 61 8.325 8.777 10.390 1.00 0.00 O ATOM 959 CB PRO A 61 6.697 7.225 12.932 1.00 0.00 C ATOM 960 CG PRO A 61 6.224 6.092 12.035 1.00 0.00 C ATOM 961 CD PRO A 61 5.573 6.710 10.808 1.00 0.00 C ATOM 0 HA PRO A 61 6.282 9.328 12.663 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.709 7.041 13.293 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.058 7.321 13.809 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.063 5.460 11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.514 5.457 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.038 6.351 9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.515 6.455 10.750 1.00 0.00 H new ATOM 969 N PRO A 62 8.836 9.456 12.520 1.00 0.00 N ATOM 970 CA PRO A 62 10.173 9.915 12.183 1.00 0.00 C ATOM 971 C PRO A 62 11.124 8.733 11.983 1.00 0.00 C ATOM 972 O PRO A 62 12.088 8.829 11.225 1.00 0.00 O ATOM 973 CB PRO A 62 10.581 10.818 13.335 1.00 0.00 C ATOM 974 CG PRO A 62 9.657 10.465 14.489 1.00 0.00 C ATOM 975 CD PRO A 62 8.509 9.639 13.931 1.00 0.00 C ATOM 0 HA PRO A 62 10.206 10.458 11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.624 10.657 13.607 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.481 11.869 13.062 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.196 9.903 15.252 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.280 11.369 14.966 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.423 8.682 14.445 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.555 10.153 14.053 1.00 0.00 H new ATOM 983 N GLU A 63 10.820 7.646 12.677 1.00 0.00 N ATOM 984 CA GLU A 63 11.636 6.448 12.585 1.00 0.00 C ATOM 985 C GLU A 63 11.482 5.805 11.206 1.00 0.00 C ATOM 986 O GLU A 63 12.361 5.070 10.757 1.00 0.00 O ATOM 987 CB GLU A 63 11.281 5.456 13.695 1.00 0.00 C ATOM 988 CG GLU A 63 10.148 4.526 13.257 1.00 0.00 C ATOM 989 CD GLU A 63 9.559 3.778 14.455 1.00 0.00 C ATOM 990 OE1 GLU A 63 9.079 4.472 15.377 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.602 2.529 14.421 1.00 0.00 O ATOM 0 H GLU A 63 10.020 7.570 13.305 1.00 0.00 H new ATOM 0 HA GLU A 63 12.680 6.733 12.717 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.160 4.867 13.956 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.984 5.999 14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.367 5.105 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.522 3.810 12.525 1.00 0.00 H new ATOM 998 N LYS A 64 10.359 6.104 10.571 1.00 0.00 N ATOM 999 CA LYS A 64 10.078 5.564 9.251 1.00 0.00 C ATOM 1000 C LYS A 64 10.515 6.574 8.188 1.00 0.00 C ATOM 1001 O LYS A 64 10.933 6.191 7.097 1.00 0.00 O ATOM 1002 CB LYS A 64 8.608 5.154 9.141 1.00 0.00 C ATOM 1003 CG LYS A 64 8.290 3.997 10.091 1.00 0.00 C ATOM 1004 CD LYS A 64 8.940 2.698 9.610 1.00 0.00 C ATOM 1005 CE LYS A 64 8.256 1.479 10.232 1.00 0.00 C ATOM 1006 NZ LYS A 64 9.202 0.738 11.096 1.00 0.00 N ATOM 0 H LYS A 64 9.632 6.714 10.946 1.00 0.00 H new ATOM 0 HA LYS A 64 10.653 4.653 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.970 6.007 9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.384 4.860 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.646 4.236 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.210 3.864 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.880 2.638 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.998 2.698 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.393 1.798 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.883 0.823 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.721 -0.086 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.012 0.417 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.538 1.362 11.858 1.00 0.00 H new ATOM 1020 N LYS A 65 10.404 7.846 8.544 1.00 0.00 N ATOM 1021 CA LYS A 65 10.783 8.914 7.635 1.00 0.00 C ATOM 1022 C LYS A 65 12.053 8.510 6.882 1.00 0.00 C ATOM 1023 O LYS A 65 13.093 8.274 7.495 1.00 0.00 O ATOM 1024 CB LYS A 65 10.909 10.239 8.388 1.00 0.00 C ATOM 1025 CG LYS A 65 9.566 10.969 8.443 1.00 0.00 C ATOM 1026 CD LYS A 65 9.696 12.303 9.180 1.00 0.00 C ATOM 1027 CE LYS A 65 8.522 12.518 10.137 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.768 13.691 11.005 1.00 0.00 N ATOM 0 H LYS A 65 10.057 8.161 9.450 1.00 0.00 H new ATOM 0 HA LYS A 65 10.006 9.072 6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.267 10.053 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.650 10.870 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.201 11.143 7.431 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.828 10.343 8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.633 12.325 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.735 13.119 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.604 12.665 9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.378 11.628 