USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 70 GLN : amide:sc= -0.996 K(o=-1,f=-2.7!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.924 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -91:sc= -0.845 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -1.29 (180deg=-2.78!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 28 GLN : amide:sc= -3.24! C(o=-3.2!,f=-16!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -104:sc= -2.06! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.407 K(o=-0.41,f=-2.5!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -132:sc= -1.57! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 57 MET CE :methyl -148:sc= -0.895 (180deg=-3.24!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -3.63! C(o=-5.3!,f=-3.6!) USER MOD Single : A 75 ASN : amide:sc= -0.0837 X(o=-0.084,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.17) USER MOD Single : A 78 CYS SG : rot 85:sc= -1.96! USER MOD Single : A 81 TYR OH : rot 144:sc= 0.00271 USER MOD Single : A 90 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.33) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 9.899 -7.497 -3.763 1.00 0.00 N ATOM 104 CA GLY A 10 9.023 -7.752 -2.632 1.00 0.00 C ATOM 105 C GLY A 10 8.243 -6.493 -2.249 1.00 0.00 C ATOM 106 O GLY A 10 8.552 -5.846 -1.250 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.328 -8.554 -2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.612 -8.092 -1.780 1.00 0.00 H new ATOM 110 N LEU A 11 7.245 -6.183 -3.064 1.00 0.00 N ATOM 111 CA LEU A 11 6.418 -5.013 -2.823 1.00 0.00 C ATOM 112 C LEU A 11 5.475 -5.293 -1.651 1.00 0.00 C ATOM 113 O LEU A 11 4.887 -6.369 -1.566 1.00 0.00 O ATOM 114 CB LEU A 11 5.696 -4.594 -4.106 1.00 0.00 C ATOM 115 CG LEU A 11 5.843 -3.125 -4.508 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.023 -2.219 -3.588 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.316 -2.713 -4.553 1.00 0.00 C ATOM 0 H LEU A 11 6.991 -6.722 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 11 7.036 -4.161 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.063 -5.213 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.635 -4.814 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 11 5.444 -3.006 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.146 -1.181 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.970 -2.494 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.368 -2.336 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.392 -1.665 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.763 -2.852 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.844 -3.329 -5.281 1.00 0.00 H new ATOM 129 N ARG A 12 5.361 -4.304 -0.776 1.00 0.00 N ATOM 130 CA ARG A 12 4.500 -4.430 0.388 1.00 0.00 C ATOM 131 C ARG A 12 3.639 -3.176 0.549 1.00 0.00 C ATOM 132 O ARG A 12 4.157 -2.061 0.568 1.00 0.00 O ATOM 133 CB ARG A 12 5.322 -4.643 1.661 1.00 0.00 C ATOM 134 CG ARG A 12 6.207 -5.885 1.541 1.00 0.00 C ATOM 135 CD ARG A 12 6.266 -6.647 2.866 1.00 0.00 C ATOM 136 NE ARG A 12 7.414 -7.580 2.864 1.00 0.00 N ATOM 137 CZ ARG A 12 7.583 -8.566 3.756 1.00 0.00 C ATOM 138 NH1 ARG A 12 6.679 -8.753 4.727 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.656 -9.365 3.676 1.00 0.00 N ATOM 0 H ARG A 12 5.851 -3.412 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 12 3.859 -5.298 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.943 -3.767 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.654 -4.749 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.819 -6.538 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.213 -5.591 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.359 -5.945 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.339 -7.199 3.019 1.00 0.00 H new ATOM 0 HE ARG A 12 8.121 -7.466 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.862 -8.145 4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.808 -9.503 5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.344 -9.223 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.785 -10.115 4.355 1.00 0.00 H new ATOM 153 N VAL A 13 2.338 -3.402 0.661 1.00 0.00 N ATOM 154 CA VAL A 13 1.399 -2.304 0.819 1.00 0.00 C ATOM 155 C VAL A 13 0.890 -2.279 2.262 1.00 0.00 C ATOM 156 O VAL A 13 -0.007 -3.040 2.621 1.00 0.00 O ATOM 157 CB VAL A 13 0.273 -2.425 -0.210 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.822 -1.390 0.052 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.817 -2.300 -1.634 1.00 0.00 C ATOM 0 H VAL A 13 1.912 -4.329 0.645 1.00 0.00 H new ATOM 0 HA VAL A 13 1.891 -1.350 0.630 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.171 -3.415 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.610 -1.498 -0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.240 -1.546 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.398 -0.388 -0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.003 -2.389 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.299 -1.330 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.544 -3.091 -1.817 1.00 0.00 H new ATOM 169 N TYR A 14 1.485 -1.395 3.050 1.00 0.00 N ATOM 170 CA TYR A 14 1.103 -1.260 4.445 1.00 0.00 C ATOM 171 C TYR A 14 -0.219 -0.502 4.581 1.00 0.00 C ATOM 172 O TYR A 14 -0.243 0.727 4.528 1.00 0.00 O ATOM 173 CB TYR A 14 2.214 -0.446 5.110 1.00 0.00 C ATOM 174 CG TYR A 14 3.480 -1.250 5.411 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.298 -1.663 4.378 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.805 -1.564 6.715 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.489 -2.420 4.662 1.00 0.00 C ATOM 178 CE2 TYR A 14 4.997 -2.321 6.999 1.00 0.00 C ATOM 179 CZ TYR A 14 5.780 -2.712 5.958 1.00 0.00 C ATOM 180 OH TYR A 14 6.905 -3.427 6.225 1.00 0.00 O ATOM 0 H TYR A 14 2.229 -0.765 2.749 1.00 0.00 H new ATOM 0 HA TYR A 14 0.972 -2.240 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.473 0.392 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.834 -0.024 6.041 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.044 -1.418 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.165 -1.242 7.523 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.137 -2.749 3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.263 -2.572 8.015 1.00 0.00 H new ATOM 0 HH TYR A 14 6.986 -3.560 7.193 1.00 0.00 H new ATOM 190 N SER A 15 -1.288 -1.267 4.754 1.00 0.00 N ATOM 191 CA SER A 15 -2.610 -0.682 4.898 1.00 0.00 C ATOM 192 C SER A 15 -3.237 -1.126 6.221 1.00 0.00 C ATOM 193 O SER A 15 -3.114 -2.286 6.613 1.00 0.00 O ATOM 194 CB SER A 15 -3.514 -1.071 3.726 1.00 0.00 C ATOM 195 OG SER A 15 -2.784 -1.689 2.670 1.00 0.00 O ATOM 0 H SER A 15 -1.265 -2.286 4.798 1.00 0.00 H new ATOM 0 HA SER A 15 -2.506 0.403 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.290 -1.752 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.018 -0.182 3.346 1.00 0.00 H new ATOM 0 HG SER A 15 -3.397 -1.924 1.942 1.00 0.00 H new ATOM 201 N THR A 16 -3.895 -0.179 6.874 1.00 0.00 N ATOM 202 CA THR A 16 -4.542 -0.458 8.145 1.00 0.00 C ATOM 203 C THR A 16 -6.038 -0.704 7.940 1.00 0.00 C ATOM 204 O THR A 16 -6.650 -0.122 7.046 1.00 0.00 O ATOM 205 CB THR A 16 -4.241 0.705 9.093 1.00 0.00 C ATOM 206 OG1 THR A 16 -4.875 0.331 10.313 1.00 0.00 O ATOM 207 CG2 THR A 16 -4.956 1.994 8.683 1.00 0.00 C ATOM 0 H THR A 16 -3.994 0.782 6.547 1.00 0.00 H new ATOM 0 HA THR A 16 -4.154 -1.372 8.595 1.00 0.00 H new ATOM 0 HB THR A 16 -3.165 0.880 9.123 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.729 1.029 10.985 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.709 2.787 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.636 2.285 7.683 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.033 1.829 8.686 1.00 0.00 H new ATOM 215 N SER A 17 -6.584 -1.568 8.784 1.00 0.00 N ATOM 216 CA SER A 17 -7.996 -1.898 8.707 1.00 0.00 C ATOM 217 C SER A 17 -8.810 -0.919 9.555 1.00 0.00 C ATOM 218 O SER A 17 -9.808 -0.370 9.091 1.00 0.00 O ATOM 219 CB SER A 17 -8.252 -3.336 9.164 1.00 0.00 C ATOM 220 OG SER A 17 -9.622 -3.703 9.032 1.00 0.00 O ATOM 0 H SER A 17 -6.073 -2.049 9.524 1.00 0.00 H new ATOM 0 HA SER A 17 -8.310 -1.815 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.636 -4.018 8.577 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.946 -3.445 10.204 1.00 0.00 H new ATOM 0 HG SER A 17 -9.743 -4.628 9.333 1.00 0.00 H new ATOM 226 N VAL A 18 -8.354 -0.731 10.785 1.00 0.00 N ATOM 227 CA VAL A 18 -9.027 0.173 11.702 1.00 0.00 C ATOM 228 C VAL A 18 -9.233 1.526 11.020 1.00 0.00 C ATOM 229 O VAL A 18 -10.365 1.979 10.860 1.00 0.00 O ATOM 230 CB VAL A 18 -8.237 0.276 13.009 1.00 0.00 C ATOM 231 CG1 VAL A 18 -8.764 1.418 13.879 1.00 0.00 C ATOM 232 CG2 VAL A 18 -8.261 -1.051 13.771 1.00 0.00 C ATOM 0 H VAL A 18 -7.527 -1.189 11.168 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.013 -0.212 11.963 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.200 0.498 12.757 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.186 1.469 14.801 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.670 2.360 13.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.812 1.240 14.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.692 -0.950 14.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.292 -1.317 14.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.816 -1.832 13.155 1.00 0.00 H new ATOM 242 N THR A 19 -8.120 2.135 10.636 1.00 0.00 N ATOM 243 CA THR A 19 -8.164 3.428 9.974 1.00 0.00 C ATOM 244 C THR A 19 -9.356 4.244 10.478 1.00 0.00 C ATOM 245 O THR A 19 -10.441 4.187 9.902 1.00 0.00 O ATOM 246 CB THR A 19 -8.190 3.185 8.463 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.065 4.488 7.900 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.554 2.696 7.972 1.00 0.00 C ATOM 0 H THR A 19 -7.182 1.757 10.771 1.00 0.00 H new ATOM 0 HA THR A 19 -7.281 4.022 10.207 1.00 0.00 H new ATOM 0 HB THR A 19 -7.426 2.453 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.956 4.871 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.518 2.539 6.894 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.804 1.758 8.467 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.313 3.442 8.205 1.00 0.00 H new ATOM 256 N GLY A 20 -9.113 4.986 11.549 1.00 0.00 N ATOM 257 CA GLY A 20 -10.153 5.813 12.137 1.00 0.00 C ATOM 258 C GLY A 20 -10.882 6.624 11.064 1.00 0.00 C ATOM 259 O GLY A 20 -12.079 6.881 11.181 1.00 0.00 O ATOM 0 H GLY A 20 -8.212 5.032 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.866 5.183 12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.714 6.488 12.872 1.00 0.00 H new ATOM 263 N SER A 21 -10.129 7.003 10.041 1.00 0.00 N ATOM 264 CA SER A 21 -10.689 7.779 8.948 1.00 0.00 C ATOM 265 C SER A 21 -11.285 6.844 7.894 1.00 0.00 C ATOM 266 O SER A 21 -11.142 5.626 7.988 1.00 0.00 O ATOM 267 CB SER A 21 -9.630 8.684 8.315 1.00 0.00 C ATOM 268 OG SER A 21 -10.143 9.980 8.018 1.00 0.00 O ATOM 0 H SER A 21 -9.137 6.787 9.947 1.00 0.00 H new ATOM 0 HA SER