USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 41 THR OG1 : rot 180:sc= 0.986 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.17 K(o=1.2,f=0.54) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -7.94! C(o=-8.2!,f=-11!) USER MOD Set 2.2: A 69 SER OG : rot 180:sc= -0.225 USER MOD Single : A 10 TYR OH : rot 134:sc= 0.904 USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0805 (180deg=-0.668) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -102:sc= -1.51! USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=-0.008) USER MOD Single : A 55 THR OG1 : rot 38:sc= -2.08! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.119 F(o=-0.99,f=-0.12) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= -0.0114 (180deg=-0.329) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -7.17! C(o=-11!,f=-7.2!) USER MOD Single : A 92 ASN : amide:sc= -0.639 K(o=-0.64,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.604 5.085 10.030 1.00 0.00 N ATOM 157 CA TYR A 10 -5.249 5.221 8.628 1.00 0.00 C ATOM 158 C TYR A 10 -6.495 5.430 7.765 1.00 0.00 C ATOM 159 O TYR A 10 -7.419 4.619 7.797 1.00 0.00 O ATOM 160 CB TYR A 10 -4.583 3.903 8.231 1.00 0.00 C ATOM 161 CG TYR A 10 -5.569 2.800 7.845 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.388 2.240 8.805 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.639 2.362 6.538 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.316 1.200 8.441 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.566 1.323 6.174 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.359 0.793 7.143 1.00 0.00 C ATOM 167 OH TYR A 10 -8.236 -0.188 6.801 1.00 0.00 O ATOM 0 HA TYR A 10 -4.595 6.080 8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.911 4.085 7.392 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.969 3.553 9.061 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.333 2.581 9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.997 2.799 5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.963 0.753 9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.630 0.972 5.155 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.712 0.069 5.984 1.00 0.00 H new ATOM 177 N LYS A 11 -6.481 6.521 7.013 1.00 0.00 N ATOM 178 CA LYS A 11 -7.598 6.845 6.143 1.00 0.00 C ATOM 179 C LYS A 11 -7.125 6.840 4.688 1.00 0.00 C ATOM 180 O LYS A 11 -5.951 6.595 4.416 1.00 0.00 O ATOM 181 CB LYS A 11 -8.248 8.162 6.573 1.00 0.00 C ATOM 182 CG LYS A 11 -9.539 7.907 7.355 1.00 0.00 C ATOM 183 CD LYS A 11 -10.635 7.359 6.440 1.00 0.00 C ATOM 184 CE LYS A 11 -11.220 8.468 5.562 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.877 9.498 6.397 1.00 0.00 N ATOM 0 H LYS A 11 -5.713 7.192 6.989 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.378 6.088 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.552 8.731 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.465 8.769 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.346 7.199 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.877 8.834 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.227 6.569 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.426 6.911 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.429 8.924 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.941 8.044 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.592 9.999 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.336 9.043 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.165 10.177 6.735 1.00 0.00 H new ATOM 199 N CYS A 12 -8.063 7.112 3.793 1.00 0.00 N ATOM 200 CA CYS A 12 -7.756 7.143 2.373 1.00 0.00 C ATOM 201 C CYS A 12 -6.557 8.069 2.161 1.00 0.00 C ATOM 202 O CYS A 12 -6.370 9.029 2.906 1.00 0.00 O ATOM 203 CB CYS A 12 -8.966 7.575 1.542 1.00 0.00 C ATOM 204 SG CYS A 12 -8.865 6.846 -0.134 1.00 0.00 S ATOM 0 H CYS A 12 -9.036 7.313 4.024 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.503 6.139 2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.886 7.257 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.001 8.662 1.473 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.898 7.217 -0.831 1.00 0.00 H new ATOM 210 N GLY A 13 -5.776 7.748 1.139 1.00 0.00 N ATOM 211 CA GLY A 13 -4.600 8.540 0.818 1.00 0.00 C ATOM 212 C GLY A 13 -3.408 8.126 1.685 1.00 0.00 C ATOM 213 O GLY A 13 -2.332 8.715 1.586 1.00 0.00 O ATOM 0 H GLY A 13 -5.935 6.951 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.349 8.415 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.816 9.597 0.971 1.00 0.00 H new ATOM 217 N ASP A 14 -3.641 7.117 2.511 1.00 0.00 N ATOM 218 CA ASP A 14 -2.599 6.619 3.393 1.00 0.00 C ATOM 219 C ASP A 14 -1.863 5.466 2.706 1.00 0.00 C ATOM 220 O ASP A 14 -2.490 4.596 2.103 1.00 0.00 O ATOM 221 CB ASP A 14 -3.191 6.087 4.701 1.00 0.00 C ATOM 222 CG ASP A 14 -2.167 5.750 5.785 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.592 4.643 5.697 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.981 6.605 6.676 1.00 0.00 O ATOM 0 H ASP A 14 -4.535 6.631 2.588 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.921 7.444 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.885 6.829 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.773 5.192 4.481 1.00 0.00 H new ATOM 229 N LEU A 15 -0.544 5.497 2.819 1.00 0.00 N ATOM 230 CA LEU A 15 0.284 4.465 2.217 1.00 0.00 C ATOM 231 C LEU A 15 0.689 3.452 3.288 1.00 0.00 C ATOM 232 O LEU A 15 1.044 3.830 4.402 1.00 0.00 O ATOM 233 CB LEU A 15 1.471 5.092 1.483 1.00 0.00 C ATOM 234 CG LEU A 15 2.568 4.125 1.033 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.533 3.819 2.179 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.966 2.853 0.436 1.00 0.00 C ATOM 0 H LEU A 15 -0.027 6.221 3.319 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.278 3.919 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.094 5.616 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.920 5.842 2.134 1.00 0.00 H new ATOM 0 HG LEU A 15 3.147 4.608 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.303 3.130 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.000 4.744 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.985 3.365 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.767 2.183 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.348 2.357 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.352 3.111 -0.427 1.00 0.00 H new ATOM 248 N VAL A 16 0.620 2.183 2.912 1.00 0.00 N ATOM 249 CA VAL A 16 0.976 1.112 3.828 1.00 0.00 C ATOM 250 C VAL A 16 1.429 -0.109 3.024 1.00 0.00 C ATOM 251 O VAL A 16 1.403 -0.093 1.795 1.00 0.00 O ATOM 252 CB VAL A 16 -0.198 0.810 4.761 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.084 1.608 6.061 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.534 1.082 4.067 1.00 0.00 C ATOM 0 H VAL A 16 0.323 1.873 1.987 1.00 0.00 H new ATOM 0 HA VAL A 16 1.810 1.413 4.463 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.161 -0.250 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.931 1.375 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.843 1.344 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.083 2.674 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.352 0.859 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.584 2.130 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.620 0.451 3.182 1.00 0.00 H new ATOM 264 N PHE A 17 1.833 -1.140 3.753 1.00 0.00 N ATOM 265 CA PHE A 17 2.292 -2.367 3.124 1.00 0.00 C ATOM 266 C PHE A 17 1.145 -3.369 2.976 1.00 0.00 C ATOM 267 O PHE A 17 0.589 -3.833 3.969 1.00 0.00 O ATOM 268 CB PHE A 17 3.362 -2.966 4.039 1.00 0.00 C ATOM 269 CG PHE A 17 4.791 -2.567 3.670 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.413 -3.158 2.614 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.442 -1.619 4.396 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.740 -2.787 2.272 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.770 -1.248 4.054 1.00 0.00 C ATOM 274 CZ PHE A 17 7.390 -1.840 2.998 1.00 0.00 C ATOM 0 H PHE A 17 1.852 -1.150 4.773 1.00 0.00 H new ATOM 0 HA PHE A 17 2.682 -2.152 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.163 -2.656 5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.281 -4.053 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.897 -3.910 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.949 -1.148 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.233 -3.258 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.287 -0.496 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.399 -1.557 2.737 1.00 0.00 H new ATOM 284 N ALA A 18 0.824 -3.672 1.726 1.00 0.00 N ATOM 285 CA ALA A 18 -0.246 -4.609 1.434 1.00 0.00 C ATOM 286 C ALA A 18 0.357 -5.960 1.043 1.00 0.00 C ATOM 287 O ALA A 18 1.178 -6.037 0.131 1.00 0.00 O ATOM 288 CB ALA A 18 -1.145 -4.034 0.339 1.00 0.00 C ATOM 0 H ALA A 18 1.287 -3.284 0.904 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.867 -4.767 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.948 -4.738 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.572 -3.090 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.557 -3.863 -0.563 1.00 0.00 H new ATOM 294 N LYS A 19 -0.073 -6.992 1.753 1.00 0.00 N ATOM 295 CA LYS A 19 0.414 -8.336 1.493 1.00 0.00 C ATOM 296 C LYS A 19 -0.700 -9.162 0.845 1.00 0.00 C ATOM 297 O LYS A 19 -1.869 -9.016 1.197 1.00 0.00 O ATOM 298 CB LYS A 19 0.980 -8.958 2.770 1.00 0.00 C ATOM 299 CG LYS A 19 2.130 -9.916 2.451 1.00 0.00 C ATOM 300 CD LYS A 19 3.126 -9.981 3.611 1.00 0.00 C ATOM 301 CE LYS A 19 3.979 -11.248 3.531 1.00 0.00 C ATOM 302 NZ LYS A 19 3.786 -12.080 4.740 1.00 0.00 N ATOM 0 H LYS A 19 -0.754 -6.925 2.509 1.00 0.00 H new ATOM 0 HA LYS A 19 1.243 -8.310 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.332 -8.171 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.191 -9.494 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.734 -10.912 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.641 -9.588 1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.771 -9.102 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.588 -9.960 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.710 -11.819 2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.031 -10.980 