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.961 13.822 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.633 13.536 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.883 14.541 10.416 1.00 0.00 H new ATOM 1042 N PRO A 66 11.923 8.443 5.530 1.00 0.00 N ATOM 1043 CA PRO A 66 13.047 8.072 4.688 1.00 0.00 C ATOM 1044 C PRO A 66 14.046 9.225 4.569 1.00 0.00 C ATOM 1045 O PRO A 66 13.690 10.384 4.776 1.00 0.00 O ATOM 1046 CB PRO A 66 12.428 7.682 3.355 1.00 0.00 C ATOM 1047 CG PRO A 66 11.034 8.289 3.349 1.00 0.00 C ATOM 1048 CD PRO A 66 10.706 8.716 4.771 1.00 0.00 C ATOM 0 HA PRO A 66 13.627 7.246 5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.022 8.060 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.383 6.598 3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.993 9.144 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.303 7.564 2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.440 9.772 4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.858 8.157 5.167 1.00 0.00 H new ATOM 1094 N ASN A 70 11.010 15.446 5.780 1.00 0.00 N ATOM 1095 CA ASN A 70 9.630 14.999 5.706 1.00 0.00 C ATOM 1096 C ASN A 70 9.575 13.640 5.006 1.00 0.00 C ATOM 1097 O ASN A 70 10.539 13.230 4.361 1.00 0.00 O ATOM 1098 CB ASN A 70 8.776 15.980 4.901 1.00 0.00 C ATOM 1099 CG ASN A 70 9.360 17.393 4.959 1.00 0.00 C ATOM 1100 OD1 ASN A 70 10.090 17.828 4.084 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.000 18.083 6.038 1.00 0.00 N ATOM 0 HA ASN A 70 9.242 14.933 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.717 15.650 3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.758 15.987 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.338 19.036 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.386 17.659 6.733 1.00 0.00 H new ATOM 1108 N PRO A 71 8.407 12.960 5.161 1.00 0.00 N ATOM 1109 CA PRO A 71 8.214 11.656 4.552 1.00 0.00 C ATOM 1110 C PRO A 71 7.980 11.783 3.045 1.00 0.00 C ATOM 1111 O PRO A 71 7.200 12.626 2.604 1.00 0.00 O ATOM 1112 CB PRO A 71 7.030 11.049 5.287 1.00 0.00 C ATOM 1113 CG PRO A 71 6.316 12.212 5.957 1.00 0.00 C ATOM 1114 CD PRO A 71 7.244 13.414 5.918 1.00 0.00 C ATOM 0 HA PRO A 71 9.092 11.017 4.642 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.366 10.529 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.361 10.317 6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.382 12.434 5.441 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.060 11.961 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.767 14.267 5.436 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.524 13.731 6.923 1.00 0.00 H new ATOM 1122 N LEU A 72 8.669 10.934 2.297 1.00 0.00 N ATOM 1123 CA LEU A 72 8.546 10.941 0.850 1.00 0.00 C ATOM 1124 C LEU A 72 7.983 9.597 0.383 1.00 0.00 C ATOM 1125 O LEU A 72 8.072 8.601 1.099 1.00 0.00 O ATOM 1126 CB LEU A 72 9.882 11.307 0.200 1.00 0.00 C ATOM 1127 CG LEU A 72 10.445 12.685 0.555 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.928 12.781 0.192 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.622 13.798 -0.097 1.00 0.00 C ATOM 0 H LEU A 72 9.315 10.236 2.667 1.00 0.00 H new ATOM 0 HA LEU A 72 7.842 11.710 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.618 10.553 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.764 11.252 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 72 10.368 12.818 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.304 13.770 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.487 12.023 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.052 12.618 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.043 14.767 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.644 13.680 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.591 13.741 0.253 1.00 0.00 H new ATOM 1141 N PRO A 73 7.402 9.613 -0.846 1.00 0.00 N ATOM 1142 CA PRO A 73 6.824 8.408 -1.416 1.00 0.00 C ATOM 1143 C PRO A 73 7.917 7.456 -1.908 1.00 0.00 C ATOM 1144 O PRO A 73 9.087 7.830 -1.973 1.00 0.00 O ATOM 1145 CB PRO A 73 5.916 8.897 -2.533 1.00 0.00 C ATOM 1146 CG PRO A 73 6.372 10.312 -2.851 1.00 0.00 C ATOM 1147 CD PRO A 73 7.278 10.775 -1.722 1.00 0.00 C ATOM 0 HA PRO A 73 6.259 7.827 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.995 8.255 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.872 8.884 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.904 10.337 -3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.514 10.977 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.250 11.092 -2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.848 11.626 -1.193 1.00 0.00 H new ATOM 1155 N PRO A 74 7.485 6.213 -2.250 1.00 0.00 N ATOM 1156 CA PRO A 74 6.082 5.852 -2.142 1.00 0.00 C ATOM 1157 C PRO A 74 5.684 5.627 -0.682 1.00 0.00 C ATOM 1158 O PRO A 74 6.543 5.444 0.178 1.00 0.00 O ATOM 1159 CB