A 21 -11.478 8.414 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.781 8.777 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.259 8.223 7.400 1.00 0.00 H new ATOM 0 HG SER A 21 -9.436 10.528 7.617 1.00 0.00 H new ATOM 274 N ARG A 22 -11.941 7.449 6.915 1.00 0.00 N ATOM 275 CA ARG A 22 -12.560 6.685 5.844 1.00 0.00 C ATOM 276 C ARG A 22 -11.810 6.911 4.530 1.00 0.00 C ATOM 277 O ARG A 22 -11.667 5.990 3.727 1.00 0.00 O ATOM 278 CB ARG A 22 -14.026 7.081 5.662 1.00 0.00 C ATOM 279 CG ARG A 22 -14.753 6.088 4.753 1.00 0.00 C ATOM 280 CD ARG A 22 -16.175 6.564 4.447 1.00 0.00 C ATOM 281 NE ARG A 22 -17.120 5.429 4.542 1.00 0.00 N ATOM 282 CZ ARG A 22 -18.433 5.563 4.773 1.00 0.00 C ATOM 283 NH1 ARG A 22 -18.964 6.783 4.934 1.00 0.00 N ATOM 284 NH2 ARG A 22 -19.215 4.477 4.843 1.00 0.00 N ATOM 0 H ARG A 22 -12.058 8.460 6.840 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.512 5.631 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.519 7.119 6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.086 8.082 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.198 5.968 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.788 5.110 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.464 7.348 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.215 6.999 3.448 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.749 4.486 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.369 7.609 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.964 6.885 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.811 3.549 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.215 4.579 5.019 1.00 0.00 H new ATOM 298 N GLU A 23 -11.352 8.141 4.350 1.00 0.00 N ATOM 299 CA GLU A 23 -10.621 8.499 3.147 1.00 0.00 C ATOM 300 C GLU A 23 -9.396 7.598 2.982 1.00 0.00 C ATOM 301 O GLU A 23 -9.101 7.140 1.879 1.00 0.00 O ATOM 302 CB GLU A 23 -10.218 9.975 3.169 1.00 0.00 C ATOM 303 CG GLU A 23 -10.945 10.759 2.074 1.00 0.00 C ATOM 304 CD GLU A 23 -11.214 12.198 2.518 1.00 0.00 C ATOM 305 OE1 GLU A 23 -11.679 12.361 3.666 1.00 0.00 O ATOM 306 OE2 GLU A 23 -10.948 13.104 1.698 1.00 0.00 O ATOM 0 H GLU A 23 -11.473 8.902 5.018 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.276 8.348 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.450 10.404 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.141 10.063 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.345 10.761 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.887 10.267 1.833 1.00 0.00 H new ATOM 313 N ILE A 24 -8.714 7.371 4.095 1.00 0.00 N ATOM 314 CA ILE A 24 -7.527 6.533 4.088 1.00 0.00 C ATOM 315 C ILE A 24 -7.800 5.277 3.258 1.00 0.00 C ATOM 316 O ILE A 24 -7.077 4.990 2.305 1.00 0.00 O ATOM 317 CB ILE A 24 -7.071 6.238 5.519 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.696 7.527 6.252 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.931 5.218 5.531 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.197 7.228 7.667 1.00 0.00 C ATOM 0 H ILE A 24 -8.961 7.753 5.008 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.695 7.054 3.614 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.907 5.793 6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.923 8.055 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.562 8.187 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.625 5.026 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.270 4.288 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.084 5.612 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.937 8.162 8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.981 6.722 8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.317 6.587 7.615 1.00 0.00 H new ATOM 332 N LYS A 25 -8.845 4.563 3.650 1.00 0.00 N ATOM 333 CA LYS A 25 -9.222 3.345 2.954 1.00 0.00 C ATOM 334 C LYS A 25 -9.080 3.559 1.445 1.00 0.00 C ATOM 335 O LYS A 25 -8.306 2.867 0.786 1.00 0.00 O ATOM 336 CB LYS A 25 -10.620 2.893 3.382 1.00 0.00 C ATOM 337 CG LYS A 25 -10.688 2.684 4.896 1.00 0.00 C ATOM 338 CD LYS A 25 -11.977 3.274 5.473 1.00 0.00 C ATOM 339 CE LYS A 25 -13.089 2.224 5.517 1.00 0.00 C ATOM 340 NZ LYS A 25 -14.360 2.794 5.017 1.00 0.00 N ATOM 0 H LYS A 25 -9.442 4.805 4.441 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.552 2.529 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.356 3.639 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.879 1.966 2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.638 1.619 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.825 3.152 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.790 3.653 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.296 4.122 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.807 1.362 4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.220 1.867 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.958 2.031 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.857 3.270 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.159 3.482 4.263 1.00 0.00 H new ATOM 354 N SER A 26 -9.840 4.522 0.943 1.00 0.00 N ATOM 355 CA SER A 26 -9.809 4.837 -0.475 1.00 0.00 C ATOM 356 C SER A 26 -8.373 4.751 -0.999 1.00 0.00 C ATOM 357 O SER A 26 -8.093 4.000 -1.931 1.00 0.00 O ATOM 358 CB SER A 26 -10.390 6.226 -0.744 1.00 0.00 C ATOM 359 OG SER A 26 -11.568 6.469 0.019 1.00 0.00 O ATOM 0 H SER A 26 -10.481 5.094 1.493 1.00 0.00 H new ATOM 0 HA SER A 26 -10.425 4.108 -1.001 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.643 6.983 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.619 6.324 -1.805 1.00 0.00 H new ATOM 0 HG SER A 26 -11.907 7.367 -0.180 1.00 0.00 H new ATOM 365 N GLN A 27 -7.503 5.531 -0.376 1.00 0.00 N ATOM 366 CA GLN A 27 -6.104 5.553 -0.767 1.00 0.00 C ATOM 367 C GLN A 27 -5.546 4.129 -0.824 1.00 0.00 C ATOM 368 O GLN A 27 -4.828 3.777 -1.758 1.00 0.00 O ATOM 369 CB GLN A 27 -5.282 6.426 0.183 1.00 0.00 C ATOM 370 CG GLN A 27 -5.629 7.906 0.007 1.00 0.00 C ATOM 371 CD GLN A 27 -5.230 8.714 1.243 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.274 8.406 1.936 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.014 9.762 1.481 1.00 0.00 N ATOM 0 H GLN A 27 -7.740 6.153 0.397 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.033 5.991 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.470 6.125 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.219 6.273 -0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.117 8.301 -0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.699 8.013 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.798 9.964 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.831 10.364 2.284 1.00 0.00 H new ATOM 382 N GLN A 28 -5.898 3.350 0.188 1.00 0.00 N ATOM 383 CA GLN A 28 -5.441 1.972 0.265 1.00 0.00 C ATOM 384 C GLN A 28 -6.050 1.147 -0.871 1.00 0.00 C ATOM 385 O GLN A 28 -5.336 0.439 -1.579 1.00 0.00 O ATOM 386 CB GLN A 28 -5.774 1.360 1.627 1.00 0.00 C ATOM 387 CG GLN A 28 -5.318 2.275 2.766 1.00 0.00 C ATOM 388 CD GLN A 28 -5.459 1.576 4.120 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.562 1.584 4.947 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.631 0.974 4.299 1.00 0.00 N ATOM 0 H GLN A 28 -6.494 3.646 0.961 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.357 1.962 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.848 1.190 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.290 0.388 1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.279 2.567 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.910 3.190 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.338 1.006 3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.823 0.480 5.171 1.00 0.00 H new ATOM 399 N SER A 29 -7.362 1.267 -1.009 1.00 0.00 N ATOM 400 CA SER A 29 -8.075 0.541 -2.046 1.00 0.00 C ATOM 401 C SER A 29 -7.565 0.964 -3.425 1.00 0.00 C ATOM 402 O SER A 29 -7.370 0.125 -4.303 1.00 0.00 O ATOM 403 CB SER A 29 -9.583 0.772 -1.943 1.00 0.00 C ATOM 404 OG SER A 29 -10.276 -0.398 -1.518 1.00 0.00 O ATOM 0 H SER A 29 -7.950 1.856 -0.420 1.00 0.00 H new ATOM 0 HA SER A 29 -7.889 -0.524 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.778 1.583 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.968 1.089 -2.912 1.00 0.00 H new ATOM 0 HG SER A 29 -11.236 -0.208 -1.463 1.00 0.00 H new ATOM 410 N GLU A 30 -7.365 2.266 -3.573 1.00 0.00 N ATOM 411 CA GLU A 30 -6.882 2.811 -4.830 1.00 0.00 C ATOM 412 C GLU A 30 -5.576 2.126 -5.239 1.00 0.00 C ATOM 413 O GLU A 30 -5.540 1.382 -6.217 1.00 0.00 O ATOM 414 CB GLU A 30 -6.700 4.327 -4.737 1.00 0.00 C ATOM 415 CG GLU A 30 -7.583 5.048 -5.757 1.00 0.00 C ATOM 416 CD GLU A 30 -6.734 5.706 -6.848 1.00 0.00 C ATOM 417 OE1 GLU A 30 -5.584 6.074 -6.527 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.256 5.825 -7.978 1.00 0.00 O ATOM 0 H GLU A 30 -7.529 2.959 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.629 2.615 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.949 4.666 -3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.655 4.583 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.277 4.339 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.184 5.805 -5.253 1.00 0.00 H new ATOM 425 N VAL A 31 -4.534 2.403 -4.468 1.00 0.00 N ATOM 426 CA VAL A 31 -3.229 1.823 -4.737 1.00 0.00 C ATOM 427 C VAL A 31 -3.397 0.345 -5.095 1.00 0.00 C ATOM 428 O VAL A 31 -3.002 -0.084 -6.178 1.00 0.00 O ATOM 429 CB VAL A 31 -2.300 2.048 -3.543 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.970 1.317 -3.738 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.074 3.541 -3.297 1.00 0.00 C ATOM 0 H VAL A 31 -4.567 3.021 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.762 2.313 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.784 1.633 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.328 1.493 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.154 0.248 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.479 1.689 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.410 3.673 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.622 3.991 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.029 4.025 -3.092 1.00 0.00 H new ATOM 441 N THR A 32 -3.983 -0.394 -4.164 1.00 0.00 N ATOM 442 CA THR A 32 -4.207 -1.815 -4.367 1.00 0.00 C ATOM 443 C THR A 32 -4.875 -2.061 -5.721 1.00 0.00 C ATOM 444 O THR A 32 -4.636 -3.086 -6.358 1.00 0.00 O ATOM 445 CB THR A 32 -5.023 -2.339 -3.183 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.036 -1.354 -2.996 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.234 -2.315 -1.872 1.00 0.00 C ATOM 0 H THR A 32 -4.309 -0.035 -3.267 1.00 0.00 H new ATOM 0 HA THR A 32 -3.265 -2.363 -4.400 1.00 0.00 H new ATOM 0 HB THR A 32 -5.351 -3.357 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.815 -0.801 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.859 -2.697 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.346 -2.940 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.934 -1.292 -1.646 1.00 