USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 86 THR OG1 : rot 180:sc= 0.00407 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 78 MET CE :methyl 148:sc= -4.96! (180deg=-7.38!) USER MOD Set 2.2: A 110 THR OG1 : rot 76:sc= 0.742 USER MOD Single : A 10 THR OG1 : rot 22:sc= 0.535 USER MOD Single : A 14 GLN :FLIP amide:sc= -7.31! C(o=-13!,f=-7.3!) USER MOD Single : A 19 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= 0.844 (180deg=-0.132) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.889 K(o=0.89,f=-0.41) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 163:sc= -1.18 USER MOD Single : A 72 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.9!) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0496) USER MOD Single : A 79 GLN : amide:sc= 0.986 K(o=0.99,f=-5.3!) USER MOD Single : A 81 ASN : amide:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 85 MET CE :methyl -149:sc= -1.75! (180deg=-5.17!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 90 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-5.2!) USER MOD Single : A 92 GLN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0092) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.07) USER MOD Single : A 101 SER OG : rot 180:sc= -1.77! USER MOD Single : A 112 GLN : amide:sc= -1.42! C(o=-1.4!,f=-14!) USER MOD Single : A 113 SER OG : rot -34:sc= 0.488 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.814 6.108 3.447 1.00 1.00 N ATOM 140 CA THR A 10 -15.484 5.415 4.657 1.00 1.07 C ATOM 141 C THR A 10 -14.734 4.146 4.307 1.00 0.92 C ATOM 142 O THR A 10 -15.298 3.055 4.216 1.00 0.99 O ATOM 143 CB THR A 10 -16.731 5.074 5.469 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.748 6.066 5.247 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.409 5.018 6.952 1.00 1.90 C ATOM 0 HA THR A 10 -14.861 6.066 5.270 1.00 1.07 H new ATOM 0 HB THR A 10 -17.090 4.097 5.145 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.579 6.524 4.397 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.312 4.774 7.511 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.653 4.254 7.132 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.031 5.987 7.279 1.00 1.90 H new ATOM 153 N ALA A 11 -13.469 4.345 4.036 1.00 0.83 N ATOM 154 CA ALA A 11 -12.528 3.270 3.817 1.00 0.74 C ATOM 155 C ALA A 11 -12.211 2.545 5.120 1.00 0.77 C ATOM 156 O ALA A 11 -12.506 3.035 6.212 1.00 0.96 O ATOM 157 CB ALA A 11 -11.262 3.831 3.186 1.00 0.70 C ATOM 0 H ALA A 11 -13.055 5.274 3.960 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.973 2.541 3.140 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.550 3.023 3.019 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.508 4.301 2.233 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.821 4.572 3.853 1.00 0.70 H new ATOM 163 N VAL A 12 -11.604 1.389 4.989 1.00 0.65 N ATOM 164 CA VAL A 12 -11.261 0.555 6.138 1.00 0.72 C ATOM 165 C VAL A 12 -9.771 0.212 6.113 1.00 0.54 C ATOM 166 O VAL A 12 -9.233 -0.183 5.085 1.00 0.54 O ATOM 167 CB VAL A 12 -12.124 -0.733 6.186 1.00 0.89 C ATOM 168 CG1 VAL A 12 -12.003 -1.531 4.898 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.761 -1.585 7.398 1.00 1.38 C ATOM 0 H VAL A 12 -11.331 0.993 4.090 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.476 1.122 7.044 1.00 0.72 H new ATOM 0 HB VAL A 12 -13.167 -0.431 6.286 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.620 -2.427 4.966 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -12.339 -0.921 4.059 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -10.963 -1.818 4.744 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.379 -2.483 7.410 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -10.710 -1.869 7.342 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -11.934 -1.013 8.310 1.00 1.38 H new ATOM 179 N VAL A 13 -9.102 0.381 7.236 1.00 0.52 N ATOM 180 CA VAL A 13 -7.656 0.224 7.282 1.00 0.44 C ATOM 181 C VAL A 13 -7.258 -1.231 7.533 1.00 0.41 C ATOM 182 O VAL A 13 -7.601 -1.822 8.560 1.00 0.50 O ATOM 183 CB VAL A 13 -7.042 1.128 8.364 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.532 0.974 8.411 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.434 2.582 8.124 1.00 1.02 C ATOM 0 H VAL A 13 -9.532 0.626 8.128 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.267 0.522 6.308 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.436 0.820 9.332 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.124 1.624 9.185 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.279 -0.062 8.637 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.108 1.249 7.445 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.992 3.210 8.897 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.071 2.900 7.147 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.519 2.676 8.156 1.00 1.02 H new ATOM 195 N GLN A 14 -6.534 -1.798 6.579 1.00 0.37 N ATOM 196 CA GLN A 14 -6.078 -3.185 6.667 1.00 0.40 C ATOM 197 C GLN A 14 -4.549 -3.271 6.777 1.00 0.32 C ATOM 198 O GLN A 14 -3.844 -2.274 6.624 1.00 0.41 O ATOM 199 CB GLN A 14 -6.583 -3.979 5.456 1.00 0.51 C ATOM 200 CG GLN A 14 -5.968 -3.589 4.136 1.00 0.53 C ATOM 201 CD GLN A 14 -4.793 -4.474 3.760 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.592 -4.040 4.099 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.965 -5.524 3.148 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.246 -1.317 5.727 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.492 -3.622 7.575 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.392 -5.038 5.630 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.664 -3.857 5.386 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.726 -3.645 3.355 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.637 -2.552 4.185 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.909 -5.824 2.905 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.164 -6.097 2.882 1.00 0.55 H new ATOM 212 N ARG A 15 -4.044 -4.470 7.044 1.00 0.32 N ATOM 213 CA ARG A 15 -2.610 -4.692 7.186 1.00 0.39 C ATOM 214 C ARG A 15 -2.066 -5.611 6.101 1.00 0.33 C ATOM 215 O ARG A 15 -2.687 -6.611 5.751 1.00 0.55 O ATOM 216 CB ARG A 15 -2.295 -5.307 8.552 1.00 0.70 C ATOM 217 CG ARG A 15 -2.346 -4.321 9.696 1.00 0.75 C ATOM 218 CD ARG A 15 -1.256 -3.282 9.557 1.00 1.44 C ATOM 219 NE ARG A 15 -1.320 -2.297 10.638 1.00 2.26 N ATOM 220 CZ ARG A 15 -0.330 -1.464 10.965 1.00 2.85 C ATOM 221 NH1 ARG A 15 0.833 -1.522 10.327 1.00 2.98 N ATOM 222 NH2 ARG A 15 -0.499 -0.584 11.946 1.00 3.63 N ATOM 0 H ARG A 15 -4.611 -5.309 7.167 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.130 -3.718 7.092 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.003 -6.113 8.748 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.302 -5.756 8.517 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -3.320 -3.832 9.718 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.233 -4.849 10.643 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.282 -3.771 9.564 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -1.352 -2.777 8.596 1.00 1.44 H new ATOM 0 HE ARG A 15 -2.183 -2.244 11.180 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.973 -2.206 9.583 1.00 2.98 H new ATOM 0 HH12 ARG A 15 1.586 -0.883 10.581 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -1.385 -0.545 12.449 1.00 3.63 H new ATOM 0 HH22 ARG A 15 0.258 0.053 12.196 1.00 3.63 H new ATOM 236 N VAL A 16 -0.904 -5.252 5.570 1.00 0.25 N ATOM 237 CA VAL A 16 -0.177 -6.103 4.656 1.00 0.30 C ATOM 238 C VAL A 16 1.222 -6.348 5.204 1.00 0.26 C ATOM 239 O VAL A 16 1.952 -5.408 5.497 1.00 0.40 O ATOM 240 CB VAL A 16 -0.095 -5.496 3.226 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.990 -6.168 2.392 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.430 -5.625 2.518 1.00 0.64 C ATOM 0 H VAL A 16 -0.445 -4.362 5.765 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.717 -7.046 4.572 1.00 0.30 H new ATOM 0 HB VAL A 16 0.160 -4.442 3.335 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.017 -5.718 1.400 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.957 -6.035 2.878 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.773 -7.232 2.302 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.355 -5.195 1.519 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.701 -6.678 2.441 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.195 -5.094 3.085 1.00 0.64 H new ATOM 252 N GLU A 17 1.578 -7.601 5.381 1.00 0.22 N ATOM 253 CA GLU A 17 2.884 -7.948 5.910 1.00 0.25 C ATOM 254 C GLU A 17 3.380 -9.222 5.259 1.00 0.24 C ATOM 255 O GLU A 17 2.696 -10.245 5.293 1.00 0.28 O ATOM 256 CB GLU A 17 2.814 -8.113 7.429 1.00 0.33 C ATOM 257 CG GLU A 17 4.110 -8.596 8.068 1.00 0.44 C ATOM 258 CD GLU A 17 4.075 -8.489 9.578 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.335 -9.271 10.212 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.764 -7.609 10.137 1.00 1.31 O ATOM 0 H GLU A 17 0.982 -8.400 5.167 1.00 0.22 H new ATOM 0 HA GLU A 17 3.584 -7.144 5.685 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.537 -7.157 7.874 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.019 -8.819 7.670 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.290 -9.632 7.783 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.944 -8.010 7.683 1.00 0.44 H new ATOM 267 N ILE A 18 4.554 -9.164 4.652 1.00 0.24 N ATOM 268 CA ILE A 18 5.104 -10.327 4.012 1.00 0.24 C ATOM 269 C ILE A 18 6.610 -10.323 4.176 1.00 0.27 C ATOM 270 O ILE A 18 7.219 -9.265 4.290 1.00 0.33 O ATOM 271 CB ILE A 18 4.718 -10.373 2.518 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.912 -11.786 1.973 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.518 -9.364 1.705 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.983 -12.790 2.607 1.00 0.61 C ATOM 0 H ILE A 18 5.134 -8.327 4.594 1.00 0.24 H new ATOM 0 HA ILE A 18 4.692 -11.219 4.484 1.00 0.24 H new ATOM 0 HB ILE A 18 3.666 -10.101 2.428 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.752 -11.780 0.895 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.943 -12.096 2.140 1.00 0.34 H new ATOM 0 HG21 ILE A 18 5.221 -9.423 0.658 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.325 -8.359 2.081 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.581 -9.586 1.794 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.167 -13.776 2.180 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.160 -12.821 3.682 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.950 -12.500 2.418 1.00 0.61 H new ATOM 286 N HIS A 19 7.214 -11.490 4.220 1.00 0.30 N ATOM 287 CA HIS A 19 8.652 -11.560 4.356 1.00 0.33 C ATOM 288 C HIS A 19 9.294 -11.344 2.997 1.00 0.35 C ATOM 289 O HIS A 19 9.137 -12.168 2.099 1.00 0.40 O ATOM 290 CB HIS A 19 9.087 -12.885 4.997 1.00 0.39 C ATOM 291 CG HIS A 19 8.748 -12.967 6.459 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.675 -13.256 7.440 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.570 -12.782 7.105 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.080 -13.251 8.619 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.803 -12.968 8.441 1.00 0.56 N ATOM 0 H HIS A 19 6.740 -12.392 4.165 1.00 0.30 H new ATOM 0 HA HIS A 19 8.990 -10.770 5.027 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.608 -13.711 4.471 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.163 -13.008 4.871 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.623 -12.534 6.649 