PRO A 74 5.929 4.606 -2.999 1.00 0.00 C ATOM 1160 CG PRO A 74 7.332 4.048 -3.177 1.00 0.00 C ATOM 1161 CD PRO A 74 8.318 5.121 -2.745 1.00 0.00 C ATOM 0 HA PRO A 74 5.417 6.642 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.277 3.878 -2.516 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.479 4.847 -3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.463 3.146 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.503 3.769 -4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.990 4.752 -1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.941 5.445 -3.579 1.00 0.00 H new ATOM 1169 N GLN A 75 4.380 5.647 -0.448 1.00 0.00 N ATOM 1170 CA GLN A 75 3.857 5.448 0.893 1.00 0.00 C ATOM 1171 C GLN A 75 2.586 4.597 0.846 1.00 0.00 C ATOM 1172 O GLN A 75 1.487 5.104 1.062 1.00 0.00 O ATOM 1173 CB GLN A 75 3.595 6.787 1.585 1.00 0.00 C ATOM 1174 CG GLN A 75 4.903 7.542 1.831 1.00 0.00 C ATOM 1175 CD GLN A 75 5.413 7.306 3.254 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.676 6.927 4.150 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.711 7.550 3.412 1.00 0.00 N ATOM 0 H GLN A 75 3.670 5.798 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 75 4.607 4.915 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.930 7.394 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.085 6.617 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.655 7.217 1.113 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.747 8.609 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.271 7.865 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.147 7.422 4.325 1.00 0.00 H new ATOM 1186 N ILE A 76 2.779 3.317 0.563 1.00 0.00 N ATOM 1187 CA ILE A 76 1.663 2.391 0.485 1.00 0.00 C ATOM 1188 C ILE A 76 0.791 2.544 1.733 1.00 0.00 C ATOM 1189 O ILE A 76 1.306 2.697 2.840 1.00 0.00 O ATOM 1190 CB ILE A 76 2.165 0.964 0.257 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.966 0.866 -1.043 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.008 -0.037 0.293 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.435 0.545 -0.758 1.00 0.00 C ATOM 0 H ILE A 76 3.692 2.900 0.385 1.00 0.00 H new ATOM 0 HA ILE A 76 1.034 2.624 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 76 2.840 0.705 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.538 0.093 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.895 1.806 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.392 -1.044 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.517 0.009 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.289 0.209 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.982 0.481 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.866 1.333 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.504 -0.407 -0.232 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.515 2.497 1.514 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.463 2.628 2.607 1.00 0.00 C ATOM 1207 C PHE A 77 -2.727 1.809 2.338 1.00 0.00 C ATOM 1208 O PHE A 77 -3.521 2.155 1.465 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.839 4.109 2.698 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.884 4.941 3.556 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.770 4.687 4.887 1.00 0.00 C ATOM 1212 CD2 PHE A 77 -0.150 5.935 2.988 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.116 5.460 5.684 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.735 6.708 3.785 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.850 6.454 5.116 1.00 0.00 C ATOM 0 H PHE A 77 -0.939 2.370 0.595 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.016 2.264 3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.867 4.529 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.846 4.193 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.353 3.898 5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.240 6.136 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.207 5.258 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.317 7.498 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.524 7.041 5.722 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.874 0.739 3.105 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.028 -0.133 2.961 1.00 0.00 C ATOM 1227 C ASN A 78 -5.218 0.477 3.704 1.00 0.00 C ATOM 1228 O ASN A 78 -5.455 0.160 4.869 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.753 -1.514 3.559 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.885 -2.489 3.230 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.039 -2.277 3.565 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.493 -3.566 2.557 1.00 0.00 N ATOM 0 H ASN A 78 -2.213 0.456 3.828 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.241 -0.238 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.811 -1.901 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.643 -1.431 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.174 -4.276 2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.511 -3.682 2.308 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.935 1.341 3.001 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.094 1.998 3.579 1.00 0.00 C ATOM 1241 C GLY A 79 -6.714 2.766 4.847 1.00 0.00 C ATOM 1242 O GLY A 79 -7.302 2.553 5.906 1.00 0.00 O ATOM 0 H GLY A 79 -5.735 1.601 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.529 2.683 2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.857 1.256 3.814 1.00 0.00 H new ATOM 1246 N ASP A 80 -5.732 3.643 4.696 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.266 4.444 5.816 1.00 0.00 C ATOM 1248 C ASP A 80 -4.213 3.656 6.597 1.00 0.00 C ATOM 1249 O ASP A 80 -3.228 4.225 7.066 1.00 0.00 O ATOM 1250 CB ASP A 80 -6.414 4.776 6.771 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.751 5.084 6.093 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.727 5.872 5.123 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.767 4.525 6.561 1.00 0.00 O ATOM 0 H ASP A 80 -5.246 3.816 3.816 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.849 5.369 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.554 3.937 7.452 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.125 5.634 7.378 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.457 2.359 6.714 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.542 1.487 7.431 1.00 0.00 C ATOM 1260 C ARG A 81 -2.121 1.647 6.887 1.00 0.00 C ATOM 1261 O ARG A 81 -1.830 1.229 5.768 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.966 0.022 7.308 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.248 -0.845 8.343 1.00 0.00 C ATOM 1264 CD ARG A 81 -2.933 -2.230 7.774 1.00 0.00 C ATOM 1265 NE ARG A 81 -3.532 -3.278 8.632 1.00 0.00 N ATOM 1266 CZ ARG A 81 -3.023 -3.667 9.808 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -1.902 -3.099 10.275 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -3.633 -4.626 10.518 1.00 0.00 N ATOM 0 H ARG A 81 -5.275 1.891 6.324 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.567 1.773 8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.044 -0.061 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.742 -0.342 6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.324 -0.357 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.870 -0.946 9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.322 -2.313 6.759 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.854 -2.371 7.714 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.386 -3.732 8.307 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.436 -2.370 9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.515 -3.396 11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.485 -5.060 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.245 -4.922 11.414 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.273 2.253 7.706 1.00 0.00 N ATOM 1283 CA TYR A 82 0.111 2.473 7.321 1.00 0.00 C ATOM 1284 C TYR A 82 0.816 1.148 7.028 1.00 0.00 C ATOM 1285 O TYR A 82 1.098 0.375 7.942 1.00 0.00 O ATOM 1286 CB TYR A 82 0.782 3.139 8.524 1.00 0.00 C ATOM 1287 CG TYR A 82 2.235 3.551 8.276 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.686 3.747 6.987 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.093 3.726 9.342 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.054 4.135 6.754 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.461 4.113 9.110 1.00 0.00 C ATOM 1292 CZ TYR A 82 4.873 4.299 7.827 1.00 0.00 C ATOM 1293 OH TYR A 82 6.165 4.664 7.607 1.00 0.00 O ATOM 0 H TYR A 82 -1.518 2.598 8.634 1.00 0.00 H new ATOM 0 HA TYR A 82 0.166 3.084 6.420 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.208 4.022 8.805 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.749 2.454 9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.014 3.610 6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.739 3.573 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.420 4.292 5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.144 4.252 9.935 1.00 0.00 H new ATOM 0 HH TYR A 82 6.218 5.202 6.790 1.00 0.00 H new ATOM 1303 N CYS A 83 1.081 0.925 5.749 1.00 0.00 N ATOM 1304 CA CYS A 83 1.748 -0.294 5.323 1.00 0.00 C ATOM 1305 C CYS A 83 3.254 -0.108 5.513 1.00 0.00 C ATOM 1306 O CYS A 83 3.852 -0.722 6.396 1.00 0.00 O ATOM 1307 CB CYS A 83 1.395 -0.657 3.880 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.327 -1.270 3.791 1.00 0.00 S ATOM 0 H CYS A 83 0.846 1.568 4.993 1.00 0.00 H new ATOM 0 HA CYS A 83 1.407 -1.131 5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.512 0.216 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.081 -1.419 3.510 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.617 -1.573 2.561 