USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 751 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 119 MET CE :methyl 163:sc= -0.0517 (180deg=-0.198) USER MOD Set 1.2: A 122 GLN : amide:sc= -2.71! C(o=-2.8!,f=-3.6!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc=-0.00211 (180deg=-0.36) USER MOD Single : A 23 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.84) USER MOD Single : A 43 CYS SG : rot -176:sc= -3.02! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -86:sc= 0.806 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.173 USER MOD Single : A 52 GLN : amide:sc= -3.61! C(o=-3.6!,f=-5.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00994 X(o=-0.0099,f=-0.063) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -150:sc=6.46e-05 USER MOD Single : A 60 ASN : amide:sc= -6.08! C(o=-6.1!,f=-5.8!) USER MOD Single : A 64 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.42) USER MOD Single : A 69 ASN : amide:sc= -0.722 X(o=-0.72,f=-1.2) USER MOD Single : A 71 SER OG : rot 120:sc= -0.0868 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= -0.114 (180deg=-0.617) USER MOD Single : A 103 LYS NZ :NH3+ -159:sc= -0.272 (180deg=-0.275) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 99:sc= 0.0209 USER MOD Single : A 117 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.18) USER MOD Single : A 118 LYS NZ :NH3+ -154:sc= -0.152 (180deg=-0.868) USER MOD Single : A 121 HIS : no HD1:sc= -1.77! C(o=-1.8!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.685 3.794 7.870 1.00 0.00 N ATOM 173 CA MET A 11 -3.473 3.126 7.427 1.00 0.00 C ATOM 174 C MET A 11 -3.335 1.750 8.083 1.00 0.00 C ATOM 175 O MET A 11 -3.038 0.764 7.409 1.00 0.00 O ATOM 176 CB MET A 11 -2.257 3.984 7.781 1.00 0.00 C ATOM 177 CG MET A 11 -2.047 4.040 9.296 1.00 0.00 C ATOM 178 SD MET A 11 -0.786 5.238 9.694 1.00 0.00 S ATOM 179 CE MET A 11 -0.541 4.868 11.423 1.00 0.00 C ATOM 0 HA MET A 11 -3.530 2.990 6.347 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.367 3.575 7.302 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.394 4.993 7.392 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.981 4.305 9.791 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.757 3.057 9.668 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.221 5.531 11.832 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.477 5.014 11.963 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.218 3.833 11.531 1.00 0.00 H new ATOM 189 N ARG A 12 -3.557 1.727 9.389 1.00 0.00 N ATOM 190 CA ARG A 12 -3.461 0.489 10.143 1.00 0.00 C ATOM 191 C ARG A 12 -4.235 -0.625 9.435 1.00 0.00 C ATOM 192 O ARG A 12 -3.710 -1.719 9.233 1.00 0.00 O ATOM 193 CB ARG A 12 -4.011 0.662 11.560 1.00 0.00 C ATOM 194 CG ARG A 12 -2.985 1.343 12.467 1.00 0.00 C ATOM 195 CD ARG A 12 -2.766 0.537 13.749 1.00 0.00 C ATOM 196 NE ARG A 12 -3.766 0.924 14.768 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.115 0.155 15.809 1.00 0.00 C ATOM 198 NH1 ARG A 12 -3.546 -1.047 15.974 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.032 0.588 16.684 1.00 0.00 N ATOM 0 H ARG A 12 -3.803 2.546 9.944 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.406 0.220 10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.925 1.255 11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.277 -0.311 11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.040 1.451 11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.326 2.347 12.718 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.846 -0.529 13.536 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.760 0.711 14.130 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.218 1.833 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.848 -1.376 15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.811 -1.632 16.766 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.465 1.503 16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.297 0.003 17.476 1.00 0.00 H new ATOM 213 N GLN A 13 -5.471 -0.308 9.077 1.00 0.00 N ATOM 214 CA GLN A 13 -6.322 -1.268 8.396 1.00 0.00 C ATOM 215 C GLN A 13 -5.589 -1.871 7.196 1.00 0.00 C ATOM 216 O GLN A 13 -5.645 -3.079 6.972 1.00 0.00 O ATOM 217 CB GLN A 13 -7.641 -0.623 7.966 1.00 0.00 C ATOM 218 CG GLN A 13 -8.646 -0.607 9.119 1.00 0.00 C ATOM 219 CD GLN A 13 -10.031 -1.053 8.647 1.00 0.00 C ATOM 220 OE1 GLN A 13 -10.907 -0.251 8.365 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.179 -2.372 8.576 1.00 0.00 N ATOM 0 H GLN A 13 -5.903 0.600 9.246 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.559 -2.072 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.457 0.396 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.060 -1.171 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.300 -1.265 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.707 0.397 9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.404 -2.986 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.067 -2.770 8.271 1.00 0.00 H new ATOM 230 N LEU A 14 -4.918 -1.000 6.455 1.00 0.00 N ATOM 231 CA LEU A 14 -4.175 -1.431 5.284 1.00 0.00 C ATOM 232 C LEU A 14 -3.060 -2.386 5.715 1.00 0.00 C ATOM 233 O LEU A 14 -3.082 -3.567 5.372 1.00 0.00 O ATOM 234 CB LEU A 14 -3.676 -0.222 4.491 1.00 0.00 C ATOM 235 CG LEU A 14 -4.750 0.758 4.014 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.122 1.961 3.309 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.783 0.052 3.133 1.00 0.00 C ATOM 0 H LEU A 14 -4.874 0.001 6.644 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.824 -1.984 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.963 0.324 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.130 -0.584 3.620 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.278 1.138 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.908 2.641 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.457 2.481 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.553 1.620 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.535 0.770 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.287 -0.375 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.264 -0.744 3.702 1.00 0.00 H new ATOM 249 N ILE A 15 -2.112 -1.839 6.461 1.00 0.00 N ATOM 250 CA ILE A 15 -0.990 -2.628 6.943 1.00 0.00 C ATOM 251 C ILE A 15 -1.493 -4.003 7.387 1.00 0.00 C ATOM 252 O ILE A 15 -0.876 -5.022 7.079 1.00 0.00 O ATOM 253 CB ILE A 15 -0.231 -1.869 8.034 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.543 -0.689 7.444 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.676 -2.812 8.827 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.255 0.610 7.571 1.00 0.00 C ATOM 0 H ILE A 15 -2.097 -0.859 6.744 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.269 -2.795 6.142 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.958 -1.458 8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.499 -0.584 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.764 -0.883 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.204 -2.248 9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.072 -3.588 9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.399 -3.273 8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.319 1.433 7.144 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.200 0.510 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.453 0.814 8.623 1.00 0.00 H new ATOM 268 N ASP A 16 -2.608 -3.988 8.102 1.00 0.00 N ATOM 269 CA ASP A 16 -3.200 -5.221 8.591 1.00 0.00 C ATOM 270 C ASP A 16 -3.722 -6.036 7.405 1.00 0.00 C ATOM 271 O ASP A 16 -3.430 -7.225 7.287 1.00 0.00 O ATOM 272 CB ASP A 16 -4.379 -4.935 9.523 1.00 0.00 C ATOM 273 CG ASP A 16 -4.328 -5.659 10.870 1.00 0.00 C ATOM 274 OD1 ASP A 16 -3.649 -6.707 10.926 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.970 -5.148 11.813 1.00 0.00 O ATOM 0 H ASP A 16 -3.117 -3.141 8.354 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.433 -5.769 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.426 -3.861 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.302 -5.212 9.013 1.00 0.00 H new ATOM 280 N ILE A 17 -4.486 -5.364 6.557 1.00 0.00 N ATOM 281 CA ILE A 17 -5.052 -6.010 5.385 1.00 0.00 C ATOM 282 C ILE A 17 -3.949 -6.771 4.646 1.00 0.00 C ATOM 283 O ILE A 17 -4.148 -7.912 4.231 1.00 0.00 O ATOM 284 CB ILE A 17 -5.787 -4.991 4.513 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.301 -5.094 4.707 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.386 -5.136 3.044 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.737 -4.402 6.000 1.00 0.00 C ATOM 0 H ILE A 17 -4.727 -4.378 6.658 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.804 -6.742 5.679 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.489 -3.992 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.812 -4.640 3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.597 -6.143 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.923 -4.400 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.313 -4.974 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.636 -6.138 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.818 -4.490 6.113 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.243 -4.874 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.461 -3.348 5.960 1.00 0.00 H new ATOM 299 N VAL A 18 -2.811 -6.108 4.503 1.00 0.00 N ATOM 300 CA VAL A 18 -1.677 -6.707 3.820 1.00 0.00 C ATOM 301 C VAL A 18 -1.232 -7.958 4.581 1.00 0.00 C ATOM 302 O VAL A 18 -1.352 -9.072 4.074 1.00 0.00 O ATOM 303 CB VAL A 18 -0.558 -5.676 3.660 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.587 -6.236 2.815 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.095 -4.374 3.062 1.00 0.00 C ATOM 0 H VAL A 18 -2.650 -5.162 4.848 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.959 -7.020 2.815 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.164 -5.452 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.369 -5.483 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.996 -7.123 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.213 -6.502 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.280 -3.658 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.528 -4.575 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.860 -3.960 3.719 1.00 0.00 H new ATOM 315 N ASP A 19 -0.728 -7.731 5.785 1.00 0.00 N ATOM 316 CA ASP A 19 -0.265 -8.826 6.621 1.00 0.00 C ATOM 317 C ASP A 19 -1.250 -9.992 6.519 1.00 0.00 C ATOM 318 O ASP A 19 -0.843 -11.151 6.471 1.00 0.00 O ATOM 319 CB ASP A 19 -0.183 -8.402 8.089 1.00 0.00 C ATOM 320 CG ASP A 19 0.710 -9.281 8.967 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.142 -10.338 8.458 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.940 -8.876 10.127 1.00 0.00 O ATOM 0 H ASP A 19 -0.630 -6.805 6.202 1.00 0.00 H new ATOM 0 HA ASP A 19 0.726 -9.119 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.184 -7.377 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.189 -8.400 8.508 1.00 0.00 H new ATOM 327 N GLN A 20 -2.528 -9.644 6.489 1.00 0.00 N ATOM 328 CA GLN A 20 -3.575 -10.647 6.393 1.00 0.00 C