0.00 H new ATOM 455 N ARG A 33 -5.699 -1.104 -6.121 1.00 0.00 N ATOM 456 CA ARG A 33 -6.403 -1.203 -7.389 1.00 0.00 C ATOM 457 C ARG A 33 -5.410 -1.157 -8.552 1.00 0.00 C ATOM 458 O ARG A 33 -5.359 -2.077 -9.366 1.00 0.00 O ATOM 459 CB ARG A 33 -7.417 -0.069 -7.546 1.00 0.00 C ATOM 460 CG ARG A 33 -8.633 -0.529 -8.353 1.00 0.00 C ATOM 461 CD ARG A 33 -9.914 0.133 -7.839 1.00 0.00 C ATOM 462 NE ARG A 33 -11.001 -0.033 -8.829 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.112 0.690 -9.951 1.00 0.00 C ATOM 464 NH1 ARG A 33 -10.203 1.633 -10.233 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.133 0.471 -10.792 1.00 0.00 N ATOM 0 H ARG A 33 -5.895 -0.256 -5.590 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.936 -2.154 -7.400 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.738 0.276 -6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.946 0.779 -8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.490 -0.284 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.728 -1.613 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.206 -0.311 -6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.737 1.193 -7.655 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.710 -0.743 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.426 1.800 -9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.288 2.184 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.826 -0.246 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.217 1.022 -11.646 1.00 0.00 H new ATOM 479 N ILE A 34 -4.647 -0.075 -8.593 1.00 0.00 N ATOM 480 CA ILE A 34 -3.659 0.104 -9.644 1.00 0.00 C ATOM 481 C ILE A 34 -2.675 -1.068 -9.618 1.00 0.00 C ATOM 482 O ILE A 34 -2.473 -1.736 -10.630 1.00 0.00 O ATOM 483 CB ILE A 34 -2.988 1.473 -9.521 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.030 2.592 -9.461 1.00 0.00 C ATOM 485 CG2 ILE A 34 -1.977 1.692 -10.648 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.016 3.282 -8.095 1.00 0.00 C ATOM 0 H ILE A 34 -4.693 0.686 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.138 0.097 -10.623 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.434 1.498 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.829 3.323 -10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.021 2.182 -9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.515 2.673 -10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.208 0.921 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.487 1.639 -11.610 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.766 4.073 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.241 2.553 -7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.031 3.712 -7.915 1.00 0.00 H new ATOM 498 N LEU A 35 -2.089 -1.280 -8.449 1.00 0.00 N ATOM 499 CA LEU A 35 -1.131 -2.359 -8.277 1.00 0.00 C ATOM 500 C LEU A 35 -1.713 -3.650 -8.858 1.00 0.00 C ATOM 501 O LEU A 35 -0.974 -4.505 -9.343 1.00 0.00 O ATOM 502 CB LEU A 35 -0.715 -2.478 -6.810 1.00 0.00 C ATOM 503 CG LEU A 35 0.246 -1.404 -6.295 1.00 0.00 C ATOM 504 CD1 LEU A 35 -0.009 -0.064 -6.988 1.00 0.00 C ATOM 505 CD2 LEU A 35 0.171 -1.286 -4.772 1.00 0.00 C ATOM 0 H LEU A 35 -2.259 -0.723 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.215 -2.146 -8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.615 -2.457 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.251 -3.453 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 35 1.263 -1.707 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.687 0.682 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.136 -0.177 -8.062 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.032 0.258 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.864 -0.516 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.843 -1.017 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.439 -2.241 -4.319 1.00 0.00 H new ATOM 517 N ASP A 36 -3.033 -3.749 -8.789 1.00 0.00 N ATOM 518 CA ASP A 36 -3.723 -4.920 -9.302 1.00 0.00 C ATOM 519 C ASP A 36 -3.768 -4.852 -10.830 1.00 0.00 C ATOM 520 O ASP A 36 -3.426 -5.819 -11.509 1.00 0.00 O ATOM 521 CB ASP A 36 -5.163 -4.980 -8.789 1.00 0.00 C ATOM 522 CG ASP A 36 -5.509 -6.231 -7.980 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.157 -7.331 -8.457 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.119 -6.059 -6.902 1.00 0.00 O ATOM 0 H ASP A 36 -3.642 -3.037 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.183 -5.804 -8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.349 -4.102 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.839 -4.918 -9.641 1.00 0.00 H new ATOM 529 N GLY A 37 -4.192 -3.699 -11.327 1.00 0.00 N ATOM 530 CA GLY A 37 -4.286 -3.492 -12.762 1.00 0.00 C ATOM 531 C GLY A 37 -2.913 -3.621 -13.426 1.00 0.00 C ATOM 532 O GLY A 37 -2.786 -4.235 -14.484 1.00 0.00 O ATOM 0 H GLY A 37 -4.474 -2.899 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.973 -4.220 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.700 -2.504 -12.964 1.00 0.00 H new ATOM 536 N LYS A 38 -1.920 -3.031 -12.777 1.00 0.00 N ATOM 537 CA LYS A 38 -0.561 -3.072 -13.291 1.00 0.00 C ATOM 538 C LYS A 38 0.015 -4.474 -13.086 1.00 0.00 C ATOM 539 O LYS A 38 1.127 -4.763 -13.524 1.00 0.00 O ATOM 540 CB LYS A 38 0.283 -1.962 -12.661 1.00 0.00 C ATOM 541 CG LYS A 38 -0.269 -0.582 -13.022 1.00 0.00 C ATOM 542 CD LYS A 38 0.775 0.247 -13.774 1.00 0.00 C ATOM 543 CE LYS A 38 0.355 1.716 -13.854 1.00 0.00 C ATOM 544 NZ LYS A 38 1.052 2.394 -14.970 1.00 0.00 N ATOM 0 H LYS A 38 -2.029 -2.522 -11.900 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.553 -2.878 -14.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.296 -2.080 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.315 -2.046 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.162 -0.693 -13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.570 -0.058 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.739 0.168 -13.271 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.906 -0.153 -14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.724 1.785 -13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.586 2.218 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.756 3.390 -15.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.080 2.344 -14.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.811 1.925 -15.866 1.00 0.00 H new ATOM 558 N ARG A 39 -0.768 -5.310 -12.419 1.00 0.00 N ATOM 559 CA ARG A 39 -0.350 -6.675 -12.151 1.00 0.00 C ATOM 560 C ARG A 39 0.988 -6.684 -11.409 1.00 0.00 C ATOM 561 O ARG A 39 1.810 -7.576 -11.614 1.00 0.00 O ATOM 562 CB ARG A 39 -0.211 -7.474 -13.449 1.00 0.00 C ATOM 563 CG ARG A 39 -1.571 -7.665 -14.123 1.00 0.00 C ATOM 564 CD ARG A 39 -1.991 -9.136 -14.103 1.00 0.00 C ATOM 565 NE ARG A 39 -3.403 -9.265 -14.525 1.00 0.00 N ATOM 566 CZ ARG A 39 -4.033 -10.436 -14.692 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.380 -11.586 -14.474 1.00 0.00 N ATOM 568 NH2 ARG A 39 -5.316 -10.458 -15.078 1.00 0.00 N ATOM 0 H ARG A 39 -1.690 -5.068 -12.056 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.116 -7.141 -11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.466 -6.956 -14.128 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.233 -8.446 -13.236 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.322 -7.062 -13.613 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.524 -7.311 -15.153 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.350 -9.715 -14.768 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.863 -9.546 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.930 -8.409 -14.700 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.403 -11.570 -14.181 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.860 -12.477 -14.601 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.813 -9.583 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.795 -11.349 -15.205 1.00 0.00 H new ATOM 582 N ILE A 40 1.164 -5.681 -10.561 1.00 0.00 N ATOM 583 CA ILE A 40 2.388 -5.563 -9.787 1.00 0.00 C ATOM 584 C ILE A 40 2.364 -6.579 -8.644 1.00 0.00 C ATOM 585 O ILE A 40 1.324 -6.798 -8.024 1.00 0.00 O ATOM 586 CB ILE A 40 2.591 -4.119 -9.322 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.866 -3.194 -10.509 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.690 -4.034 -8.261 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.830 -1.726 -10.080 1.00 0.00 C ATOM 0 H ILE A 40 0.480 -4.943 -10.393 1.00 0.00 H new ATOM 0 HA ILE A 40 3.254 -5.799 -10.406 1.00 0.00 H new ATOM 0 HB ILE A 40 1.667 -3.777 -8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.840 -3.427 -10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.124 -3.367 -11.289 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.814 -2.997 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.413 -4.642 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.628 -4.402 -8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.029 -1.090 -10.943 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.847 -1.490 -9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.589 -1.551 -9.318 1.00 0.00 H new ATOM 601 N GLN A 41 3.523 -7.174 -8.398 1.00 0.00 N ATOM 602 CA GLN A 41 3.648 -8.162 -7.341 1.00 0.00 C ATOM 603 C GLN A 41 3.884 -7.472 -5.995 1.00 0.00 C ATOM 604 O GLN A 41 4.955 -6.915 -5.759 1.00 0.00 O ATOM 605 CB GLN A 41 4.767 -9.158 -7.650 1.00 0.00 C ATOM 606 CG GLN A 41 4.205 -10.565 -7.865 1.00 0.00 C ATOM 607 CD GLN A 41 4.768 -11.544 -6.833 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.733 -11.269 -6.140 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.111 -12.699 -6.769 1.00 0.00 N ATOM 0 H GLN A 41 4.384 -6.990 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 41 2.715 -8.722 -7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.307 -8.838 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.484 -9.171 -6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.118 -10.541 -7.793 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.451 -10.909 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.310 -12.865 -7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.408 -13.419 -6.110 1.00 0.00 H new ATOM 618 N TYR A 42 2.866 -7.533 -5.149 1.00 0.00 N ATOM 619 CA TYR A 42 2.949 -6.921 -3.834 1.00 0.00 C ATOM 620 C TYR A 42 2.144 -7.719 -2.806 1.00 0.00 C ATOM 621 O TYR A 42 1.378 -8.610 -3.169 1.00 0.00 O ATOM 622 CB TYR A 42 2.333 -5.528 -3.977 1.00 0.00 C ATOM 623 CG TYR A 42 0.804 -5.523 -3.998 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.097 -5.737 -2.832 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.130 -5.305 -5.182 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.343 -5.732 -2.851 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.309 -5.301 -5.202 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.975 -5.514 -4.036 1.00 0.00 C ATOM 629 OH TYR A 42 -3.335 -5.510 -4.054 1.00 0.00 O ATOM 0 H TYR A 42 1.980 -7.997 -5.349 1.00 0.00 H new ATOM 0 HA TYR A 42 3.983 -6.887 