1.00 0.00 H new ATOM 1314 N GLY A 84 3.825 0.741 4.671 1.00 0.00 N ATOM 1315 CA GLY A 84 5.250 1.015 4.736 1.00 0.00 C ATOM 1316 C GLY A 84 5.758 1.589 3.412 1.00 0.00 C ATOM 1317 O GLY A 84 5.211 1.292 2.351 1.00 0.00 O ATOM 0 H GLY A 84 3.326 1.248 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.452 1.719 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.790 0.098 4.970 1.00 0.00 H new ATOM 1321 N ASP A 85 6.800 2.402 3.517 1.00 0.00 N ATOM 1322 CA ASP A 85 7.388 3.020 2.341 1.00 0.00 C ATOM 1323 C ASP A 85 8.052 1.943 1.482 1.00 0.00 C ATOM 1324 O ASP A 85 8.113 0.780 1.876 1.00 0.00 O ATOM 1325 CB ASP A 85 8.459 4.040 2.733 1.00 0.00 C ATOM 1326 CG ASP A 85 9.642 3.467 3.516 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.460 2.378 4.101 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.701 4.131 3.512 1.00 0.00 O ATOM 0 H ASP A 85 7.252 2.647 4.398 1.00 0.00 H new ATOM 0 HA ASP A 85 6.593 3.525 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.837 4.513 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.992 4.823 3.331 1.00 0.00 H new ATOM 1333 N TYR A 86 8.534 2.369 0.323 1.00 0.00 N ATOM 1334 CA TYR A 86 9.191 1.455 -0.595 1.00 0.00 C ATOM 1335 C TYR A 86 10.056 0.445 0.161 1.00 0.00 C ATOM 1336 O TYR A 86 10.017 -0.750 -0.128 1.00 0.00 O ATOM 1337 CB TYR A 86 10.094 2.321 -1.477 1.00 0.00 C ATOM 1338 CG TYR A 86 11.188 1.538 -2.205 1.00 0.00 C ATOM 1339 CD1 TYR A 86 10.883 0.825 -3.347 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.480 1.544 -1.720 1.00 0.00 C ATOM 1341 CE1 TYR A 86 11.913 0.088 -4.033 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.510 0.807 -2.405 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.176 0.115 -3.528 1.00 0.00 C ATOM 1344 OH TYR A 86 14.149 -0.580 -4.175 1.00 0.00 O ATOM 0 H TYR A 86 8.482 3.335 -0.001 1.00 0.00 H new ATOM 0 HA TYR A 86 8.455 0.895 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.478 2.836 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.560 3.088 -0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.872 0.820 -3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.719 2.102 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.688 -0.473 -4.928 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.525 0.804 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 86 14.368 -1.388 -3.666 1.00 0.00 H new ATOM 1354 N ASP A 87 10.816 0.962 1.116 1.00 0.00 N ATOM 1355 CA ASP A 87 11.688 0.120 1.916 1.00 0.00 C ATOM 1356 C ASP A 87 10.906 -1.103 2.400 1.00 0.00 C ATOM 1357 O ASP A 87 11.304 -2.239 2.148 1.00 0.00 O ATOM 1358 CB ASP A 87 12.200 0.870 3.147 1.00 0.00 C ATOM 1359 CG ASP A 87 13.303 1.894 2.868 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.361 1.463 2.359 1.00 0.00 O ATOM 1361 OD2 ASP A 87 13.063 3.083 3.168 1.00 0.00 O ATOM 0 H ASP A 87 10.845 1.954 1.353 1.00 0.00 H new ATOM 0 HA ASP A 87 12.534 -0.175 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.360 1.382 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.574 0.143 3.868 1.00 0.00 H new ATOM 1366 N SER A 88 9.806 -0.829 3.087 1.00 0.00 N ATOM 1367 CA SER A 88 8.965 -1.892 3.609 1.00 0.00 C ATOM 1368 C SER A 88 8.641 -2.895 2.499 1.00 0.00 C ATOM 1369 O SER A 88 8.902 -4.089 2.642 1.00 0.00 O ATOM 1370 CB SER A 88 7.675 -1.330 4.208 1.00 0.00 C ATOM 1371 OG SER A 88 7.931 -0.469 5.314 1.00 0.00 O ATOM 0 H SER A 88 9.478 0.114 3.294 1.00 0.00 H new ATOM 0 HA SER A 88 9.511 -2.401 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.128 -0.782 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.036 -2.153 4.529 1.00 0.00 H new ATOM 0 HG SER A 88 7.493 -0.826 6.115 1.00 0.00 H new ATOM 1377 N PHE A 89 8.079 -2.373 1.419 1.00 0.00 N ATOM 1378 CA PHE A 89 7.717 -3.208 0.286 1.00 0.00 C ATOM 1379 C PHE A 89 8.885 -4.105 -0.129 1.00 0.00 C ATOM 1380 O PHE A 89 8.812 -5.326 0.000 1.00 0.00 O ATOM 1381 CB PHE A 89 7.374 -2.268 -0.871 1.00 0.00 C ATOM 1382 CG PHE A 89 6.999 -2.988 -2.168 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.830 -3.679 -2.248 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.834 -2.937 -3.240 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.482 -4.347 -3.452 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.486 -3.606 -4.443 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.318 -4.297 -4.524 1.00 0.00 C ATOM 0 H PHE A 89 7.865 -1.382 1.304 1.00 0.00 H new ATOM 0 HA PHE A 89 6.877 -3.850 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.545 -1.627 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.227 -1.618 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.167 -3.720 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.762 -2.388 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.553 -4.895 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.150 -3.566 -5.294 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.054 -4.806 -5.439 1.00 0.00 H new ATOM 1397 N PHE A 90 9.936 -3.464 -0.620 1.00 0.00 N ATOM 1398 CA PHE A 90 11.118 -4.187 -1.056 1.00 0.00 C ATOM 1399 C PHE A 90 11.519 -5.249 -0.030 1.00 0.00 C ATOM 1400 O PHE A 90 11.586 -6.435 -0.352 1.00 0.00 O ATOM 1401 CB PHE A 90 12.248 -3.164 -1.182 1.00 0.00 C ATOM 1402 CG PHE A 90 13.495 -3.698 -1.889 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.350 -4.524 -1.229 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.749 -3.346 -3.178 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.507 -5.020 -1.885 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.907 -3.842 -3.834 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.761 -4.668 -3.174 1.00 0.00 C ATOM 0 H PHE A 90 9.993 -2.451 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 90 10.919 -4.690 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.878 -2.295 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.527 -2.821 -0.186 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.149 -4.803 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.070 -2.690 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.185 -5.677 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.109 -3.563 -4.858 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.641 -5.045 -3.673 1.00 0.00 H new ATOM 1417 N GLU A 91 11.776 -4.786 1.184 1.00 0.00 N ATOM 1418 CA GLU A 91 12.170 -5.680 2.259 1.00 0.00 C ATOM 1419 C GLU A 91 11.230 -6.886 2.317 1.00 0.00 C ATOM 1420 O GLU A 91 11.677 -8.018 2.496 1.00 0.00 O ATOM 1421 CB GLU A 91 12.201 -4.945 3.601 1.00 0.00 C ATOM 1422 CG GLU A 91 13.540 -5.156 4.310 1.00 0.00 C ATOM 1423 CD GLU A 91 13.377 -6.062 5.532 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.344 -5.908 6.219 1.00 0.00 O ATOM 1425 OE2 GLU A 91 14.289 -6.887 5.753 1.00 0.00 O ATOM 0 H GLU A 91 11.719 -3.802 1.447 1.00 0.00 H new ATOM 0 HA GLU A 91 13.179 -6.039 2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.034 -3.880 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.389 -5.303 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.256 -5.599 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.948 -4.193 4.618 1.00 0.00 H new ATOM 1432 N SER A 92 9.945 -6.603 2.161 1.00 0.00 N ATOM 1433 CA SER A 92 8.938 -7.650 2.193 1.00 0.00 C ATOM 1434 C SER A 92 8.979 -8.455 0.892 1.00 0.00 C ATOM 1435 O SER A 92 8.592 -9.622 0.868 1.00 0.00 O ATOM 1436 CB SER A 92 7.542 -7.065 2.412 1.00 0.00 C ATOM 1437 OG SER A 92 7.137 -7.144 3.776 1.00 0.00 O ATOM 0 H SER A 92 9.578 -5.663 2.012 1.00 0.00 H new ATOM 0 HA SER A 92 9.160 -8.312 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.531 -6.024 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.824 -7.598 1.789 1.00 0.00 H new ATOM 0 HG SER A 92 6.961 -8.079 4.011 1.00 0.00 H new ATOM 1443 N LYS A 93 9.452 -7.799 -0.157 1.00 0.00 N ATOM 1444 CA LYS A 93 9.548 -8.439 -1.458 1.00 0.00 C ATOM 1445 C LYS A 93 10.486 -9.644 -1.361 1.00 0.00 C ATOM 1446 O LYS A 93 10.131 -10.746 -1.777 1.00 0.00 O ATOM 1447 CB LYS A 93 9.961 -7.423 -2.526 1.00 0.00 C ATOM 1448 CG LYS A 93 9.141 -7.608 -3.804 1.00 0.00 C ATOM 1449 CD LYS A 93 8.708 -6.257 -4.378 1.00 0.00 C ATOM 1450 CE LYS A 93 9.923 -5.403 -4.745 1.00 0.00 C ATOM 1451 NZ LYS A 93 9.870 -5.012 -6.172 1.00 0.00 N ATOM 0 H LYS A 93 9.773 -6.831 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 93 8.574 -8.817 -1.769 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.823 -6.412 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.022 -7.537 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.731 -8.149 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.261 -8.216 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.089 -6.415 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.094 -5.728 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.951 -4.512 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.839 -5.960 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.384 -4.118 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.309 -5.755 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.879 -4.888 -6.461 1.00 0.00 H new ATOM 1465 N GLU A 94 11.664 -9.393 -0.810 1.00 0.00 N ATOM 1466 CA GLU A 94 12.655 -10.444 -0.653 1.00 0.00 C ATOM 1467 C GLU A 94 12.063 -11.621 0.124 1.00 0.00 C ATOM 1468 O GLU A 94 12.490 -12.761 -0.048 1.00 0.00 O ATOM 1469 CB GLU A 94 13.914 -9.912 0.034 1.00 0.00 C ATOM 1470 CG GLU A 94 14.575 -8.815 -0.804 1.00 0.00 C ATOM 1471 CD GLU A 94 16.056 -8.670 -0.449 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.748 -9.710 -0.467 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.462 -7.522 -0.166 1.00 0.00 O ATOM 0 H GLU A 94 11.955 -8.478 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 