ATOM 329 C GLN A 20 -3.443 -11.429 5.086 1.00 0.00 C ATOM 330 O GLN A 20 -3.498 -12.658 5.085 1.00 0.00 O ATOM 331 CB GLN A 20 -4.960 -10.007 6.512 1.00 0.00 C ATOM 332 CG GLN A 20 -5.788 -10.690 7.602 1.00 0.00 C ATOM 333 CD GLN A 20 -7.262 -10.774 7.199 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.671 -10.318 6.144 1.00 0.00 O ATOM 335 NE2 GLN A 20 -8.034 -11.381 8.096 1.00 0.00 N ATOM 0 H GLN A 20 -2.862 -8.681 6.529 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.460 -11.344 7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.856 -8.946 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.480 -10.078 5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.400 -11.692 7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.694 -10.136 8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.627 -11.740 8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.033 -11.487 7.920 1.00 0.00 H new ATOM 344 N LEU A 21 -3.272 -10.686 4.003 1.00 0.00 N ATOM 345 CA LEU A 21 -3.131 -11.295 2.691 1.00 0.00 C ATOM 346 C LEU A 21 -1.763 -11.973 2.592 1.00 0.00 C ATOM 347 O LEU A 21 -1.622 -13.001 1.932 1.00 0.00 O ATOM 348 CB LEU A 21 -3.387 -10.263 1.591 1.00 0.00 C ATOM 349 CG LEU A 21 -2.946 -10.662 0.181 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.421 -10.657 0.061 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.549 -12.010 -0.221 1.00 0.00 C ATOM 0 H LEU A 21 -3.228 -9.667 4.007 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.883 -12.071 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.454 -10.043 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.877 -9.339 1.862 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.326 -9.918 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.135 -10.944 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.042 -9.658 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.998 -11.366 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.220 -12.270 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.220 -12.779 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.637 -11.942 -0.201 1.00 0.00 H new ATOM 363 N LYS A 22 -0.789 -11.369 3.258 1.00 0.00 N ATOM 364 CA LYS A 22 0.563 -11.901 3.253 1.00 0.00 C ATOM 365 C LYS A 22 0.552 -13.312 3.844 1.00 0.00 C ATOM 366 O LYS A 22 1.173 -14.223 3.297 1.00 0.00 O ATOM 367 CB LYS A 22 1.518 -10.943 3.967 1.00 0.00 C ATOM 368 CG LYS A 22 2.469 -10.274 2.971 1.00 0.00 C ATOM 369 CD LYS A 22 3.213 -9.107 3.623 1.00 0.00 C ATOM 370 CE LYS A 22 4.017 -9.579 4.836 1.00 0.00 C ATOM 371 NZ LYS A 22 5.057 -10.548 4.423 1.00 0.00 N ATOM 0 H LYS A 22 -0.910 -10.516 3.805 1.00 0.00 H new ATOM 0 HA LYS A 22 0.936 -11.985 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.946 -10.181 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.094 -11.488 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.187 -11.006 2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.906 -9.915 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.882 -8.646 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.500 -8.342 3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.482 -8.724 5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.350 -10.040 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.729 -10.691 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.610 -11.455 4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.564 -10.180 3.593 1.00 0.00 H new ATOM 385 N ASN A 23 -0.160 -13.450 4.952 1.00 0.00 N ATOM 386 CA ASN A 23 -0.259 -14.735 5.623 1.00 0.00 C ATOM 387 C ASN A 23 -1.146 -15.670 4.797 1.00 0.00 C ATOM 388 O ASN A 23 -1.327 -16.834 5.152 1.00 0.00 O ATOM 389 CB ASN A 23 -0.891 -14.586 7.009 1.00 0.00 C ATOM 390 CG ASN A 23 0.174 -14.639 8.106 1.00 0.00 C ATOM 391 OD1 ASN A 23 1.169 -15.338 8.008 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.089 -13.862 9.152 1.00 0.00 N ATOM 0 H ASN A 23 -0.674 -12.693 5.402 1.00 0.00 H new ATOM 0 HA ASN A 23 0.748 -15.139 5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.431 -13.641 7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.621 -15.380 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.561 -13.826 9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.941 -13.302 9.170 1.00 0.00 H new ATOM 399 N TYR A 24 -1.675 -15.125 3.712 1.00 0.00 N ATOM 400 CA TYR A 24 -2.538 -15.895 2.833 1.00 0.00 C ATOM 401 C TYR A 24 -1.910 -16.052 1.447 1.00 0.00 C ATOM 402 O TYR A 24 -2.543 -16.571 0.529 1.00 0.00 O ATOM 403 CB TYR A 24 -3.834 -15.091 2.704 1.00 0.00 C ATOM 404 CG TYR A 24 -4.813 -15.299 3.861 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.023 -16.565 4.369 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.486 -14.220 4.397 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.944 -16.761 5.458 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.408 -14.416 5.487 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.591 -15.677 5.963 1.00 0.00 C ATOM 410 OH TYR A 24 -7.461 -15.861 6.992 1.00 0.00 O ATOM 0 H TYR A 24 -1.523 -14.159 3.421 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.704 -16.894 3.237 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.587 -14.031 2.637 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.327 -15.363 1.771 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.496 -17.409 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.322 -13.229 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.117 -17.746 5.865 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.941 -13.581 5.916 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.848 -14.999 7.251 1.00 0.00 H new ATOM 420 N VAL A 25 -0.671 -15.594 1.338 1.00 0.00 N ATOM 421 CA VAL A 25 0.050 -15.677 0.080 1.00 0.00 C ATOM 422 C VAL A 25 -0.221 -17.036 -0.570 1.00 0.00 C ATOM 423 O VAL A 25 -0.223 -17.153 -1.794 1.00 0.00 O ATOM 424 CB VAL A 25 1.539 -15.412 0.312 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.795 -13.930 0.590 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.081 -16.285 1.445 1.00 0.00 C ATOM 0 H VAL A 25 -0.148 -15.164 2.101 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.299 -14.910 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 25 2.073 -15.678 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.861 -13.769 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.463 -13.337 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.243 -13.626 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.141 -16.077 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.540 -16.065 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.949 -17.336 1.189 1.00 0.00 H new ATOM 436 N ASN A 26 -0.444 -18.028 0.279 1.00 0.00 N ATOM 437 CA ASN A 26 -0.716 -19.374 -0.196 1.00 0.00 C ATOM 438 C ASN A 26 -1.746 -19.312 -1.326 1.00 0.00 C ATOM 439 O ASN A 26 -1.798 -20.202 -2.173 1.00 0.00 O ATOM 440 CB ASN A 26 -1.291 -20.247 0.920 1.00 0.00 C ATOM 441 CG ASN A 26 -0.974 -21.725 0.679 1.00 0.00 C ATOM 442 OD1 ASN A 26 0.102 -22.213 0.983 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.968 -22.406 0.116 1.00 0.00 N ATOM 0 H ASN A 26 -0.442 -17.927 1.294 1.00 0.00 H new ATOM 0 HA ASN A 26 0.223 -19.805 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.879 -19.935 1.880 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.371 -20.107 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.855 -23.399 -0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.843 -21.935 -0.113 1.00 0.00 H new ATOM 450 N ASP A 27 -2.540 -18.252 -1.302 1.00 0.00 N ATOM 451 CA ASP A 27 -3.566 -18.062 -2.314 1.00 0.00 C ATOM 452 C ASP A 27 -3.320 -16.740 -3.043 1.00 0.00 C ATOM 453 O ASP A 27 -4.210 -15.895 -3.122 1.00 0.00 O ATOM 454 CB ASP A 27 -4.958 -18.001 -1.682 1.00 0.00 C ATOM 455 CG ASP A 27 -5.420 -19.295 -1.009 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.531 -20.096 -0.649 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.652 -19.454 -0.869 1.00 0.00 O ATOM 0 H ASP A 27 -2.494 -17.515 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.519 -18.905 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.970 -17.200 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.680 -17.733 -2.454 1.00 0.00 H new ATOM 462 N LEU A 28 -2.106 -16.602 -3.556 1.00 0.00 N ATOM 463 CA LEU A 28 -1.731 -15.396 -4.276 1.00 0.00 C ATOM 464 C LEU A 28 -1.298 -15.769 -5.696 1.00 0.00 C ATOM 465 O LEU A 28 -0.614 -16.771 -5.897 1.00 0.00 O ATOM 466 CB LEU A 28 -0.673 -14.614 -3.496 1.00 0.00 C ATOM 467 CG LEU A 28 -1.199 -13.524 -2.560 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.051 -12.685 -1.995 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.250 -12.660 -3.260 1.00 0.00 C ATOM 0 H LEU A 28 -1.370 -17.305 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.586 -14.726 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.089 -15.321 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.010 -14.154 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.690 -14.007 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.453 -11.918 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.628 -13.328 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.490 -12.211 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.607 -11.893 -2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.806 -12.185 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.086 -13.286 -3.572 1.00 0.00 H new ATOM 481 N VAL A 29 -1.715 -14.942 -6.643 1.00 0.00 N ATOM 482 CA VAL A 29 -1.379 -15.172 -8.038 1.00 0.00 C ATOM 483 C VAL A 29 -0.265 -14.209 -8.455 1.00 0.00 C ATOM 484 O VAL A 29 -0.402 -12.995 -8.309 1.00 0.00 O ATOM 485 CB VAL A 29 -2.633 -15.048 -8.906 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.859 -13.598 -9.338 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.553 -15.976 -10.120 1.00 0.00 C ATOM 0 H VAL A 29 -2.282 -14.112 -6.472 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.002 -16.185 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.489 -15.356 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.756 -13.537 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.982 -12.970 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.000 -13.252 -9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.456 -15.869 -10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.684 -15.713 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.462 -17.009 -9.783 1.00 0.00 H new ATOM 497 N PRO A 30 0.840 -14.802 -8.980 1.00 0.00 N ATOM 498 CA PRO A 30 1.977 -14.010 -9.420 1.00 0.00 C ATOM 499 C PRO A 30 1.678 -13.312 -10.748 1.00 0.00 C ATOM 500 O PRO A 30 1.456 -13.971 -11.763 1.00 0.00 O ATOM 501 CB PRO A 30 3.130 -14.995 -9.513 1.00 0.00 C ATOM 502 CG PRO A 30 2.496 -16.375 -9.574 1.00 0.00 C ATOM 503 CD PRO A 30 1.037 -16.236 -9.169 1.00 0.00 C ATOM 0 HA PRO A 30 2.217 -13.200 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.736 -14.804 -10.399 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.790 -14.906 -8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.575 -16.787 -10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.014 -17.063 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.373 -16.629 -9.939 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.826 -16.789 -8.254 1.00 0.00 H new ATOM 511 N GLU A 31 1.681 -11.988 -10.699 1.00 0.00 N ATOM 512 CA GLU A 31 1.413 -11.194 -11.885 1.00 0.00 C ATOM 513 C GLU A 31 2.264 -9.923 -11.877 1.00 0.00 C ATOM 514 O GLU A 31 2.780 -9.524 -10.834 1.00 0.00 O ATOM 515 CB GLU A 31 -0.075 -10.856 -11.995 1.00 0.00 C ATOM 516 CG GLU A 31 -0.897 -12.103 -12.330 1.00 0.00 C ATOM 517 CD GLU A 31 -0.451 -12.711 -13.661 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.094 -11.917 -14.557 1.00 0.00 O ATOM 519 OE2 GLU A 31 -0.477 -13.958 -13.752 1.00 0.00 O ATOM 0 H GLU A 31 1.865 -11.445 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 31 1.684 -11.784 -12.761 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.425 -10.427 -11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.224 -10.100 -12.766 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.787 -12.840 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.954 -11.843 -12.381 1.00 0.00 H new ATOM 526 N PHE A 32 2.385 -9.322 -13.052 1.00 0.00 N ATOM 527 CA PHE A 32 3.165 -8.104 -13.193 1.00 0.00 C ATOM 528 C PHE A 32 2.522 -6.949 -12.423 1.00 0.00 C ATOM 529 O PHE A 32 1.651 -6.257 -12.948 1.00 0.00 O ATOM 530 CB PHE A 32 3.189 -7.758 -14.683 1.00 0.00 C ATOM 531 CG PHE A 32 3.966 -8.757 -15.542 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.313 -8.632 -15.680 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.310 -9.771 -16.167 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.035 -9.559 -16.477 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.031 -10.699 -16.964 1.00 0.00 C ATOM 536 CZ PHE A 32 5.378 -10.574 -17.102 1.00 0.00 C ATOM 0 H PHE A 32 1.956 -9.656 -13.915 1.00 0.00 H new ATOM 0 HA PHE A 32 4.168 -8.256 -12.795 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.164 -7.701 -15.049 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.628 -6.768 -14.808 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.834 -7.827 -15.183 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.240 -9.871 -16.057 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.105 -9.459 -16.587 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.510 -11.504 -17.461 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.927 -11.280 -17.708 1.00 0.00 H new ATOM 546 N LEU A 33 2.976 -6.776 -11.190 1.00 0.00 N ATOM 547 CA LEU A 33 2.456 -5.717 -10.342 1.00 0.00 C ATOM 548 C LEU A 33 3.518 -4.627 -10.187 1.00 0.00 C ATOM 549 O LEU A 33 4.672 -4.919 -9.880 1.00 0.00 O ATOM 550 CB LEU A 33 1.962 -6.289 -9.012 1.00 0.00 C ATOM 551 CG LEU A 33 0.446 -6.434 -8.867 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.156 -7.143 -10.082 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.086 -7.138 -7.556 1.00 0.00 C ATOM 0 H LEU A 33 3.699 -7.352 -10.758 1.00 0.00 H new ATOM 0 HA LEU A 33 1.586 -5.251 -10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.416 -7.270 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.325 -5.650 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 33 0.009 -5.436 -8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.235 -7.233 -9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.055 -6.565 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.282 -8.136 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.997 -7.229 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.535 -8.131 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.464 -6.556 -6.715 1.00 0.00 H new ATOM 565 N PRO A 34 3.078 -3.359 -10.411 1.00 0.00 N ATOM 566 CA PRO A 34 3.977 -2.224 -10.299 1.00 0.00 C ATOM 567 C PRO A 34 4.270 -1.900 -8.832 1.00 0.00 C ATOM 568 O PRO A 34 3.472 -1.241 -8.167 1.00 0.00 O ATOM 569 CB PRO A 34 3.274 -1.091 -11.028 1.00 0.00 C ATOM 570 CG PRO A 34 1.812 -1.498 -11.119 1.00 0.00 C ATOM 571 CD PRO A 34 1.717 -2.975 -10.776 1.00 0.00 C ATOM 0 HA PRO A 34 4.955 -2.417 -10.740 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.385 -0.151 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.700 -0.941 -12.020 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.208 -0.907 -10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.426 -1.313 -12.122 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.023 -3.147 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.356 -3.556 -11.624 1.00 0.00 H new ATOM 579 N ALA A 35 5.418 -2.377 -8.372 1.00 0.00 N ATOM 580 CA ALA A 35 5.826 -2.146 -6.997 1.00 0.00 C ATOM 581 C ALA A 35 6.968 -1.128 -6.973 1.00 0.00 C ATOM 582 O ALA A 35 8.062 -1.406 -7.462 1.00 0.00 O ATOM 583 CB ALA A 35 6.216 -3.476 -6.350 1.00 0.00 C ATOM 0 H ALA A 35 6.078 -2.922 -8.927 1.00 0.00 H new ATOM 0 HA ALA A 35 5.002 -1.731 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.522 -3.303 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.362 -4.153 -6.366 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.042 -3.921 -6.904 1.00 0.00 H new ATOM 589 N PRO A 36 6.668 0.060 -6.383 1.00 0.00 N ATOM 590 CA PRO A 36 7.657 1.120 -6.289 1.00 0.00 C ATOM 591 C PRO A 36 8.694 0.807 -5.209 1.00 0.00 C ATOM 592 O PRO A 36 8.357 0.707 -4.030 1.00 0.00 O ATOM 593 CB PRO A 36 6.857 2.379 -5.997 1.00 0.00 C ATOM 594 CG PRO A 36 5.508 1.906 -5.480 1.00 0.00 C ATOM 595 CD PRO A 36 5.383 0.424 -5.793 1.00 0.00 C ATOM 0 HA PRO A 36 8.238 1.236 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.363 3.000 -5.258 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.740 2.985 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.429 2.077 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.701 2.465 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.183 -0.156 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.562 0.233 -6.484 1.00 0.00 H new ATOM 603 N GLU A 37 9.935 0.663 -5.650 1.00 0.00 N ATOM 604 CA GLU A 37 11.024 0.364 -4.735 1.00 0.00 C ATOM 605 C GLU A 37 11.733 1.653 -4.314 1.00 0.00 C ATOM 606 O GLU A 37 12.409 2.286 -5.123 1.00 0.00 O ATOM 607 CB GLU A 37 12.010 -0.625 -5.361 1.00 0.00 C ATOM 608 CG GLU A 37 13.082 -1.043 -4.353 1.00 0.00 C ATOM 609 CD GLU A 37 12.914 -2.510 -3.952 1.00 0.00 C ATOM 610 OE1 GLU A 37 12.056 -2.766 -3.079 1.00 0.00 O ATOM 611 OE2 GLU A 37 13.648 -3.343 -4.527 1.00 0.00 O ATOM 0 H GLU A 37 10.211 0.748 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 37 10.606 -0.105 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.473 -1.506 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.482 -0.171 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.071 -0.891 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.020 -0.411 -3.467 1.00 0.00 H new ATOM 618 N ASP A 38 11.554 2.002 -3.049 1.00 0.00 N ATOM 619 CA ASP A 38 12.167 3.204 -2.510 1.00 0.00 C ATOM 620 C ASP A 38 11.740 4.410 -3.349 1.00 0.00 C ATOM 621 O ASP A 38 12.289 4.648 -4.424 1.00 0.00 O ATOM 622 CB ASP A 38 13.694 3.112 -2.558 1.00 0.00 C ATOM 623 CG ASP A 38 14.299 1.970 -1.738 1.00 0.00 C ATOM 624 OD1 ASP A 38 13.509 1.281 -1.057 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.536 1.813 -1.812 1.00 0.00 O ATOM 0 H ASP A 38 10.993 1.473 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 38 11.844 3.312 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.004 2.997 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.111 4.055 -2.203 1.00 0.00 H new ATOM 630 N VAL A 39 10.765 5.138 -2.827 1.00 0.00 N ATOM 631 CA VAL A 39 10.257 6.313 -3.515 1.00 0.00 C ATOM 632 C VAL A 39 10.744 7.571 -2.793 1.00 0.00 C ATOM 633 O VAL A 39 11.115 7.515 -1.622 1.00 0.00 O ATOM 634 CB VAL A 39 8.733 6.239 -3.624 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.306 5.737 -5.005 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.146 5.361 -2.517 1.00 0.00 C ATOM 0 H VAL A 39 10.313 4.937 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 39 10.640 6.353 -4.535 1.00 0.00 H new ATOM 0 HB VAL A 39 8.339 7.247 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.218 5.694 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.678 6.418 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.717 4.742 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.061 5.325 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.551 4.353 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.407 5.779 -1.545 1.00 0.00 H new ATOM 646 N GLU A 40 10.726 8.678 -3.522 1.00 0.00 N ATOM 647 CA GLU A 40 11.161 9.948 -2.966 1.00 0.00 C ATOM 648 C GLU A 40 10.372 10.268 -1.694 1.00 0.00 C ATOM 649 O GLU A 40 9.335 9.661 -1.433 1.00 0.00 O ATOM 650 CB GLU A 40 11.024 11.072 -3.994 1.00 0.00 C ATOM 651 CG GLU A 40 11.824 12.305 -3.568 1.00 0.00 C ATOM 652 CD GLU A 40 12.482 12.976 -4.776 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.810 13.839 -5.381 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.641 12.610 -5.066 1.00 0.00 O ATOM 0 H GLU A 40 10.417 8.721 -4.493 1.00 0.00 H new ATOM 0 HA GLU A 40 12.216 9.866 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.374 10.725 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.973 11.338 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.166 13.015 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.589 12.016 -2.847 1.00 0.00 H new ATOM 661 N THR A 41 10.895 11.221 -0.937 1.00 0.00 N ATOM 662 CA THR A 41 10.253 11.629 0.301 1.00 0.00 C ATOM 663 C THR A 41 8.759 11.869 0.073 1.00 0.00 C ATOM 664 O THR A 41 7.924 11.361 0.820 1.00 0.00 O ATOM 665 CB THR A 41 10.991 12.859 0.834 1.00 0.00 C ATOM 666 OG1 THR A 41 11.901 12.329 1.793 1.00 0.00 O ATOM 667 CG2 THR A 41 10.082 13.780 1.651 1.00 0.00 C ATOM 0 H THR A 41 11.756 11.722 -1.157 1.00 0.00 H new ATOM 0 HA THR A 41 10.313 10.844 1.055 1.00 0.00 H new ATOM 0 HB THR A 41 11.416 13.417 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.422 13.059 2.188 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.656 14.637 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.260 14.127 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.682 13.233 2.505 1.00 0.00 H new ATOM 675 N ASN A 42 8.468 12.643 -0.962 1.00 0.00 N ATOM 676 CA ASN A 42 7.089 12.957 -1.298 1.00 0.00 C ATOM 677 C ASN A 42 6.761 12.379 -2.676 1.00 0.00 C ATOM 678 O ASN A 42 6.344 13.108 -3.575 1.00 0.00 O ATOM 679 CB ASN A 42 6.866 14.469 -1.354 1.00 0.00 C ATOM 680 CG ASN A 42 6.416 15.008 0.006 1.00 0.00 C ATOM 681 OD1 ASN A 42 5.621 14.406 0.708 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.969 16.172 0.336 1.00 0.00 N ATOM 0 H ASN A 42 9.163 13.062 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 42 6.448 12.527 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.787 14.965 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.114 14.702 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.734 16.614 1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.628 16.622 -0.299 1.00 0.00 H new ATOM 689 N CYS A 43 6.961 11.075 -2.799 1.00 0.00 N ATOM 690 CA CYS A 43 6.691 10.391 -4.052 1.00 0.00 C ATOM 691 C CYS A 43 5.776 9.199 -3.762 1.00 0.00 C ATOM 692 O CYS A 43 4.814 8.959 -4.489 1.00 0.00 O ATOM 693 CB CYS A 43 7.982 9.962 -4.752 1.00 0.00 C ATOM 694 SG CYS A 43 7.768 8.679 -6.039 1.00 0.00 S ATOM 0 H CYS A 43 7.307 10.474 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 43 6.191 11.072 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.441 10.840 -5.207 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.680 9.591 -4.001 1.00 0.00 H new ATOM 0 HG CYS A 43 8.931 8.334 -6.505 1.00 0.00 H new ATOM 699 N GLU A 44 6.110 8.484 -2.697 1.00 0.00 N ATOM 700 CA GLU A 44 5.330 7.323 -2.302 1.00 0.00 C ATOM 701 C GLU A 44 3.836 7.608 -2.461 1.00 0.00 C ATOM 702 O GLU A 44 3.055 6.703 -2.752 1.00 0.00 O ATOM 703 CB GLU A 44 5.660 6.904 -0.868 1.00 0.00 C ATOM 704 CG GLU A 44 5.740 8.122 0.054 1.00 0.00 C ATOM 705 CD GLU A 44 4.574 8.139 1.044 1.00 0.00 C ATOM 706 OE1 GLU A 44 4.119 7.032 1.404 1.00 0.00 O ATOM 707 OE2 GLU A 44 4.163 9.259 1.418 1.00 0.00 O ATOM 0 H GLU A 44 6.909 8.686 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 44 5.592 6.493 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.898 6.216 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.609 6.368 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.684 8.108 0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.729 9.035 -0.542 1.00 0.00 H new ATOM 714 N TRP A 45 3.482 8.869 -2.263 1.00 0.00 N ATOM 715 CA TRP A 45 2.094 9.284 -2.380 1.00 0.00 C ATOM 716 C TRP A 45 1.641 9.017 -3.817 1.00 0.00 C ATOM 717 O TRP A 45 0.604 8.394 -4.039 1.00 0.00 O ATOM 718 CB TRP A 45 1.922 10.746 -1.961 1.00 0.00 C ATOM 719 CG TRP A 45 1.813 10.951 -0.449 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.572 11.727 0.335 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.852 10.335 0.435 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.173 11.657 1.655 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.094 10.784 1.717 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.187 9.428 0.160 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.340 10.381 2.825 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -0.932 9.035 1.278 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.701 9.478 2.575 1.00 0.00 C ATOM 0 H TRP A 45 4.132 9.617 -2.022 1.00 0.00 H new ATOM 0 HA TRP A 45 1.461 8.711 -1.703 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.768 11.323 -2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.027 11.147 -2.437 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.393 12.332 -0.020 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.593 12.155 2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.394 9.063 -0.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.550 10.747 3.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.743 8.339 1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.322 9.127 3.386 1.00 0.00 H new ATOM 738 N SER A 46 2.441 9.502 -4.756 1.00 0.00 N ATOM 739 CA SER A 46 2.134 9.323 -6.165 1.00 0.00 C ATOM 740 C SER A 46 2.315 7.855 -6.558 1.00 0.00 C ATOM 741 O SER A 46 1.826 7.423 -7.600 1.00 0.00 O ATOM 742 CB SER A 46 3.016 10.218 -7.038 1.00 0.00 C ATOM 743 OG SER A 46 3.188 11.514 -6.471 1.00 0.00 O ATOM 0 H SER A 46 3.301 10.018 -4.569 1.00 0.00 H new ATOM 0 HA SER A 46 1.095 9.611 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.991 9.748 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.570 10.312 -8.028 1.00 0.00 H new ATOM 0 HG SER A 46 3.758 12.054 -7.057 1.00 0.00 H new ATOM 749 N ALA A 47 3.019 7.129 -5.702 1.00 0.00 N ATOM 750 CA ALA A 47 3.271 5.719 -5.946 1.00 0.00 C ATOM 751 C ALA A 47 2.107 4.894 -5.392 1.00 0.00 C ATOM 752 O ALA A 47 1.772 3.843 -5.936 1.00 0.00 O ATOM 753 CB ALA A 47 4.612 5.324 -5.325 1.00 0.00 C ATOM 0 H ALA A 47 3.423 7.491 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 47 3.337 5.521 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.800 4.266 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.409 5.917 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.583 5.506 -4.251 1.00 0.00 H new ATOM 759 N PHE A 48 1.522 5.402 -4.317 1.00 0.00 N ATOM 760 CA PHE A 48 0.403 4.726 -3.684 1.00 0.00 C ATOM 761 C PHE A 48 -0.612 4.252 -4.726 1.00 0.00 C ATOM 762 O PHE A 48 -1.357 3.303 -4.485 1.00 0.00 O ATOM 763 CB PHE A 48 -0.270 5.743 -2.760 1.00 0.00 C ATOM 764 CG PHE A 48 -1.340 5.142 -1.847 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.620 5.020 -2.288 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.010 4.728 -0.594 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.613 4.462 -1.440 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.003 4.170 0.254 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.284 4.049 -0.187 1.00 0.00 C ATOM 0 H PHE A 48 1.802 6.274 -3.869 1.00 0.00 H new ATOM 0 HA PHE A 48 0.758 3.852 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.493 6.219 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.724 6.526 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.882 5.347 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.007 4.824 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.630 4.366 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.741 3.842 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.040 3.625 0.458 1.00 0.00 H new ATOM 779 N SER A 49 -0.608 4.933 -5.862 1.00 0.00 N ATOM 780 CA SER A 49 -1.519 4.593 -6.942 1.00 0.00 C ATOM 781 C SER A 49 -1.128 3.245 -7.551 1.00 0.00 C ATOM 782 O SER A 49 -1.992 2.421 -7.848 1.00 0.00 O ATOM 783 CB SER A 49 -1.526 5.680 -8.019 1.00 0.00 C ATOM 784 OG SER A 49 -0.262 5.801 -8.665 1.00 0.00 O ATOM 0 H SER A 49 0.012 5.719 -6.058 1.00 0.00 H new ATOM 0 HA SER A 49 -2.526 4.520 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.291 5.450 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.795 6.635 -7.568 1.00 0.00 H new ATOM 0 HG SER A 49 0.314 6.400 -8.146 1.00 0.00 H new ATOM 790 N CYS A 50 0.173 3.063 -7.720 1.00 0.00 N ATOM 791 CA CYS A 50 0.688 1.829 -8.289 1.00 0.00 C ATOM 792 C CYS A 50 0.066 0.655 -7.532 1.00 0.00 C ATOM 793 O CYS A 50 -0.427 -0.292 -8.144 1.00 0.00 O ATOM 794 CB CYS A 50 2.217 1.785 -8.253 1.00 0.00 C ATOM 795 SG CYS A 50 3.041 2.556 -9.694 1.00 0.00 S ATOM 0 H CYS A 50 0.886 3.749 -7.473 1.00 0.00 H new ATOM 0 HA CYS A 50 0.413 1.768 -9.342 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.560 2.284 -7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.535 0.745 -8.184 1.00 0.00 H new ATOM 0 HG CYS A 50 4.330 2.464 -9.557 1.00 0.00 H new ATOM 800 N PHE A 51 0.108 0.754 -6.211 1.00 0.00 N ATOM 801 CA PHE A 51 -0.445 -0.289 -5.364 1.00 0.00 C ATOM 802 C PHE A 51 -1.957 -0.412 -5.564 1.00 0.00 C ATOM 803 O PHE A 51 -2.541 -1.458 -5.284 1.00 0.00 O ATOM 804 CB PHE A 51 -0.166 0.116 -3.916 1.00 0.00 C ATOM 805 CG PHE A 51 1.309 0.022 -3.517 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.865 -1.190 -3.250 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.062 1.151 -3.429 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.233 -1.277 -2.880 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.431 1.064 -3.060 1.00 0.00 C ATOM 810 CZ PHE A 51 3.987 -0.148 -2.793 1.00 0.00 C ATOM 0 H PHE A 51 0.517 1.541 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 51 0.007 -1.249 -5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.509 1.139 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.753 -0.519 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.266 -2.086 -3.319 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.619 2.113 -3.640 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.675 -2.239 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.030 1.960 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.028 -0.214 -2.512 1.00 0.00 H new ATOM 820 N GLN A 52 -2.548 0.671 -6.047 1.00 0.00 N ATOM 821 CA GLN A 52 -3.981 0.697 -6.287 1.00 0.00 C ATOM 822 C GLN A 52 -4.306 0.038 -7.629 1.00 0.00 C ATOM 823 O GLN A 52 -5.292 -0.688 -7.746 1.00 0.00 O ATOM 824 CB GLN A 52 -4.520 2.128 -6.234 1.00 0.00 C ATOM 825 CG GLN A 52 -5.295 2.375 -4.938 1.00 0.00 C ATOM 826 CD GLN A 52 -6.787 2.564 -5.219 1.00 0.00 C ATOM 827 OE1 GLN A 52 -7.532 1.618 -5.418 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.180 3.834 -5.224 1.00 0.00 N ATOM 0 H GLN A 52 -2.061 1.537 -6.279 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.473 0.129 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.693 2.835 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.170 2.307 -7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.153 1.534 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.901 3.259 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.504 4.578 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.158 4.065 -5.402 1.00 0.00 H new ATOM 837 N LYS A 53 -3.459 0.316 -8.609 1.00 0.00 N ATOM 838 CA LYS A 53 -3.644 -0.241 -9.939 1.00 0.00 C ATOM 839 C LYS A 53 -3.153 -1.690 -9.953 1.00 0.00 C ATOM 840 O LYS A 53 -3.708 -2.530 -10.660 1.00 0.00 O ATOM 841 CB LYS A 53 -2.972 0.646 -10.989 1.00 0.00 C ATOM 842 CG LYS A 53 -2.821 -0.097 -12.318 1.00 0.00 C ATOM 843 CD LYS A 53 -1.345 -0.284 -12.677 1.00 0.00 C ATOM 844 CE LYS A 53 -0.745 1.013 -13.223 1.00 0.00 C ATOM 845 NZ LYS A 53 -0.735 0.996 -14.703 1.00 0.00 N ATOM 0 H LYS A 53 -2.643 0.920 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.702 -0.260 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.562 1.550 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.992 0.961 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.309 -1.069 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.324 0.459 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.790 -0.602 -11.795 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.245 -1.076 -13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.323 1.866 -12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.271 1.137 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.325 1.883 -15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.165 0.193 -15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.709 0.900 -15.056 1.00 0.00 H new ATOM 859 N ALA A 54 -2.119 -1.939 -9.163 1.00 0.00 N ATOM 860 CA ALA A 54 -1.548 -3.272 -9.076 1.00 0.00 C ATOM 861 C ALA A 54 -2.675 -4.306 -9.065 1.00 0.00 C ATOM 862 O ALA A 54 -2.699 -5.213 -9.895 1.00 0.00 O ATOM 863 CB ALA A 54 -0.658 -3.366 -7.834 1.00 0.00 C ATOM 0 H ALA A 54 -1.662 -1.240 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.921 -3.478 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.229 -4.366 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.144 -2.631 -7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.254 -3.168 -6.943 1.00 0.00 H new ATOM 869 N GLN A 55 -3.583 -4.134 -8.115 1.00 0.00 N ATOM 870 CA GLN A 55 -4.711 -5.041 -7.984 1.00 0.00 C ATOM 871 C GLN A 55 -4.225 -6.440 -7.599 1.00 0.00 C ATOM 872 O GLN A 55 -3.897 -7.248 -8.466 1.00 0.00 O ATOM 873 CB GLN A 55 -5.533 -5.082 -9.274 1.00 0.00 C ATOM 874 CG GLN A 55 -6.692 -6.074 -9.154 1.00 0.00 C ATOM 875 CD GLN A 55 -7.362 -6.301 -10.511 