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.677 -4.904 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.700 -5.072 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.624 -5.908 -1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.683 -5.137 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.908 -5.897 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.848 -5.133 -6.123 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.650 -5.341 -4.967 1.00 0.00 H new ATOM 639 N GLN A 43 2.345 -7.369 -1.544 1.00 0.00 N ATOM 640 CA GLN A 43 1.647 -8.041 -0.461 1.00 0.00 C ATOM 641 C GLN A 43 1.028 -7.015 0.490 1.00 0.00 C ATOM 642 O GLN A 43 1.698 -6.075 0.916 1.00 0.00 O ATOM 643 CB GLN A 43 2.583 -8.990 0.290 1.00 0.00 C ATOM 644 CG GLN A 43 1.798 -10.119 0.959 1.00 0.00 C ATOM 645 CD GLN A 43 2.667 -10.862 1.977 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.945 -10.380 3.063 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.077 -12.058 1.568 1.00 0.00 N ATOM 0 H GLN A 43 2.981 -6.629 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 43 0.844 -8.640 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.313 -9.410 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.142 -8.435 1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.918 -9.710 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.441 -10.817 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.808 -12.402 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.661 -12.632 2.176 1.00 0.00 H new ATOM 656 N LEU A 44 -0.243 -7.228 0.794 1.00 0.00 N ATOM 657 CA LEU A 44 -0.960 -6.333 1.687 1.00 0.00 C ATOM 658 C LEU A 44 -0.533 -6.610 3.130 1.00 0.00 C ATOM 659 O LEU A 44 -0.762 -7.701 3.650 1.00 0.00 O ATOM 660 CB LEU A 44 -2.469 -6.444 1.460 1.00 0.00 C ATOM 661 CG LEU A 44 -3.208 -5.129 1.207 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.739 -5.065 -0.226 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.316 -4.915 2.240 1.00 0.00 C ATOM 0 H LEU A 44 -0.796 -8.008 0.438 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.705 -5.295 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.641 -7.104 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.913 -6.925 2.331 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.498 -4.310 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.260 -4.120 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.907 -5.138 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.429 -5.891 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.826 -3.973 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.032 -5.735 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.881 -4.884 3.239 1.00 0.00 H new ATOM 675 N VAL A 45 0.079 -5.603 3.736 1.00 0.00 N ATOM 676 CA VAL A 45 0.539 -5.725 5.109 1.00 0.00 C ATOM 677 C VAL A 45 -0.427 -4.982 6.034 1.00 0.00 C ATOM 678 O VAL A 45 -0.610 -3.773 5.905 1.00 0.00 O ATOM 679 CB VAL A 45 1.980 -5.224 5.224 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.400 -5.092 6.689 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.941 -6.136 4.458 1.00 0.00 C ATOM 0 H VAL A 45 0.267 -4.699 3.302 1.00 0.00 H new ATOM 0 HA VAL A 45 0.546 -6.770 5.418 1.00 0.00 H new ATOM 0 HB VAL A 45 2.027 -4.233 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.428 -4.734 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.743 -4.384 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.329 -6.064 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.958 -5.757 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.889 -7.145 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.662 -6.156 3.405 1.00 0.00 H new ATOM 691 N ASP A 46 -1.021 -5.738 6.946 1.00 0.00 N ATOM 692 CA ASP A 46 -1.964 -5.167 7.893 1.00 0.00 C ATOM 693 C ASP A 46 -1.204 -4.662 9.121 1.00 0.00 C ATOM 694 O ASP A 46 -0.745 -5.456 9.941 1.00 0.00 O ATOM 695 CB ASP A 46 -2.977 -6.213 8.360 1.00 0.00 C ATOM 696 CG ASP A 46 -4.023 -5.702 9.353 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.705 -4.719 10.057 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.117 -6.306 9.386 1.00 0.00 O ATOM 0 H ASP A 46 -0.867 -6.741 7.049 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.491 -4.353 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.492 -6.613 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.436 -7.041 8.819 1.00 0.00 H new ATOM 703 N ILE A 47 -1.096 -3.344 9.210 1.00 0.00 N ATOM 704 CA ILE A 47 -0.401 -2.724 10.325 1.00 0.00 C ATOM 705 C ILE A 47 -1.274 -2.813 11.578 1.00 0.00 C ATOM 706 O ILE A 47 -0.768 -3.035 12.677 1.00 0.00 O ATOM 707 CB ILE A 47 0.019 -1.297 9.968 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.204 -0.396 9.781 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.933 -1.285 8.740 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.783 1.035 9.443 1.00 0.00 C ATOM 0 H ILE A 47 -1.478 -2.689 8.528 1.00 0.00 H new ATOM 0 HA ILE A 47 0.524 -3.259 10.542 1.00 0.00 H new ATOM 0 HB ILE A 47 0.593 -0.892 10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.833 -0.792 8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.804 -0.397 10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.217 -0.259 8.508 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.828 -1.871 8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.405 -1.717 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.670 1.655 9.315 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.174 1.436 10.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.204 1.035 8.519 1.00 0.00 H new ATOM 722 N SER A 48 -2.570 -2.634 11.371 1.00 0.00 N ATOM 723 CA SER A 48 -3.518 -2.691 12.471 1.00 0.00 C ATOM 724 C SER A 48 -3.352 -4.005 13.237 1.00 0.00 C ATOM 725 O SER A 48 -3.396 -4.020 14.467 1.00 0.00 O ATOM 726 CB SER A 48 -4.956 -2.549 11.967 1.00 0.00 C ATOM 727 OG SER A 48 -5.909 -2.786 12.999 1.00 0.00 O ATOM 0 H SER A 48 -2.986 -2.449 10.458 1.00 0.00 H new ATOM 0 HA SER A 48 -3.313 -1.857 13.143 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.101 -1.547 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.125 -3.250 11.150 1.00 0.00 H new ATOM 0 HG SER A 48 -6.597 -3.403 12.673 1.00 0.00 H new ATOM 733 N GLN A 49 -3.166 -5.076 12.480 1.00 0.00 N ATOM 734 CA GLN A 49 -2.993 -6.391 13.072 1.00 0.00 C ATOM 735 C GLN A 49 -1.943 -6.339 14.183 1.00 0.00 C ATOM 736 O GLN A 49 -2.270 -6.492 15.359 1.00 0.00 O ATOM 737 CB GLN A 49 -2.617 -7.426 12.010 1.00 0.00 C ATOM 738 CG GLN A 49 -3.864 -8.101 11.437 1.00 0.00 C ATOM 739 CD GLN A 49 -4.123 -9.446 12.120 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.529 -10.461 11.796 1.00 0.00 O ATOM 741 NE2 GLN A 49 -5.041 -9.396 13.082 1.00 0.00 N ATOM 0 H GLN A 49 -3.131 -5.060 11.461 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.943 -6.698 13.510 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.059 -6.943 11.208 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.960 -8.178 12.447 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.728 -7.450 11.570 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.740 -8.252 10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.501 -8.513 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.285 -10.241 13.598 1.00 0.00 H new ATOM 750 N ASP A 50 -0.702 -6.122 13.771 1.00 0.00 N ATOM 751 CA ASP A 50 0.398 -6.048 14.717 1.00 0.00 C ATOM 752 C ASP A 50 0.785 -4.583 14.929 1.00 0.00 C ATOM 753 O ASP A 50 1.200 -3.905 13.990 1.00 0.00 O ATOM 754 CB ASP A 50 1.628 -6.791 14.191 1.00 0.00 C ATOM 755 CG ASP A 50 2.425 -7.554 15.251 1.00 0.00 C ATOM 756 OD1 ASP A 50 3.251 -6.898 15.921 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.190 -8.776 15.366 1.00 0.00 O ATOM 0 H ASP A 50 -0.434 -5.995 12.795 1.00 0.00 H new ATOM 0 HA ASP A 50 0.072 -6.507 15.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.308 -7.495 13.423 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.290 -6.072 13.709 1.00 0.00 H new ATOM 762 N ASN A 51 0.636 -4.138 16.168 1.00 0.00 N ATOM 763 CA ASN A 51 0.965 -2.765 16.514 1.00 0.00 C ATOM 764 C ASN A 51 2.371 -2.439 16.006 1.00 0.00 C ATOM 765 O ASN A 51 2.611 -1.346 15.494 1.00 0.00 O ATOM 766 CB ASN A 51 0.951 -2.562 18.031 1.00 0.00 C ATOM 767 CG ASN A 51 1.077 -1.079 18.386 1.00 0.00 C ATOM 768 OD1 ASN A 51 0.105 -0.344 18.445 1.00 0.00 O ATOM 769 ND2 ASN A 51 2.325 -0.682 18.618 1.00 0.00 N ATOM 0 H ASN A 51 0.292 -4.703 16.944 1.00 0.00 H new ATOM 0 HA ASN A 51 0.221 -2.113 16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.026 -2.962 18.447 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.771 -3.119 18.484 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.514 0.290 18.862 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.093 -1.350 18.551 1.00 0.00 H new ATOM 776 N ALA A 52 3.263 -3.405 16.166 1.00 0.00 N ATOM 777 CA ALA A 52 4.638 -3.234 15.731 1.00 0.00 C ATOM 778 C ALA A 52 4.651 -2.666 14.310 1.00 0.00 C ATOM 779 O ALA A 52 5.249 -1.620 14.061 1.00 0.00 O ATOM 780 CB ALA A 52 5.376 -4.570 15.831 1.00 0.00 C ATOM 0 H ALA A 52 3.060 -4.310 16.591 1.00 0.00 H new ATOM 0 HA ALA A 52 5.159 -2.525 16.375 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.408 -4.441 15.504 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.363 -4.916 16.864 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.884 -5.306 15.196 1.00 0.00 H new ATOM 786 N LEU A 53 3.985 -3.381 13.415 1.00 0.00 N ATOM 787 CA LEU A 53 3.913 -2.961 12.026 1.00 0.00 C ATOM 788 C LEU A 53 3.724 -1.444 11.965 1.00 0.00 C ATOM 789 O LEU A 53 4.543 -0.736 11.380 1.00 0.00 O ATOM 790 CB LEU A 53 2.828 -3.746 11.285 1.00 0.00 C ATOM 791 CG LEU A 53 3.141 -5.216 10.999 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.874 -6.070 11.068 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.865 -5.372 9.660 1.00 0.00 C ATOM 0 H LEU A 53 3.491 -4.248 13.625 1.00 0.00 H new ATOM 0 HA LEU A 53 4.847 -3.187 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.909 -3.698 11.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.629 -3.246 10.337 1.00 0.00 H new ATOM 0 HG LEU A 53 3.816 -5.578 11.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.125 -7.110 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.437 -5.993 12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.156 -5.716 10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.076 -6.426 9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.235 -4.987 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.801 -4.814 9.685 1.00 0.00 H new ATOM 805 N ARG A 54 2.641 -0.989 12.577 1.00 0.00 N ATOM 806 CA ARG A 54 2.335 0.431 12.600 1.00 0.00 C ATOM 807 C ARG A 54 3.619 1.248 12.756 1.00 0.00 C ATOM 808 O ARG A 54 3.817 2.240 12.055 1.00 0.00 O ATOM 809 CB ARG A 54 1.380 0.770 13.746 1.00 0.00 C ATOM 810 CG ARG A 54 0.562 2.023 13.426 1.00 0.00 C ATOM 811 CD ARG A 54 -0.708 2.080 14.277 1.00 0.00 C ATOM 812 NE ARG A 54 -1.134 3.486 14.456 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.299 3.854 15.007 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.162 2.922 15.435 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.602 5.154 15.129 1.00 0.00 N ATOM 0 H ARG A 54 1.964 -1.579 13.061 1.00 0.00 H new ATOM 0 HA ARG A 54 1.853 0.682 11.655 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.709 -0.070 13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.948 0.927 14.663 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.166 2.912 13.