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.557 -13.446 9.568 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.103 -12.899 9.180 1.00 0.56 H new ATOM 304 N LYS A 20 9.941 -10.177 2.871 1.00 0.34 N ATOM 305 CA LYS A 20 10.604 -9.707 1.635 1.00 0.36 C ATOM 306 C LYS A 20 11.084 -10.859 0.731 1.00 0.36 C ATOM 307 O LYS A 20 11.703 -11.824 1.198 1.00 0.42 O ATOM 308 CB LYS A 20 11.802 -8.803 1.998 1.00 0.40 C ATOM 309 CG LYS A 20 13.081 -9.553 2.376 1.00 1.42 C ATOM 310 CD LYS A 20 12.930 -10.342 3.665 1.00 2.33 C ATOM 311 CE LYS A 20 14.071 -11.329 3.857 1.00 3.13 C ATOM 312 NZ LYS A 20 13.969 -12.482 2.926 1.00 4.00 N ATOM 0 H LYS A 20 10.023 -9.514 3.641 1.00 0.34 H new ATOM 0 HA LYS A 20 9.858 -9.147 1.070 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.017 -8.151 1.151 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.515 -8.160 2.830 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.353 -10.232 1.568 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.899 -8.840 2.483 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.897 -9.655 4.511 1.00 2.33 H new ATOM 0 HD3 LYS A 20 11.982 -10.879 3.654 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.022 -10.819 3.701 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.068 -11.691 4.885 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 13.808 -13.354 3.470 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.175 -12.331 2.272 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 14.852 -12.570 2.384 1.00 4.00 H new ATOM 326 N LEU A 21 10.831 -10.742 -0.566 1.00 0.33 N ATOM 327 CA LEU A 21 11.164 -11.817 -1.492 1.00 0.37 C ATOM 328 C LEU A 21 12.444 -11.477 -2.233 1.00 0.41 C ATOM 329 O LEU A 21 12.417 -10.835 -3.274 1.00 0.45 O ATOM 330 CB LEU A 21 10.010 -12.048 -2.482 1.00 0.38 C ATOM 331 CG LEU A 21 10.198 -13.205 -3.469 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.285 -14.533 -2.730 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.054 -13.225 -4.479 1.00 0.48 C ATOM 0 H LEU A 21 10.401 -9.924 -0.997 1.00 0.33 H new ATOM 0 HA LEU A 21 11.318 -12.737 -0.929 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.098 -12.226 -1.912 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.856 -11.131 -3.051 1.00 0.38 H new ATOM 0 HG LEU A 21 11.134 -13.055 -4.006 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.418 -15.341 -3.449 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.132 -14.513 -2.045 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.366 -14.697 -2.166 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.198 -14.051 -5.175 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.107 -13.354 -3.954 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.039 -12.285 -5.030 1.00 0.48 H new ATOM 345 N ARG A 22 13.570 -11.883 -1.681 1.00 0.51 N ATOM 346 CA ARG A 22 14.855 -11.493 -2.232 1.00 0.61 C ATOM 347 C ARG A 22 15.114 -12.182 -3.569 1.00 0.60 C ATOM 348 O ARG A 22 14.694 -13.319 -3.796 1.00 0.66 O ATOM 349 CB ARG A 22 15.984 -11.809 -1.249 1.00 0.88 C ATOM 350 CG ARG A 22 16.268 -13.290 -1.109 1.00 1.19 C ATOM 351 CD ARG A 22 17.542 -13.542 -0.323 1.00 1.94 C ATOM 352 NE ARG A 22 17.902 -14.958 -0.314 1.00 2.47 N ATOM 353 CZ ARG A 22 19.113 -15.425 -0.009 1.00 3.28 C ATOM 354 NH1 ARG A 22 20.115 -14.589 0.250 1.00 3.78 N ATOM 355 NH2 ARG A 22 19.321 -16.734 0.032 1.00 3.97 N ATOM 0 H ARG A 22 13.623 -12.480 -0.856 1.00 0.51 H new ATOM 0 HA ARG A 22 14.829 -10.417 -2.402 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.892 -11.303 -1.576 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.727 -11.403 -0.271 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.430 -13.776 -0.610 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.355 -13.740 -2.098 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.357 -12.962 -0.756 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.412 -13.193 0.702 1.00 1.94 H new ATOM 0 HE ARG A 22 17.178 -15.635 -0.557 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.960 -13.581 0.216 1.00 3.78 H new ATOM 0 HH12 ARG A 22 21.038 -14.956 0.482 1.00 3.78 H new ATOM 0 HH21 ARG A 22 18.556 -17.378 -0.169 1.00 3.97 H new ATOM 0 HH22 ARG A 22 20.246 -17.096 0.265 1.00 3.97 H new ATOM 369 N GLN A 23 15.773 -11.465 -4.461 1.00 0.68 N ATOM 370 CA GLN A 23 16.211 -12.014 -5.722 1.00 0.81 C ATOM 371 C GLN A 23 17.707 -11.811 -5.848 1.00 0.93 C ATOM 372 O GLN A 23 18.143 -10.755 -6.305 1.00 1.02 O ATOM 373 CB GLN A 23 15.524 -11.295 -6.881 1.00 0.90 C ATOM 374 CG GLN A 23 15.335 -12.172 -8.099 1.00 1.04 C ATOM 375 CD GLN A 23 14.050 -12.990 -8.061 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.561 -13.307 -6.869 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 13.492 -13.327 -9.104 1.00 0.69 N flip ATOM 0 H GLN A 23 16.018 -10.484 -4.327 1.00 0.68 H new ATOM 0 HA GLN A 23 15.959 -13.074 -5.756 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.552 -10.931 -6.549 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.114 -10.421 -7.159 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.333 -11.546 -8.991 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.185 -12.848 -8.186 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.894 -13.067 -10.005 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.627 -13.866 -9.068 1.00 0.69 H new ATOM 386 N GLY A 24 18.484 -12.811 -5.448 1.00 1.03 N ATOM 387 CA GLY A 24 19.921 -12.674 -5.415 1.00 1.19 C ATOM 388 C GLY A 24 20.353 -11.547 -4.502 1.00 1.23 C ATOM 389 O GLY A 24 20.571 -11.745 -3.304 1.00 1.33 O ATOM 0 H GLY A 24 18.137 -13.721 -5.144 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.368 -13.609 -5.077 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.293 -12.489 -6.423 1.00 1.19 H new ATOM 393 N GLU A 25 20.439 -10.362 -5.073 1.00 1.27 N ATOM 394 CA GLU A 25 20.889 -9.188 -4.352 1.00 1.43 C ATOM 395 C GLU A 25 19.749 -8.200 -4.124 1.00 1.40 C ATOM 396 O GLU A 25 19.909 -7.196 -3.430 1.00 1.61 O ATOM 397 CB GLU A 25 22.008 -8.531 -5.140 1.00 1.67 C ATOM 398 CG GLU A 25 23.151 -9.486 -5.419 1.00 1.84 C ATOM 399 CD GLU A 25 23.925 -9.847 -4.170 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.654 -8.980 -3.642 1.00 2.33 O ATOM 401 OE2 GLU A 25 23.820 -10.997 -3.712 1.00 2.21 O ATOM 0 H GLU A 25 20.199 -10.186 -6.049 1.00 1.27 H new ATOM 0 HA GLU A 25 21.252 -9.494 -3.371 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.613 -8.155 -6.084 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.383 -7.671 -4.586 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.757 -10.395 -5.874 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.828 -9.034 -6.144 1.00 1.84 H new ATOM 408 N ASN A 26 18.597 -8.500 -4.697 1.00 1.21 N ATOM 409 CA ASN A 26 17.466 -7.582 -4.675 1.00 1.23 C ATOM 410 C ASN A 26 16.400 -8.051 -3.705 1.00 1.05 C ATOM 411 O ASN A 26 16.466 -9.158 -3.182 1.00 1.06 O ATOM 412 CB ASN A 26 16.838 -7.470 -6.066 1.00 1.31 C ATOM 413 CG ASN A 26 17.857 -7.207 -7.147 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.124 -6.061 -7.496 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.431 -8.274 -7.682 1.00 1.33 N ATOM 0 H ASN A 26 18.417 -9.377 -5.186 1.00 1.21 H new ATOM 0 HA ASN A 26 17.844 -6.611 -4.356 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.303 -8.392 -6.294 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.102 -6.666 -6.064 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.128 -8.163 -8.418 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.176 -9.207 -7.358 1.00 1.33 H new ATOM 422 N LEU A 27 15.414 -7.198 -3.482 1.00 0.95 N ATOM 423 CA LEU A 27 14.244 -7.543 -2.715 1.00 0.82 C ATOM 424 C LEU A 27 13.028 -7.273 -3.561 1.00 0.71 C ATOM 425 O LEU A 27 12.853 -6.167 -4.074 1.00 0.81 O ATOM 426 CB LEU A 27 14.158 -6.731 -1.419 1.00 0.93 C ATOM 427 CG LEU A 27 14.732 -7.410 -0.180 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.223 -7.664 -0.331 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.450 -6.569 1.055 1.00 1.62 C ATOM 0 H LEU A 27 15.410 -6.241 -3.834 1.00 0.95 H new ATOM 0 HA LEU A 27 14.301 -8.596 -2.440 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.679 -5.785 -1.568 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.112 -6.492 -1.229 1.00 0.93 H new ATOM 0 HG LEU A 27 14.244 -8.378 -0.064 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.602 -8.149 0.568 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.397 -8.309 -1.192 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.741 -6.716 -0.478 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.864 -7.063 1.934 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.910 -5.588 0.940 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.373 -6.453 1.178 1.00 1.62 H new ATOM 441 N ILE A 28 12.196 -8.274 -3.720 1.00 0.57 N ATOM 442 CA ILE A 28 11.011 -8.134 -4.525 1.00 0.52 C ATOM 443 C ILE A 28 9.826 -7.832 -3.625 1.00 0.44 C ATOM 444 O ILE A 28 9.474 -8.623 -2.741 1.00 0.43 O ATOM 445 CB ILE A 28 10.733 -9.406 -5.367 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.922 -9.713 -6.291 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.452 -9.266 -6.176 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.303 -8.565 -7.205 1.00 0.80 C ATOM 0 H ILE A 28 12.320 -9.196 -3.301 1.00 0.57 H new ATOM 0 HA ILE A 28 11.167 -7.311 -5.222 1.00 0.52 H new ATOM 0 HB ILE A 28 10.603 -10.240 -4.677 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.785 -9.980 -5.680 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.681 -10.584 -6.900 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.286 -10.175 -6.755 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.611 -9.107 -5.501 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.540 -8.416 -6.852 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.150 -8.859 -7.825 1.00 0.80 H new ATOM 0 HD12 ILE A 28 11.456 -8.312 -7.843 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.577 -7.698 -6.605 1.00 0.80 H new ATOM 460 N LEU A 29 9.269 -6.647 -3.823 1.00 0.51 N ATOM 461 CA LEU A 29 8.122 -6.181 -3.064 1.00 0.55 C ATOM 462 C LEU A 29 6.841 -6.811 -3.585 1.00 0.73 C ATOM 463 O LEU A 29 5.914 -7.083 -2.822 1.00 1.74 O ATOM 464 CB LEU A 29 8.046 -4.640 -3.067 1.00 0.71 C ATOM 465 CG LEU A 29 7.876 -3.925 -4.422 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.556 -2.462 -4.185 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.125 -4.025 -5.288 1.00 1.33 C ATOM 0 H LEU A 29 9.603 -5.979 -4.518 1.00 0.51 H new ATOM 0 HA LEU A 29 8.244 -6.496 -2.028 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.214 -4.346 -2.428 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.955 -4.260 -2.601 1.00 0.71 H new ATOM 0 HG LEU A 29 7.061 -4.419 -4.951 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.436 -1.956 -5.143 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.632 -2.380 -3.613 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.370 -1.997 -3.629 1.00 1.28 H new ATOM 0 HD21 LEU A 29 8.956 -3.506 -6.232 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.966 -3.567 -4.768 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.348 -5.074 -5.485 1.00 1.33 H new ATOM 479 N GLY A 30 6.800 -7.067 -4.882 1.00 0.40 N ATOM 480 CA GLY A 30 5.682 -7.782 -5.453 1.00 0.32 C ATOM 481 C GLY A 30 4.493 -6.891 -5.738 1.00 0.35 C ATOM 482 O GLY A 30 3.378 -7.376 -5.885 1.00 0.69 O ATOM 0 H GLY A 30 7.521 -6.792 -5.549 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.999 -8.262 -6.379 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.379 -8.576 -4.770 1.00 0.32 H new ATOM 486 N PHE A 31 4.720 -5.592 -5.774 1.00 0.29 N ATOM 487 CA PHE A 31 3.694 -4.645 -6.182 1.00 0.28 C ATOM 488 C PHE A 31 4.325 -3.374 -6.739 1.00 0.31 C ATOM 489 O PHE A 31 5.504 -3.116 -6.513 1.00 0.42 O ATOM 490 CB PHE A 31 2.767 -4.314 -5.005 1.00 0.28 C ATOM 491 CG PHE A 31 3.465 -3.773 -3.781 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.690 -2.413 -3.634 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.875 -4.623 -2.766 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.307 -1.917 -2.506 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.497 -4.131 -1.636 1.00 0.42 C ATOM 496 CZ PHE A 31 4.711 -2.777 -1.506 1.00 0.51 C ATOM 0 H PHE A 31 5.611 -5.164 -5.524 1.00 0.29 H new ATOM 0 HA PHE A 31 3.099 -5.106 -6.970 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.028 -3.584 -5.337 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.221 -5.215 -4.726 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.378 -1.734 -4.413 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.705 -5.685 -2.860 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.474 -0.855 -2.405 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.815 -4.807 -0.856 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.195 -2.389 -0.622 1.00 0.51 H new ATOM 506 N SER A 32 3.550 -2.595 -7.485 1.00 0.25 N ATOM 507 CA SER A 32 4.020 -1.298 -7.944 1.00 0.23 C ATOM 508 C SER A 32 3.317 -0.227 -7.137 1.00 0.23 C ATOM 509 O SER A 32 2.254 -0.479 -6.584 1.00 0.29 O ATOM 510 CB SER A 32 3.762 -1.110 -9.435 1.00 0.25 C ATOM 511 OG SER A 32 4.437 0.026 -9.948 1.00 0.53 O ATOM 0 H SER A 32 2.604 -2.837 -7.781 1.00 0.25 H new ATOM 0 HA SER A 32 5.098 -1.229 -7.798 1.00 0.23 H new ATOM 0 HB2 SER A 32 4.086 -2.000 -9.975 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.691 -1.005 -9.608 1.00 0.25 H new ATOM 0 HG SER A 32 4.249 0.113 -10.906 1.00 0.53 H new ATOM 517 N ILE A 33 3.882 0.960 -7.077 1.00 0.23 N ATOM 518 CA ILE A 33 3.467 1.924 -6.071 1.00 0.25 C ATOM 519 C ILE A 33 3.855 3.345 -6.433 1.00 0.25 C ATOM 520 O ILE A 33 4.955 3.590 -6.924 1.00 0.32 O ATOM 521 CB ILE A 33 4.141 1.566 -4.724 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.157 2.770 -3.766 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.550 1.058 -4.988 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.226 2.698 -2.694 1.00 0.37 C ATOM 0 H ILE A 33 4.621 1.281 -7.703 1.00 0.23 H new ATOM 0 HA ILE A 33 2.380 1.877 -6.004 1.00 0.25 H new ATOM 0 HB ILE A 33 3.562 0.781 -4.238 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.302 3.680 -4.347 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.182 2.851 -3.286 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.029 0.805 -4.042 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.505 0.172 -5.621 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.128 1.833 -5.491 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.168 3.584 -2.062 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.071 1.808 -2.085 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.209 2.650 -3.163 1.00 0.37 H new ATOM 536 N GLY A 34 2.952 4.277 -6.185 1.00 0.26 N ATOM 537 CA GLY A 34 3.368 5.640 -6.003 1.00 0.43 C ATOM 538 C GLY A 34 2.596 6.275 -4.880 1.00 0.30 C ATOM 539 O GLY A 34 1.374 6.320 -4.890 1.00 0.72 O ATOM 0 H GLY A 34 1.948 4.113 -6.108 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.435 5.676 -5.785 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.211 6.201 -6.924 1.00 0.43 H new ATOM 543 N GLY A 35 3.312 6.676 -3.868 1.00 0.77 N ATOM 544 CA GLY A 35 2.734 7.479 -2.824 1.00 0.93 C ATOM 545 C GLY A 35 3.671 8.547 -2.368 1.00 0.73 C ATOM 546 O GLY A 35 4.746 8.225 -1.896 1.00 1.42 O ATOM 0 H GLY A 35 4.301 6.460 -3.742 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.811 7.934 -3.183 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.469 6.843 -1.980 1.00 0.93 H new ATOM 550 N GLY A 36 3.335 9.793 -2.521 1.00 0.40 N ATOM 551 CA GLY A 36 4.194 10.807 -1.964 1.00 0.39 C ATOM 552 C GLY A 36 3.542 12.167 -1.937 1.00 0.35 C ATOM 553 O GLY A 36 2.804 12.510 -2.860 1.00 0.48 O ATOM 0 H GLY A 36 2.504 10.129 -3.008 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.476 10.523 -0.950 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.113 10.860 -2.547 1.00 0.39 H new ATOM 557 N ILE A 37 3.803 12.952 -0.899 1.00 0.37 N ATOM 558 CA ILE A 37 3.734 14.396 -1.049 1.00 0.41 C ATOM 559 C ILE A 37 4.772 14.805 -2.072 1.00 0.38 C ATOM 560 O ILE A 37 4.700 15.866 -2.686 1.00 0.46 O ATOM 561 CB ILE A 37 4.012 15.131 0.262 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.270 14.561 0.917 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.804 15.040 1.179 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.610 15.215 2.235 1.00 0.49 C ATOM 0 H ILE A 37 4.058 12.623 0.032 1.00 0.37 H new ATOM 0 HA ILE A 37 2.725 14.663 -1.363 1.00 0.41 H new ATOM 0 HB ILE A 37 4.190 16.187 0.060 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.135 13.491 1.075 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.111 14.679 0.234 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.013 15.567 2.110 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.942 15.494 0.691 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.589 13.993 1.395 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.513 14.762 2.644 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.777 16.281 2.080 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.786 15.075 2.934 1.00 0.49 H new ATOM 576 N ASP A 38 5.748 13.922 -2.215 1.00 0.35 N ATOM 577 CA ASP A 38 6.741 14.011 -3.256 1.00 0.40 C ATOM 578 C ASP A 38 6.069 14.053 -4.630 1.00 0.56 C ATOM 579 O ASP A 38 6.381 14.899 -5.471 1.00 0.69 O ATOM 580 CB ASP A 38 7.663 12.803 -3.193 1.00 0.39 C ATOM 581 CG ASP A 38 8.352 12.509 -4.502 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.297 13.239 -4.853 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.936 11.546 -5.173 1.00 0.72 O ATOM 0 H ASP A 38 5.868 13.117 -1.601 1.00 0.35 H new ATOM 0 HA ASP A 38 7.317 14.925 -3.108 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.417 12.970 -2.423 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.086 11.929 -2.890 1.00 0.39 H new ATOM 588 N GLN A 39 5.123 13.127 -4.822 1.00 0.63 N ATOM 589 CA GLN A 39 4.460 12.927 -6.108 1.00 0.85 C ATOM 590 C GLN A 39 3.723 14.187 -6.552 1.00 0.93 C ATOM 591 O GLN A 39 3.925 14.678 -7.663 1.00 1.19 O ATOM 592 CB GLN A 39 3.463 11.760 -6.020 1.00 0.98 C ATOM 593 CG GLN A 39 4.083 10.426 -5.630 1.00 1.00 C ATOM 594 CD GLN A 39 4.985 9.851 -6.706 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.538 9.074 -7.542 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.257 10.225 -6.701 1.00 0.82 N ATOM 0 H GLN A 39 4.798 12.497 -4.088 1.00 0.63 H new ATOM 0 HA GLN A 39 5.231 12.695 -6.843 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.691 12.013 -5.294 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.969 11.648 -6.985 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.658 10.554 -4.713 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.288 9.713 -5.411 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.595 10.874 -5.990 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.897 9.864 -7.408 1.00 0.82 H new ATOM 815 N GLY A 54 -1.269 10.511 -0.014 1.00 0.78 N ATOM 816 CA GLY A 54 -0.426 9.739 0.871 1.00 0.65 C ATOM 817 C GLY A 54 0.516 8.857 0.097 1.00 0.53 C ATOM 818 O GLY A 54 1.068 9.281 -0.932 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.145 10.411 1.511 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.046 9.126 1.525 1.00 0.65 H new ATOM 822 N ILE A 55 0.716 7.638 0.572 1.00 0.48 N ATOM 823 CA ILE A 55 1.436 6.663 -0.203 1.00 0.40 C ATOM 824 C ILE A 55 0.431 5.617 -0.625 1.00 0.33 C ATOM 825 O ILE A 55 -0.429 5.290 0.156 1.00 0.43 O ATOM 826 CB ILE A 55 2.625 6.048 0.587 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.847 6.975 0.532 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.001 4.684 0.027 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.702 8.309 1.239 1.00 0.54 C ATOM 0 H ILE A 55 0.391 7.311 1.482 1.00 0.48 H new ATOM 0 HA ILE A 55 1.892 7.130 -1.076 1.00 0.40 H new ATOM 0 HB ILE A 55 2.309 5.931 1.623 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.698 6.448 0.964 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.087 7.165 -0.514 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.835 4.274 0.596 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.146 4.012 0.101 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.291 4.787 -1.019 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.625 8.879 1.134 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.878 8.868 0.795 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.498 8.140 2.296 1.00 0.54 H new ATOM 841 N TYR A 56 0.457 5.144 -1.864 1.00 0.25 N ATOM 842 CA TYR A 56 -0.560 4.204 -2.283 1.00 0.23 C ATOM 843 C TYR A 56 -0.047 3.294 -3.375 1.00 0.18 C ATOM 844 O TYR A 56 0.801 3.669 -4.183 1.00 0.28 O ATOM 845 CB TYR A 56 -1.870 4.917 -2.682 1.00 0.36 C ATOM 846 CG TYR A 56 -1.719 6.101 -3.604 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.879 7.149 -3.274 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.400 6.158 -4.808 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.727 8.232 -4.121 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.259 7.229 -5.662 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.463 8.294 -5.290 1.00 1.01 C ATOM 852 OH TYR A 56 -1.268 9.345 -6.162 1.00 1.42 O ATOM 0 H TYR A 56 1.149 5.389 -2.572 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.800 3.573 -1.427 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.526 4.190 -3.160 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.372 5.250 -1.773 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.334 7.121 -2.342 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.056 5.345 -5.083 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.037 9.025 -3.871 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.767 7.236 -6.615 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.860 9.242 -6.936 1.00 1.42 H new ATOM 862 N VAL A 57 -0.543 2.078 -3.355 1.00 0.18 N ATOM 863 CA VAL A 57 -0.052 1.048 -4.228 1.00 0.17 C ATOM 864 C VAL A 57 -0.786 1.096 -5.552 1.00 0.16 C ATOM 865 O VAL A 57 -1.993 1.339 -5.592 1.00 0.22 O ATOM 866 CB VAL A 57 -0.168 -0.339 -3.561 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.601 -0.807 -3.424 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.656 -1.369 -4.296 1.00 0.58 C ATOM 0 H VAL A 57 -1.295 1.780 -2.734 1.00 0.18 H new ATOM 0 HA VAL A 57 1.006 1.224 -4.422 1.00 0.17 H new ATOM 0 HB VAL A 57 0.229 -0.226 -2.552 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.620 -1.788 -2.948 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.159 -0.097 -2.813 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.058 -0.874 -4.411 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.554 -2.336 -3.803 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.306 -1.448 -5.325 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.704 -1.068 -4.291 1.00 0.58 H new ATOM 878 N THR A 58 -0.031 0.896 -6.623 1.00 0.17 N ATOM 879 CA THR A 58 -0.540 1.031 -7.975 1.00 0.24 C ATOM 880 C THR