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.728 -6.639 -11.496 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.676 -6.097 -10.506 1.00 0.00 N ATOM 0 H GLN A 55 -3.560 -3.380 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.360 -4.672 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.922 -4.088 -9.493 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.892 -5.365 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.324 -7.023 -8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.425 -5.698 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.145 -5.815 -9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.215 -6.223 -11.363 1.00 0.00 H new ATOM 886 N LEU A 56 -4.195 -6.683 -6.296 1.00 0.00 N ATOM 887 CA LEU A 56 -3.755 -7.970 -5.785 1.00 0.00 C ATOM 888 C LEU A 56 -4.835 -9.019 -6.060 1.00 0.00 C ATOM 889 O LEU A 56 -5.992 -8.836 -5.686 1.00 0.00 O ATOM 890 CB LEU A 56 -3.369 -7.857 -4.309 1.00 0.00 C ATOM 891 CG LEU A 56 -2.938 -9.156 -3.627 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.138 -10.074 -3.386 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.834 -9.854 -4.425 1.00 0.00 C ATOM 0 H LEU A 56 -4.468 -6.010 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.853 -8.297 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.556 -7.137 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.218 -7.447 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.522 -8.907 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.803 -10.990 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.861 -9.567 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.606 -10.319 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.546 -10.775 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.200 -10.089 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.969 -9.196 -4.501 1.00 0.00 H new ATOM 905 N LYS A 57 -4.418 -10.094 -6.711 1.00 0.00 N ATOM 906 CA LYS A 57 -5.334 -11.173 -7.040 1.00 0.00 C ATOM 907 C LYS A 57 -4.824 -12.477 -6.423 1.00 0.00 C ATOM 908 O LYS A 57 -3.619 -12.659 -6.257 1.00 0.00 O ATOM 909 CB LYS A 57 -5.549 -11.250 -8.553 1.00 0.00 C ATOM 910 CG LYS A 57 -6.918 -11.850 -8.882 1.00 0.00 C ATOM 911 CD LYS A 57 -8.006 -10.774 -8.864 1.00 0.00 C ATOM 912 CE LYS A 57 -9.400 -11.405 -8.823 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.878 -11.696 -10.193 1.00 0.00 N ATOM 0 H LYS A 57 -3.457 -10.241 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.318 -10.982 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.471 -10.253 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.764 -11.856 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.885 -12.323 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.160 -12.630 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.870 -10.128 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.914 -10.144 -9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.372 -12.324 -8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.096 -10.731 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.825 -12.124 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.923 -10.813 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.222 -12.357 -10.657 1.00 0.00 H new ATOM 927 N SER A 58 -5.766 -13.350 -6.101 1.00 0.00 N ATOM 928 CA SER A 58 -5.427 -14.632 -5.506 1.00 0.00 C ATOM 929 C SER A 58 -5.410 -15.720 -6.582 1.00 0.00 C ATOM 930 O SER A 58 -6.055 -15.581 -7.620 1.00 0.00 O ATOM 931 CB SER A 58 -6.410 -15.001 -4.394 1.00 0.00 C ATOM 932 OG SER A 58 -7.762 -14.756 -4.774 1.00 0.00 O ATOM 0 H SER A 58 -6.764 -13.195 -6.241 1.00 0.00 H new ATOM 0 HA SER A 58 -4.434 -14.551 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.290 -16.054 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.176 -14.427 -3.498 1.00 0.00 H new ATOM 0 HG SER A 58 -8.291 -14.536 -3.979 1.00 0.00 H new ATOM 938 N ALA A 59 -4.665 -16.778 -6.297 1.00 0.00 N ATOM 939 CA ALA A 59 -4.556 -17.888 -7.227 1.00 0.00 C ATOM 940 C ALA A 59 -5.956 -18.405 -7.565 1.00 0.00 C ATOM 941 O ALA A 59 -6.146 -19.075 -8.579 1.00 0.00 O ATOM 942 CB ALA A 59 -3.664 -18.975 -6.623 1.00 0.00 C ATOM 0 H ALA A 59 -4.131 -16.890 -5.435 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.091 -17.564 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.582 -19.808 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.673 -18.566 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.101 -19.326 -5.688 1.00 0.00 H new ATOM 948 N ASN A 60 -6.900 -18.073 -6.697 1.00 0.00 N ATOM 949 CA ASN A 60 -8.276 -18.495 -6.890 1.00 0.00 C ATOM 950 C ASN A 60 -8.349 -20.022 -6.844 1.00 0.00 C ATOM 951 O ASN A 60 -8.970 -20.645 -7.704 1.00 0.00 O ATOM 952 CB ASN A 60 -8.806 -18.038 -8.251 1.00 0.00 C ATOM 953 CG ASN A 60 -8.041 -16.812 -8.754 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.065 -16.911 -9.479 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.538 -15.653 -8.330 1.00 0.00 N ATOM 0 H ASN A 60 -6.739 -17.516 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.879 -18.049 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.714 -18.850 -8.972 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.867 -17.802 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.099 -14.776 -8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.358 -15.641 -7.724 1.00 0.00 H new ATOM 997 N ASN A 64 -9.575 -18.938 1.194 1.00 0.00 N ATOM 998 CA ASN A 64 -9.114 -17.582 1.436 1.00 0.00 C ATOM 999 C ASN A 64 -9.494 -16.698 0.247 1.00 0.00 C ATOM 1000 O ASN A 64 -9.714 -15.498 0.405 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.592 -17.537 1.590 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.103 -18.646 2.523 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.779 -19.055 3.452 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.892 -19.109 2.225 1.00 0.00 N ATOM 0 HA ASN A 64 -9.581 -17.227 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.121 -17.644 0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.291 -16.566 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.477 -19.851 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.379 -18.722 1.433 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.561 -17.326 -0.918 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.912 -16.612 -2.134 1.00 0.00 C ATOM 1013 C GLU A 65 -10.981 -15.557 -1.841 1.00 0.00 C ATOM 1014 O GLU A 65 -10.901 -14.433 -2.334 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.380 -17.579 -3.223 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.878 -16.820 -4.454 1.00 0.00 C ATOM 1017 CD GLU A 65 -12.403 -16.706 -4.449 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.988 -16.962 -3.374 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.951 -16.366 -5.520 1.00 0.00 O ATOM 0 H GLU A 65 -9.378 -18.321 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.021 -16.105 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.559 -18.239 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.178 -18.212 -2.834 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.436 -15.824 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.551 -17.333 -5.359 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.957 -15.958 -1.040 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.041 -15.061 -0.675 1.00 0.00 C ATOM 1028 C ARG A 66 -12.541 -13.993 0.299 1.00 0.00 C ATOM 1029 O ARG A 66 -12.690 -12.798 0.046 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.198 -15.829 -0.031 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.328 -14.880 0.372 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.035 -14.315 -0.862 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.043 -15.281 -1.355 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.788 -16.235 -2.260 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -15.558 -16.357 -2.778 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.764 -17.067 -2.649 1.00 0.00 N ATOM 0 H ARG A 66 -12.020 -16.891 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.400 -14.585 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.577 -16.576 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.839 -16.366 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.047 -15.410 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.926 -14.063 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.517 -13.369 -0.614 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.306 -14.106 -1.645 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.990 -15.216 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.815 -15.723 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.365 -17.084 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.701 -16.974 -2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.570 -17.794 -3.338 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.959 -14.461 1.393 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.437 -13.561 2.407 1.00 0.00 C ATOM 1052 C ILE A 67 -10.519 -12.531 1.744 1.00 0.00 C ATOM 1053 O ILE A 67 -10.616 -11.337 2.024 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.763 -14.352 3.530 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.042 -13.715 4.893 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.264 -14.510 3.267 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.000 -12.643 5.221 1.00 0.00 C ATOM 0 H ILE A 67 -11.837 -15.452 1.600 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.249 -13.008 2.880 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.193 -15.353 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.038 -13.272 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.034 -14.483 5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.810 -15.076 4.080 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.113 -15.041 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.800 -13.526 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.221 -12.206 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.008 -13.094 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.027 -11.864 4.459 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.650 -13.031 0.879 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.716 -12.170 0.174 1.00 0.00 C ATOM 1071 C ILE A 68 -9.468 -10.962 -0.389 1.00 0.00 C ATOM 1072 O ILE A 68 -8.953 -9.845 -0.377 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.948 -12.964 -0.885 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.534 -13.295 -0.404 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.940 -12.225 -2.225 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.558 -14.412 0.642 1.00 0.00 C ATOM 0 H ILE A 68 -9.573 -14.022 0.650 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.961 -11.786 0.860 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.464 -13.911 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.919 -13.599 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.073 -12.404 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.388 -12.811 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.965 -12.084 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.462 -11.253 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.540 -14.628 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.153 -14.096 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.998 -15.309 0.206 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.674 -11.227 -0.868 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.502 -10.175 -1.434 1.00 0.00 C ATOM 1090 C ASN A 69 -11.587 -9.011 -0.445 1.00 0.00 C ATOM 1091 O ASN A 69 -11.870 -7.879 -0.835 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.924 -10.676 -1.698 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.717 -9.662 -2.524 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.252 -8.579 -2.839 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.938 -10.072 -2.857 1.00 0.00 N ATOM 0 H ASN A 69 -11.098 -12.155 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.050 -9.859 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.886 -11.629 -2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.432 -10.856 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.546 -9.467 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.266 -10.991 -2.561 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.336 -9.329 0.817 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.381 -8.323 1.865 1.00 0.00 C ATOM 1104 C VAL A 70 -10.123 -7.455 1.787 1.00 0.00 C ATOM 1105 O VAL A 70 -10.168 -6.262 2.083 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.560 -8.995 3.228 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.599 -10.115 3.154 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.225 -9.520 3.760 1.00 0.00 C ATOM 0 H VAL A 70 -11.101 -10.269 1.137 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.239 -7.665 1.727 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.927 -8.243 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.707 -10.576 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.557 -9.702 2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.274 -10.866 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.380 -9.993 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.817 -10.250 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.525 -8.691 3.868 1.00 0.00 H new ATOM 1118 N SER A 71 -9.030 -8.088 1.386 1.00 0.00 N ATOM 1119 CA SER A 71 -7.762 -7.389 1.266 1.00 0.00 C ATOM 1120 C SER A 71 -7.744 -6.556 -0.018 1.00 0.00 C ATOM 1121 O SER A 71 -6.909 -5.666 -0.173 1.00 0.00 O ATOM 1122 CB SER A 71 -6.588 -8.370 1.278 1.00 0.00 C ATOM 1123 OG SER A 71 -6.636 -9.246 2.401 1.00 0.00 O ATOM 0 H SER A 71 -8.997 -9.077 1.140 1.00 0.00 H new ATOM 0 HA SER A 71 -7.655 -6.726 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.597 -8.957 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.651 -7.814 1.292 1.00 0.00 H new ATOM 0 HG SER A 71 -6.692 -10.174 2.090 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.676 -6.873 -0.904 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.778 -6.165 -2.169 1.00 0.00 C ATOM 1131 C ILE A 72 -9.563 -4.869 -1.961 1.00 0.00 C ATOM 1132 O ILE A 72 -9.012 -3.777 -2.095 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.369 -7.076 -3.247 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.401 -8.207 -3.601 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.784 -6.269 -4.479 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.951 -9.062 -4.744 1.00 0.00 C ATOM 0 H ILE A 72 -9.368 -7.611 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.788 -5.884 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.271 -7.539 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.436 -7.788 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.230 -8.832 -2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.201 -6.940 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.534 -5.531 -4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.913 -5.760 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.244 -9.858 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.904 -9.499 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.098 -8.439 -5.626 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.837 -5.032 -1.637 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.704 -3.888 -1.409 1.00 0.00 C ATOM 1150 C LYS A 73 -10.933 -2.816 -0.635 1.00 0.00 C ATOM 1151 O LYS A 73 -11.113 -1.623 -0.875 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.001 -4.326 -0.726 1.00 0.00 C ATOM 1153 CG LYS A 73 -12.712 -5.246 0.461 1.00 0.00 C ATOM 1154 CD LYS A 73 -13.481 -4.795 1.704 1.00 0.00 C ATOM 1155 CE LYS A 73 -14.395 -5.910 2.218 1.00 0.00 C ATOM 1156 NZ LYS A 73 -15.801 -5.451 2.258 1.00 0.00 N ATOM 0 H LYS A 73 -11.290 -5.939 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.005 -3.443 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.551 -3.449 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.638 -4.842 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.990 -6.269 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.643 -5.249 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.778 -4.506 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.075 -3.912 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.310 -6.784 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.078 -6.217 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.407 -6.220 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.880 -4.630 2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.105 -5.180 1.301 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.092 -3.280 0.277 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.293 -2.376 1.087 1.00 0.00 C ATOM 1172 C LYS A 74 -8.078 -1.914 0.281 1.00 0.00 C ATOM 1173 O LYS A 74 -7.903 -0.720 0.044 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.933 -3.030 2.423 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.341 -2.138 3.597 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.838 -2.264 3.887 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.501 -0.886 3.955 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.672 -0.462 5.363 1.00 0.00 N ATOM 0 H LYS A 74 -9.946 -4.270 0.473 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.866 -1.484 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.431 -3.996 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.860 -3.220 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.771 -2.414 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.097 -1.100 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.314 -2.862 3.110 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.986 -2.790 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.893 -0.156 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.471 -0.917 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.123 0.475 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.271 -1.150 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.742 -0.412 5.826 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.269 -2.885 -0.118 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.075 -2.593 -0.893 1.00 0.00 C ATOM 1194 C LEU A 75 -6.397 -1.521 -1.935 1.00 0.00 C ATOM 1195 O LEU A 75 -5.543 -0.703 -2.275 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.497 -3.878 -1.490 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.378 -3.695 -2.518 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.064 -4.290 -2.009 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.781 -4.273 -3.876 1.00 0.00 C ATOM 0 H LEU A 75 -7.417 -3.874 0.081 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.294 -2.187 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.118 -4.495 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.308 -4.434 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.215 -2.627 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.285 -4.147 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.773 -3.792 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.196 -5.356 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.968 -4.130 -4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.988 -5.338 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.674 -3.764 -4.238 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.632 -1.559 -2.413 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.079 -0.600 -3.410 1.00 0.00 C ATOM 1213 C LYS A 76 -8.467 0.707 -2.716 1.00 0.00 C ATOM 1214 O LYS A 76 -9.577 1.205 -2.899 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.197 -1.198 -4.265 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.625 -1.940 -5.475 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.745 -2.512 -6.347 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.552 -2.122 -7.814 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.324 -0.900 -8.131 1.00 0.00 N ATOM 0 H LYS A 76 -8.337 -2.239 -2.129 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.271 -0.366 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.794 -1.883 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.865 -0.406 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.010 -1.261 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.974 -2.747 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.763 -3.598 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.709 -2.146 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.494 -1.954 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.873 -2.940 -8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.182 -0.649 -9.