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.296 2.028 12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.503 1.509 13.798 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.526 1.620 15.248 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.501 4.221 14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.932 1.933 15.341 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.049 3.202 15.854 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.946 5.863 14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.489 5.434 15.548 1.00 0.00 H new ATOM 829 N ASP A 55 4.458 0.802 13.680 1.00 0.00 N ATOM 830 CA ASP A 55 5.717 1.480 13.937 1.00 0.00 C ATOM 831 C ASP A 55 6.685 1.203 12.784 1.00 0.00 C ATOM 832 O ASP A 55 7.172 2.132 12.142 1.00 0.00 O ATOM 833 CB ASP A 55 6.362 0.973 15.228 1.00 0.00 C ATOM 834 CG ASP A 55 7.313 1.961 15.907 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.015 3.173 15.839 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.316 1.482 16.478 1.00 0.00 O ATOM 0 H ASP A 55 4.290 -0.020 14.260 1.00 0.00 H new ATOM 0 HA ASP A 55 5.513 2.547 14.031 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.572 0.710 15.932 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.910 0.057 15.007 1.00 0.00 H new ATOM 841 N GLU A 56 6.933 -0.078 12.558 1.00 0.00 N ATOM 842 CA GLU A 56 7.834 -0.489 11.494 1.00 0.00 C ATOM 843 C GLU A 56 7.606 0.366 10.246 1.00 0.00 C ATOM 844 O GLU A 56 8.560 0.850 9.639 1.00 0.00 O ATOM 845 CB GLU A 56 7.667 -1.977 11.178 1.00 0.00 C ATOM 846 CG GLU A 56 8.526 -2.835 12.109 1.00 0.00 C ATOM 847 CD GLU A 56 9.125 -4.026 11.358 1.00 0.00 C ATOM 848 OE1 GLU A 56 8.423 -4.545 10.463 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.271 -4.391 11.696 1.00 0.00 O ATOM 0 H GLU A 56 6.526 -0.845 13.093 1.00 0.00 H new ATOM 0 HA GLU A 56 8.859 -0.336 11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.619 -2.259 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.947 -2.166 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.326 -2.228 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.921 -3.193 12.942 1.00 0.00 H new ATOM 856 N MET A 57 6.337 0.525 9.900 1.00 0.00 N ATOM 857 CA MET A 57 5.972 1.313 8.735 1.00 0.00 C ATOM 858 C MET A 57 6.465 2.755 8.872 1.00 0.00 C ATOM 859 O MET A 57 7.215 3.241 8.027 1.00 0.00 O ATOM 860 CB MET A 57 4.451 1.307 8.571 1.00 0.00 C ATOM 861 CG MET A 57 4.028 2.123 7.348 1.00 0.00 C ATOM 862 SD MET A 57 3.891 3.849 7.783 1.00 0.00 S ATOM 863 CE MET A 57 2.729 3.736 9.134 1.00 0.00 C ATOM 0 H MET A 57 5.549 0.122 10.406 1.00 0.00 H new ATOM 0 HA MET A 57 6.443 0.870 7.858 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.097 0.281 8.468 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.984 1.718 9.466 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.757 1.998 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.073 1.758 6.970 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.111 4.634 9.158 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.093 2.861 8.995 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.272 3.644 10.074 1.00 0.00 H new ATOM 873 N ARG A 58 6.024 3.398 9.943 1.00 0.00 N ATOM 874 CA ARG A 58 6.411 4.775 10.201 1.00 0.00 C ATOM 875 C ARG A 58 7.924 4.938 10.048 1.00 0.00 C ATOM 876 O ARG A 58 8.387 5.809 9.312 1.00 0.00 O ATOM 877 CB ARG A 58 5.998 5.208 11.609 1.00 0.00 C ATOM 878 CG ARG A 58 4.640 5.912 11.590 1.00 0.00 C ATOM 879 CD ARG A 58 3.781 5.480 12.781 1.00 0.00 C ATOM 880 NE ARG A 58 4.557 5.603 14.035 1.00 0.00 N ATOM 881 CZ ARG A 58 4.019 5.534 15.261 1.00 0.00 C ATOM 882 NH1 ARG A 58 2.701 5.341 15.404 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.800 5.657 16.343 1.00 0.00 N ATOM 0 H ARG A 58 5.403 2.991 10.642 1.00 0.00 H new ATOM 0 HA ARG A 58 5.899 5.406 9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.951 4.337 12.262 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.752 5.877 12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.786 6.992 11.615 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.120 5.682 10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.884 6.097 12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.451 4.450 12.647 1.00 0.00 H new ATOM 0 HE ARG A 58 5.564 5.749 13.962 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.107 5.247 14.580 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.291 5.288 16.337 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.804 5.803 16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.391 5.605 17.276 1.00 0.00 H new ATOM 897 N THR A 59 8.654 4.087 10.754 1.00 0.00 N ATOM 898 CA THR A 59 10.105 4.126 10.706 1.00 0.00 C ATOM 899 C THR A 59 10.594 4.025 9.259 1.00 0.00 C ATOM 900 O THR A 59 11.268 4.926 8.763 1.00 0.00 O ATOM 901 CB THR A 59 10.639 3.011 11.607 1.00 0.00 C ATOM 902 OG1 THR A 59 10.551 3.555 12.921 1.00 0.00 O ATOM 903 CG2 THR A 59 12.135 2.762 11.407 1.00 0.00 C ATOM 0 H THR A 59 8.267 3.366 11.363 1.00 0.00 H new ATOM 0 HA THR A 59 10.487 5.076 11.080 1.00 0.00 H new ATOM 0 HB THR A 59 10.089 2.091 11.410 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.876 2.897 13.570 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.462 1.961 12.070 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.321 2.475 10.372 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.689 3.672 11.636 1.00 0.00 H new ATOM 911 N LEU A 60 10.234 2.919 8.624 1.00 0.00 N ATOM 912 CA LEU A 60 10.628 2.688 7.244 1.00 0.00 C ATOM 913 C LEU A 60 10.331 3.941 6.417 1.00 0.00 C ATOM 914 O LEU A 60 11.212 4.460 5.732 1.00 0.00 O ATOM 915 CB LEU A 60 9.961 1.422 6.702 1.00 0.00 C ATOM 916 CG LEU A 60 10.582 0.095 7.144 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.673 -1.082 6.786 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.990 -0.071 6.567 1.00 0.00 C ATOM 0 H LEU A 60 9.674 2.174 9.039 1.00 0.00 H new ATOM 0 HA LEU A 60 11.701 2.509 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.914 1.429 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.979 1.464 5.613 1.00 0.00 H new ATOM 0 HG LEU A 60 10.679 0.108 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.138 -2.013 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.711 -0.963 7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.522 -1.110 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.408 -1.022 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.941 -0.054 5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.624 0.744 6.915 1.00 0.00 H new ATOM 930 N ALA A 61 9.089 4.391 6.508 1.00 0.00 N ATOM 931 CA ALA A 61 8.665 5.573 5.777 1.00 0.00 C ATOM 932 C ALA A 61 9.621 6.728 6.085 1.00 0.00 C ATOM 933 O ALA A 61 10.174 7.341 5.173 1.00 0.00 O ATOM 934 CB ALA A 61 7.216 5.904 6.136 1.00 0.00 C ATOM 0 H ALA A 61 8.362 3.958 7.077 1.00 0.00 H new ATOM 0 HA ALA A 61 8.701 5.393 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.899 6.791 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.574 5.064 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.141 6.094 7.207 1.00 0.00 H new ATOM 940 N GLY A 62 9.786 6.989 7.373 1.00 0.00 N ATOM 941 CA GLY A 62 10.666 8.059 7.813 1.00 0.00 C ATOM 942 C GLY A 62 9.881 9.145 8.552 1.00 0.00 C ATOM 943 O GLY A 62 10.205 10.327 8.451 1.00 0.00 O ATOM 0 H GLY A 62 9.326 6.478 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.438 7.654 8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.174 8.494 6.952 1.00 0.00 H new ATOM 947 N ASN A 63 8.863 8.705 9.277 1.00 0.00 N ATOM 948 CA ASN A 63 8.029 9.624 10.032 1.00 0.00 C ATOM 949 C ASN A 63 7.059 8.827 10.906 1.00 0.00 C ATOM 950 O ASN A 63 6.369 7.933 10.418 1.00 0.00 O ATOM 951 CB ASN A 63 7.204 10.512 9.099 1.00 0.00 C ATOM 952 CG ASN A 63 6.960 11.888 9.724 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.867 12.552 10.197 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.689 12.276 9.699 1.00 0.00 N ATOM 0 H ASN A 63 8.597 7.724 9.357 1.00 0.00 H new ATOM 0 HA ASN A 63 8.682 10.249 10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.724 10.628 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.249 10.032 8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.424 13.179 10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.979 11.670 9.287 1.00 0.00 H new ATOM 961 N PRO A 64 7.038 9.187 12.217 1.00 0.00 N ATOM 962 CA PRO A 64 6.164 8.515 13.164 1.00 0.00 C ATOM 963 C PRO A 64 4.711 8.961 12.982 1.00 0.00 C ATOM 964 O PRO A 64 3.786 8.187 13.220 1.00 0.00 O ATOM 965 CB PRO A 64 6.724 8.864 14.533 1.00 0.00 C ATOM 966 CG PRO A 64 7.603 10.086 14.325 1.00 0.00 C ATOM 967 CD PRO A 64 7.841 10.240 12.831 1.00 0.00 C ATOM 0 HA PRO A 64 6.141 7.435 13.021 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.922 9.076 15.240 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.300 8.034 14.943 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.121 10.976 14.729 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.550 9.970 14.852 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.535 11.226 12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.897 10.127 12.585 1.00 0.00 H new ATOM 975 N LYS A 65 4.557 10.207 12.560 1.00 0.00 N ATOM 976 CA LYS A 65 3.233 10.766 12.343 1.00 0.00 C ATOM 977 C LYS A 65 2.806 10.506 10.896 1.00 0.00 C ATOM 978 O LYS A 65 2.261 11.391 10.238 1.00 0.00 O ATOM 979 CB LYS A 65 3.204 12.244 12.737 1.00 0.00 C ATOM 980 CG LYS A 65 2.850 12.410 14.216 1.00 0.00 C ATOM 981 CD LYS A 65 1.334 12.475 14.413 1.00 0.00 C ATOM 982 CE LYS A 65 0.980 13.256 15.680 1.00 0.00 C ATOM 983 NZ LYS A 65 0.018 14.337 15.369 1.00 0.00 N ATOM 0 H LYS A 65 5.327 10.846 12.362 1.00 0.00 H new ATOM 0 HA LYS A 65 2.502 10.275 12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.176 12.696 12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.475 12.773 12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.259 11.577 14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.310 13.319 14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.871 12.949 13.548 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.928 11.465 14.478 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.552 12.582 16.422 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.884 13.680 16.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.212 14.858 16.