A 58 -0.617 -0.332 -8.675 1.00 0.38 C ATOM 881 O THR A 58 -1.239 -0.475 -9.721 1.00 1.11 O ATOM 882 CB THR A 58 0.360 1.986 -8.787 1.00 0.39 C ATOM 883 OG1 THR A 58 0.545 3.215 -8.067 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.245 2.276 -10.152 1.00 0.69 C ATOM 0 H THR A 58 0.954 0.635 -6.576 1.00 0.17 H new ATOM 0 HA THR A 58 -1.547 1.444 -7.917 1.00 0.24 H new ATOM 0 HB THR A 58 1.325 1.502 -8.934 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.118 3.816 -8.587 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.409 2.951 -10.704 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.355 1.344 -10.706 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.223 2.741 -10.025 1.00 0.69 H new ATOM 892 N ARG A 59 0.032 -1.335 -8.104 1.00 0.31 N ATOM 893 CA ARG A 59 -0.067 -2.692 -8.638 1.00 0.26 C ATOM 894 C ARG A 59 0.005 -3.764 -7.566 1.00 0.26 C ATOM 895 O ARG A 59 -0.189 -3.503 -6.375 1.00 0.27 O ATOM 896 CB ARG A 59 1.040 -2.982 -9.649 1.00 0.26 C ATOM 897 CG ARG A 59 0.769 -2.463 -11.038 1.00 0.34 C ATOM 898 CD ARG A 59 1.771 -3.037 -12.027 1.00 0.45 C ATOM 899 NE ARG A 59 1.456 -2.704 -13.413 1.00 1.06 N ATOM 900 CZ ARG A 59 1.423 -3.599 -14.403 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.709 -4.877 -14.159 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.126 -3.210 -15.638 1.00 2.27 N ATOM 0 H ARG A 59 0.627 -1.242 -7.281 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.046 -2.730 -9.115 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.970 -2.544 -9.286 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.194 -4.060 -9.701 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.243 -2.730 -11.341 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.827 -1.375 -11.043 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.766 -2.664 -11.786 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.802 -4.121 -11.917 1.00 0.45 H new ATOM 0 HE ARG A 59 1.249 -1.731 -13.638 1.00 1.06 H new ATOM 0 HH11 ARG A 59 1.954 -5.173 -13.214 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.683 -5.559 -14.917 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.924 -2.229 -15.829 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.100 -3.893 -16.395 1.00 2.27 H new ATOM 916 N VAL A 60 0.180 -4.983 -8.077 1.00 0.26 N ATOM 917 CA VAL A 60 0.651 -6.159 -7.348 1.00 0.27 C ATOM 918 C VAL A 60 1.129 -7.160 -8.403 1.00 0.36 C ATOM 919 O VAL A 60 0.609 -7.165 -9.518 1.00 0.51 O ATOM 920 CB VAL A 60 -0.411 -6.876 -6.461 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.229 -8.071 -5.777 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.015 -5.969 -5.407 1.00 0.75 C ATOM 0 H VAL A 60 -0.012 -5.186 -9.058 1.00 0.26 H new ATOM 0 HA VAL A 60 1.422 -5.814 -6.658 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.219 -7.187 -7.123 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.512 -8.574 -5.156 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.602 -8.765 -6.530 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.056 -7.733 -5.153 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.747 -6.527 -4.823 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.228 -5.602 -4.748 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.505 -5.125 -5.891 1.00 0.75 H new ATOM 932 N SER A 61 2.123 -7.971 -8.085 1.00 0.45 N ATOM 933 CA SER A 61 2.559 -9.017 -8.991 1.00 0.56 C ATOM 934 C SER A 61 1.831 -10.309 -8.703 1.00 0.56 C ATOM 935 O SER A 61 1.655 -10.695 -7.547 1.00 0.64 O ATOM 936 CB SER A 61 4.057 -9.251 -8.873 1.00 0.72 C ATOM 937 OG SER A 61 4.425 -9.505 -7.530 1.00 1.65 O ATOM 0 H SER A 61 2.642 -7.925 -7.208 1.00 0.45 H new ATOM 0 HA SER A 61 2.329 -8.690 -10.005 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.348 -10.094 -9.499 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.596 -8.379 -9.243 1.00 0.72 H new ATOM 0 HG SER A 61 5.315 -9.914 -7.507 1.00 1.65 H new ATOM 943 N GLU A 62 1.428 -10.960 -9.765 1.00 0.68 N ATOM 944 CA GLU A 62 0.782 -12.252 -9.702 1.00 0.73 C ATOM 945 C GLU A 62 1.703 -13.301 -9.118 1.00 0.74 C ATOM 946 O GLU A 62 2.684 -13.701 -9.746 1.00 0.84 O ATOM 947 CB GLU A 62 0.392 -12.637 -11.104 1.00 0.86 C ATOM 948 CG GLU A 62 -0.876 -11.953 -11.564 1.00 1.45 C ATOM 949 CD GLU A 62 -1.084 -12.056 -13.059 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.645 -13.071 -13.520 1.00 1.75 O ATOM 951 OE2 GLU A 62 -0.704 -11.111 -13.781 1.00 1.85 O ATOM 0 H GLU A 62 1.540 -10.604 -10.714 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.093 -12.191 -9.055 1.00 0.73 H new ATOM 0 HB2 GLU A 62 1.204 -12.384 -11.785 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.257 -13.717 -11.156 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.730 -12.396 -11.051 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.842 -10.902 -11.277 1.00 1.45 H new ATOM 958 N GLY A 63 1.395 -13.724 -7.913 1.00 0.76 N ATOM 959 CA GLY A 63 2.171 -14.758 -7.282 1.00 0.86 C ATOM 960 C GLY A 63 3.223 -14.189 -6.358 1.00 0.80 C ATOM 961 O GLY A 63 3.845 -14.919 -5.585 1.00 0.92 O ATOM 0 H GLY A 63 0.618 -13.369 -7.356 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.509 -15.415 -6.718 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.651 -15.369 -8.046 1.00 0.86 H new ATOM 965 N GLY A 64 3.423 -12.877 -6.438 1.00 0.67 N ATOM 966 CA GLY A 64 4.376 -12.224 -5.580 1.00 0.66 C ATOM 967 C GLY A 64 3.849 -12.078 -4.182 1.00 0.63 C ATOM 968 O GLY A 64 2.671 -12.306 -3.926 1.00 0.99 O ATOM 0 H GLY A 64 2.936 -12.258 -7.087 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.303 -12.797 -5.562 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.616 -11.241 -5.984 1.00 0.66 H new ATOM 972 N PRO A 65 4.693 -11.616 -3.278 1.00 0.37 N ATOM 973 CA PRO A 65 4.436 -11.690 -1.848 1.00 0.27 C ATOM 974 C PRO A 65 3.366 -10.733 -1.385 1.00 0.23 C ATOM 975 O PRO A 65 2.695 -10.953 -0.376 1.00 0.29 O ATOM 976 CB PRO A 65 5.789 -11.355 -1.255 1.00 0.32 C ATOM 977 CG PRO A 65 6.444 -10.467 -2.255 1.00 0.43 C ATOM 978 CD PRO A 65 5.966 -10.944 -3.593 1.00 0.44 C ATOM 0 HA PRO A 65 4.049 -12.662 -1.543 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.684 -10.854 -0.293 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.378 -12.256 -1.083 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.172 -9.424 -2.091 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.530 -10.529 -2.182 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.823 -10.116 -4.288 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.678 -11.628 -4.054 1.00 0.44 H new ATOM 986 N ALA A 66 3.202 -9.691 -2.146 1.00 0.22 N ATOM 987 CA ALA A 66 2.180 -8.712 -1.894 1.00 0.24 C ATOM 988 C ALA A 66 0.787 -9.318 -2.031 1.00 0.29 C ATOM 989 O ALA A 66 -0.145 -8.918 -1.341 1.00 0.36 O ATOM 990 CB ALA A 66 2.364 -7.585 -2.864 1.00 0.27 C ATOM 0 H ALA A 66 3.776 -9.493 -2.965 1.00 0.22 H new ATOM 0 HA ALA A 66 2.269 -8.346 -0.871 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.599 -6.828 -2.692 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.350 -7.142 -2.724 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.277 -7.964 -3.882 1.00 0.27 H new ATOM 996 N GLU A 67 0.654 -10.304 -2.912 1.00 0.30 N ATOM 997 CA GLU A 67 -0.628 -10.954 -3.128 1.00 0.42 C ATOM 998 C GLU A 67 -0.927 -11.868 -1.956 1.00 0.39 C ATOM 999 O GLU A 67 -2.071 -11.993 -1.511 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.613 -11.750 -4.431 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.862 -12.583 -4.638 1.00 0.77 C ATOM 1002 CD GLU A 67 -1.831 -13.371 -5.925 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.889 -14.166 -6.124 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -2.764 -13.213 -6.735 1.00 1.79 O ATOM 0 H GLU A 67 1.416 -10.667 -3.484 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.407 -10.195 -3.205 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.501 -11.061 -5.268 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.258 -12.405 -4.439 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.979 -13.269 -3.799 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.734 -11.929 -4.638 1.00 0.77 H new ATOM 1011 N ILE A 68 0.130 -12.482 -1.451 1.00 0.31 N ATOM 1012 CA ILE A 68 0.038 -13.390 -0.315 1.00 0.31 C ATOM 1013 C ILE A 68 -0.408 -12.627 0.933 1.00 0.28 C ATOM 1014 O ILE A 68 -1.254 -13.098 1.695 1.00 0.34 O ATOM 1015 CB ILE A 68 1.393 -14.104 -0.062 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.667 -15.177 -1.125 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.421 -14.737 1.319 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.579 -14.687 -2.546 1.00 0.51 C ATOM 0 H ILE A 68 1.076 -12.367 -1.815 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.705 -14.154 -0.545 1.00 0.31 H new ATOM 0 HB ILE A 68 2.174 -13.346 -0.124 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.662 -15.590 -0.958 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.956 -15.993 -0.991 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.380 -15.231 1.473 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.285 -13.965 2.076 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.618 -15.470 1.400 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.787 -15.511 -3.229 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.577 -14.302 -2.737 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.309 -13.893 -2.703 1.00 0.51 H new ATOM 1030 N ALA A 69 0.155 -11.439 1.127 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.248 -10.574 2.232 1.00 0.24 C ATOM 1032 C ALA A 69 -1.619 -9.965 1.962 1.00 0.31 C ATOM 1033 O ALA A 69 -2.337 -9.586 2.888 1.00 0.41 O ATOM 1034 CB ALA A 69 0.776 -9.475 2.457 1.00 0.24 C ATOM 0 H ALA A 69 0.890 -11.053 0.535 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.306 -11.183 3.134 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.455 -8.843 3.285 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.742 -9.921 2.694 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.867 -8.872 1.554 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.977 -9.872 0.685 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.291 -9.369 0.322 1.00 0.41 C ATOM 1042 C GLY A 70 -3.303 -7.892 -0.035 1.00 0.36 C ATOM 1043 O GLY A 70 -4.010 -7.108 0.589 1.00 0.45 O ATOM 0 H GLY A 70 -1.384 -10.135 -0.102 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.668 -9.942 -0.525 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.977 -9.539 1.152 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.518 -7.515 -1.033 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.524 -6.144 -1.536 1.00 0.30 C ATOM 1049 C LEU A 71 -3.311 -6.101 -2.843 1.00 0.24 C ATOM 1050 O LEU A 71 -3.421 -7.121 -3.526 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.090 -5.653 -1.728 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.925 -4.146 -1.895 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.628 -3.405 -0.768 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.550 -3.797 -1.915 1.00 0.87 C ATOM 0 H LEU A 71 -1.868 -8.137 -1.513 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.005 -5.480 -0.818 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.498 -5.972 -0.870 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.671 -6.146 -2.605 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.379 -3.841 -2.838 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.500 -2.331 -0.903 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.690 -3.648 -0.780 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.198 -3.704 0.188 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.667 -2.720 -2.034 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.011 -4.111 -0.978 1.00 0.87 H new ATOM 0 HD23 LEU A 71 1.034 -4.309 -2.747 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.881 -4.947 -3.193 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.875 -4.914 -4.262 1.00 0.33 C ATOM 1068 C GLN A 72 -4.637 -3.871 -5.353 1.00 0.25 C ATOM 1069 O GLN A 72 -5.609 -3.347 -5.902 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.226 -4.671 -3.651 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.574 -5.699 -2.603 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.610 -5.202 -1.630 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -8.445 -5.969 -1.144 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -7.530 -3.925 -1.296 1.00 0.64 N ATOM 0 H GLN A 72 -3.677 -4.045 -2.763 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.801 -5.880 -4.761 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.246 -3.678 -3.203 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.984 -4.683 -4.434 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.942 -6.601 -3.092 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.672 -5.977 -2.058 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -6.822 -3.329 -1.725 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.176 -3.536 -0.609 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.384 -3.578 -5.698 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.103 -2.833 -6.922 1.00 0.26 C ATOM 1085 C ILE A 73 -3.561 -1.352 -6.859 1.00 0.23 C ATOM 1086 O ILE A 73 -3.327 -0.590 -7.793 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.781 -3.573 -8.116 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.316 -5.036 -8.146 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.472 -2.912 -9.445 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.984 -5.883 -9.206 1.00 0.77 C ATOM 0 H ILE A 73 -2.560 -3.840 -5.157 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.022 -2.798 -7.055 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.860 -3.524 -7.966 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.238 -5.059 -8.306 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.502 -5.484 -7.170 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.965 -3.461 -10.248 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.834 -1.884 -9.433 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.395 -2.915 -9.611 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.597 -6.901 -9.156 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.061 -5.896 -9.036 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.777 -5.464 -10.191 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.135 -0.922 -5.739 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.777 0.388 -5.705 1.00 0.25 C ATOM 1104 C GLY A 74 -5.253 0.775 -4.322 1.00 0.29 C ATOM 1105 O GLY A 74 -6.428 1.089 -4.120 1.00 0.37 O ATOM 0 H GLY A 74 -4.169 -1.445 -4.864 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.076 1.140 -6.066 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.625 0.389 -6.389 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.333 0.761 -3.377 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.664 0.965 -1.965 1.00 0.34 C ATOM 1111 C ASP A 75 -3.897 2.139 -1.376 1.00 0.30 C ATOM 1112 O ASP A 75 -2.718 2.317 -1.668 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.357 -0.286 -1.152 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.235 -1.454 -1.526 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.433 -1.429 -1.177 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.726 -2.394 -2.168 1.00 0.89 O ATOM 0 H ASP A 75 -3.340 0.610 -3.556 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.731 1.181 -1.916 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.312 -0.561 -1.297 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.484 -0.066 -0.092 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.551 2.901 -0.506 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.926 4.044 0.152 1.00 0.28 C ATOM 1123 C LYS A 76 -3.123 3.602 1.376 1.00 0.28 C ATOM 1124 O LYS A 76 -3.679 3.328 2.426 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.986 5.065 0.578 1.00 0.34 C ATOM 1126 CG LYS A 76 -4.878 6.408 -0.131 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.271 6.307 -1.598 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.082 7.631 -2.328 1.00 1.55 C ATOM 1129 NZ LYS A 76 -5.960 8.709 -1.788 1.00 2.20 N ATOM 0 H LYS A 76 -5.523 2.746 -0.238 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.247 4.507 -0.564 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.974 4.646 0.390 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.907 5.227 1.653 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.519 7.135 0.368 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -3.856 6.779 -0.053 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.671 5.536 -2.082 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.313 5.996 -1.674 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -4.040 7.941 -2.248 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.293 7.491 -3.388 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -5.883 9.554 -2.390 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.947 8.380 -1.777 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -5.664 8.946 -0.820 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.821 3.554 1.221 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.899 3.130 2.267 1.00 0.27 C ATOM 1145 C ILE A 77 -0.698 4.219 3.312 1.00 0.25 C ATOM 1146 O ILE A 77 -0.338 5.375 2.984 1.00 0.29 O ATOM 1147 CB ILE A 77 0.464 2.784 1.664 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.307 1.684 0.622 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.472 2.387 2.743 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.182 1.897 -0.583 1.00 0.49 C ATOM 0 H ILE A 77 -1.356 3.812 0.350 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.337 2.254 2.745 1.00 0.27 H new ATOM 0 HB ILE A 77 0.858 3.674 1.174 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.548 0.723 1.075 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.735 1.635 0.305 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.428 2.148 2.277 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.604 3.215 3.440 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.103 1.515 3.282 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.029 1.083 -1.292 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.925 2.844 -1.057 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.227 1.918 -0.275 1.00 0.49 H new ATOM 1162 N MET A 78 -0.934 3.826 4.562 1.00 0.22 N ATOM 1163 CA MET A 78 -0.777 4.701 5.707 1.00 0.24 C ATOM 1164 C MET A 78 0.626 4.630 6.292 1.00 0.24 C ATOM 1165 O MET A 78 1.107 5.584 6.896 1.00 0.30 O ATOM 1166 CB MET A 78 -1.778 4.320 6.802 1.00 0.33 C ATOM 1167 CG MET A 78 -3.228 4.261 6.346 1.00 0.32 C ATOM 1168 SD MET A 78 -3.901 5.885 5.930 1.00 0.75 S ATOM 1169 CE MET A 78 -3.125 6.165 4.344 1.00 1.06 C ATOM 0 H MET A 78 -1.241 2.884 4.804 1.00 0.22 H new ATOM 0 HA MET A 78 -0.958 5.717 5.357 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.499 3.347 7.208 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.697 5.040 7.616 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.304 3.608 5.476 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.833 3.813 7.134 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.790 6.755 3.713 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.188 6.703 4.487 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.923 5.208 3.863 1.00 1.06 H new ATOM 1179 N GLN A 79 1.276 3.492 6.124 1.00 0.23 N ATOM 1180 CA GLN A 79 2.541 3.246 6.792 1.00 0.23 C ATOM 1181 C GLN A 79 3.333 2.148 6.097 1.00 0.24 C ATOM 1182 O GLN A 79 2.760 1.245 5.489 1.00 0.24 O ATOM 1183 CB GLN A 79 2.282 2.886 8.263 1.00 0.26 C ATOM 1184 CG GLN A 79 3.183 1.795 8.809 1.00 0.54 C ATOM 1185 CD GLN A 79 3.040 1.629 10.300 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.255 0.812 10.775 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.778 2.430 11.048 1.00 0.43 N ATOM 0 H GLN A 79 0.950 2.727 5.533 1.00 0.23 H new ATOM 0 HA GLN A 79 3.141 4.155 6.745 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.407 3.782 8.871 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.244 2.571 8.370 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.947 0.852 8.316 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.220 2.029 8.569 1.00 0.54 H new ATOM 0 HE21 GLN A 79 4.417 3.093 10.609 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.709 2.385 12.065 1.00 0.43 H new ATOM 1196 N VAL A 80 4.651 2.237 6.193 1.00 0.28 N ATOM 1197 CA VAL A 80 5.519 1.198 5.671 1.00 0.35 C ATOM 1198 C VAL A 80 6.639 0.899 6.652 1.00 0.31 C ATOM 1199 O VAL A 80 7.329 1.801 7.128 1.00 0.31 O ATOM 1200 CB VAL A 80 6.126 1.548 4.286 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.099 2.721 4.371 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.810 0.330 3.681 1.00 1.31 C ATOM 0 H VAL A 80 5.141 3.019 6.628 1.00 0.28 H new ATOM 0 HA VAL A 80 4.891 0.317 5.537 1.00 0.35 H new ATOM 0 HB VAL A 80 5.305 1.851 3.636 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.501 2.933 3.380 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.576 3.601 4.746 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.916 2.468 5.047 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.230 0.593 2.710 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.608 -0.005 4.343 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.082 -0.472 3.556 1.00 1.31 H new ATOM 1212 N ASN A 81 6.764 -0.371 6.991 1.00 0.34 N ATOM 1213 CA ASN A 81 7.893 -0.878 7.761 1.00 0.38 C ATOM 1214 C ASN A 81 8.033 -0.173 9.115 1.00 0.34 C ATOM 1215 O ASN A 81 9.107 -0.170 9.711 1.00 0.40 O ATOM 1216 CB ASN A 81 9.170 -0.718 6.932 1.00 0.46 C ATOM 1217 CG ASN A 81 10.264 -1.681 7.338 1.00 0.70 C ATOM 1218 OD1 ASN A 81 11.121 -1.358 8.159 1.00 1.50 O ATOM 1219 ND2 ASN A 81 10.243 -2.874 6.763 1.00 1.18 N ATOM 0 H ASN A 81 6.082 -1.087 6.740 1.00 0.34 H new ATOM 0 HA ASN A 81 7.719 -1.932 7.977 1.00 0.38 H new ATOM 0 HB2 ASN A 81 8.934 -0.869 5.879 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.537 0.303 7.034 1.00 0.46 H new ATOM 0 HD21 ASN A 81 10.956 -3.565 6.996 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.514 -3.101 6.087 1.00 1.18 H new ATOM 1226 N GLY A 82 6.945 0.405 9.614 1.00 0.32 N ATOM 1227 CA GLY A 82 7.007 1.056 10.910 1.00 0.34 C ATOM 1228 C GLY A 82 7.051 2.571 10.820 1.00 0.31 C ATOM 1229 O GLY A 82 6.998 3.253 11.844 1.00 0.38 O ATOM 0 H GLY A 82 6.035 0.435 9.153 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.140 0.759 11.500 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.890 0.705 11.443 1.00 0.34 H new ATOM 1233 N TRP A 83 7.142 3.102 9.607 1.00 0.28 N ATOM 1234 CA TRP A 83 7.086 4.546 9.411 1.00 0.28 C ATOM 1235 C TRP A 83 5.667 4.960 9.139 1.00 0.29 C ATOM 1236 O TRP A 83 4.864 4.161 8.683 1.00 0.48 O ATOM 1237 CB TRP A 83 7.968 5.006 8.252 1.00 0.30 C ATOM 1238 CG TRP A 83 9.421 4.873 8.511 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.125 3.720 8.525 