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.372 -12.936 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.065 -11.538 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.785 -12.351 4.819 1.00 0.00 H new ATOM 316 N MET A 20 -0.298 -10.011 -0.089 1.00 0.00 N ATOM 317 CA MET A 20 -1.247 -10.859 -0.788 1.00 0.00 C ATOM 318 C MET A 20 -0.786 -12.318 -0.785 1.00 0.00 C ATOM 319 O MET A 20 0.410 -12.595 -0.689 1.00 0.00 O ATOM 320 CB MET A 20 -1.399 -10.375 -2.232 1.00 0.00 C ATOM 321 CG MET A 20 -2.596 -11.043 -2.912 1.00 0.00 C ATOM 322 SD MET A 20 -3.544 -9.828 -3.810 1.00 0.00 S ATOM 323 CE MET A 20 -2.492 -9.602 -5.233 1.00 0.00 C ATOM 0 H MET A 20 0.673 -10.130 -0.378 1.00 0.00 H new ATOM 0 HA MET A 20 -2.206 -10.799 -0.273 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.527 -9.293 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.489 -10.595 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.250 -11.822 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.225 -11.528 -2.165 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.939 -8.868 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.513 -9.248 -4.909 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.380 -10.551 -5.757 1.00 0.00 H new ATOM 333 N LYS A 21 -1.756 -13.213 -0.891 1.00 0.00 N ATOM 334 CA LYS A 21 -1.465 -14.636 -0.900 1.00 0.00 C ATOM 335 C LYS A 21 -0.486 -14.944 -2.036 1.00 0.00 C ATOM 336 O LYS A 21 -0.749 -14.617 -3.192 1.00 0.00 O ATOM 337 CB LYS A 21 -2.760 -15.448 -0.968 1.00 0.00 C ATOM 338 CG LYS A 21 -2.463 -16.945 -1.067 1.00 0.00 C ATOM 339 CD LYS A 21 -3.556 -17.767 -0.378 1.00 0.00 C ATOM 340 CE LYS A 21 -3.829 -19.065 -1.142 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.390 -20.235 -0.349 1.00 0.00 N ATOM 0 H LYS A 21 -2.746 -12.980 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.980 -14.931 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.364 -15.251 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.347 -15.132 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.390 -17.236 -2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.498 -17.159 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.253 -17.999 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.472 -17.179 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.893 -19.147 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.305 -19.049 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.582 -21.107 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.370 -20.163 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.909 -20.258 0.552 1.00 0.00 H new ATOM 355 N GLY A 22 0.623 -15.568 -1.666 1.00 0.00 N ATOM 356 CA GLY A 22 1.642 -15.923 -2.638 1.00 0.00 C ATOM 357 C GLY A 22 2.632 -14.773 -2.839 1.00 0.00 C ATOM 358 O GLY A 22 3.739 -14.982 -3.334 1.00 0.00 O ATOM 0 H GLY A 22 0.838 -15.837 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.175 -16.812 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.171 -16.173 -3.589 1.00 0.00 H new ATOM 362 N TYR A 23 2.199 -13.585 -2.444 1.00 0.00 N ATOM 363 CA TYR A 23 3.032 -12.402 -2.575 1.00 0.00 C ATOM 364 C TYR A 23 3.376 -11.820 -1.203 1.00 0.00 C ATOM 365 O TYR A 23 2.504 -11.689 -0.345 1.00 0.00 O ATOM 366 CB TYR A 23 2.201 -11.383 -3.356 1.00 0.00 C ATOM 367 CG TYR A 23 3.031 -10.442 -4.231 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.934 -10.960 -5.137 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.878 -9.076 -4.114 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.715 -10.075 -5.962 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.658 -8.190 -4.938 1.00 0.00 C ATOM 372 CZ TYR A 23 4.539 -8.733 -5.821 1.00 0.00 C ATOM 373 OH TYR A 23 5.277 -7.897 -6.599 1.00 0.00 O ATOM 0 H TYR A 23 1.281 -13.416 -2.033 1.00 0.00 H new ATOM 0 HA TYR A 23 3.969 -12.646 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.490 -11.917 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.619 -10.789 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.055 -12.029 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.172 -8.671 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.424 -10.467 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.546 -7.119 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 23 6.019 -7.532 -6.074 1.00 0.00 H new ATOM 383 N PRO A 24 4.681 -11.476 -1.034 1.00 0.00 N ATOM 384 CA PRO A 24 5.149 -10.909 0.220 1.00 0.00 C ATOM 385 C PRO A 24 4.711 -9.450 0.360 1.00 0.00 C ATOM 386 O PRO A 24 4.214 -8.854 -0.594 1.00 0.00 O ATOM 387 CB PRO A 24 6.660 -11.076 0.186 1.00 0.00 C ATOM 388 CG PRO A 24 7.023 -11.303 -1.273 1.00 0.00 C ATOM 389 CD PRO A 24 5.741 -11.619 -2.027 1.00 0.00 C ATOM 0 HA PRO A 24 4.726 -11.408 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.159 -10.191 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.974 -11.919 0.802 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.503 -10.417 -1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.734 -12.124 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.595 -10.935 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.763 -12.627 -2.440 1.00 0.00 H new ATOM 397 N HIS A 25 4.913 -8.918 1.556 1.00 0.00 N ATOM 398 CA HIS A 25 4.545 -7.540 1.834 1.00 0.00 C ATOM 399 C HIS A 25 5.021 -6.642 0.690 1.00 0.00 C ATOM 400 O HIS A 25 6.214 -6.586 0.395 1.00 0.00 O ATOM 401 CB HIS A 25 5.080 -7.098 3.198 1.00 0.00 C ATOM 402 CG HIS A 25 4.003 -6.745 4.194 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.741 -6.321 3.816 1.00 0.00 N ATOM 404 CD2 HIS A 25 4.013 -6.755 5.558 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.032 -6.090 4.910 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.822 -6.359 5.989 1.00 0.00 N ATOM 0 H HIS A 25 5.327 -9.416 2.344 1.00 0.00 H new ATOM 0 HA HIS A 25 3.460 -7.454 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.696 -7.897 3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.730 -6.234 3.059 1.00 0.00 H new ATOM 0 HD1 HIS A 25 2.413 -6.206 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.848 -7.037 6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.008 -5.749 4.942 1.00 0.00 H new ATOM 414 N TRP A 26 4.064 -5.961 0.077 1.00 0.00 N ATOM 415 CA TRP A 26 4.371 -5.068 -1.028 1.00 0.00 C ATOM 416 C TRP A 26 3.825 -3.682 -0.680 1.00 0.00 C ATOM 417 O TRP A 26 2.781 -3.564 -0.040 1.00 0.00 O ATOM 418 CB TRP A 26 3.817 -5.616 -2.345 1.00 0.00 C ATOM 419 CG TRP A 26 4.834 -5.631 -3.488 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.088 -4.662 -4.379 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.727 -6.711 -3.830 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.076 -5.037 -5.266 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.478 -6.323 -4.922 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.897 -7.974 -3.236 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.447 -7.139 -5.514 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.871 -8.778 -3.840 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.635 -8.403 -4.939 1.00 0.00 C ATOM 0 H TRP A 26 3.076 -6.009 0.324 1.00 0.00 H new ATOM 0 HA TRP A 26 5.448 -4.991 -1.175 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.455 -6.631 -2.181 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.958 -5.015 -2.644 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.583 -3.708 -4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.444 -4.474 -6.033 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.322 -8.298 -2.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.020 -6.812 -6.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.041 -9.759 -3.422 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.369 -9.082 -5.347 1.00 0.00 H new ATOM 438 N PRO A 27 4.575 -2.639 -1.128 1.00 0.00 N ATOM 439 CA PRO A 27 4.177 -1.265 -0.873 1.00 0.00 C ATOM 440 C PRO A 27 3.009 -0.856 -1.770 1.00 0.00 C ATOM 441 O PRO A 27 3.188 -0.640 -2.968 1.00 0.00 O ATOM 442 CB PRO A 27 5.431 -0.441 -1.116 1.00 0.00 C ATOM 443 CG PRO A 27 6.353 -1.321 -1.945 1.00 0.00 C ATOM 444 CD PRO A 27 5.817 -2.742 -1.890 1.00 0.00 C ATOM 0 HA PRO A 27 3.809 -1.115 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.195 0.483 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.902 -0.160 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.393 -0.968 -2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.370 -1.282 -1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.637 -3.137 -2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.525 -3.414 -1.405 1.00 0.00 H new ATOM 452 N ALA A 28 1.838 -0.763 -1.158 1.00 0.00 N ATOM 453 CA ALA A 28 0.639 -0.384 -1.888 1.00 0.00 C ATOM 454 C ALA A 28 -0.052 0.772 -1.159 1.00 0.00 C ATOM 455 O ALA A 28 0.157 0.969 0.038 1.00 0.00 O ATOM 456 CB ALA A 28 -0.271 -1.602 -2.043 1.00 0.00 C ATOM 0 H ALA A 28 1.693 -0.943 -0.165 1.00 0.00 H new ATOM 0 HA ALA A 28 0.893 -0.038 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.170 -1.317 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.256 -2.383 -2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.549 -1.976 -1.058 1.00 0.00 H new ATOM 462 N ARG A 29 -0.860 1.504 -1.911 1.00 0.00 N ATOM 463 CA ARG A 29 -1.583 2.634 -1.352 1.00 0.00 C ATOM 464 C ARG A 29 -3.023 2.233 -1.025 1.00 0.00 C ATOM 465 O ARG A 29 -3.587 1.352 -1.670 1.00 0.00 O ATOM 466 CB ARG A 29 -1.598 3.814 -2.325 1.00 0.00 C ATOM 467 CG ARG A 29 -2.116 3.385 -3.700 1.00 0.00 C ATOM 468 CD ARG A 29 -2.544 4.599 -4.528 1.00 0.00 C ATOM 469 NE ARG A 29 -2.081 4.447 -5.926 1.00 0.00 N ATOM 470 CZ ARG A 29 -2.159 5.411 -6.852 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.680 6.605 -6.534 1.00 0.00 N ATOM 472 NH2 ARG A 29 -1.714 5.183 -8.096 1.00 0.00 N ATOM 0 H ARG A 29 -1.030 1.337 -2.903 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.070 2.937 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.228 4.610 -1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.592 4.222 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.339 2.835 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.961 2.707 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.629 4.701 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.129 5.509 -4.096 