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.440 14.989 14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.851 13.925 14.972 1.00 0.00 H new ATOM 997 N ALA A 66 3.070 9.289 10.444 1.00 0.00 N ATOM 998 CA ALA A 66 2.720 8.902 9.088 1.00 0.00 C ATOM 999 C ALA A 66 1.424 8.089 9.113 1.00 0.00 C ATOM 1000 O ALA A 66 0.901 7.781 10.183 1.00 0.00 O ATOM 1001 CB ALA A 66 3.882 8.128 8.462 1.00 0.00 C ATOM 0 H ALA A 66 3.522 8.558 10.993 1.00 0.00 H new ATOM 0 HA ALA A 66 2.545 9.783 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.620 7.838 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.770 8.759 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.085 7.235 9.053 1.00 0.00 H new ATOM 1007 N THR A 67 0.943 7.766 7.922 1.00 0.00 N ATOM 1008 CA THR A 67 -0.282 6.995 7.793 1.00 0.00 C ATOM 1009 C THR A 67 -0.309 6.256 6.454 1.00 0.00 C ATOM 1010 O THR A 67 0.417 6.615 5.528 1.00 0.00 O ATOM 1011 CB THR A 67 -1.463 7.949 7.985 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.230 8.985 7.035 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.424 8.665 9.336 1.00 0.00 C ATOM 0 H THR A 67 1.379 8.024 7.037 1.00 0.00 H new ATOM 0 HA THR A 67 -0.344 6.220 8.557 1.00 0.00 H new ATOM 0 HB THR A 67 -2.397 7.393 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.950 9.647 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.284 9.329 9.421 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.454 7.929 10.139 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.506 9.248 9.412 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.176 5.210 6.392 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.307 4.417 5.182 1.00 0.00 C ATOM 1023 C PRO A 68 -2.093 5.176 4.112 1.00 0.00 C ATOM 1024 O PRO A 68 -2.725 6.190 4.403 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.992 3.134 5.624 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.635 3.446 6.966 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.051 4.756 7.469 1.00 0.00 C ATOM 0 HA PRO A 68 -0.346 4.199 4.716 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.740 2.820 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.274 2.319 5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.717 3.526 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.442 2.643 7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.834 5.485 7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.496 4.612 8.396 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.027 4.642 2.862 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.256 3.438 2.603 1.00 0.00 C ATOM 1037 C PRO A 69 0.244 3.739 2.591 1.00 0.00 C ATOM 1038 O PRO A 69 0.655 4.872 2.840 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.769 2.922 1.269 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.472 4.098 0.610 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.682 5.168 1.668 1.00 0.00 C ATOM 0 HA PRO A 69 -1.379 2.684 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.949 2.560 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.455 2.087 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.874 4.488 -0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.427 3.785 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.244 6.118 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.743 5.348 1.845 1.00 0.00 H new ATOM 1049 N GLN A 70 1.020 2.706 2.300 1.00 0.00 N ATOM 1050 CA GLN A 70 2.466 2.846 2.252 1.00 0.00 C ATOM 1051 C GLN A 70 3.072 1.787 1.329 1.00 0.00 C ATOM 1052 O GLN A 70 3.005 0.594 1.619 1.00 0.00 O ATOM 1053 CB GLN A 70 3.071 2.761 3.655 1.00 0.00 C ATOM 1054 CG GLN A 70 3.967 3.969 3.939 1.00 0.00 C ATOM 1055 CD GLN A 70 3.185 5.077 4.647 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.259 4.833 5.403 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.608 6.305 4.360 1.00 0.00 N ATOM 0 H GLN A 70 0.675 1.768 2.095 1.00 0.00 H new ATOM 0 HA GLN A 70 2.703 3.830 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.274 2.713 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.651 1.843 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.811 3.663 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.378 4.349 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.390 6.438 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.151 7.113 4.782 1.00 0.00 H new ATOM 1066 N ILE A 71 3.648 2.262 0.234 1.00 0.00 N ATOM 1067 CA ILE A 71 4.265 1.372 -0.734 1.00 0.00 C ATOM 1068 C ILE A 71 5.728 1.143 -0.350 1.00 0.00 C ATOM 1069 O ILE A 71 6.488 2.098 -0.190 1.00 0.00 O ATOM 1070 CB ILE A 71 4.078 1.911 -2.153 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.596 2.119 -2.470 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.762 1.004 -3.178 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.263 3.608 -2.584 1.00 0.00 C ATOM 0 H ILE A 71 3.700 3.252 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 71 3.776 0.398 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 71 4.560 2.887 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.346 1.614 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.986 1.665 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.614 1.410 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.829 0.951 -2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.331 0.004 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.203 3.728 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.491 4.105 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.857 4.054 -3.382 1.00 0.00 H new ATOM 1085 N VAL A 72 6.080 -0.127 -0.213 1.00 0.00 N ATOM 1086 CA VAL A 72 7.439 -0.492 0.149 1.00 0.00 C ATOM 1087 C VAL A 72 7.973 -1.514 -0.857 1.00 0.00 C ATOM 1088 O VAL A 72 7.239 -2.397 -1.299 1.00 0.00 O ATOM 1089 CB VAL A 72 7.478 -0.998 1.592 1.00 0.00 C ATOM 1090 CG1 VAL A 72 8.919 -1.206 2.062 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.729 -0.046 2.527 1.00 0.00 C ATOM 0 H VAL A 72 5.448 -0.916 -0.346 1.00 0.00 H new ATOM 0 HA VAL A 72 8.093 0.379 0.106 1.00 0.00 H new ATOM 0 HB VAL A 72 6.973 -1.964 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.918 -1.566 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.408 -1.940 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.459 -0.261 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.772 -0.429 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.192 0.940 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.688 0.030 2.211 1.00 0.00 H new ATOM 1101 N ASN A 73 9.246 -1.359 -1.190 1.00 0.00 N ATOM 1102 CA ASN A 73 9.886 -2.257 -2.136 1.00 0.00 C ATOM 1103 C ASN A 73 11.050 -2.972 -1.446 1.00 0.00 C ATOM 1104 O ASN A 73 12.104 -2.378 -1.223 1.00 0.00 O ATOM 1105 CB ASN A 73 10.447 -1.488 -3.333 1.00 0.00 C ATOM 1106 CG ASN A 73 10.484 -2.369 -4.583 1.00 0.00 C ATOM 1107 OD1 ASN A 73 9.809 -1.872 -5.615 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 11.085 -3.430 -4.609 1.00 0.00 N flip ATOM 0 H ASN A 73 9.851 -0.625 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 73 9.138 -2.969 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.834 -0.607 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.452 -1.134 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.584 -3.754 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.089 -3.993 -5.459 1.00 0.00 H new ATOM 1115 N GLY A 74 10.820 -4.237 -1.127 1.00 0.00 N ATOM 1116 CA GLY A 74 11.836 -5.039 -0.467 1.00 0.00 C ATOM 1117 C GLY A 74 12.629 -4.202 0.539 1.00 0.00 C ATOM 1118 O GLY A 74 13.832 -4.006 0.378 1.00 0.00 O ATOM 0 H GLY A 74 9.945 -4.726 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.366 -5.879 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.514 -5.458 -1.211 1.00 0.00 H new ATOM 1122 N ASN A 75 11.921 -3.729 1.554 1.00 0.00 N ATOM 1123 CA ASN A 75 12.543 -2.917 2.586 1.00 0.00 C ATOM 1124 C ASN A 75 12.560 -1.454 2.136 1.00 0.00 C ATOM 1125 O ASN A 75 12.227 -0.559 2.911 1.00 0.00 O ATOM 1126 CB ASN A 75 13.988 -3.352 2.833 1.00 0.00 C ATOM 1127 CG ASN A 75 14.398 -3.093 4.284 1.00 0.00 C ATOM 1128 OD1 ASN A 75 14.503 -3.996 5.098 1.00 0.00 O ATOM 1129 ND2 ASN A 75 14.625 -1.812 4.562 1.00 0.00 N ATOM 0 H ASN A 75 10.923 -3.893 1.684 1.00 0.00 H new ATOM 0 HA ASN A 75 11.968 -3.039 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.097 -4.412 2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.654 -2.811 2.161 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.905 -1.536 5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.519 -1.106 3.834 1.00 0.00 H new ATOM 1136 N HIS A 76 12.952 -1.257 0.886 1.00 0.00 N ATOM 1137 CA HIS A 76 13.018 0.081 0.324 1.00 0.00 C ATOM 1138 C HIS A 76 11.662 0.771 0.483 1.00 0.00 C ATOM 1139 O HIS A 76 10.633 0.107 0.597 1.00 0.00 O ATOM 1140 CB HIS A 76 13.494 0.037 -1.129 1.00 0.00 C ATOM 1141 CG HIS A 76 14.719 -0.817 -1.349 1.00 0.00 C ATOM 1142 ND1 HIS A 76 15.913 -0.602 -0.682 1.00 0.00 N ATOM 1143 CD2 HIS A 76 14.923 -1.890 -2.166 1.00 0.00 C ATOM 1144 CE1 HIS A 76 16.789 -1.509 -1.088 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.173 -2.306 -2.009 1.00 0.00 N ATOM 0 H HIS A 76 13.227 -2.002 0.246 1.00 0.00 H new ATOM 0 HA HIS A 76 13.754 0.672 0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.684 -0.339 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.708 1.053 -1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.191 -2.327 -2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.811 -1.601 -0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.603 -3.092 -2.496 1.00 0.00 H new ATOM 1153 N TYR A 77 11.704 2.095 0.486 1.00 0.00 N ATOM 1154 CA TYR A 77 10.492 2.883 0.629 1.00 0.00 C ATOM 1155 C TYR A 77 10.202 3.680 -0.644 1.00 0.00 C ATOM 1156 O TYR A 77 11.108 4.271 -1.230 1.00 0.00 O ATOM 1157 CB TYR A 77 10.756 3.858 1.779 1.00 0.00 C ATOM 1158 CG TYR A 77 9.612 4.841 2.035 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.318 4.377 2.161 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.874 6.192 2.142 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.242 5.303 2.402 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.798 7.117 2.383 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.535 6.627 2.502 1.00 0.00 C ATOM 1164 OH TYR A 77 6.518 7.501 2.730 1.00 0.00 O ATOM 0 H TYR A 77 12.559 2.642 0.392 1.00 0.00 H new ATOM 0 HA TYR A 77 9.634 2.237 0.817 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.943 3.288 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.664 4.421 1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.113 3.320 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.887 6.555 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.225 4.954 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.989 8.177 2.467 1.00 0.00 H new ATOM 0 HH TYR A 77 6.875 8.412 2.779 1.00 0.00 H new ATOM 1174 N CYS A 78 8.936 3.672 -1.034 1.00 0.00 N ATOM 1175 CA CYS A 78 8.516 4.387 -2.227 1.00 0.00 C ATOM 1176 C CYS A 78 7.943 5.740 -1.799 1.00 0.00 C ATOM 1177 O CYS A 78 8.462 6.787 -2.183 1.00 0.00 O ATOM 1178 CB CYS A 78 7.511 3.576 -3.048 1.00 0.00 C ATOM 1179 SG CYS A 78 8.155 1.887 -3.333 