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.351 5.923 8.791 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.443 3.979 8.764 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.612 5.320 8.938 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.250 7.310 8.914 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.762 6.048 9.217 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.395 8.036 9.193 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.638 7.400 9.335 1.00 0.76 C ATOM 0 H TRP A 83 7.254 2.560 8.750 1.00 0.28 H new ATOM 0 HA TRP A 83 7.458 5.014 10.323 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.713 4.428 7.364 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.743 6.049 8.029 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.706 2.737 8.370 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.184 3.280 8.806 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.298 7.806 8.794 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.718 5.561 9.336 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.331 9.108 9.303 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.515 7.995 9.542 1.00 0.76 H new ATOM 1257 N ASP A 84 5.371 6.207 9.403 1.00 0.39 N ATOM 1258 CA ASP A 84 4.016 6.708 9.269 1.00 0.41 C ATOM 1259 C ASP A 84 3.921 7.698 8.120 1.00 0.40 C ATOM 1260 O ASP A 84 4.316 8.862 8.250 1.00 0.59 O ATOM 1261 CB ASP A 84 3.595 7.359 10.577 1.00 0.62 C ATOM 1262 CG ASP A 84 2.142 7.791 10.580 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.275 6.960 10.923 1.00 1.89 O ATOM 1264 OD2 ASP A 84 1.863 8.952 10.217 1.00 1.28 O ATOM 0 H ASP A 84 6.050 6.902 9.714 1.00 0.39 H new ATOM 0 HA ASP A 84 3.344 5.879 9.047 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.762 6.659 11.396 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.227 8.227 10.765 1.00 0.62 H new ATOM 1269 N MET A 85 3.448 7.225 6.977 1.00 0.36 N ATOM 1270 CA MET A 85 3.341 8.072 5.803 1.00 0.46 C ATOM 1271 C MET A 85 1.897 8.363 5.439 1.00 0.36 C ATOM 1272 O MET A 85 1.213 7.553 4.818 1.00 0.56 O ATOM 1273 CB MET A 85 4.076 7.471 4.601 1.00 0.76 C ATOM 1274 CG MET A 85 4.053 5.954 4.533 1.00 0.49 C ATOM 1275 SD MET A 85 5.228 5.197 5.671 1.00 1.01 S ATOM 1276 CE MET A 85 6.753 5.987 5.152 1.00 0.44 C ATOM 0 H MET A 85 3.134 6.264 6.839 1.00 0.36 H new ATOM 0 HA MET A 85 3.820 9.016 6.063 1.00 0.46 H new ATOM 0 HB2 MET A 85 3.634 7.868 3.687 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.114 7.804 4.624 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.049 5.598 4.762 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.280 5.635 3.516 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.589 5.306 5.314 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.690 6.239 4.093 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.908 6.896 5.733 1.00 0.44 H new ATOM 1286 N THR A 86 1.463 9.534 5.824 1.00 0.31 N ATOM 1287 CA THR A 86 0.244 10.120 5.311 1.00 0.35 C ATOM 1288 C THR A 86 0.626 11.178 4.308 1.00 0.46 C ATOM 1289 O THR A 86 -0.032 11.390 3.297 1.00 1.05 O ATOM 1290 CB THR A 86 -0.566 10.770 6.437 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.307 11.561 7.264 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.246 9.715 7.275 1.00 0.37 C ATOM 0 H THR A 86 1.947 10.116 6.508 1.00 0.31 H new ATOM 0 HA THR A 86 -0.368 9.342 4.854 1.00 0.35 H new ATOM 0 HB THR A 86 -1.330 11.410 5.996 1.00 0.36 H new ATOM 0 HG1 THR A 86 -0.212 11.978 7.983 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.817 10.194 8.070 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.918 9.130 6.648 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.495 9.058 7.713 1.00 0.37 H new ATOM 1300 N MET A 87 1.726 11.832 4.629 1.00 0.56 N ATOM 1301 CA MET A 87 2.283 12.876 3.808 1.00 0.65 C ATOM 1302 C MET A 87 3.790 12.778 3.835 1.00 0.76 C ATOM 1303 O MET A 87 4.460 13.509 4.561 1.00 1.49 O ATOM 1304 CB MET A 87 1.843 14.254 4.304 1.00 0.84 C ATOM 1305 CG MET A 87 0.950 14.196 5.537 1.00 0.97 C ATOM 1306 SD MET A 87 0.508 15.819 6.188 1.00 1.36 S ATOM 1307 CE MET A 87 -0.417 15.331 7.642 1.00 1.62 C ATOM 0 H MET A 87 2.260 11.647 5.478 1.00 0.56 H new ATOM 0 HA MET A 87 1.921 12.751 2.787 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.727 14.849 4.532 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.311 14.768 3.503 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.038 13.653 5.289 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.458 13.628 6.316 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.767 16.220 8.166 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.273 14.726 7.343 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.225 14.749 8.303 1.00 1.62 H new ATOM 1317 N VAL A 88 4.315 11.822 3.100 1.00 0.40 N ATOM 1318 CA VAL A 88 5.735 11.680 2.955 1.00 0.45 C ATOM 1319 C VAL A 88 6.048 11.358 1.500 1.00 0.36 C ATOM 1320 O VAL A 88 5.165 10.923 0.772 1.00 0.39 O ATOM 1321 CB VAL A 88 6.255 10.596 3.916 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.575 9.289 3.209 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.439 11.121 4.682 1.00 1.09 C ATOM 0 H VAL A 88 3.767 11.128 2.591 1.00 0.40 H new ATOM 0 HA VAL A 88 6.243 12.608 3.217 1.00 0.45 H new ATOM 0 HB VAL A 88 5.456 10.362 4.619 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.937 8.562 3.935 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.675 8.905 2.729 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.343 9.462 2.455 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.804 10.350 5.361 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.231 11.395 3.985 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.141 11.999 5.256 1.00 1.09 H new ATOM 1333 N THR A 89 7.263 11.634 1.056 1.00 0.31 N ATOM 1334 CA THR A 89 7.638 11.425 -0.322 1.00 0.28 C ATOM 1335 C THR A 89 7.564 9.951 -0.747 1.00 0.26 C ATOM 1336 O THR A 89 7.663 9.038 0.077 1.00 0.26 O ATOM 1337 CB THR A 89 9.047 11.990 -0.549 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.979 11.303 0.287 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.052 13.477 -0.218 1.00 0.35 C ATOM 0 H THR A 89 8.010 12.007 1.642 1.00 0.31 H new ATOM 0 HA THR A 89 6.918 11.952 -0.948 1.00 0.28 H new ATOM 0 HB THR A 89 9.334 11.851 -1.591 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.878 11.664 0.140 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.051 13.882 -0.378 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.343 13.996 -0.863 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.766 13.619 0.824 1.00 0.35 H new ATOM 1347 N HIS A 90 7.374 9.743 -2.049 1.00 0.26 N ATOM 1348 CA HIS A 90 7.293 8.400 -2.641 1.00 0.25 C ATOM 1349 C HIS A 90 8.552 7.628 -2.366 1.00 0.27 C ATOM 1350 O HIS A 90 8.525 6.430 -2.090 1.00 0.30 O ATOM 1351 CB HIS A 90 7.091 8.520 -4.145 1.00 0.25 C ATOM 1352 CG HIS A 90 6.989 7.214 -4.893 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.205 7.130 -6.250 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.647 5.954 -4.497 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.005 5.893 -6.652 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.665 5.158 -5.613 1.00 0.32 N ATOM 0 H HIS A 90 7.271 10.498 -2.727 1.00 0.26 H new ATOM 0 HA HIS A 90 6.451 7.870 -2.196 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.183 9.095 -4.327 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.920 9.093 -4.561 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.407 5.642 -3.491 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.103 5.538 -7.667 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.451 4.161 -5.635 1.00 0.32 H new ATOM 1365 N ASP A 91 9.643 8.342 -2.436 1.00 0.31 N ATOM 1366 CA ASP A 91 10.957 7.746 -2.241 1.00 0.34 C ATOM 1367 C ASP A 91 11.137 7.376 -0.795 1.00 0.32 C ATOM 1368 O ASP A 91 11.802 6.399 -0.481 1.00 0.33 O ATOM 1369 CB ASP A 91 12.085 8.676 -2.684 1.00 0.41 C ATOM 1370 CG ASP A 91 12.257 8.707 -4.188 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.265 8.992 -4.894 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.376 8.447 -4.670 1.00 1.67 O ATOM 0 H ASP A 91 9.658 9.344 -2.627 1.00 0.31 H new ATOM 0 HA ASP A 91 11.008 6.853 -2.863 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.882 9.685 -2.324 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.018 8.355 -2.222 1.00 0.41 H new ATOM 1377 N GLN A 92 10.507 8.140 0.082 1.00 0.31 N ATOM 1378 CA GLN A 92 10.611 7.895 1.496 1.00 0.32 C ATOM 1379 C GLN A 92 10.003 6.540 1.816 1.00 0.29 C ATOM 1380 O GLN A 92 10.596 5.712 2.513 1.00 0.31 O ATOM 1381 CB GLN A 92 9.873 8.988 2.243 1.00 0.36 C ATOM 1382 CG GLN A 92 9.721 8.712 3.709 1.00 0.42 C ATOM 1383 CD GLN A 92 10.903 9.176 4.512 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.861 8.437 4.727 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.837 10.415 4.957 1.00 0.62 N ATOM 0 H GLN A 92 9.919 8.935 -0.169 1.00 0.31 H new ATOM 0 HA GLN A 92 11.658 7.896 1.801 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.405 9.930 2.112 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.885 9.116 1.801 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.821 9.206 4.076 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.582 7.642 3.860 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.019 10.988 4.751 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.604 10.801 5.507 1.00 0.62 H new ATOM 1394 N ALA A 93 8.823 6.309 1.258 1.00 0.27 N ATOM 1395 CA ALA A 93 8.108 5.073 1.492 1.00 0.28 C ATOM 1396 C ALA A 93 8.750 3.924 0.724 1.00 0.28 C ATOM 1397 O ALA A 93 8.814 2.800 1.210 1.00 0.33 O ATOM 1398 CB ALA A 93 6.654 5.233 1.093 1.00 0.33 C ATOM 0 H ALA A 93 8.344 6.965 0.640 1.00 0.27 H new ATOM 0 HA ALA A 93 8.158 4.838 2.555 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.123 4.298 1.272 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.200 6.028 1.685 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.593 5.488 0.035 1.00 0.33 H new ATOM 1404 N ARG A 94 9.243 4.225 -0.473 1.00 0.27 N ATOM 1405 CA ARG A 94 9.864 3.220 -1.331 1.00 0.30 C ATOM 1406 C ARG A 94 11.168 2.722 -0.714 1.00 0.33 C ATOM 1407 O ARG A 94 11.469 1.520 -0.731 1.00 0.37 O ATOM 1408 CB ARG A 94 10.152 3.810 -2.713 1.00 0.34 C ATOM 1409 CG ARG A 94 10.417 2.765 -3.786 1.00 0.43 C ATOM 1410 CD ARG A 94 11.051 3.380 -5.026 1.00 0.57 C ATOM 1411 NE ARG A 94 12.338 4.010 -4.731 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.760 5.150 -5.287 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.019 5.766 -6.193 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.933 5.660 -4.948 1.00 2.10 N ATOM 0 H ARG A 94 9.224 5.163 -0.874 1.00 0.27 H new ATOM 0 HA ARG A 94 9.173 2.383 -1.430 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.305 4.424 -3.019 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.016 4.471 -2.642 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.074 1.992 -3.387 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.481 2.278 -4.059 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.191 2.608 -5.782 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.373 4.121 -5.449 1.00 0.57 H new ATOM 0 HE ARG A 94 12.952 3.550 -4.059 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.120 5.371 -6.471 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.346 6.636 -6.614 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.517 5.183 -4.261 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.253 