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.677 3.552 -6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.017 6.779 -5.587 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.740 7.340 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.316 4.275 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.773 5.917 -8.801 1.00 0.00 H new ATOM 486 N ILE A 30 -3.576 2.900 -0.022 1.00 0.00 N ATOM 487 CA ILE A 30 -4.938 2.623 0.399 1.00 0.00 C ATOM 488 C ILE A 30 -5.912 3.302 -0.567 1.00 0.00 C ATOM 489 O ILE A 30 -5.635 4.387 -1.075 1.00 0.00 O ATOM 490 CB ILE A 30 -5.139 3.028 1.860 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.813 1.905 2.652 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.912 4.344 1.965 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.306 1.825 2.328 1.00 0.00 C ATOM 0 H ILE A 30 -3.105 3.631 0.511 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.140 1.553 0.358 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.158 3.195 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.335 0.953 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.678 2.076 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.040 4.608 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.357 5.133 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.890 4.230 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.761 1.019 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.785 2.770 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.437 1.629 1.264 1.00 0.00 H new ATOM 505 N ASP A 31 -7.035 2.633 -0.790 1.00 0.00 N ATOM 506 CA ASP A 31 -8.052 3.159 -1.686 1.00 0.00 C ATOM 507 C ASP A 31 -9.425 2.656 -1.241 1.00 0.00 C ATOM 508 O ASP A 31 -9.548 1.546 -0.724 1.00 0.00 O ATOM 509 CB ASP A 31 -7.818 2.686 -3.122 1.00 0.00 C ATOM 510 CG ASP A 31 -6.926 3.597 -3.967 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.694 3.391 -3.915 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.495 4.479 -4.645 1.00 0.00 O ATOM 0 H ASP A 31 -7.262 1.733 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.002 4.247 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.372 1.692 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.784 2.587 -3.618 1.00 0.00 H new ATOM 517 N GLU A 32 -10.427 3.497 -1.455 1.00 0.00 N ATOM 518 CA GLU A 32 -11.788 3.152 -1.081 1.00 0.00 C ATOM 519 C GLU A 32 -12.612 2.820 -2.326 1.00 0.00 C ATOM 520 O GLU A 32 -12.220 3.154 -3.443 1.00 0.00 O ATOM 521 CB GLU A 32 -12.439 4.281 -0.279 1.00 0.00 C ATOM 522 CG GLU A 32 -13.262 3.723 0.884 1.00 0.00 C ATOM 523 CD GLU A 32 -13.837 4.854 1.740 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.025 5.529 2.407 1.00 0.00 O ATOM 525 OE2 GLU A 32 -15.076 5.015 1.709 1.00 0.00 O ATOM 0 H GLU A 32 -10.323 4.417 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.756 2.269 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.669 4.951 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.080 4.873 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.073 3.106 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.636 3.077 1.500 1.00 0.00 H new ATOM 532 N MET A 33 -13.740 2.164 -2.093 1.00 0.00 N ATOM 533 CA MET A 33 -14.622 1.782 -3.182 1.00 0.00 C ATOM 534 C MET A 33 -15.389 2.992 -3.716 1.00 0.00 C ATOM 535 O MET A 33 -15.914 3.790 -2.942 1.00 0.00 O ATOM 536 CB MET A 33 -15.614 0.726 -2.688 1.00 0.00 C ATOM 537 CG MET A 33 -16.292 1.174 -1.391 1.00 0.00 C ATOM 538 SD MET A 33 -17.984 0.605 -1.359 1.00 0.00 S ATOM 539 CE MET A 33 -18.702 1.828 -0.275 1.00 0.00 C ATOM 0 H MET A 33 -14.063 1.888 -1.166 1.00 0.00 H new ATOM 0 HA MET A 33 -14.015 1.374 -3.991 1.00 0.00 H new ATOM 0 HB2 MET A 33 -16.369 0.545 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 33 -15.094 -0.218 -2.523 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.750 0.778 -0.532 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.263 2.261 -1.313 1.00 0.00 H new ATOM 0 HE1 MET A 33 -19.764 1.621 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 33 -18.204 1.792 0.694 1.00 0.00 H new ATOM 0 HE3 MET A 33 -18.576 2.819 -0.711 1.00 0.00 H new ATOM 549 N PRO A 34 -15.431 3.092 -5.071 1.00 0.00 N ATOM 550 CA PRO A 34 -16.125 4.193 -5.720 1.00 0.00 C ATOM 551 C PRO A 34 -17.641 3.999 -5.653 1.00 0.00 C ATOM 552 O PRO A 34 -18.120 2.899 -5.378 1.00 0.00 O ATOM 553 CB PRO A 34 -15.592 4.212 -7.142 1.00 0.00 C ATOM 554 CG PRO A 34 -14.970 2.843 -7.372 1.00 0.00 C ATOM 555 CD PRO A 34 -14.821 2.166 -6.021 1.00 0.00 C ATOM 0 HA PRO A 34 -15.946 5.150 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.393 4.402 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.854 5.003 -7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.598 2.244 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.000 2.942 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -15.321 1.198 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.773 1.987 -5.782 1.00 0.00 H new ATOM 563 N GLU A 35 -18.357 5.085 -5.908 1.00 0.00 N ATOM 564 CA GLU A 35 -19.808 5.049 -5.882 1.00 0.00 C ATOM 565 C GLU A 35 -20.383 5.965 -6.964 1.00 0.00 C ATOM 566 O GLU A 35 -21.460 6.535 -6.793 1.00 0.00 O ATOM 567 CB GLU A 35 -20.340 5.433 -4.499 1.00 0.00 C ATOM 568 CG GLU A 35 -19.990 6.883 -4.160 1.00 0.00 C ATOM 569 CD GLU A 35 -20.119 7.141 -2.657 1.00 0.00 C ATOM 570 OE1 GLU A 35 -19.559 6.328 -1.891 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.777 8.146 -2.310 1.00 0.00 O ATOM 0 H GLU A 35 -17.958 5.996 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.130 4.029 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.422 5.300 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.918 4.768 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.972 7.101 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.649 7.557 -4.706 1.00 0.00 H new ATOM 578 N ALA A 36 -19.639 6.079 -8.055 1.00 0.00 N ATOM 579 CA ALA A 36 -20.061 6.916 -9.165 1.00 0.00 C ATOM 580 C ALA A 36 -20.531 6.027 -10.318 1.00 0.00 C ATOM 581 O ALA A 36 -21.697 6.073 -10.706 1.00 0.00 O ATOM 582 CB ALA A 36 -18.914 7.841 -9.571 1.00 0.00 C ATOM 0 H ALA A 36 -18.746 5.605 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.900 7.547 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.230 8.469 -10.404 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.638 8.471 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.054 7.243 -9.874 1.00 0.00 H new ATOM 588 N ALA A 37 -19.598 5.238 -10.833 1.00 0.00 N ATOM 589 CA ALA A 37 -19.902 4.340 -11.934 1.00 0.00 C ATOM 590 C ALA A 37 -20.998 3.363 -11.503 1.00 0.00 C ATOM 591 O ALA A 37 -22.041 3.269 -12.147 1.00 0.00 O ATOM 592 CB ALA A 37 -18.624 3.625 -12.377 1.00 0.00 C ATOM 0 H ALA A 37 -18.632 5.203 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 37 -20.278 4.898 -12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.852 2.951 -13.203 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.889 4.361 -12.702 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -18.220 3.052 -11.542 1.00 0.00 H new ATOM 598 N VAL A 38 -20.723 2.659 -10.413 1.00 0.00 N ATOM 599 CA VAL A 38 -21.672 1.693 -9.888 1.00 0.00 C ATOM 600 C VAL A 38 -21.726 1.814 -8.365 1.00 0.00 C ATOM 601 O VAL A 38 -20.990 2.604 -7.775 1.00 0.00 O ATOM 602 CB VAL A 38 -21.302 0.286 -10.363 1.00 0.00 C ATOM 603 CG1 VAL A 38 -21.463 0.159 -11.879 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.883 -0.084 -9.929 1.00 0.00 C ATOM 0 H VAL A 38 -19.857 2.739 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 38 -22.674 1.897 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.989 -0.418 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -21.194 -0.850 -12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.499 0.359 -12.153 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.811 0.878 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -19.646 -1.088 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -19.175 0.626 -10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.816 -0.054 -8.842 1.00 0.00 H new ATOM 614 N LYS A 39 -22.605 1.020 -7.769 1.00 0.00 N ATOM 615 CA LYS A 39 -22.765 1.029 -6.326 1.00 0.00 C ATOM 616 C LYS A 39 -22.133 -0.237 -5.740 1.00 0.00 C ATOM 617 O LYS A 39 -22.746 -1.304 -5.753 1.00 0.00 O ATOM 618 CB LYS A 39 -24.237 1.212 -5.950 1.00 0.00 C ATOM 619 CG LYS A 39 -24.754 2.576 -6.412 1.00 0.00 C ATOM 620 CD LYS A 39 -26.059 2.430 -7.198 1.00 0.00 C ATOM 621 CE LYS A 39 -25.866 2.834 -8.661 1.00 0.00 C ATOM 622 NZ LYS A 39 -26.925 2.238 -9.507 1.00 0.00 N ATOM 0 H LYS A 39 -23.214 0.366 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.241 1.880 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.833 0.420 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.355 1.121 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.916 3.219 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -24.003 3.062 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -26.406 1.398 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.832 3.050 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -25.889 3.920 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -24.887 2.506 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -26.779 2.522 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -26.885 1.201 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -27.856 2.572 -9.184 1.00 0.00 H new ATOM 636 N SER A 40 -20.917 -0.075 -5.239 1.00 0.00 N ATOM 637 CA SER A 40 -20.197 -1.191 -4.649 1.00 0.00 C ATOM 638 C SER A 40 -20.819 -1.561 -3.301 1.00 0.00 C ATOM 639 O SER A 40 -21.825 -0.979 -2.897 1.00 0.00 O ATOM 640 CB SER A 40 -18.713 -0.858 -4.476 1.00 0.00 C ATOM 641 OG SER A 40 -17.889 -1.632 -5.344 1.00 0.00 O ATOM 0 H SER A 40 -20.413 0.811 -5.229 1.00 0.00 H new ATOM 0 HA SER A 40 -20.274 -2.044 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.554 0.202 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.419 -1.037 -3.442 1.00 0.00 H new ATOM 0 HG SER A 40 -16.950 -1.390 -5.205 1.00 0.00 H new ATOM 647 N THR A 41 -20.195 -2.527 -2.643 1.00 0.00 N ATOM 648 CA THR A 41 -20.675 -2.983 -1.350 1.00 0.00 C ATOM 649 C THR A 41 -19.623 -2.720 -0.269 1.00 0.00 C ATOM 650 O THR A 41 -18.443 -2.998 -0.467 1.00 