1.00 0.00 S ATOM 0 H CYS A 78 8.187 3.182 -0.545 1.00 0.00 H new ATOM 0 HA CYS A 78 9.374 4.547 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.556 3.527 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.326 4.069 -4.002 1.00 0.00 H new ATOM 0 HG CYS A 78 7.861 1.133 -2.316 1.00 0.00 H new ATOM 1185 N GLY A 79 6.881 5.674 -1.010 1.00 0.00 N ATOM 1186 CA GLY A 79 6.232 6.881 -0.526 1.00 0.00 C ATOM 1187 C GLY A 79 4.809 6.585 -0.048 1.00 0.00 C ATOM 1188 O GLY A 79 4.510 5.465 0.365 1.00 0.00 O ATOM 0 H GLY A 79 6.453 4.804 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.813 7.307 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.205 7.627 -1.320 1.00 0.00 H new ATOM 1192 N ASP A 80 3.970 7.607 -0.120 1.00 0.00 N ATOM 1193 CA ASP A 80 2.586 7.471 0.301 1.00 0.00 C ATOM 1194 C ASP A 80 1.676 7.537 -0.927 1.00 0.00 C ATOM 1195 O ASP A 80 2.137 7.823 -2.031 1.00 0.00 O ATOM 1196 CB ASP A 80 2.184 8.602 1.249 1.00 0.00 C ATOM 1197 CG ASP A 80 1.867 9.935 0.568 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.766 10.440 -0.138 1.00 0.00 O ATOM 1199 OD2 ASP A 80 0.732 10.418 0.768 1.00 0.00 O ATOM 0 H ASP A 80 4.222 8.534 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 80 2.483 6.516 0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.310 8.285 1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.991 8.760 1.965 1.00 0.00 H new ATOM 1204 N TYR A 81 0.400 7.268 -0.694 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.579 7.294 -1.767 1.00 0.00 C ATOM 1206 C TYR A 81 -0.360 8.502 -2.680 1.00 0.00 C ATOM 1207 O TYR A 81 -0.429 8.381 -3.902 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.945 7.423 -1.089 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.085 7.771 -2.048 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.334 9.088 -2.375 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.865 6.767 -2.586 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.408 9.415 -3.278 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.938 7.094 -3.489 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.156 8.402 -3.790 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.170 8.711 -4.643 1.00 0.00 O ATOM 0 H TYR A 81 0.021 7.031 0.223 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.500 6.396 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.180 6.485 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.885 8.191 -0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.724 9.874 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.670 5.736 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.614 10.442 -3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.555 6.318 -3.917 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.239 8.019 -5.334 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.101 9.639 -2.052 1.00 0.00 N ATOM 1226 CA GLU A 82 0.129 10.868 -2.793 1.00 0.00 C ATOM 1227 C GLU A 82 1.253 10.670 -3.812 1.00 0.00 C ATOM 1228 O GLU A 82 1.022 10.748 -5.018 1.00 0.00 O ATOM 1229 CB GLU A 82 0.445 12.028 -1.846 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.840 12.666 -1.314 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.854 14.173 -1.580 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.915 14.538 -2.774 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.804 14.926 -0.584 1.00 0.00 O ATOM 0 H GLU A 82 -0.045 9.736 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.784 11.121 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.049 11.668 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.038 12.778 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.704 12.201 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.926 12.481 -0.243 1.00 0.00 H new ATOM 1240 N LEU A 83 2.444 10.419 -3.291 1.00 0.00 N ATOM 1241 CA LEU A 83 3.604 10.210 -4.140 1.00 0.00 C ATOM 1242 C LEU A 83 3.204 9.349 -5.340 1.00 0.00 C ATOM 1243 O LEU A 83 3.420 9.737 -6.487 1.00 0.00 O ATOM 1244 CB LEU A 83 4.766 9.633 -3.329 1.00 0.00 C ATOM 1245 CG LEU A 83 5.729 10.653 -2.718 1.00 0.00 C ATOM 1246 CD1 LEU A 83 4.990 11.927 -2.306 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.509 10.041 -1.553 1.00 0.00 C ATOM 0 H LEU A 83 2.631 10.356 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 83 3.963 11.161 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.354 9.024 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.337 8.965 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 83 6.456 10.935 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.698 12.635 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.518 12.373 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.226 11.682 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.186 10.787 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.813 9.712 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.085 9.187 -1.909 1.00 0.00 H new ATOM 1259 N PHE A 84 2.628 8.196 -5.034 1.00 0.00 N ATOM 1260 CA PHE A 84 2.196 7.276 -6.072 1.00 0.00 C ATOM 1261 C PHE A 84 1.423 8.012 -7.169 1.00 0.00 C ATOM 1262 O PHE A 84 1.858 8.053 -8.319 1.00 0.00 O ATOM 1263 CB PHE A 84 1.269 6.256 -5.408 1.00 0.00 C ATOM 1264 CG PHE A 84 1.024 4.999 -6.247 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.953 4.006 -6.271 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.122 4.876 -6.968 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.726 2.841 -7.050 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.350 3.710 -7.746 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.580 2.717 -7.771 1.00 0.00 C ATOM 0 H PHE A 84 2.450 7.878 -4.081 1.00 0.00 H new ATOM 0 HA PHE A 84 3.062 6.800 -6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.696 5.963 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.312 6.733 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.863 4.104 -5.698 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.859 5.665 -6.949 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.464 2.053 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.261 3.611 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.408 1.831 -8.363 1.00 0.00 H new ATOM 1279 N VAL A 85 0.290 8.574 -6.774 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.548 9.306 -7.710 1.00 0.00 C ATOM 1281 C VAL A 85 0.329 10.230 -8.557 1.00 0.00 C ATOM 1282 O VAL A 85 0.198 10.267 -9.780 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.647 10.053 -6.953 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.351 11.553 -6.896 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.019 9.788 -7.576 1.00 0.00 C ATOM 0 H VAL A 85 -0.067 8.538 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.050 8.620 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.665 9.676 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.148 12.061 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.402 11.717 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.292 11.951 -7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.783 10.331 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.019 10.124 -8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.234 8.720 -7.541 1.00 0.00 H new ATOM 1295 N GLU A 86 1.204 10.953 -7.874 1.00 0.00 N ATOM 1296 CA GLU A 86 2.102 11.875 -8.549 1.00 0.00 C ATOM 1297 C GLU A 86 2.837 11.163 -9.687 1.00 0.00 C ATOM 1298 O GLU A 86 2.769 11.590 -10.838 1.00 0.00 O ATOM 1299 CB GLU A 86 3.091 12.498 -7.562 1.00 0.00 C ATOM 1300 CG GLU A 86 3.372 13.959 -7.916 1.00 0.00 C ATOM 1301 CD GLU A 86 4.779 14.370 -7.476 1.00 0.00 C ATOM 1302 OE1 GLU A 86 4.901 14.823 -6.318 1.00 0.00 O ATOM 1303 OE2 GLU A 86 5.699 14.222 -8.308 1.00 0.00 O ATOM 0 H GLU A 86 1.310 10.919 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 86 1.508 12.683 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.689 12.436 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.023 11.933 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.267 14.103 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.635 14.602 -7.435 1.00 0.00 H new ATOM 1310 N ALA A 87 3.522 10.088 -9.324 1.00 0.00 N ATOM 1311 CA ALA A 87 4.268 9.312 -10.300 1.00 0.00 C ATOM 1312 C ALA A 87 3.303 8.753 -11.348 1.00 0.00 C ATOM 1313 O ALA A 87 3.462 9.006 -12.541 1.00 0.00 O ATOM 1314 CB ALA A 87 5.054 8.211 -9.585 1.00 0.00 C ATOM 0 H ALA A 87 3.576 9.736 -8.368 1.00 0.00 H new ATOM 0 HA ALA A 87 4.989 9.942 -10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.613 7.629 -10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.746 8.661 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.363 7.557 -9.054 1.00 0.00 H new ATOM 1320 N VAL A 88 2.324 8.004 -10.863 1.00 0.00 N ATOM 1321 CA VAL A 88 1.333 7.407 -11.743 1.00 0.00 C ATOM 1322 C VAL A 88 0.880 8.445 -12.771 1.00 0.00 C ATOM 1323 O VAL A 88 0.823 8.156 -13.966 1.00 0.00 O ATOM 1324 CB VAL A 88 0.177 6.838 -10.918 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.018 6.498 -11.811 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.625 5.616 -10.114 1.00 0.00 C ATOM 0 H VAL A 88 2.195 7.797 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 88 1.764 6.571 -12.294 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.139 7.606 -10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.826 6.095 -11.200 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.361 7.400 -12.318 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.719 5.756 -12.552 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.216 5.232 -9.537 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.981 4.843 -10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.430 5.901 -9.436 1.00 0.00 H new ATOM 1336 N GLU A 89 0.568 9.631 -12.271 1.00 0.00 N ATOM 1337 CA GLU A 89 0.121 10.713 -13.131 1.00 0.00 C ATOM 1338 C GLU A 89 1.242 11.128 -14.087 1.00 0.00 C ATOM 1339 O GLU A 89 1.016 11.280 -15.286 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.365 11.906 -12.306 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.626 11.548 -11.517 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.793 12.457 -11.907 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.086 12.515 -13.121 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.367 13.073 -10.983 1.00 0.00 O ATOM 0 H GLU A 89 0.616 9.867 -11.280 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.722 10.356 -13.722 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.420 12.223 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.571 12.749 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.893 10.508 -11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.430 11.640 -10.449 1.00 0.00 H new ATOM 1351 N GLN A 90 2.427 11.300 -13.519 1.00 0.00 N ATOM 1352 CA GLN A 90 3.583 11.695 -14.305 1.00 0.00 C ATOM 1353 C GLN A 90 3.976 10.575 -15.270 1.00 0.00 C ATOM 1354 O GLN A 90 4.788 10.783 -16.171 1.00 0.00 O ATOM 1355 CB GLN A 90 4.757 12.076 -13.401 1.00 0.00 C ATOM 1356 CG GLN A 90 4.570 13.480 -12.822 1.00 0.00 C