94 12.942 -10.796 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.657 -9.518 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.619 -10.728 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.473 -9.051 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.063 -7.867 -0.637 1.00 0.00 H new ATOM 1480 N SER A 95 11.087 -11.304 0.964 1.00 0.00 N ATOM 1481 CA SER A 95 10.432 -12.321 1.768 1.00 0.00 C ATOM 1482 C SER A 95 9.098 -12.713 1.129 1.00 0.00 C ATOM 1483 O SER A 95 8.304 -13.433 1.734 1.00 0.00 O ATOM 1484 CB SER A 95 10.211 -11.832 3.201 1.00 0.00 C ATOM 1485 OG SER A 95 9.834 -12.893 4.074 1.00 0.00 O ATOM 0 H SER A 95 10.735 -10.357 1.104 1.00 0.00 H new ATOM 0 HA SER A 95 11.080 -13.196 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.125 -11.366 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.437 -11.065 3.207 1.00 0.00 H new ATOM 0 HG SER A 95 9.207 -13.488 3.613 1.00 0.00 H new ATOM 1491 N ASN A 96 8.892 -12.223 -0.084 1.00 0.00 N ATOM 1492 CA ASN A 96 7.668 -12.514 -0.811 1.00 0.00 C ATOM 1493 C ASN A 96 6.475 -12.394 0.139 1.00 0.00 C ATOM 1494 O ASN A 96 5.647 -13.300 0.218 1.00 0.00 O ATOM 1495 CB ASN A 96 7.685 -13.937 -1.372 1.00 0.00 C ATOM 1496 CG ASN A 96 8.430 -13.992 -2.707 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.162 -13.240 -3.629 1.00 0.00 O ATOM 1498 ND2 ASN A 96 9.379 -14.923 -2.759 1.00 0.00 N ATOM 0 H ASN A 96 9.552 -11.626 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 96 7.588 -11.804 -1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.162 -14.608 -0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.663 -14.290 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.933 -15.040 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.552 -15.520 -1.950 1.00 0.00 H new ATOM 1505 N THR A 97 6.426 -11.268 0.836 1.00 0.00 N ATOM 1506 CA THR A 97 5.348 -11.018 1.778 1.00 0.00 C ATOM 1507 C THR A 97 4.587 -9.748 1.393 1.00 0.00 C ATOM 1508 O THR A 97 3.665 -9.336 2.094 1.00 0.00 O ATOM 1509 CB THR A 97 5.950 -10.964 3.183 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.016 -10.025 3.068 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.645 -12.270 3.573 1.00 0.00 C ATOM 0 H THR A 97 7.115 -10.519 0.767 1.00 0.00 H new ATOM 0 HA THR A 97 4.610 -11.820 1.756 1.00 0.00 H new ATOM 0 HB THR A 97 5.165 -10.741 3.906 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.501 -9.975 3.918 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.055 -12.178 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.924 -13.087 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.452 -12.477 2.870 1.00 0.00 H new ATOM 1519 N VAL A 98 5.004 -9.162 0.280 1.00 0.00 N ATOM 1520 CA VAL A 98 4.374 -7.946 -0.206 1.00 0.00 C ATOM 1521 C VAL A 98 2.871 -8.007 0.076 1.00 0.00 C ATOM 1522 O VAL A 98 2.312 -7.094 0.683 1.00 0.00 O ATOM 1523 CB VAL A 98 4.695 -7.747 -1.689 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.624 -6.895 -2.373 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.084 -7.131 -1.871 1.00 0.00 C ATOM 0 H VAL A 98 5.770 -9.507 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 98 4.769 -7.076 0.319 1.00 0.00 H new ATOM 0 HB VAL A 98 4.698 -8.727 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.877 -6.769 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.657 -7.390 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.575 -5.918 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.288 -7.000 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.121 -6.162 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.835 -7.791 -1.437 1.00 0.00 H new ATOM 1535 N PHE A 99 2.260 -9.092 -0.376 1.00 0.00 N ATOM 1536 CA PHE A 99 0.833 -9.284 -0.180 1.00 0.00 C ATOM 1537 C PHE A 99 0.448 -9.071 1.286 1.00 0.00 C ATOM 1538 O PHE A 99 -0.458 -8.296 1.587 1.00 0.00 O ATOM 1539 CB PHE A 99 0.518 -10.729 -0.573 1.00 0.00 C ATOM 1540 CG PHE A 99 0.522 -10.978 -2.083 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.678 -11.317 -2.713 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.631 -10.859 -2.794 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.682 -11.548 -4.114 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -0.627 -11.091 -4.195 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.529 -11.430 -4.826 1.00 0.00 C ATOM 0 H PHE A 99 2.727 -9.847 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 99 0.275 -8.568 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.247 -11.390 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.459 -10.999 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.594 -11.411 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.549 -10.588 -2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.600 -11.817 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.543 -10.998 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.532 -11.605 -5.892 1.00 0.00 H new ATOM 1555 N SER A 100 1.156 -9.773 2.158 1.00 0.00 N ATOM 1556 CA SER A 100 0.900 -9.671 3.585 1.00 0.00 C ATOM 1557 C SER A 100 1.286 -8.279 4.087 1.00 0.00 C ATOM 1558 O SER A 100 0.602 -7.710 4.937 1.00 0.00 O ATOM 1559 CB SER A 100 1.664 -10.746 4.360 1.00 0.00 C ATOM 1560 OG SER A 100 0.797 -11.545 5.161 1.00 0.00 O ATOM 0 H SER A 100 1.907 -10.415 1.904 1.00 0.00 H new ATOM 0 HA SER A 100 -0.165 -9.829 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.201 -11.385 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.411 -10.272 4.997 1.00 0.00 H new ATOM 0 HG SER A 100 1.323 -12.220 5.638 1.00 0.00 H new ATOM 1566 N PHE A 101 2.380 -7.770 3.541 1.00 0.00 N ATOM 1567 CA PHE A 101 2.866 -6.455 3.923 1.00 0.00 C ATOM 1568 C PHE A 101 1.804 -5.383 3.669 1.00 0.00 C ATOM 1569 O PHE A 101 1.713 -4.405 4.410 1.00 0.00 O ATOM 1570 CB PHE A 101 4.089 -6.159 3.054 1.00 0.00 C ATOM 1571 CG PHE A 101 4.396 -4.669 2.896 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.446 -3.865 3.993 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.618 -4.147 1.660 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.731 -2.482 3.847 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.902 -2.763 1.514 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.953 -1.960 2.611 1.00 0.00 C ATOM 0 H PHE A 101 2.944 -8.245 2.836 1.00 0.00 H new ATOM 0 HA PHE A 101 3.110 -6.443 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.958 -6.654 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.934 -6.594 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.269 -4.279 4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.578 -4.785 0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.772 -1.844 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.077 -2.348 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.170 -0.908 2.500 1.00 0.00 H new ATOM 1586 N LEU A 102 1.026 -5.603 2.619 1.00 0.00 N ATOM 1587 CA LEU A 102 -0.026 -4.669 2.258 1.00 0.00 C ATOM 1588 C LEU A 102 -1.323 -5.069 2.965 1.00 0.00 C ATOM 1589 O LEU A 102 -2.181 -4.225 3.219 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.159 -4.573 0.737 1.00 0.00 C ATOM 1591 CG LEU A 102 1.149 -4.431 -0.043 1.00 0.00 C ATOM 1592 CD1 LEU A 102 1.048 -5.108 -1.412 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.562 -2.963 -0.159 1.00 0.00 C ATOM 0 H LEU A 102 1.104 -6.415 2.007 1.00 0.00 H new ATOM 0 HA LEU A 102 0.225 -3.664 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.677 -5.464 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.794 -3.719 0.501 1.00 0.00 H new ATOM 0 HG LEU A 102 1.935 -4.943 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.991 -4.992 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.834 -6.169 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.246 -4.646 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.495 -2.891 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.783 -2.406 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.703 -2.545 0.838 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.424 -6.356 3.261 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.601 -6.879 3.934 1.00 0.00 C ATOM 1607 C GLY A 103 -3.519 -7.605 2.948 1.00 0.00 C ATOM 1608 O GLY A 103 -4.738 -7.448 2.998 1.00 0.00 O ATOM 0 H GLY A 103 -0.710 -7.052 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.297 -7.564 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.145 -6.063 4.410 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.898 -8.384 2.075 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.643 -9.135 1.079 1.00 0.00 C ATOM 1614 C LEU A 104 -3.539 -10.629 1.390 1.00 0.00 C ATOM 1615 O LEU A 104 -3.348 -11.443 0.488 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.175 -8.766 -0.331 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.962 -7.275 -0.598 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.306 -7.051 -1.962 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.274 -6.500 -0.459 1.00 0.00 C ATOM 0 H LEU A 104 -1.887 -8.511 2.037 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.701 -8.874 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.239 -9.288 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.907 -9.142 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.278 -6.887 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.166 -5.983 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.338 -7.552 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.946 -7.458 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.094 -5.443 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.000 -6.883 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.663 -6.622 0.552 1.00 0.00 H new