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.335 -1.073 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.999 -0.118 -7.528 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.531 1.226 -1.934 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.761 2.465 -1.213 1.00 0.00 C ATOM 1235 C ARG A 77 -7.322 3.662 -2.059 1.00 0.00 C ATOM 1236 O ARG A 77 -6.389 3.556 -2.853 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.999 2.480 0.114 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.958 2.627 1.296 1.00 0.00 C ATOM 1239 CD ARG A 77 -7.348 3.504 2.392 1.00 0.00 C ATOM 1240 NE ARG A 77 -7.897 4.876 2.307 1.00 0.00 N ATOM 1241 CZ ARG A 77 -9.194 5.177 2.458 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.083 4.204 2.702 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -9.603 6.449 2.364 1.00 0.00 N ATOM 0 H ARG A 77 -6.612 0.810 -1.785 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.829 2.534 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.426 1.559 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.284 3.302 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.896 3.065 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.194 1.643 1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.563 3.078 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.263 3.530 2.287 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.247 5.640 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.772 3.235 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.070 4.432 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.927 7.190 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.591 6.677 2.479 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.015 4.773 -1.859 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.709 5.989 -2.594 1.00 0.00 C ATOM 1259 C LYS A 78 -6.718 6.831 -1.788 1.00 0.00 C ATOM 1260 O LYS A 78 -6.698 6.766 -0.560 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.995 6.733 -2.959 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.717 7.228 -1.704 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.782 8.756 -1.676 1.00 0.00 C ATOM 1264 CE LYS A 78 -11.176 9.252 -2.066 1.00 0.00 C ATOM 1265 NZ LYS A 78 -11.076 10.390 -3.008 1.00 0.00 N ATOM 0 H LYS A 78 -8.788 4.857 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.227 5.750 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.759 7.579 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.653 6.073 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.726 6.817 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.199 6.866 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.530 9.116 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.041 9.168 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.742 8.441 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.723 9.558 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.031 10.715 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.554 11.169 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.573 10.087 -3.866 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.899 7.622 -2.531 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.908 8.476 -1.898 1.00 0.00 C ATOM 1281 C PRO A 79 -5.567 9.700 -1.258 1.00 0.00 C ATOM 1282 O PRO A 79 -6.770 9.909 -1.404 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.934 8.838 -3.008 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.665 8.560 -4.311 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.894 7.725 -3.987 1.00 0.00 C ATOM 0 HA PRO A 79 -4.389 7.981 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.638 9.885 -2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.023 8.244 -2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.954 9.494 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.016 8.029 -5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.804 8.201 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.839 6.741 -4.453 1.00 0.00 H new ATOM 1628 N LYS A 102 8.370 -4.371 -12.545 1.00 0.00 N ATOM 1629 CA LYS A 102 7.281 -5.011 -11.827 1.00 0.00 C ATOM 1630 C LYS A 102 7.851 -5.833 -10.670 1.00 0.00 C ATOM 1631 O LYS A 102 9.029 -5.708 -10.336 1.00 0.00 O ATOM 1632 CB LYS A 102 6.411 -5.824 -12.788 1.00 0.00 C ATOM 1633 CG LYS A 102 5.792 -4.926 -13.862 1.00 0.00 C ATOM 1634 CD LYS A 102 4.972 -3.800 -13.229 1.00 0.00 C ATOM 1635 CE LYS A 102 5.676 -2.451 -13.389 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.884 -1.554 -14.260 1.00 0.00 N ATOM 0 HA LYS A 102 6.621 -4.262 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.013 -6.600 -13.261 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.621 -6.328 -12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.580 -4.501 -14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.155 -5.521 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.987 -3.757 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.816 -4.010 -12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.816 -1.989 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.668 -2.600 -13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.172 -0.568 -14.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.050 -1.802 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.873 -1.661 -14.040 1.00 0.00 H new ATOM 1650 N LYS A 103 6.990 -6.655 -10.088 1.00 0.00 N ATOM 1651 CA LYS A 103 7.393 -7.497 -8.975 1.00 0.00 C ATOM 1652 C LYS A 103 6.245 -8.441 -8.613 1.00 0.00 C ATOM 1653 O LYS A 103 5.131 -8.288 -9.111 1.00 0.00 O ATOM 1654 CB LYS A 103 7.878 -6.640 -7.804 1.00 0.00 C ATOM 1655 CG LYS A 103 9.398 -6.727 -7.652 1.00 0.00 C ATOM 1656 CD LYS A 103 9.955 -5.467 -6.988 1.00 0.00 C ATOM 1657 CE LYS A 103 10.995 -4.789 -7.883 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.438 -3.509 -7.286 1.00 0.00 N ATOM 0 H LYS A 103 6.014 -6.756 -10.367 1.00 0.00 H new ATOM 0 HA LYS A 103 8.241 -8.121 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.584 -5.602 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.398 -6.971 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.658 -7.602 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.858 -6.860 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.142 -4.772 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.407 -5.726 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.852 -5.449 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.571 -4.609 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 11.847 -2.904 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.624 -3.027 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.155 -3.696 -6.557 1.00 0.00 H new ATOM 1672 N PRO A 104 6.565 -9.422 -7.727 1.00 0.00 N ATOM 1673 CA PRO A 104 5.574 -10.391 -7.293 1.00 0.00 C ATOM 1674 C PRO A 104 4.594 -9.765 -6.298 1.00 0.00 C ATOM 1675 O PRO A 104 4.771 -8.621 -5.883 1.00 0.00 O ATOM 1676 CB PRO A 104 6.377 -11.535 -6.695 1.00 0.00 C ATOM 1677 CG PRO A 104 7.753 -10.965 -6.394 1.00 0.00 C ATOM 1678 CD PRO A 104 7.875 -9.633 -7.117 1.00 0.00 C ATOM 0 HA PRO A 104 4.948 -10.747 -8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.904 -11.912 -5.789 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.444 -12.371 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.883 -10.830 -5.320 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.532 -11.652 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.124 -8.828 -6.425 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.663 -9.662 -7.870 1.00 0.00 H new ATOM 1686 N PRO A 105 3.554 -10.563 -5.936 1.00 0.00 N ATOM 1687 CA PRO A 105 2.545 -10.098 -4.999 1.00 0.00 C ATOM 1688 C PRO A 105 3.087 -10.096 -3.568 1.00 0.00 C ATOM 1689 O PRO A 105 2.939 -9.111 -2.846 1.00 0.00 O ATOM 1690 CB PRO A 105 1.369 -11.042 -5.187 1.00 0.00 C ATOM 1691 CG PRO A 105 1.929 -12.273 -5.882 1.00 0.00 C ATOM 1692 CD PRO A 105 3.311 -11.923 -6.408 1.00 0.00 C ATOM 0 HA PRO A 105 2.244 -9.067 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.922 -11.304 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.587 -10.577 -5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.986 -13.111 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.276 -12.580 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.065 -12.614 -6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.346 -11.977 -7.496 1.00 0.00 H new ATOM 1700 N LYS A 106 3.702 -11.211 -3.200 1.00 0.00 N ATOM 1701 CA LYS A 106 4.266 -11.349 -1.869 1.00 0.00 C ATOM 1702 C LYS A 106 5.052 -10.084 -1.518 1.00 0.00 C ATOM 1703 O LYS A 106 4.718 -9.388 -0.560 1.00 0.00 O ATOM 1704 CB LYS A 106 5.092 -12.634 -1.768 1.00 0.00 C ATOM 1705 CG LYS A 106 6.062 -12.756 -2.945 1.00 0.00 C ATOM 1706 CD LYS A 106 6.121 -14.196 -3.459 1.00 0.00 C ATOM 1707 CE LYS A 106 6.734 -15.127 -2.412 1.00 0.00 C ATOM 1708 NZ LYS A 106 6.108 -16.466 -2.479 1.00 0.00 N ATOM 0 H LYS A 106 3.822 -12.027 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 106 3.473 -11.447 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.649 -12.640 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.427 -13.497 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.748 -12.091 -3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.057 -12.435 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 106 5.117 -14.537 -3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.710 -14.235 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.808 -15.213 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.597 -14.705 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.536 -17.086 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 5.087 -16.381 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.260 -16.874 -3.424 1.00 0.00 H new ATOM 1722 N GLU A 107 6.080 -9.825 -2.312 1.00 0.00 N ATOM 1723 CA GLU A 107 6.915 -8.656 -2.097 1.00 0.00 C ATOM 1724 C GLU A 107 6.084 -7.378 -2.227 1.00 0.00 C ATOM 1725 O GLU A 107 6.110 -6.524 -1.342 1.00 0.00 O ATOM 1726 CB GLU A 107 8.098 -8.641 -3.067 1.00 0.00 C ATOM 1727 CG GLU A 107 9.176 -9.636 -2.633 1.00 0.00 C ATOM 1728 CD GLU A 107 10.500 -8.922 -2.351 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.784 -7.946 -3.077 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.197 -9.369 -1.415 1.00 0.00 O ATOM 0 H GLU A 107 6.354 -10.405 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 107 7.317 -8.703 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.753 -8.888 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.522 -7.638 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.847 -10.167 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.321 -10.384 -3.413 1.00 0.00 H new ATOM 1737 N PHE A 108 5.365 -7.288 -3.336 1.00 0.00 N ATOM 1738 CA PHE A 108 4.528 -6.129 -3.593 1.00 0.00 C ATOM 1739 C PHE A 108 3.690 -5.774 -2.363 1.00 0.00 C ATOM 1740 O PHE A 108 3.422 -4.601 -2.107 1.00 0.00 O ATOM 1741 CB PHE A 108 3.590 -6.501 -4.744 1.00 0.00 C ATOM 1742 CG PHE A 108 2.415 -5.538 -4.925 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.646 -4.213 -5.125 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.139 -6.008 -4.887 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.555 -3.320 -5.293 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.048 -5.115 -5.054 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.279 -3.789 -5.254 1.00 0.00 C ATOM 0 H PHE A 108 5.345 -7.999 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 108 5.150 -5.268 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.164 -6.536 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.201 -7.505 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.659 -3.840 -5.156 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.956 -7.061 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.739 -2.268 -5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.965 -5.488 -5.022 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.551 -3.109 -5.382 1.00 0.00 H new ATOM 1757 N LEU A 109 3.299 -6.810 -1.635 1.00 0.00 N ATOM 1758 CA LEU A 109 2.497 -6.622 -0.438 1.00 0.00 C ATOM 1759 C LEU A 109 3.417 -6.301 0.742 1.00 0.00 C ATOM 1760 O LEU A 109 3.111 -5.427 1.552 1.00 0.00 O ATOM 1761 CB LEU A 109 1.595 -7.835 -0.201 1.00 0.00 C ATOM 1762 CG LEU A 109 0.243 -7.815 -0.917 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.419 -6.441 -0.799 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.387 -8.259 -2.374 1.00 0.00 C ATOM 0 H LEU A 109 3.523 -7.782 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 109 1.825 -5.773 