ATOM 1357 CD GLN A 90 4.484 14.525 -13.937 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.459 14.854 -14.591 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.265 15.028 -14.114 1.00 0.00 N ATOM 0 H GLN A 90 2.611 11.173 -12.524 1.00 0.00 H new ATOM 0 HA GLN A 90 3.317 12.576 -14.889 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.846 11.353 -12.590 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.686 12.034 -13.969 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.663 13.511 -12.219 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.402 13.718 -12.159 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.492 14.708 -13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.104 15.734 -14.833 1.00 0.00 H new ATOM 1368 N ASP A 91 3.382 9.411 -15.050 1.00 0.00 N ATOM 1369 CA ASP A 91 3.660 8.258 -15.889 1.00 0.00 C ATOM 1370 C ASP A 91 5.056 7.722 -15.565 1.00 0.00 C ATOM 1371 O ASP A 91 5.724 7.157 -16.430 1.00 0.00 O ATOM 1372 CB ASP A 91 3.630 8.635 -17.371 1.00 0.00 C ATOM 1373 CG ASP A 91 2.700 7.783 -18.237 1.00 0.00 C ATOM 1374 OD1 ASP A 91 3.047 6.601 -18.449 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.664 8.333 -18.668 1.00 0.00 O ATOM 0 H ASP A 91 2.709 9.242 -14.302 1.00 0.00 H new ATOM 0 HA ASP A 91 2.896 7.506 -15.693 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.328 9.679 -17.459 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.642 8.561 -17.770 1.00 0.00 H new ATOM 1380 N THR A 92 5.455 7.917 -14.317 1.00 0.00 N ATOM 1381 CA THR A 92 6.759 7.460 -13.869 1.00 0.00 C ATOM 1382 C THR A 92 6.617 6.579 -12.625 1.00 0.00 C ATOM 1383 O THR A 92 7.509 6.547 -11.778 1.00 0.00 O ATOM 1384 CB THR A 92 7.640 8.690 -13.645 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.862 9.524 -12.790 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.818 9.522 -14.916 1.00 0.00 C ATOM 0 H THR A 92 4.898 8.385 -13.602 1.00 0.00 H new ATOM 0 HA THR A 92 7.238 6.832 -14.621 1.00 0.00 H new ATOM 0 HB THR A 92 8.617 8.374 -13.278 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.360 10.345 -12.592 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.451 10.383 -14.702 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.285 8.911 -15.688 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.844 9.866 -15.265 1.00 0.00 H new ATOM 1394 N LEU A 93 5.490 5.887 -12.555 1.00 0.00 N ATOM 1395 CA LEU A 93 5.220 5.009 -11.429 1.00 0.00 C ATOM 1396 C LEU A 93 6.361 4.000 -11.290 1.00 0.00 C ATOM 1397 O LEU A 93 6.691 3.579 -10.182 1.00 0.00 O ATOM 1398 CB LEU A 93 3.841 4.362 -11.573 1.00 0.00 C ATOM 1399 CG LEU A 93 3.479 3.312 -10.521 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.162 3.970 -9.177 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.335 2.420 -11.007 1.00 0.00 C ATOM 0 H LEU A 93 4.753 5.916 -13.260 1.00 0.00 H new ATOM 0 HA LEU A 93 5.184 5.580 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.088 5.149 -11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.781 3.897 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 93 4.345 2.669 -10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.908 3.202 -8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.033 4.527 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.319 4.651 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.098 1.683 -10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.456 3.032 -11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.636 1.909 -11.921 1.00 0.00 H new ATOM 1413 N GLN A 94 6.933 3.640 -12.430 1.00 0.00 N ATOM 1414 CA GLN A 94 8.030 2.688 -12.449 1.00 0.00 C ATOM 1415 C GLN A 94 9.275 3.300 -11.802 1.00 0.00 C ATOM 1416 O GLN A 94 10.018 2.611 -11.104 1.00 0.00 O ATOM 1417 CB GLN A 94 8.327 2.222 -13.876 1.00 0.00 C ATOM 1418 CG GLN A 94 7.317 1.166 -14.329 1.00 0.00 C ATOM 1419 CD GLN A 94 6.911 1.386 -15.788 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.383 2.287 -16.461 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.011 0.515 -16.236 1.00 0.00 N ATOM 0 H GLN A 94 6.657 3.991 -13.347 1.00 0.00 H new ATOM 0 HA GLN A 94 7.736 1.813 -11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.296 3.074 -14.555 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.335 1.811 -13.926 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.749 0.172 -14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.433 1.206 -13.692 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.657 -0.216 -15.619 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.675 0.578 -17.197 1.00 0.00 H new ATOM 1430 N GLU A 95 9.463 4.586 -12.056 1.00 0.00 N ATOM 1431 CA GLU A 95 10.605 5.298 -11.507 1.00 0.00 C ATOM 1432 C GLU A 95 10.458 5.448 -9.992 1.00 0.00 C ATOM 1433 O GLU A 95 11.383 5.138 -9.242 1.00 0.00 O ATOM 1434 CB GLU A 95 10.775 6.662 -12.179 1.00 0.00 C ATOM 1435 CG GLU A 95 11.895 7.465 -11.513 1.00 0.00 C ATOM 1436 CD GLU A 95 11.335 8.695 -10.796 1.00 0.00 C ATOM 1437 OE1 GLU A 95 10.461 9.355 -11.399 1.00 0.00 O ATOM 1438 OE2 GLU A 95 11.794 8.948 -9.661 1.00 0.00 O ATOM 0 H GLU A 95 8.844 5.154 -12.635 1.00 0.00 H new ATOM 0 HA GLU A 95 11.504 4.715 -11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 11.000 6.525 -13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.840 7.219 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.425 6.834 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.621 7.776 -12.264 1.00 0.00 H new ATOM 1445 N PHE A 96 9.290 5.922 -9.586 1.00 0.00 N ATOM 1446 CA PHE A 96 9.010 6.117 -8.174 1.00 0.00 C ATOM 1447 C PHE A 96 9.348 4.860 -7.370 1.00 0.00 C ATOM 1448 O PHE A 96 10.155 4.909 -6.443 1.00 0.00 O ATOM 1449 CB PHE A 96 7.512 6.400 -8.049 1.00 0.00 C ATOM 1450 CG PHE A 96 6.995 6.393 -6.609 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.476 7.294 -5.710 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.056 5.487 -6.228 1.00 0.00 C ATOM 1453 CE1 PHE A 96 6.996 7.287 -4.373 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.576 5.481 -4.892 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.056 6.381 -3.992 1.00 0.00 C ATOM 0 H PHE A 96 8.525 6.177 -10.211 1.00 0.00 H new ATOM 0 HA PHE A 96 9.613 6.938 -7.785 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.298 7.371 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.963 5.655 -8.625 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.222 8.014 -6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.675 4.772 -6.942 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.378 8.002 -3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.829 4.761 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.691 6.376 -2.976 1.00 0.00 H new ATOM 1465 N LEU A 97 8.714 3.762 -7.755 1.00 0.00 N ATOM 1466 CA LEU A 97 8.937 2.494 -7.081 1.00 0.00 C ATOM 1467 C LEU A 97 10.400 2.080 -7.254 1.00 0.00 C ATOM 1468 O LEU A 97 11.266 2.925 -7.476 1.00 0.00 O ATOM 1469 CB LEU A 97 7.939 1.443 -7.573 1.00 0.00 C ATOM 1470 CG LEU A 97 6.469 1.868 -7.584 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.617 0.872 -8.373 1.00 0.00 C ATOM 1472 CD2 LEU A 97 5.946 2.068 -6.161 1.00 0.00 C ATOM 0 H LEU A 97 8.046 3.724 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 97 8.758 2.595 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.220 1.150 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.036 0.557 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 97 6.395 2.829 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.577 1.197 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.974 0.822 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.692 -0.114 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.899 2.370 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.036 1.134 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.530 2.843 -5.664 1.00 0.00 H new ATOM 1484 N LYS A 98 10.631 0.780 -7.144 1.00 0.00 N ATOM 1485 CA LYS A 98 11.974 0.245 -7.285 1.00 0.00 C ATOM 1486 C LYS A 98 11.995 -0.775 -8.425 1.00 0.00 C ATOM 1487 O LYS A 98 12.450 -1.904 -8.245 1.00 0.00 O ATOM 1488 CB LYS A 98 12.471 -0.315 -5.950 1.00 0.00 C ATOM 1489 CG LYS A 98 13.572 0.568 -5.360 1.00 0.00 C ATOM 1490 CD LYS A 98 12.986 1.853 -4.770 1.00 0.00 C ATOM 1491 CE LYS A 98 14.055 2.647 -4.016 1.00 0.00 C ATOM 1492 NZ LYS A 98 14.115 4.039 -4.514 1.00 0.00 N ATOM 0 H LYS A 98 9.911 0.082 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 98 12.673 1.037 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.640 -0.383 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.850 -1.327 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.108 0.019 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.298 0.817 -6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.568 2.466 -5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.167 1.607 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.832 2.646 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.026 2.168 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.845 4.563 -3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.349 4.035 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.192 4.498 -4.374 1.00 0.00 H new ATOM 1506 N LEU A 99 11.497 -0.341 -9.574 1.00 0.00 N ATOM 1507 CA LEU A 99 11.453 -1.202 -10.743 1.00 0.00 C ATOM 1508 C LEU A 99 12.605 -0.840 -11.682 1.00 0.00 C ATOM 1509 O LEU A 99 13.354 -1.713 -12.118 1.00 0.00 O ATOM 1510 CB LEU A 99 10.075 -1.136 -11.406 1.00 0.00 C ATOM 1511 CG LEU A 99 8.976 -1.978 -10.755 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.373 -1.256 -9.549 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.910 -2.374 -11.779 1.00 0.00 C ATOM 0 H LEU A 99 11.121 0.596 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 99 11.593 -2.244 -10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.749 -0.096 -11.418 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.178 -1.450 -12.445 1.00 0.00 H new ATOM 0 HG LEU A 99 9.426 -2.900 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.595 -1.877 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.152 -1.068 -8.810 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.942 -0.308 -9.871 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.141 -2.972 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.459 -1.476 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.370 -2.957 -12.577 1.00 0.00 H new ATOM 1525 N ALA A 100 12.711 0.450 -11.967 1.00 0.00 N ATOM 1526 CA ALA A 100 13.759 0.939 -12.846 1.00 0.00 C ATOM 1527 C ALA A 100 14.454 2.133 -12.189 1.00 0.00 C ATOM 1528 O ALA A 100 15.636 2.377 -12.428 1.00 0.00 O ATOM 1529 CB ALA A 100 13.160 1.290 -14.209 1.00 0.00 C ATOM 0 H ALA A 100 12.088 1.171 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 100 14.513 0.169 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.946 1.657 -14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.705 0.401 -14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.401 2.062 -14.085 1.00 0.00 H new