6.530 -5.374 1.00 2.10 H new ATOM 1428 N LYS A 95 11.930 3.662 -0.159 1.00 0.33 N ATOM 1429 CA LYS A 95 13.213 3.377 0.429 1.00 0.40 C ATOM 1430 C LYS A 95 13.022 2.543 1.684 1.00 0.42 C ATOM 1431 O LYS A 95 13.835 1.683 2.008 1.00 0.46 O ATOM 1432 CB LYS A 95 13.917 4.708 0.733 1.00 0.46 C ATOM 1433 CG LYS A 95 15.269 4.586 1.401 1.00 0.64 C ATOM 1434 CD LYS A 95 15.138 4.469 2.913 1.00 0.56 C ATOM 1435 CE LYS A 95 16.342 3.787 3.530 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.599 4.548 3.291 1.00 0.96 N ATOM 0 H LYS A 95 11.662 4.645 -0.110 1.00 0.33 H new ATOM 0 HA LYS A 95 13.835 2.803 -0.257 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.040 5.257 -0.201 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.267 5.306 1.372 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.790 3.712 1.012 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.877 5.456 1.154 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.021 5.463 3.346 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.237 3.907 3.158 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.185 3.675 4.603 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.442 2.784 3.116 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.389 4.073 3.773 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.791 4.590 2.270 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.496 5.514 3.663 1.00 0.96 H new ATOM 1450 N ARG A 96 11.938 2.811 2.391 1.00 0.45 N ATOM 1451 CA ARG A 96 11.613 2.061 3.589 1.00 0.51 C ATOM 1452 C ARG A 96 11.070 0.686 3.249 1.00 0.57 C ATOM 1453 O ARG A 96 11.263 -0.277 3.989 1.00 0.72 O ATOM 1454 CB ARG A 96 10.592 2.816 4.425 1.00 0.55 C ATOM 1455 CG ARG A 96 11.188 3.966 5.201 1.00 0.59 C ATOM 1456 CD ARG A 96 12.472 3.546 5.900 1.00 0.72 C ATOM 1457 NE ARG A 96 12.332 2.263 6.603 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.273 1.724 7.382 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.425 2.348 7.574 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.056 0.562 7.983 1.00 3.57 N ATOM 0 H ARG A 96 11.268 3.543 2.155 1.00 0.45 H new ATOM 0 HA ARG A 96 12.533 1.938 4.160 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.807 3.196 3.771 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.119 2.123 5.121 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.392 4.797 4.526 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.469 4.323 5.938 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.274 3.470 5.166 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.764 4.318 6.612 1.00 0.72 H new ATOM 0 HE ARG A 96 11.458 1.750 6.488 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.599 3.247 7.125 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.139 1.929 8.171 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.168 0.077 7.851 1.00 3.57 H new ATOM 0 HH22 ARG A 96 13.777 0.153 8.577 1.00 3.57 H new ATOM 1474 N LEU A 97 10.364 0.640 2.141 1.00 0.52 N ATOM 1475 CA LEU A 97 9.721 -0.567 1.652 1.00 0.57 C ATOM 1476 C LEU A 97 10.712 -1.718 1.502 1.00 0.64 C ATOM 1477 O LEU A 97 10.567 -2.761 2.142 1.00 0.96 O ATOM 1478 CB LEU A 97 9.066 -0.251 0.308 1.00 0.70 C ATOM 1479 CG LEU A 97 7.860 -1.103 -0.074 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.213 -0.532 -1.320 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.259 -2.552 -0.301 1.00 1.65 C ATOM 0 H LEU A 97 10.216 1.452 1.542 1.00 0.52 H new ATOM 0 HA LEU A 97 8.972 -0.887 2.376 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.758 0.794 0.315 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.820 -0.356 -0.473 1.00 0.70 H new ATOM 0 HG LEU A 97 7.145 -1.083 0.749 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.351 -1.140 -1.594 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.889 0.490 -1.126 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.933 -0.535 -2.138 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.378 -3.134 -0.572 1.00 1.65 H new ATOM 0 HD22 LEU A 97 8.991 -2.606 -1.107 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.694 -2.957 0.613 1.00 1.65 H new ATOM 1493 N THR A 98 11.713 -1.534 0.654 1.00 0.54 N ATOM 1494 CA THR A 98 12.664 -2.606 0.389 1.00 0.65 C ATOM 1495 C THR A 98 14.037 -2.307 0.963 1.00 0.74 C ATOM 1496 O THR A 98 14.423 -2.868 1.991 1.00 1.53 O ATOM 1497 CB THR A 98 12.790 -2.897 -1.122 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.903 -1.669 -1.859 1.00 1.15 O ATOM 1499 CG2 THR A 98 11.603 -3.691 -1.634 1.00 1.12 C ATOM 0 H THR A 98 11.888 -0.668 0.144 1.00 0.54 H new ATOM 0 HA THR A 98 12.267 -3.491 0.887 1.00 0.65 H new ATOM 0 HB THR A 98 13.691 -3.493 -1.269 1.00 0.92 H new ATOM 0 HG1 THR A 98 12.984 -1.868 -2.815 1.00 1.15 H new ATOM 0 HG21 THR A 98 11.724 -3.879 -2.701 1.00 1.12 H new ATOM 0 HG22 THR A 98 11.544 -4.641 -1.103 1.00 1.12 H new ATOM 0 HG23 THR A 98 10.687 -3.125 -1.467 1.00 1.12 H new ATOM 1507 N LYS A 99 14.796 -1.469 0.261 1.00 0.79 N ATOM 1508 CA LYS A 99 16.108 -1.023 0.730 1.00 1.12 C ATOM 1509 C LYS A 99 17.148 -2.150 0.699 1.00 1.36 C ATOM 1510 O LYS A 99 18.331 -1.951 0.986 1.00 2.28 O ATOM 1511 CB LYS A 99 15.937 -0.409 2.125 1.00 1.29 C ATOM 1512 CG LYS A 99 17.172 -0.417 2.981 1.00 1.18 C ATOM 1513 CD LYS A 99 16.821 -0.186 4.441 1.00 1.56 C ATOM 1514 CE LYS A 99 15.914 -1.294 4.963 1.00 1.98 C ATOM 1515 NZ LYS A 99 15.541 -1.081 6.383 1.00 2.72 N ATOM 0 H LYS A 99 14.523 -1.082 -0.642 1.00 0.79 H new ATOM 0 HA LYS A 99 16.501 -0.263 0.054 1.00 1.12 H new ATOM 0 HB2 LYS A 99 15.598 0.621 2.013 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.148 -0.949 2.648 1.00 1.29 H new ATOM 0 HG2 LYS A 99 17.688 -1.371 2.873 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.860 0.357 2.641 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.733 -0.146 5.037 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.325 0.778 4.552 1.00 1.56 H new ATOM 0 HE2 LYS A 99 15.011 -1.341 4.354 1.00 1.98 H new ATOM 0 HE3 LYS A 99 16.419 -2.255 4.860 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 14.738 -1.696 6.627 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 16.351 -1.311 6.993 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 15.272 -0.087 6.526 1.00 2.72 H new ATOM 1529 N ARG A 100 16.691 -3.322 0.318 1.00 1.04 N ATOM 1530 CA ARG A 100 17.550 -4.468 0.063 1.00 1.17 C ATOM 1531 C ARG A 100 18.138 -5.059 1.350 1.00 1.12 C ATOM 1532 O ARG A 100 19.161 -5.738 1.298 1.00 1.39 O ATOM 1533 CB ARG A 100 18.701 -4.109 -0.896 1.00 1.55 C ATOM 1534 CG ARG A 100 18.264 -3.698 -2.291 1.00 2.10 C ATOM 1535 CD ARG A 100 19.467 -3.359 -3.163 1.00 2.50 C ATOM 1536 NE ARG A 100 20.391 -4.487 -3.296 1.00 3.10 N ATOM 1537 CZ ARG A 100 21.683 -4.373 -3.629 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.220 -3.183 -3.885 1.00 3.60 N ATOM 1539 NH2 ARG A 100 22.432 -5.462 -3.720 1.00 4.38 N ATOM 0 H ARG A 100 15.700 -3.513 0.173 1.00 1.04 H new ATOM 0 HA ARG A 100 16.911 -5.220 -0.401 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.280 -3.296 -0.458 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.368 -4.967 -0.978 1.00 1.55 H new ATOM 0 HG2 ARG A 100 17.694 -4.506 -2.750 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.601 -2.835 -2.229 1.00 2.10 H new ATOM 0 HD2 ARG A 100 19.123 -3.056 -4.152 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.996 -2.508 -2.734 1.00 2.50 H new ATOM 0 HE ARG A 100 20.026 -5.424 -3.123 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.646 -2.342 -3.829 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.206 -3.112 -4.137 1.00 3.60 H new ATOM 0 HH21 ARG A 100 22.024 -6.379 -3.537 1.00 4.38 H new ATOM 0 HH22 ARG A 100 23.417 -5.384 -3.973 1.00 4.38 H new ATOM 1553 N SER A 101 17.493 -4.834 2.495 1.00 1.05 N ATOM 1554 CA SER A 101 18.071 -5.269 3.772 1.00 1.37 C ATOM 1555 C SER A 101 17.016 -5.499 4.856 1.00 1.22 C ATOM 1556 O SER A 101 17.297 -5.368 6.048 1.00 1.64 O ATOM 1557 CB SER A 101 19.094 -4.231 4.238 1.00 1.90 C ATOM 1558 OG SER A 101 18.604 -2.915 4.041 1.00 2.51 O ATOM 0 H SER A 101 16.591 -4.364 2.568 1.00 1.05 H new ATOM 0 HA SER A 101 18.555 -6.231 3.605 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.320 -4.385 5.293 1.00 1.90 H new ATOM 0 HB3 SER A 101 20.027 -4.362 3.690 1.00 1.90 H new ATOM 0 HG SER A 101 19.273 -2.268 4.347 1.00 2.51 H new ATOM 1564 N GLU A 102 15.813 -5.869 4.449 1.00 1.06 N ATOM 1565 CA GLU A 102 14.754 -6.180 5.401 1.00 1.19 C ATOM 1566 C GLU A 102 14.629 -7.682 5.636 1.00 0.93 C ATOM 1567 O GLU A 102 15.181 -8.488 4.888 1.00 1.34 O ATOM 1568 CB GLU A 102 13.421 -5.621 4.920 1.00 1.63 C ATOM 1569 CG GLU A 102 13.255 -4.146 5.216 1.00 2.12 C ATOM 1570 CD GLU A 102 13.280 -3.864 6.706 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.385 -4.351 7.423 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.186 -3.147 7.167 1.00 2.95 O ATOM 0 H GLU A 102 15.544 -5.962 3.470 1.00 1.06 H new ATOM 0 HA GLU A 102 15.022 -5.710 6.347 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.333 -5.782 3.846 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.610 -6.174 5.393 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.051 -3.585 4.727 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.313 -3.795 4.795 1.00 2.12 H new ATOM 1579 N GLU A 103 13.897 -8.042 6.687 1.00 0.74 N ATOM 1580 CA GLU A 103 13.638 -9.441 7.015 1.00 0.68 C ATOM 1581 C GLU A 103 12.151 -9.753 6.854 1.00 0.54 C ATOM 1582 O GLU A 103 11.758 -10.878 6.551 1.00 0.61 O ATOM 1583 CB GLU A 103 14.093 -9.746 8.444 1.00 0.95 C ATOM 1584 CG GLU A 103 13.528 -8.787 9.478 1.00 1.37 C ATOM 1585 CD GLU A 103 13.874 -9.182 10.893 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.588 -10.192 11.080 1.00 2.58 O ATOM 1587 OE2 GLU A 103 13.431 -8.486 11.832 1.00 2.68 O ATOM 0 H GLU A 103 13.469 -7.377 7.331 1.00 0.74 H new ATOM 0 HA GLU A 103 14.204 -10.071 6.329 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.796 -10.762 8.702 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.182 -9.712 8.485 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.908 -7.784 9.282 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.444 -8.744 9.373 1.00 1.37 H new ATOM 1594 N VAL A 104 11.338 -8.733 7.049 1.00 0.40 N ATOM 1595 CA VAL A 104 9.904 -8.828 6.888 1.00 0.33 C ATOM 1596 C VAL A 104 9.387 -7.449 6.523 1.00 0.29 C ATOM 1597 O VAL A 104 9.904 -6.443 7.004 1.00 0.34 O ATOM 1598 CB VAL A 104 9.203 -9.369 8.160 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.593 -8.574 9.396 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.691 -9.380 7.986 1.00 0.37 C ATOM 0 H VAL A 104 11.660 -7.806 7.327 1.00 0.40 H new ATOM 0 HA VAL A 104 9.677 -9.543 6.097 1.00 0.33 H new ATOM 0 HB VAL A 104 9.541 -10.395 8.305 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.082 -8.983 10.268 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.671 -8.638 9.544 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.306 -7.531 9.263 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.223 -9.764 8.893 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.339 -8.366 7.798 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.426 -10.018 7.143 1.00 0.37 H new ATOM 1610 N VAL A 105 8.397 -7.389 5.659 1.00 0.28 N ATOM 1611 CA VAL A 105 7.982 -6.128 5.106 1.00 0.28 C ATOM 1612 C VAL A 105 6.584 -5.769 5.522 1.00 0.26 C ATOM 1613 O VAL A 105 5.614 -6.473 5.241 1.00 0.26 O ATOM 1614 CB VAL A 105 8.122 -6.099 3.588 