0.00 O ATOM 651 CB THR A 41 -21.058 -4.458 -1.479 1.00 0.00 C ATOM 652 OG1 THR A 41 -19.808 -5.133 -1.589 1.00 0.00 O ATOM 653 CG2 THR A 41 -21.764 -4.765 -2.802 1.00 0.00 C ATOM 0 H THR A 41 -19.361 -3.007 -2.981 1.00 0.00 H new ATOM 0 HA THR A 41 -21.561 -2.430 -1.040 1.00 0.00 H new ATOM 0 HB THR A 41 -21.704 -4.739 -0.648 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.963 -6.097 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.014 -5.825 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 41 -22.677 -4.173 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.104 -4.515 -3.633 1.00 0.00 H new ATOM 661 N ALA A 42 -20.092 -2.187 0.850 1.00 0.00 N ATOM 662 CA ALA A 42 -19.208 -1.883 1.962 1.00 0.00 C ATOM 663 C ALA A 42 -18.936 -3.163 2.756 1.00 0.00 C ATOM 664 O ALA A 42 -19.867 -3.817 3.223 1.00 0.00 O ATOM 665 CB ALA A 42 -19.829 -0.784 2.825 1.00 0.00 C ATOM 0 H ALA A 42 -21.073 -1.958 1.010 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.251 -1.509 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.165 -0.557 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.975 0.113 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.791 -1.123 3.209 1.00 0.00 H new ATOM 671 N ASN A 43 -17.656 -3.482 2.882 1.00 0.00 N ATOM 672 CA ASN A 43 -17.250 -4.672 3.611 1.00 0.00 C ATOM 673 C ASN A 43 -15.751 -4.903 3.407 1.00 0.00 C ATOM 674 O ASN A 43 -15.067 -5.385 4.309 1.00 0.00 O ATOM 675 CB ASN A 43 -17.993 -5.910 3.103 1.00 0.00 C ATOM 676 CG ASN A 43 -17.907 -6.013 1.579 1.00 0.00 C ATOM 677 OD1 ASN A 43 -16.914 -6.442 1.015 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.001 -5.597 0.946 1.00 0.00 N ATOM 0 H ASN A 43 -16.887 -2.937 2.492 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.484 -4.518 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.568 -6.805 3.556 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.038 -5.863 3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.043 -5.626 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.798 -5.249 1.480 1.00 0.00 H new ATOM 685 N LYS A 44 -15.287 -4.550 2.218 1.00 0.00 N ATOM 686 CA LYS A 44 -13.882 -4.713 1.884 1.00 0.00 C ATOM 687 C LYS A 44 -13.273 -3.343 1.581 1.00 0.00 C ATOM 688 O LYS A 44 -13.991 -2.355 1.442 1.00 0.00 O ATOM 689 CB LYS A 44 -13.714 -5.725 0.749 1.00 0.00 C ATOM 690 CG LYS A 44 -14.348 -5.208 -0.544 1.00 0.00 C ATOM 691 CD LYS A 44 -13.285 -4.629 -1.480 1.00 0.00 C ATOM 692 CE LYS A 44 -13.867 -3.505 -2.341 1.00 0.00 C ATOM 693 NZ LYS A 44 -13.799 -3.864 -3.775 1.00 0.00 N ATOM 0 H LYS A 44 -15.859 -4.152 1.473 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.335 -5.126 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.654 -5.921 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.174 -6.672 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.876 -6.020 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.088 -4.443 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.448 -4.248 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.892 -5.417 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.902 -3.319 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.316 -2.581 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.198 -3.091 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.807 -4.020 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.344 -4.734 -3.941 1.00 0.00 H new ATOM 707 N TYR A 45 -11.950 -3.327 1.487 1.00 0.00 N ATOM 708 CA TYR A 45 -11.234 -2.095 1.203 1.00 0.00 C ATOM 709 C TYR A 45 -10.386 -2.233 -0.062 1.00 0.00 C ATOM 710 O TYR A 45 -9.839 -3.301 -0.333 1.00 0.00 O ATOM 711 CB TYR A 45 -10.312 -1.858 2.400 1.00 0.00 C ATOM 712 CG TYR A 45 -10.568 -0.539 3.134 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.852 -0.040 3.226 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.516 0.150 3.701 1.00 0.00 C ATOM 715 CE1 TYR A 45 -12.094 1.200 3.915 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.759 1.391 4.390 1.00 0.00 C ATOM 717 CZ TYR A 45 -11.035 1.855 4.465 1.00 0.00 C ATOM 718 OH TYR A 45 -11.263 3.026 5.116 1.00 0.00 O ATOM 0 H TYR A 45 -11.356 -4.148 1.603 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.932 -1.273 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.429 -2.682 3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.277 -1.876 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.675 -0.580 2.781 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.512 -0.241 3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.093 1.602 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.945 1.942 4.838 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.416 3.381 5.458 1.00 0.00 H new ATOM 728 N GLN A 46 -10.303 -1.138 -0.802 1.00 0.00 N ATOM 729 CA GLN A 46 -9.529 -1.123 -2.033 1.00 0.00 C ATOM 730 C GLN A 46 -8.057 -0.839 -1.731 1.00 0.00 C ATOM 731 O GLN A 46 -7.742 -0.021 -0.867 1.00 0.00 O ATOM 732 CB GLN A 46 -10.093 -0.100 -3.021 1.00 0.00 C ATOM 733 CG GLN A 46 -11.106 -0.752 -3.966 1.00 0.00 C ATOM 734 CD GLN A 46 -10.869 -0.312 -5.413 1.00 0.00 C ATOM 735 OE1 GLN A 46 -10.903 -1.101 -6.342 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.627 0.988 -5.550 1.00 0.00 N ATOM 0 H GLN A 46 -10.759 -0.254 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.601 -2.107 -2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.571 0.713 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.280 0.339 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.029 -1.837 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.118 -0.484 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.613 1.593 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.455 1.380 -6.476 1.00 0.00 H new ATOM 745 N VAL A 47 -7.193 -1.531 -2.458 1.00 0.00 N ATOM 746 CA VAL A 47 -5.761 -1.365 -2.279 1.00 0.00 C ATOM 747 C VAL A 47 -5.081 -1.323 -3.649 1.00 0.00 C ATOM 748 O VAL A 47 -5.347 -2.168 -4.504 1.00 0.00 O ATOM 749 CB VAL A 47 -5.214 -2.470 -1.373 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.840 -2.942 -1.852 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.158 -2.006 0.083 1.00 0.00 C ATOM 0 H VAL A 47 -7.457 -2.209 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.546 -0.420 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.897 -3.318 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.474 -3.727 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.922 -3.331 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.143 -2.104 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.766 -2.810 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.508 -1.135 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.161 -1.742 0.420 1.00 0.00 H new ATOM 761 N PHE A 48 -4.216 -0.333 -3.816 1.00 0.00 N ATOM 762 CA PHE A 48 -3.496 -0.172 -5.067 1.00 0.00 C ATOM 763 C PHE A 48 -2.015 -0.513 -4.896 1.00 0.00 C ATOM 764 O PHE A 48 -1.266 0.245 -4.284 1.00 0.00 O ATOM 765 CB PHE A 48 -3.626 1.297 -5.471 1.00 0.00 C ATOM 766 CG PHE A 48 -4.169 1.510 -6.886 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.861 0.627 -7.873 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.961 2.582 -7.156 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.365 0.823 -9.184 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.465 2.779 -8.468 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.157 1.896 -9.455 1.00 0.00 C ATOM 0 H PHE A 48 -3.998 0.365 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.909 -0.840 -5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.282 1.801 -4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.648 1.772 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.232 -0.224 -7.658 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.206 3.283 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.120 0.121 -9.967 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.093 3.631 -8.683 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.541 2.046 -10.453 1.00 0.00 H new ATOM 781 N PHE A 49 -1.637 -1.656 -5.449 1.00 0.00 N ATOM 782 CA PHE A 49 -0.257 -2.109 -5.366 1.00 0.00 C ATOM 783 C PHE A 49 0.631 -1.338 -6.344 1.00 0.00 C ATOM 784 O PHE A 49 0.414 -1.384 -7.553 1.00 0.00 O ATOM 785 CB PHE A 49 -0.247 -3.591 -5.745 1.00 0.00 C ATOM 786 CG PHE A 49 -0.486 -4.536 -4.567 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.595 -4.391 -3.793 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.409 -5.521 -4.293 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.817 -5.269 -2.698 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.188 -6.399 -3.199 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.921 -6.254 -2.425 1.00 0.00 C ATOM 0 H PHE A 49 -2.262 -2.283 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 49 0.128 -1.946 -4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.013 -3.767 -6.500 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.713 -3.832 -6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.307 -3.609 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.289 -5.636 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.697 -5.154 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.900 -7.181 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.090 -6.922 -1.593 1.00 0.00 H new ATOM 801 N PHE A 50 1.615 -0.649 -5.783 1.00 0.00 N ATOM 802 CA PHE A 50 2.538 0.131 -6.590 1.00 0.00 C ATOM 803 C PHE A 50 3.502 -0.781 -7.352 1.00 0.00 C ATOM 804 O PHE A 50 3.941 -0.446 -8.452 1.00 0.00 O ATOM 805 CB PHE A 50 3.338 1.012 -5.630 1.00 0.00 C ATOM 806 CG PHE A 50 2.555 2.208 -5.084 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.181 3.215 -5.918 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.232 2.264 -3.764 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.456 4.324 -5.412 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.505 3.374 -3.258 1.00 0.00 C ATOM 811 CZ PHE A 50 1.132 4.381 -4.091 1.00 0.00 C ATOM 0 H PHE A 50 1.793 -0.615 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 50 1.986 0.724 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.680 0.403 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.227 1.377 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.436 3.170 -6.966 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.528 1.465 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.161 5.124 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.248 3.418 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.579 5.225 -3.706 1.00 0.00 H new ATOM 821 N GLY A 51 3.807 -1.914 -6.736 1.00 0.00 N ATOM 822 CA GLY A 51 4.711 -2.875 -7.343 1.00 0.00 C ATOM 823 C GLY A 51 4.178 -3.354 -8.694 1.00 0.00 C ATOM 824 O GLY A 51 4.855 -3.229 -9.713 1.00 0.00 O ATOM 0 H GLY A 51 3.444 -2.187 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.693 -2.421 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.841 -3.728 -6.677 1.00 0.00 H new ATOM 828 N THR A 52 2.969 -3.895 -8.659 1.00 0.00 N ATOM 829 CA THR A 52 2.336 -4.394 -9.868 1.00 0.00 C ATOM 830 C THR A 52 1.565 -3.273 -10.567 1.00 0.00 C ATOM 831 O THR A 52 1.319 -3.340 -11.771 1.00 0.00 O ATOM 832 CB THR A 52 1.459 -5.587 -9.484 1.00 0.00 C ATOM 833 OG1 THR A 52 0.295 -4.994 -8.917 1.00 0.00 O ATOM 834 CG2 THR A 52 2.056 -6.408 -8.338 1.00 0.00 C ATOM 0 H THR A 52 2.411 -3.999 -7.812 1.00 0.00 H new ATOM 0 HA THR A 52 3.077 -4.736 -10.591 1.00 0.00 H new ATOM 0 HB THR A 52 1.317 -6.228 -10.354 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.329 -5.697 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.394 -7.242 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.032 -6.791 -8.635 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.167 -5.776 -7.457 1.00 0.00 H new ATOM 842 N HIS A 53 1.203 -2.268 -9.784 1.00 0.00 N ATOM 843 CA HIS A 53 0.464 -1.134 -10.312 1.00 0.00 C ATOM 844 C HIS A 53 -0.972 -1.556 -10.623 1.00 0.00 C ATOM 845 O HIS A 53 -1.538 -1.152 -11.637 1.00 0.00 O ATOM 846 CB HIS A 53 1.181 -0.537 -11.525 1.00 0.00 C ATOM 847 CG HIS A 53 0.759 0.876 -11.855 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.404 1.649 -12.804 1.00 0.00 N ATOM 849 CD2 HIS A 53 -0.248 1.646 -11.351 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.804 2.828 -12.862 1.00 0.00 C ATOM 851 NE2 HIS A 53 -0.219 2.824 -11.960 1.00 0.00 N ATOM 0 H HIS A 53 1.408 -2.215 -8.786 1.00 0.00 H new ATOM 0 HA HIS A 53 0.419 -0.344 -9.562 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.255 -0.551 -11.342 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.997 -1.172 -12.392 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.950 1.347 -10.586 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.077 3.648 -13.509 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.857 3.600 -11.783 1.00 0.00 H new ATOM 859 N GLU A 54 -1.523 -2.366 -9.729 1.00 0.00 N ATOM 860 CA GLU A 54 -2.884 -2.849 -9.895 1.00 0.00 C ATOM 861 C GLU A 54 -3.658 -2.713 -8.581 1.00 0.00 C ATOM 862 O GLU A 54 -3.063 -2.688 -7.506 1.00 0.00 O ATOM 863 CB GLU A 54 -2.895 -4.296 -10.391 1.00 0.00 C ATOM 864 CG GLU A 54 -2.367 -4.388 -11.823 1.00 0.00 C ATOM 865 CD GLU A 54 -3.501 -4.685 -12.807 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.956 -5.849 -12.815 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.887 -3.739 -13.530 1.00 0.00 O ATOM 0 H GLU A 54 -1.052 -2.699 -8.888 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.378 -2.237 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.284 -4.914 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.910 -4.691 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.880 -3.452 -12.096 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.611 -5.171 -11.886 1.00 0.00 H new ATOM 874 N THR A 55 -4.973 -2.628 -8.714 1.00 0.00 N ATOM 875 CA THR A 55 -5.834 -2.495 -7.551 1.00 0.00 C ATOM 876 C THR A 55 -6.400 -3.858 -7.148 1.00 0.00 C ATOM 877 O THR A 55 -7.151 -4.471 -7.907 1.00 0.00 O ATOM 878 CB THR A 55 -6.914 -1.462 -7.878 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.259 -0.209 -7.705 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.039 -1.441 -6.840 1.00 0.00 C ATOM 0 H THR A 55 -5.463 -2.649 -9.608 1.00 0.00 H new ATOM 0 HA THR A 55 -5.276 -2.140 -6.684 1.00 0.00 H new ATOM 0 HB THR A 55 -7.332 -1.674 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.338 -0.273 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.778 -0.691 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.514 -2.421 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.626 -1.196 -5.861 1.00 0.00 H new ATOM 888 N ALA A 56 -6.020 -4.293 -5.956 1.00 0.00 N ATOM 889 CA ALA A 56 -6.479 -5.573 -5.444 1.00 0.00 C ATOM 890 C ALA A 56 -7.382 -5.337 -4.230 1.00 0.00 C ATOM 891 O ALA A 56 -7.211 -4.356 -3.508 1.00 0.00 O ATOM 892 CB ALA A 56 -5.274 -6.453 -5.111 1.00 0.00 C ATOM 0 H ALA A 56 -5.399 -3.781 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.067 -6.098 -6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.619 -7.413 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.681 -6.614 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.661 -5.960 -4.357 1.00 0.00 H new ATOM 898 N PHE A 57 -8.322 -6.252 -4.045 1.00 0.00 N ATOM 899 CA PHE A 57 -9.250 -6.156 -2.931 1.00 0.00 C ATOM 900 C PHE A 57 -8.665 -6.800 -1.672 1.00 0.00 C ATOM 901 O PHE A 57 -8.534 -8.020 -1.600 1.00 0.00 O ATOM 902 CB PHE A 57 -10.515 -6.913 -3.337 1.00 0.00 C ATOM 903 CG PHE A 57 -10.335 -8.431 -3.410 1.00 0.00 C ATOM 904 CD1 PHE A 57 -9.864 -9.006 -4.550 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.644 -9.205 -2.336 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.696 -10.414 -4.618 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.477 -10.614 -2.404 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.006 -11.189 -3.544 1.00 0.00 C ATOM 0 H PHE A 57 -8.461 -7.063 -4.648 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.456 -5.109 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.307 -6.685 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.847 -6.550 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.618 -8.391 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.017 -8.749 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.322 -10.870 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.724 -11.229 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.878 -12.260 -3.596 1.00 0.00 H new ATOM 918 N LEU A 58 -8.330 -5.950 -0.712 1.00 0.00 N ATOM 919 CA LEU A 58 -7.763 -6.422 0.540 1.00 0.00 C ATOM 920 C LEU A 58 -8.452 -5.710 1.707 1.00 0.00 C ATOM 921 O LEU A 58 -9.296 -4.841 1.496 1.00 0.00 O ATOM 922 CB LEU A 58 -6.242 -6.260 0.533 1.00 0.00 C ATOM 923 CG LEU A 58 -5.482 -7.105 -0.493 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.039 -6.616 -0.644 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.549 -8.591 -0.135 1.00 0.00 C ATOM 0 H LEU A 58 -8.440 -4.938 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.947 -7.489 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.009 -5.210 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.866 -6.505 1.526 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.966 -6.985 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.521 -7.233 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.040 -5.578 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.528 -6.688 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.002 -9.170 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.103 -8.749 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.590 -8.914 -0.118 1.00 0.00 H new ATOM 937 N GLY A 59 -8.066 -6.107 2.909 1.00 0.00 N ATOM 938 CA GLY A 59 -8.635 -5.518 4.110 1.00 0.00 C ATOM 939 C GLY A 59 -7.560 -4.818 4.941 1.00 0.00 C ATOM 940 O GLY A 59 -6.476 -4.522 4.439 1.00 0.00 O ATOM 0 H GLY A 59 -7.366 -6.829 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.410 -4.803 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.114 -6.294 4.708 1.00 0.00 H new ATOM 944 N PRO A 60 -7.904 -4.565 6.233 1.00 0.00 N ATOM 945 CA PRO A 60 -6.980 -3.905 7.138 1.00 0.00 C ATOM 946 C PRO A 60 -5.872 -4.861 7.585 1.00 0.00 C ATOM 947 O PRO A 60 -4.738 -4.442 7.809 1.00 0.00 O ATOM 948 CB PRO A 60 -7.841 -3.415 8.291 1.00 0.00 C ATOM 949 CG PRO A 60 -9.131 -4.217 8.219 1.00 0.00 C ATOM 950 CD PRO A 60 -9.178 -4.901 6.862 1.00 0.00 C ATOM 0 HA PRO A 60 -6.454 -3.074 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.339 -3.568 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.040 -2.347 8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.167 -4.955 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.994 -3.564 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.296 -5.980 6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.019 -4.544 6.268 1.00 0.00 H new ATOM 958 N LYS A 61 -6.239 -6.129 7.701 1.00 0.00 N ATOM 959 CA LYS A 61 -5.291 -7.148 8.117 1.00 0.00 C ATOM 960 C LYS A 61 -4.218 -7.310 7.039 1.00 0.00 C ATOM 961 O LYS A 61 -3.045 -7.507 7.349 1.00 0.00 O ATOM 962 CB LYS A 61 -6.020 -8.448 8.461 1.00 0.00 C ATOM 963 CG LYS A 61 -6.971 -8.858 7.337 1.00 0.00 C ATOM 964 CD LYS A 61 -8.410 -8.966 7.847 1.00 0.00 C ATOM 965 CE LYS A 61 -9.080 -10.243 7.336 1.00 0.00 C ATOM 966 NZ LYS A 61 -10.527 -10.227 7.639 1.00 0.00 N ATOM 0 H LYS A 61 -7.181 -6.474 7.514 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.781 -6.845 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.293 -9.242 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.580 -8.321 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.922 -8.127 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.656 -9.815 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.414 -8.960 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.981 -8.096 7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.929 -10.334 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.616 -11.114 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.965 -11.101 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.666 -10.162 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.969 -9.407 7.178 1.00 0.00 H new ATOM 980 N ASP A 62 -4.660 -7.224 5.793 1.00 0.00 N ATOM 981 CA ASP A 62 -3.753 -7.359 4.665 1.00 0.00 C ATOM 982 C ASP A 62 -2.876 -6.109 4.568 1.00 0.00 C ATOM 983 O ASP A 62 -1.911 -6.079 3.807 1.00 0.00 O ATOM 984 CB ASP A 62 -4.523 -7.499 3.352 1.00 0.00 C ATOM 985 CG ASP A 62 -4.862 -8.935 2.950 1.00 0.00 C ATOM 986 OD1 ASP A 62 -3.916 -9.656 2.564 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.061 -9.282 3.037 1.00 0.00 O ATOM 0 H ASP A 62 -5.635 -7.062 5.539 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.148 -8.252 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.450 -6.931 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.936 -7.043 2.554 1.00 0.00 H new ATOM 992 N LEU A 63 -3.244 -5.104 5.352 1.00 0.00 N ATOM 993 CA LEU A 63 -2.504 -3.855 5.364 1.00 0.00 C ATOM 994 C LEU A 63 -1.843 -3.672 6.732 1.00 0.00 C ATOM 995 O LEU A 63 -2.530 -3.556 7.746 1.00 0.00 O ATOM 996 CB LEU A 63 -3.409 -2.691 4.958 1.00 0.00 C ATOM 997 CG LEU A 63 -2.968 -1.895 3.728 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.413 -2.822 2.645 1.00 0.00 C ATOM 999 CD2 LEU A 63 -4.109 -1.021 3.202 1.00 0.00 C ATOM 0 H LEU A 63 -4.045 -5.131 5.983 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.705 -3.879 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.410 -3.082 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.486 -2.005 5.802 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.160 -1.227 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.107 -2.231 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.553 -3.365 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.183 -3.532 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.769 -0.466 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.953 -1.653 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.419 -0.321 3.978 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.518 -3.651 6.716 1.00 0.00 N ATOM 1012 CA PHE A 64 0.241 -3.484 7.943 1.00 0.00 C ATOM 1013 C PHE A 64 1.158 -2.261 7.859 1.00 0.00 C ATOM 1014 O PHE A 64 1.631 -1.909 6.780 1.00 0.00 O ATOM 1015 CB PHE A 64 1.100 -4.738 8.112 1.00 0.00 C ATOM 1016 CG PHE A 64 0.552 -5.737 9.134 1.00 0.00 C ATOM 1017 CD1 PHE A 64 -0.736 -6.163 9.044 1.00 0.00 C ATOM 1018 CD2 PHE A 64 1.354 -6.197 10.132 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -1.245 -7.088 9.993 1.00 0.00 C ATOM 1020 CE2 PHE A 64 0.844 -7.122 11.081 1.00 0.00 C ATOM 1021 CZ PHE A 64 -0.444 -7.548 10.991 1.00 0.00 C ATOM 0 H PHE A 64 0.048 -3.747 5.873 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.438 -3.339 8.783 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.192 -5.236 7.147 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.104 -4.440 8.414 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.372 -5.798 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.377 -5.859 10.202 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.268 -7.426 9.922 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.479 -7.487 11.874 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.831 -8.252 11.713 1.00 0.00 H new ATOM 1031 N PRO A 65 1.385 -1.631 9.041 1.00 0.00 N ATOM 1032 CA PRO A 65 2.235 -0.455 9.111 1.00 0.00 C ATOM 1033 C PRO A 65 3.712 -0.839 8.992 1.00 0.00 C ATOM 1034 O PRO A 65 4.061 -2.013 9.086 1.00 0.00 O ATOM 1035 CB PRO A 65 1.896 0.198 10.442 1.00 0.00 C ATOM 1036 CG PRO A 65 1.216 -0.879 11.271 1.00 0.00 C ATOM 1037 CD PRO A 65 0.840 -2.019 10.339 1.00 0.00 C ATOM 0 HA PRO A 65 2.063 0.238 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.795 0.564 10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.239 1.056 10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.883 -1.233 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.329 -0.479 11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.262 -2.965 10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.241 -2.151 10.291 1.00 0.00 H new ATOM 1045 N TYR A 66 4.538 0.177 8.787 1.00 0.00 N ATOM 1046 CA TYR A 66 5.970 -0.038 8.654 1.00 0.00 C ATOM 1047 C TYR A 66 6.591 -0.434 9.995 1.00 0.00 C ATOM 1048 O TYR A 66 7.489 -1.273 10.043 1.00 0.00 O ATOM 1049 CB TYR A 66 6.558 1.300 8.206 1.00 0.00 C ATOM 1050 CG TYR A 66 8.048 1.460 8.516 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.991 0.961 7.642 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.447 2.103 9.670 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.393 1.111 7.933 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.849 2.253 9.962 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.753 1.749 9.079 1.00 0.00 C ATOM 1056 OH TYR A 66 12.078 1.891 9.355 1.00 0.00 O ATOM 0 H TYR A 66 4.244 1.151 8.710 1.00 0.00 H new ATOM 0 HA TYR A 66 6.174 -0.841 7.945 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.407 1.410 7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.008 2.107 8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.678 0.458 6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.708 2.494 10.354 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.142 0.726 7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.175 2.754 10.861 1.00 0.00 H new ATOM 0 HH TYR A 66 12.186 2.367 10.205 1.00 0.00 H new ATOM 1066 N GLU A 67 6.090 0.191 11.049 1.00 0.00 N ATOM 1067 CA GLU A 67 6.586 -0.085 12.388 1.00 0.00 C ATOM 1068 C GLU A 67 6.565 -1.590 12.661 1.00 0.00 C ATOM 1069 O GLU A 67 7.565 -2.158 13.101 1.00 0.00 O ATOM 1070 CB GLU A 67 5.775 0.675 13.439 1.00 0.00 C ATOM 1071 CG GLU A 67 6.691 1.484 14.359 1.00 0.00 C ATOM 1072 CD GLU A 67 6.154 1.501 15.792 1.00 0.00 C ATOM 1073 OE1 GLU A 67 6.088 0.404 16.387 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.822 2.612 16.261 1.00 0.00 O ATOM 0 H GLU A 67 5.346 0.887 11.004 1.00 0.00 H new ATOM 0 HA GLU A 67 7.617 0.261 12.452 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.068 1.342 12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.189 -0.029 14.030 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.693 1.056 14.348 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.776 2.505 13.987 1.00 0.00 H new ATOM 1081 N GLU A 68 5.418 -2.193 12.391 1.00 0.00 N ATOM 1082 CA GLU A 68 5.255 -3.621 12.602 1.00 0.00 C ATOM 1083 C GLU A 68 6.156 -4.406 11.646 1.00 0.00 C ATOM 1084 O GLU A 68 6.861 -5.322 12.064 1.00 0.00 O ATOM 1085 CB GLU A 68 3.791 -4.036 12.441 1.00 0.00 C ATOM 1086 CG GLU A 68 3.190 -4.460 13.783 1.00 0.00 C ATOM 1087 CD GLU A 68 1.743 -3.980 13.912 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.049 -3.989 12.874 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.365 -3.615 15.047 1.00 0.00 O ATOM 0 H GLU A 68 4.591 -1.719 12.028 1.00 0.00 H new ATOM 0 HA GLU A 68 5.554 -3.853 13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.218 -3.206 12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.719 -4.859 11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.226 -5.545 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.787 -4.051 14.598 1.00 0.00 H new ATOM 1096 N SER A 69 6.102 -4.016 10.380 1.00 0.00 N ATOM 1097 CA SER A 69 6.903 -4.672 9.361 1.00 0.00 C ATOM 1098 C SER A 69 8.370 -4.718 9.799 1.00 0.00 C ATOM 1099 O SER A 69 8.985 -5.783 9.810 1.00 0.00 O ATOM 1100 CB SER A 69 6.774 -3.957 8.014 1.00 0.00 C ATOM 1101 OG SER A 69 6.713 -4.876 6.927 1.00 0.00 O ATOM 0 H SER A 69 5.516 -3.254 10.038 1.00 0.00 H new ATOM 0 HA SER A 69 6.534 -5.690 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.877 -3.338 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.623 -3.288 7.876 1.00 0.00 H new ATOM 0 HG SER A 69 6.629 -4.382 6.085 1.00 0.00 H new ATOM 1107 N LYS A 70 8.887 -3.549 10.147 1.00 0.00 N ATOM 1108 CA LYS A 70 10.269 -3.443 10.584 1.00 0.00 C ATOM 1109 C LYS A 70 10.461 -4.264 11.861 1.00 0.00 C ATOM 1110 O LYS A 70 11.575 -4.680 12.175 1.00 0.00 O ATOM 1111 CB LYS A 70 10.674 -1.976 10.731 1.00 0.00 C ATOM 1112 CG LYS A 70 10.622 -1.536 12.196 1.00 0.00 C ATOM 1113 CD LYS A 70 10.493 -0.016 12.309 1.00 0.00 C ATOM 1114 CE LYS A 70 11.676 0.580 13.073 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.251 1.773 13.839 1.00 0.00 N ATOM 0 H LYS A 70 8.374 -2.667 10.135 1.00 0.00 H new ATOM 0 HA LYS A 70 10.938 -3.861 9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.681 -1.832 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.009 -1.350 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.778 -2.014 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.524 -1.867 12.711 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.441 0.423 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.563 0.237 12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.091 -0.166 13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.468 0.852 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.067 2.165 14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.876 2.490 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.512 1.504 14.519 1.00 0.00 H new ATOM 1129 N GLU A 71 9.357 -4.475 12.562 1.00 0.00 N ATOM 1130 CA GLU A 71 9.390 -5.238 13.797 1.00 0.00 C ATOM 1131 C GLU A 71 9.883 -6.662 13.529 1.00 0.00 C ATOM 1132 O GLU A 71 10.707 -7.187 14.276 1.00 0.00 O ATOM 1133 CB GLU A 71 8.014 -5.254 14.470 1.00 0.00 C ATOM 1134 CG GLU A 71 8.143 -5.085 15.985 1.00 0.00 C ATOM 1135 CD GLU A 71 6.797 -5.310 16.677 1.00 0.00 C ATOM 1136 OE1 GLU A 71 5.879 -4.506 16.410 1.00 0.00 O ATOM 1137 OE2 GLU A 71 6.717 -6.284 17.457 1.00 0.00 O ATOM 0 H GLU A 71 8.434 -4.131 12.298 1.00 0.00 H new ATOM 0 HA GLU A 71 10.088 -4.754 14.480 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.397 -4.454 14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.507 -6.193 14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.878 -5.791 16.372 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.511 -4.085 16.213 1.00 0.00 H new ATOM 1144 N LYS A 72 9.360 -7.245 12.461 1.00 0.00 N ATOM 1145 CA LYS A 72 9.738 -8.595 12.085 1.00 0.00 C ATOM 1146 C LYS A 72 10.885 -8.537 11.076 1.00 0.00 C ATOM 1147 O LYS A 72 12.003 -8.954 11.376 1.00 0.00 O ATOM 1148 CB LYS A 72 8.518 -9.373 11.584 1.00 0.00 C ATOM 1149 CG LYS A 72 8.933 -10.721 10.991 1.00 0.00 C ATOM 1150 CD LYS A 72 9.277 -11.724 12.093 1.00 0.00 C ATOM 1151 CE LYS A 72 10.756 -12.105 12.047 1.00 0.00 C ATOM 1152 NZ LYS A 72 10.972 -13.428 12.676 1.00 0.00 N ATOM 0 H LYS A 72 8.677 -6.806 11.844 1.00 0.00 H new ATOM 0 HA LYS A 72 10.104 -9.143 12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.821 -9.533 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.992 -8.786 10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.125 -11.115 10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.794 -10.585 10.337 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.039 -11.296 13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.664 -12.618 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.100 -12.127 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.348 -11.350 12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.982 -13.671 12.