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.448 -4.870 3.014 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.589 -6.109 3.251 1.00 0.46 C ATOM 0 H VAL A 105 7.870 -8.197 5.328 1.00 0.28 H new ATOM 0 HA VAL A 105 8.654 -5.373 5.514 1.00 0.28 H new ATOM 0 HB VAL A 105 7.636 -6.972 3.152 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.559 -4.867 1.930 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.389 -4.883 3.271 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.911 -3.974 3.428 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.714 -6.089 2.168 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.069 -5.233 3.688 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.048 -7.012 3.652 1.00 0.46 H new ATOM 1626 N ARG A 106 6.527 -4.673 6.230 1.00 0.29 N ATOM 1627 CA ARG A 106 5.323 -4.199 6.846 1.00 0.28 C ATOM 1628 C ARG A 106 4.684 -3.105 6.022 1.00 0.26 C ATOM 1629 O ARG A 106 5.343 -2.146 5.634 1.00 0.32 O ATOM 1630 CB ARG A 106 5.669 -3.701 8.229 1.00 0.35 C ATOM 1631 CG ARG A 106 6.192 -4.800 9.137 1.00 0.43 C ATOM 1632 CD ARG A 106 7.645 -5.171 8.842 1.00 0.54 C ATOM 1633 NE ARG A 106 8.353 -5.525 10.070 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.635 -5.251 10.315 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.392 -4.687 9.382 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.159 -5.566 11.492 1.00 1.46 N ATOM 0 H ARG A 106 7.336 -4.074 6.396 1.00 0.29 H new ATOM 0 HA ARG A 106 4.598 -5.010 6.912 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.419 -2.914 8.150 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.784 -3.253 8.681 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.108 -4.478 10.175 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.566 -5.685 9.026 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.676 -6.009 8.145 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.147 -4.334 8.357 1.00 0.54 H new ATOM 0 HE ARG A 106 7.828 -6.018 10.793 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.994 -4.460 8.471 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.372 -4.480 9.576 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.582 -6.015 12.203 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.139 -5.359 11.686 1.00 1.46 H new ATOM 1650 N LEU A 107 3.418 -3.263 5.750 1.00 0.24 N ATOM 1651 CA LEU A 107 2.662 -2.274 5.010 1.00 0.24 C ATOM 1652 C LEU A 107 1.337 -2.004 5.709 1.00 0.21 C ATOM 1653 O LEU A 107 0.604 -2.939 6.048 1.00 0.28 O ATOM 1654 CB LEU A 107 2.413 -2.767 3.583 1.00 0.37 C ATOM 1655 CG LEU A 107 1.836 -1.727 2.626 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.904 -0.713 2.252 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.268 -2.403 1.387 1.00 1.12 C ATOM 0 H LEU A 107 2.875 -4.079 6.032 1.00 0.24 H new ATOM 0 HA LEU A 107 3.234 -1.347 4.968 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.355 -3.132 3.173 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.732 -3.617 3.623 1.00 0.37 H new ATOM 0 HG LEU A 107 1.022 -1.200 3.125 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.482 0.024 1.569 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.261 -0.212 3.152 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.736 -1.223 1.766 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.861 -1.648 0.715 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.059 -2.953 0.878 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.477 -3.093 1.680 1.00 1.12 H new ATOM 1669 N LEU A 108 1.022 -0.742 5.937 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.263 -0.387 6.466 1.00 0.15 C ATOM 1671 C LEU A 108 -1.062 0.215 5.341 1.00 0.15 C ATOM 1672 O LEU A 108 -0.713 1.267 4.833 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.090 0.605 7.610 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.373 1.204 8.177 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.354 0.102 8.538 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.043 2.046 9.399 1.00 0.26 C ATOM 0 H LEU A 108 1.644 0.047 5.761 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.783 -1.259 6.863 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.443 0.106 8.419 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.546 1.420 7.264 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.837 1.839 7.423 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.265 0.544 8.941 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.595 -0.477 7.646 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.907 -0.553 9.286 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.960 2.474 9.804 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.570 1.420 10.155 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.362 2.849 9.115 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.112 -0.449 4.928 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.831 -0.006 3.762 1.00 0.21 C ATOM 1690 C VAL A 109 -4.273 0.268 4.103 1.00 0.22 C ATOM 1691 O VAL A 109 -4.873 -0.401 4.941 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.731 -1.033 2.612 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.065 -1.695 2.307 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.153 -0.382 1.374 1.00 0.77 C ATOM 0 H VAL A 109 -2.484 -1.287 5.375 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.371 0.921 3.420 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.058 -1.825 2.941 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.940 -2.407 1.492 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.423 -2.218 3.194 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.790 -0.935 2.016 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.089 -1.118 0.572 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.797 0.440 1.061 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.157 0.001 1.596 1.00 0.77 H new ATOM 1704 N THR A 110 -4.811 1.272 3.477 1.00 0.22 N ATOM 1705 CA THR A 110 -6.219 1.553 3.621 1.00 0.25 C ATOM 1706 C THR A 110 -7.008 0.949 2.465 1.00 0.26 C ATOM 1707 O THR A 110 -6.785 1.275 1.298 1.00 0.30 O ATOM 1708 CB THR A 110 -6.479 3.056 3.680 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.405 3.709 4.349 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.761 3.342 4.417 1.00 0.33 C ATOM 0 H THR A 110 -4.305 1.910 2.864 1.00 0.22 H new ATOM 0 HA THR A 110 -6.548 1.103 4.558 1.00 0.25 H new ATOM 0 HB THR A 110 -6.560 3.429 2.659 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.634 3.771 3.747 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.930 4.418 4.449 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.592 2.859 3.902 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.690 2.955 5.434 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.928 0.069 2.827 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.748 -0.676 1.898 1.00 0.37 C ATOM 1720 C ARG A 111 -10.035 0.093 1.613 1.00 0.42 C ATOM 1721 O ARG A 111 -10.489 0.875 2.446 1.00 0.49 O ATOM 1722 CB ARG A 111 -9.054 -2.024 2.539 1.00 0.53 C ATOM 1723 CG ARG A 111 -8.892 -3.198 1.614 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.834 -4.493 2.405 1.00 0.58 C ATOM 1725 NE ARG A 111 -8.552 -5.637 1.553 1.00 1.06 N ATOM 1726 CZ ARG A 111 -7.947 -6.747 1.969 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -7.646 -6.910 3.256 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -7.662 -7.702 1.095 1.00 2.01 N ATOM 0 H ARG A 111 -8.127 -0.149 3.803 1.00 0.30 H new ATOM 0 HA ARG A 111 -8.232 -0.822 0.949 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -8.400 -2.161 3.400 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -10.077 -2.011 2.915 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.724 -3.232 0.910 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -7.981 -3.083 1.026 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.065 -4.415 3.174 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.783 -4.648 2.918 1.00 0.58 H new ATOM 0 HE ARG A 111 -8.836 -5.586 0.575 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -7.879 -6.181 3.931 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -7.182 -7.764 3.567 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -7.906 -7.583 0.112 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -7.198 -8.556 1.406 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.622 -0.129 0.446 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.696 0.722 -0.028 1.00 0.71 C ATOM 1744 C GLN A 112 -12.746 -0.033 -0.839 1.00 0.89 C ATOM 1745 O GLN A 112 -13.917 -0.073 -0.459 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.122 1.906 -0.824 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.274 1.567 -2.049 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.263 0.451 -1.833 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.561 -0.714 -2.098 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.110 0.780 -1.278 1.00 0.66 N ATOM 0 H GLN A 112 -10.372 -0.889 -0.186 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.215 1.102 0.852 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -11.953 2.532 -1.149 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.516 2.508 -0.147 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.937 1.285 -2.866 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -9.742 2.464 -2.366 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.902 1.758 -1.075 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.427 0.056 -1.053 1.00 0.66 H new ATOM 1759 N SER A 113 -12.337 -0.628 -1.943 1.00 0.79 N ATOM 1760 CA SER A 113 -13.287 -1.268 -2.841 1.00 0.96 C ATOM 1761 C SER A 113 -12.613 -2.325 -3.719 1.00 0.89 C ATOM 1762 O SER A 113 -13.217 -2.848 -4.653 1.00 1.18 O ATOM 1763 CB SER A 113 -13.958 -0.194 -3.704 1.00 1.25 C ATOM 1764 OG SER A 113 -15.032 -0.723 -4.468 1.00 1.62 O ATOM 0 H SER A 113 -11.363 -0.683 -2.241 1.00 0.79 H new ATOM 0 HA SER A 113 -14.039 -1.784 -2.244 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.328 0.607 -3.064 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.220 0.248 -4.373 1.00 1.25 H new ATOM 0 HG SER A 113 -14.826 -1.646 -4.727 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.372 -2.665 -3.404 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.625 -3.611 -4.219 1.00 0.94 C ATOM 1772 C LEU A 114 -10.611 -4.996 -3.591 1.00 1.13 C ATOM 1773 O LEU A 114 -9.793 -5.844 -3.952 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.199 -3.106 -4.451 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.061 -2.074 -5.572 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.773 -2.578 -6.808 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.607 -0.715 -5.157 1.00 1.23 C ATOM 0 H LEU A 114 -10.864 -2.303 -2.597 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.127 -3.692 -5.183 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.828 -2.668 -3.524 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.559 -3.958 -4.679 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.001 -1.942 -5.789 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.676 -1.844 -7.608 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.328 -3.521 -7.125 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.828 -2.732 -6.583 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.491 -0.010 -5.980 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.663 -0.809 -4.906 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -9.058 -0.352 -4.288 1.00 1.23 H new