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.663 -13.395 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.422 -14.149 12.166 1.00 0.00 H new ATOM 1166 N PHE A 73 10.571 -8.015 9.899 1.00 0.00 N ATOM 1167 CA PHE A 73 11.562 -7.896 8.844 1.00 0.00 C ATOM 1168 C PHE A 73 11.526 -6.503 8.211 1.00 0.00 C ATOM 1169 O PHE A 73 12.554 -5.834 8.114 1.00 0.00 O ATOM 1170 CB PHE A 73 11.209 -8.936 7.778 1.00 0.00 C ATOM 1171 CG PHE A 73 9.787 -8.807 7.231 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.722 -9.045 8.043 1.00 0.00 C ATOM 1173 CD2 PHE A 73 9.587 -8.456 5.933 1.00 0.00 C ATOM 1174 CE1 PHE A 73 7.401 -8.926 7.534 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.266 -8.336 5.424 1.00 0.00 C ATOM 1176 CZ PHE A 73 7.201 -8.575 6.236 1.00 0.00 C ATOM 0 H PHE A 73 9.643 -7.670 9.653 1.00 0.00 H new ATOM 0 HA PHE A 73 12.560 -8.054 9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.915 -8.848 6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.336 -9.933 8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.881 -9.324 9.074 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.433 -8.268 5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.555 -9.114 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.107 -8.055 4.393 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.197 -8.486 5.849 1.00 0.00 H new ATOM 1186 N GLY A 74 10.331 -6.108 7.797 1.00 0.00 N ATOM 1187 CA GLY A 74 10.148 -4.807 7.176 1.00 0.00 C ATOM 1188 C GLY A 74 10.799 -4.761 5.793 1.00 0.00 C ATOM 1189 O GLY A 74 10.772 -3.731 5.123 1.00 0.00 O ATOM 0 H GLY A 74 9.481 -6.665 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.084 -4.589 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.580 -4.033 7.811 1.00 0.00 H new ATOM 1193 N LYS A 75 11.368 -5.894 5.405 1.00 0.00 N ATOM 1194 CA LYS A 75 12.026 -5.997 4.113 1.00 0.00 C ATOM 1195 C LYS A 75 11.572 -7.281 3.416 1.00 0.00 C ATOM 1196 O LYS A 75 12.092 -8.361 3.696 1.00 0.00 O ATOM 1197 CB LYS A 75 13.543 -5.887 4.274 1.00 0.00 C ATOM 1198 CG LYS A 75 14.073 -6.965 5.221 1.00 0.00 C ATOM 1199 CD LYS A 75 15.240 -6.435 6.056 1.00 0.00 C ATOM 1200 CE LYS A 75 16.200 -7.564 6.438 1.00 0.00 C ATOM 1201 NZ LYS A 75 17.410 -7.017 7.092 1.00 0.00 N ATOM 0 H LYS A 75 11.387 -6.748 5.963 1.00 0.00 H new ATOM 0 HA LYS A 75 11.737 -5.166 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.024 -5.985 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.801 -4.901 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.272 -7.301 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.397 -7.832 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.777 -5.671 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.858 -5.957 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.701 -8.262 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.483 -8.125 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.051 -7.796 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.894 -6.369 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.136 -6.501 7.953 1.00 0.00 H new ATOM 1215 N PRO A 76 10.582 -7.118 2.498 1.00 0.00 N ATOM 1216 CA PRO A 76 10.053 -8.251 1.759 1.00 0.00 C ATOM 1217 C PRO A 76 11.032 -8.705 0.673 1.00 0.00 C ATOM 1218 O PRO A 76 12.067 -8.074 0.465 1.00 0.00 O ATOM 1219 CB PRO A 76 8.724 -7.769 1.197 1.00 0.00 C ATOM 1220 CG PRO A 76 8.777 -6.252 1.249 1.00 0.00 C ATOM 1221 CD PRO A 76 9.943 -5.855 2.141 1.00 0.00 C ATOM 0 HA PRO A 76 9.910 -9.131 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.581 -8.120 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.889 -8.151 1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.905 -5.840 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.843 -5.851 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.635 -5.195 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.600 -5.320 3.027 1.00 0.00 H new ATOM 1229 N ASN A 77 10.669 -9.794 0.012 1.00 0.00 N ATOM 1230 CA ASN A 77 11.503 -10.339 -1.046 1.00 0.00 C ATOM 1231 C ASN A 77 11.912 -9.211 -1.997 1.00 0.00 C ATOM 1232 O ASN A 77 11.063 -8.601 -2.643 1.00 0.00 O ATOM 1233 CB ASN A 77 10.745 -11.391 -1.858 1.00 0.00 C ATOM 1234 CG ASN A 77 10.910 -12.781 -1.241 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.761 -12.809 0.079 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 11.157 -13.765 -1.922 1.00 0.00 N flip ATOM 0 H ASN A 77 9.809 -10.314 0.188 1.00 0.00 H new ATOM 0 HA ASN A 77 12.376 -10.801 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.687 -11.131 -1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.113 -11.398 -2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.259 -13.673 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.261 -14.678 -1.480 1.00 0.00 H new ATOM 1243 N LYS A 78 13.215 -8.974 -2.054 1.00 0.00 N ATOM 1244 CA LYS A 78 13.746 -7.930 -2.915 1.00 0.00 C ATOM 1245 C LYS A 78 13.667 -8.390 -4.373 1.00 0.00 C ATOM 1246 O LYS A 78 14.677 -8.765 -4.966 1.00 0.00 O ATOM 1247 CB LYS A 78 15.156 -7.537 -2.472 1.00 0.00 C ATOM 1248 CG LYS A 78 15.211 -6.064 -2.061 1.00 0.00 C ATOM 1249 CD LYS A 78 14.770 -5.884 -0.608 1.00 0.00 C ATOM 1250 CE LYS A 78 15.883 -6.294 0.358 1.00 0.00 C ATOM 1251 NZ LYS A 78 15.542 -7.568 1.031 1.00 0.00 N ATOM 0 H LYS A 78 13.917 -9.486 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 78 13.145 -7.024 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.466 -8.163 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.860 -7.718 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.225 -5.685 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.568 -5.476 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.497 -4.843 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.880 -6.483 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.822 -6.403 -0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.033 -5.512 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.408 -8.124 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.096 -7.367 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.882 -8.109 0.437 1.00 0.00 H new ATOM 1265 N ARG A 79 12.455 -8.346 -4.909 1.00 0.00 N ATOM 1266 CA ARG A 79 12.230 -8.753 -6.285 1.00 0.00 C ATOM 1267 C ARG A 79 12.372 -7.552 -7.223 1.00 0.00 C ATOM 1268 O ARG A 79 12.753 -6.465 -6.792 1.00 0.00 O ATOM 1269 CB ARG A 79 10.838 -9.365 -6.457 1.00 0.00 C ATOM 1270 CG ARG A 79 10.680 -10.616 -5.593 1.00 0.00 C ATOM 1271 CD ARG A 79 10.723 -11.884 -6.450 1.00 0.00 C ATOM 1272 NE ARG A 79 10.708 -13.083 -5.582 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.644 -14.340 -6.040 1.00 0.00 C ATOM 1274 NH1 ARG A 79 10.590 -14.572 -7.358 1.00 0.00 N ATOM 1275 NH2 ARG A 79 10.635 -15.368 -5.179 1.00 0.00 N ATOM 0 H ARG A 79 11.619 -8.035 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 79 12.978 -9.505 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.078 -8.632 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.675 -9.619 -7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.474 -10.650 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.735 -10.571 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.869 -11.904 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.620 -11.884 -7.069 1.00 0.00 H new ATOM 0 HE ARG A 79 10.749 -12.943 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.598 -13.791 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.541 -15.530 -7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.677 -15.193 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.586 -16.325 -5.528 1.00 0.00 H new ATOM 1289 N LYS A 80 12.057 -7.789 -8.487 1.00 0.00 N ATOM 1290 CA LYS A 80 12.144 -6.741 -9.490 1.00 0.00 C ATOM 1291 C LYS A 80 11.099 -5.666 -9.189 1.00 0.00 C ATOM 1292 O LYS A 80 11.445 -4.519 -8.911 1.00 0.00 O ATOM 1293 CB LYS A 80 12.031 -7.334 -10.896 1.00 0.00 C ATOM 1294 CG LYS A 80 13.351 -7.202 -11.656 1.00 0.00 C ATOM 1295 CD LYS A 80 13.256 -7.848 -13.039 1.00 0.00 C ATOM 1296 CE LYS A 80 14.642 -8.004 -13.668 1.00 0.00 C ATOM 1297 NZ LYS A 80 14.569 -8.853 -14.877 1.00 0.00 N ATOM 0 H LYS A 80 11.741 -8.692 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 80 13.120 -6.257 -9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.750 -8.385 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.239 -6.826 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.611 -6.149 -11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.152 -7.673 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.778 -8.824 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.625 -7.239 -13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.042 -7.024 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.328 -8.447 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.518 -8.949 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.207 -9.793 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.931 -8.415 -15.571 1.00 0.00 H new ATOM 1311 N GLY A 81 9.840 -6.074 -9.257 1.00 0.00 N ATOM 1312 CA GLY A 81 8.741 -5.159 -8.995 1.00 0.00 C ATOM 1313 C GLY A 81 8.803 -4.625 -7.563 1.00 0.00 C ATOM 1314 O GLY A 81 8.092 -3.681 -7.220 1.00 0.00 O ATOM 0 H GLY A 81 9.556 -7.026 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.779 -4.328 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.792 -5.670 -9.156 1.00 0.00 H new ATOM 1318 N PHE A 82 9.658 -5.250 -6.768 1.00 0.00 N ATOM 1319 CA PHE A 82 9.822 -4.847 -5.382 1.00 0.00 C ATOM 1320 C PHE A 82 10.696 -3.596 -5.273 1.00 0.00 C ATOM 1321 O PHE A 82 10.428 -2.718 -4.454 1.00 0.00 O ATOM 1322 CB PHE A 82 10.517 -6.004 -4.659 1.00 0.00 C ATOM 1323 CG PHE A 82 11.104 -5.624 -3.299 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.115 -4.717 -3.224 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.617 -6.194 -2.164 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.661 -4.365 -1.961 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.163 -5.842 -0.902 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.173 -4.935 -0.827 1.00 0.00 C ATOM 0 H PHE A 82 10.245 -6.033 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 82 8.850 -4.618 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.802 -6.815 -4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.316 -6.388 -5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.502 -4.265 -4.125 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.815 -6.915 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.464 -3.645 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.776 -6.295 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.588 -4.667 0.134 1.00 0.00 H new ATOM 1338 N SER A 83 11.722 -3.555 -6.111 1.00 0.00 N ATOM 1339 CA SER A 83 12.635 -2.426 -6.119 1.00 0.00 C ATOM 1340 C SER A 83 11.967 -1.215 -6.775 1.00 0.00 C ATOM 1341 O SER A 83 11.843 -0.160 -6.156 1.00 0.00 O ATOM 1342 CB SER A 83 13.934 -2.774 -6.848 1.00 0.00 C ATOM 1343 OG SER A 83 14.946 -1.793 -6.635 1.00 0.00 O ATOM 0 H SER A 83 11.940 -4.285 -6.789 1.00 0.00 H new ATOM 0 HA SER A 83 12.883 -2.180 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.293 -3.745 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.737 -2.865 -7.916 1.00 0.00 H new ATOM 0 HG SER A 83 15.760 -2.053 -7.115 1.00 0.00 H new ATOM 1349 N GLU A 84 11.555 -1.410 -8.018 1.00 0.00 N ATOM 1350 CA GLU A 84 10.902 -0.348 -8.765 1.00 0.00 C ATOM 1351 C GLU A 84 9.580 0.037 -8.097 1.00 0.00 C ATOM 1352 O GLU A 84 9.157 1.190 -8.168 1.00 0.00 O ATOM 1353 CB GLU A 84 10.681 -0.757 -10.223 1.00 0.00 C ATOM 1354 CG GLU A 84 9.328 -1.452 -10.397 1.00 0.00 C ATOM 1355 CD GLU A 84 9.160 -1.973 -11.826 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.637 -3.099 -12.079 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.556 -1.232 -12.632 1.00 0.00 O ATOM 0 H GLU A 84 11.660 -2.287 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 84 11.555 0.524 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.726 0.124 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.481 -1.425 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.247 -2.280 -9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.524 -0.754 -10.163 1.00 0.00 H new ATOM 1364 N GLY A 85 8.967 -0.951 -7.462 1.00 0.00 N ATOM 1365 CA GLY A 85 7.702 -0.731 -6.782 1.00 0.00 C ATOM 1366 C GLY A 85 7.889 0.161 -5.552 1.00 0.00 C ATOM 1367 O GLY A 85 7.213 1.177 -5.409 1.00 0.00 O ATOM 0 H GLY A 85 9.323 -1.905 -7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.992 -0.268 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.276 -1.688 -6.481 1.00 0.00 H new ATOM 1371 N LEU A 86 8.810 -0.254 -4.695 1.00 0.00 N ATOM 1372 CA LEU A 86 9.095 0.493 -3.482 1.00 0.00 C ATOM 1373 C LEU A 86 9.589 1.893 -3.855 1.00 0.00 C ATOM 1374 O LEU A 86 9.409 2.841 -3.094 1.00 0.00 O ATOM 1375 CB LEU A 86 10.064 -0.284 -2.589 1.00 0.00 C ATOM 1376 CG LEU A 86 11.013 0.560 -1.735 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.004 1.329 -2.611 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.232 1.489 -0.804 1.00 0.00 C ATOM 0 H LEU A 86 9.369 -1.099 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 86 8.188 0.621 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.482 -0.924 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.662 -0.940 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 86 11.595 -0.113 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.666 1.920 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.595 0.625 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.458 1.991 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.930 2.078 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.608 2.157 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.601 0.895 -0.142 1.00 0.00 H new ATOM 1390 N TRP A 87 10.203 1.976 -5.026 1.00 0.00 N ATOM 1391 CA TRP A 87 10.726 3.244 -5.510 1.00 0.00 C ATOM 1392 C TRP A 87 9.599 3.966 -6.251 1.00 0.00 C ATOM 1393 O TRP A 87 9.640 5.183 -6.414 1.00 0.00 O ATOM 1394 CB TRP A 87 11.970 3.030 -6.372 1.00 0.00 C ATOM 1395 CG TRP A 87 13.211 3.767 -5.867 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.592 5.024 -6.135 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.227 3.240 -4.987 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.773 5.343 -5.497 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.171 4.223 -4.776 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.343 1.972 -4.389 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.300 4.042 -3.967 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.476 1.807 -3.583 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.437 2.788 -3.361 1.00 0.00 C ATOM 0 H TRP A 87 10.350 1.186 -5.654 1.00 0.00 H new ATOM 0 HA TRP A 87 11.054 3.870 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.188 1.963 -6.419 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.755 3.357 -7.389 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.043 5.702 -6.771 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.264 6.236 -5.545 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.616 1.188 -4.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.026 4.828 -3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.613 0.851 -3.100 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.285 2.583 -2.724 1.00 0.00 H new ATOM 1414 N GLU A 88 8.621 3.183 -6.683 1.00 0.00 N ATOM 1415 CA GLU A 88 7.486 3.733 -7.404 1.00 0.00 C ATOM 1416 C GLU A 88 6.606 4.555 -6.461 1.00 0.00 C ATOM 1417 O GLU A 88 5.918 5.478 -6.895 1.00 0.00 O ATOM 1418 CB GLU A 88 6.677 2.625 -8.082 1.00 0.00 C ATOM 1419 CG GLU A 88 6.999 2.549 -9.577 1.00 0.00 C ATOM 1420 CD GLU A 88 6.132 1.495 -10.269 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.929 1.780 -10.452 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.693 0.428 -10.602 1.00 0.00 O ATOM 0 H GLU A 88 8.591 2.172 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 88 7.863 4.393 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.897 1.668 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.612 2.811 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.833 3.522 -10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.053 2.306 -9.714 1.00 0.00 H new ATOM 1429 N ILE A 89 6.655 4.190 -5.189 1.00 0.00 N ATOM 1430 CA ILE A 89 5.870 4.882 -4.181 1.00 0.00 C ATOM 1431 C ILE A 89 6.734 5.958 -3.517 1.00 0.00 C ATOM 1432 O ILE A 89 6.280 7.081 -3.306 1.00 0.00 O ATOM 1433 CB ILE A 89 5.266 3.883 -3.193 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.822 4.582 -1.907 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.236 2.733 -2.913 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.985 4.706 -0.920 1.00 0.00 C ATOM 0 H ILE A 89 7.226 3.424 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 89 5.023 5.391 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 89 4.375 3.450 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.434 5.573 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.008 4.022 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.782 2.037 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.460 2.211 -3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.158 3.130 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.642 5.207 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.355 3.712 -0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.787 5.287 -1.374 1.00 0.00 H new ATOM 1448 N GLU A 90 7.963 5.574 -3.207 1.00 0.00 N ATOM 1449 CA GLU A 90 8.895 6.492 -2.573 1.00 0.00 C ATOM 1450 C GLU A 90 9.393 7.527 -3.584 1.00 0.00 C ATOM 1451 O GLU A 90 9.691 8.664 -3.218 1.00 0.00 O ATOM 1452 CB GLU A 90 10.065 5.735 -1.942 1.00 0.00 C ATOM 1453 CG GLU A 90 9.760 5.368 -0.489 1.00 0.00 C ATOM 1454 CD GLU A 90 10.689 6.114 0.473 1.00 0.00 C ATOM 1455 OE1 GLU A 90 10.852 7.337 0.269 1.00 0.00 O ATOM 1456 OE2 GLU A 90 11.214 5.444 1.388 1.00 0.00 O ATOM 0 H GLU A 90 8.335 4.641 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 90 8.371 7.017 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.268 4.830 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.965 6.348 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.722 5.610 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.874 4.293 -0.350 1.00 0.00 H new ATOM 1463 N ASN A 91 9.465 7.098 -4.834 1.00 0.00 N ATOM 1464 CA ASN A 91 9.921 7.973 -5.900 1.00 0.00 C ATOM 1465 C ASN A 91 8.975 7.849 -7.097 1.00 0.00 C ATOM 1466 O ASN A 91 9.352 7.315 -8.137 1.00 0.00 O ATOM 1467 CB ASN A 91 11.326 7.588 -6.367 1.00 0.00 C ATOM 1468 CG ASN A 91 12.240 7.297 -5.176 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.846 6.266 -4.432 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.235 7.961 -4.946 1.00 0.00 N flip ATOM 0 H ASN A 91 9.215 6.155 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 91 9.936 8.993 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.271 6.710 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.748 8.396 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.481 8.740 -5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.822 7.738 -4.142 1.00 0.00 H new ATOM 1477 N ASN A 92 7.764 8.354 -6.907 1.00 0.00 N ATOM 1478 CA ASN A 92 6.762 8.307 -7.957 1.00 0.00 C ATOM 1479 C ASN A 92 7.223 9.165 -9.137 1.00 0.00 C ATOM 1480 O ASN A 92 7.963 10.131 -8.954 1.00 0.00 O ATOM 1481 CB ASN A 92 5.423 8.860 -7.465 1.00 0.00 C ATOM 1482 CG ASN A 92 5.625 10.135 -6.643 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.704 10.700 -6.581 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.528 10.555 -6.018 1.00 0.00 N ATOM 0 H ASN A 92 7.455 8.797 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 92 6.635 7.266 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.777 9.071 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.916 8.109 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.559 11.398 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.656 10.034 -6.113 1.00 0.00 H new