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.135 -8.730 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.415 -7.926 0.870 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.414 -8.533 -0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.378 -6.454 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.577 -6.202 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.226 -5.686 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.589 -8.236 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.068 -7.585 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.785 -9.273 -2.408 1.00 0.00 H new ATOM 1776 N GLU A 110 4.525 -7.025 0.801 1.00 0.00 N ATOM 1777 CA GLU A 110 5.491 -6.828 1.869 1.00 0.00 C ATOM 1778 C GLU A 110 6.102 -5.427 1.780 1.00 0.00 C ATOM 1779 O GLU A 110 6.608 -4.903 2.771 1.00 0.00 O ATOM 1780 CB GLU A 110 6.579 -7.903 1.829 1.00 0.00 C ATOM 1781 CG GLU A 110 7.390 -7.910 3.126 1.00 0.00 C ATOM 1782 CD GLU A 110 8.719 -8.645 2.937 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.663 -9.820 2.515 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.761 -8.015 3.220 1.00 0.00 O ATOM 0 H GLU A 110 4.775 -7.749 0.127 1.00 0.00 H new ATOM 0 HA GLU A 110 4.972 -6.918 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.123 -8.881 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.242 -7.724 0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.579 -6.885 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.814 -8.390 3.917 1.00 0.00 H new ATOM 1791 N ARG A 111 6.035 -4.862 0.584 1.00 0.00 N ATOM 1792 CA ARG A 111 6.574 -3.533 0.353 1.00 0.00 C ATOM 1793 C ARG A 111 5.496 -2.474 0.588 1.00 0.00 C ATOM 1794 O ARG A 111 5.749 -1.456 1.231 1.00 0.00 O ATOM 1795 CB ARG A 111 7.111 -3.396 -1.074 1.00 0.00 C ATOM 1796 CG ARG A 111 8.248 -2.375 -1.136 1.00 0.00 C ATOM 1797 CD ARG A 111 9.599 -3.068 -1.324 1.00 0.00 C ATOM 1798 NE ARG A 111 10.551 -2.612 -0.286 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.609 -3.116 0.954 1.00 0.00 C ATOM 1800 NH1 ARG A 111 9.771 -4.096 1.319 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.505 -2.640 1.829 1.00 0.00 N ATOM 0 H ARG A 111 5.615 -5.300 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 111 7.395 -3.383 1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.467 -4.364 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.306 -3.090 -1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.074 -1.681 -1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.262 -1.785 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.474 -4.149 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.995 -2.847 -2.315 1.00 0.00 H new ATOM 0 HE ARG A 111 11.204 -1.867 -0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.089 -4.458 0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.815 -4.480 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.143 -1.894 1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.549 -3.024 2.773 1.00 0.00 H new ATOM 1815 N PHE A 112 4.315 -2.749 0.054 1.00 0.00 N ATOM 1816 CA PHE A 112 3.196 -1.832 0.198 1.00 0.00 C ATOM 1817 C PHE A 112 2.907 -1.548 1.673 1.00 0.00 C ATOM 1818 O PHE A 112 2.889 -0.392 2.094 1.00 0.00 O ATOM 1819 CB PHE A 112 1.977 -2.513 -0.426 1.00 0.00 C ATOM 1820 CG PHE A 112 0.731 -1.627 -0.486 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.846 -0.315 -0.826 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.490 -2.150 -0.198 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.310 0.508 -0.881 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.646 -1.327 -0.253 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.532 -0.016 -0.594 1.00 0.00 C ATOM 0 H PHE A 112 4.108 -3.594 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 112 3.426 -0.884 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.231 -2.834 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.744 -3.412 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.816 0.101 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.581 -3.192 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.219 1.550 -1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.616 -1.743 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.411 0.609 -0.637 1.00 0.00 H new ATOM 1835 N LYS A 113 2.688 -2.621 2.418 1.00 0.00 N ATOM 1836 CA LYS A 113 2.400 -2.501 3.837 1.00 0.00 C ATOM 1837 C LYS A 113 3.439 -1.586 4.488 1.00 0.00 C ATOM 1838 O LYS A 113 3.091 -0.702 5.270 1.00 0.00 O ATOM 1839 CB LYS A 113 2.308 -3.884 4.484 1.00 0.00 C ATOM 1840 CG LYS A 113 2.220 -3.773 6.008 1.00 0.00 C ATOM 1841 CD LYS A 113 3.247 -4.683 6.685 1.00 0.00 C ATOM 1842 CE LYS A 113 4.318 -3.861 7.404 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.497 -4.701 7.710 1.00 0.00 N ATOM 0 H LYS A 113 2.704 -3.578 2.066 1.00 0.00 H new ATOM 0 HA LYS A 113 1.425 -2.037 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.432 -4.410 4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.180 -4.477 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.389 -2.740 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.217 -4.042 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.745 -5.336 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.716 -5.326 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.617 -3.018 6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.909 -3.447 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.214 -4.128 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.211 -5.492 8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.896 -5.075 6.825 1.00 0.00 H new ATOM 1857 N SER A 114 4.695 -1.829 4.142 1.00 0.00 N ATOM 1858 CA SER A 114 5.787 -1.037 4.683 1.00 0.00 C ATOM 1859 C SER A 114 5.620 0.429 4.279 1.00 0.00 C ATOM 1860 O SER A 114 5.425 1.293 5.132 1.00 0.00 O ATOM 1861 CB SER A 114 7.140 -1.569 4.207 1.00 0.00 C ATOM 1862 OG SER A 114 7.568 -2.696 4.966 1.00 0.00 O ATOM 0 H SER A 114 4.981 -2.563 3.494 1.00 0.00 H new ATOM 0 HA SER A 114 5.760 -1.112 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.071 -1.846 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.886 -0.778 4.280 1.00 0.00 H new ATOM 0 HG SER A 114 7.367 -3.518 4.472 1.00 0.00 H new ATOM 1868 N LEU A 115 5.704 0.665 2.978 1.00 0.00 N ATOM 1869 CA LEU A 115 5.565 2.011 2.451 1.00 0.00 C ATOM 1870 C LEU A 115 4.503 2.762 3.256 1.00 0.00 C ATOM 1871 O LEU A 115 4.644 3.956 3.515 1.00 0.00 O ATOM 1872 CB LEU A 115 5.284 1.972 0.947 1.00 0.00 C ATOM 1873 CG LEU A 115 5.259 3.325 0.234 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.025 4.135 0.636 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.557 4.098 0.479 1.00 0.00 C ATOM 0 H LEU A 115 5.867 -0.054 2.273 1.00 0.00 H new ATOM 0 HA LEU A 115 6.499 2.562 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.041 1.347 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.323 1.483 0.790 1.00 0.00 H new ATOM 0 HG LEU A 115 5.189 3.144 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.032 5.092 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.124 3.583 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.038 4.308 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.513 5.056 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.682 4.269 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.401 3.520 0.102 1.00 0.00 H new ATOM 1887 N LEU A 116 3.462 2.032 3.628 1.00 0.00 N ATOM 1888 CA LEU A 116 2.376 2.614 4.399 1.00 0.00 C ATOM 1889 C LEU A 116 2.891 2.999 5.787 1.00 0.00 C ATOM 1890 O LEU A 116 2.815 4.162 6.181 1.00 0.00 O ATOM 1891 CB LEU A 116 1.174 1.668 4.429 1.00 0.00 C ATOM 1892 CG LEU A 116 0.617 1.247 3.068 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.038 -0.168 3.126 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.404 2.264 2.554 1.00 0.00 C ATOM 0 H LEU A 116 3.347 1.042 3.410 1.00 0.00 H new ATOM 0 HA LEU A 116 2.020 3.529 3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.458 0.769 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.374 2.147 4.994 1.00 0.00 H new ATOM 0 HG LEU A 116 1.440 1.229 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.351 -0.442 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.820 -0.870 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.768 -0.201 3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.784 1.940 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.230 2.339 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.074 3.238 2.449 1.00 0.00 H new ATOM 1906 N GLN A 117 3.403 2.001 6.491 1.00 0.00 N ATOM 1907 CA GLN A 117 3.931 2.220 7.827 1.00 0.00 C ATOM 1908 C GLN A 117 5.237 3.013 7.759 1.00 0.00 C ATOM 1909 O GLN A 117 5.805 3.371 8.789 1.00 0.00 O ATOM 1910 CB GLN A 117 4.132 0.894 8.562 1.00 0.00 C ATOM 1911 CG GLN A 117 5.418 0.203 8.105 1.00 0.00 C ATOM 1912 CD GLN A 117 6.481 0.239 9.205 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.497 -0.573 10.115 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.366 1.224 9.071 1.00 0.00 N ATOM 0 H GLN A 117 3.464 1.038 6.161 1.00 0.00 H new ATOM 0 HA GLN A 117 3.204 2.804 8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.173 1.072 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.279 0.240 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.203 -0.831 7.836 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.800 0.693 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.295 1.870 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.115 1.333 9.755 1.00 0.00 H new ATOM 1923 N LYS A 118 5.676 3.265 6.534 1.00 0.00 N ATOM 1924 CA LYS A 118 6.905 4.009 6.317 1.00 0.00 C ATOM 1925 C LYS A 118 6.597 5.507 6.320 1.00 0.00 C ATOM 1926 O LYS A 118 6.937 6.213 7.269 1.00 0.00 O ATOM 1927 CB LYS A 118 7.606 3.528 5.045 1.00 0.00 C ATOM 1928 CG LYS A 118 8.944 2.863 5.374 1.00 0.00 C ATOM 1929 CD LYS A 118 9.983 3.156 4.290 1.00 0.00 C ATOM 1930 CE LYS A 118 11.403 2.954 4.822 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.690 3.917 5.910 1.00 0.00 N ATOM 0 H LYS A 118 5.202 2.967 5.681 1.00 0.00 H new ATOM 0 HA LYS A 118 7.609 3.826 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.965 2.822 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.770 4.372 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.306 3.223 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.805 1.786 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.815 2.502 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.866 4.180 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.518 1.935 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 118 12.123 3.084 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.715 4.087 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.200 4.814 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.357 3.527 6.815 1.00 0.00 H new ATOM 1945 N MET A 119 5.955 5.949 5.248 1.00 0.00 N ATOM 1946 CA MET A 119 5.597 7.351 5.115 1.00 0.00 C ATOM 1947 C MET A 119 4.202 7.617 5.685 1.00 0.00 C ATOM 1948 O MET A 119 4.061 8.304 6.695 1.00 0.00 O ATOM 1949 CB MET A 119 5.630 7.748 3.638 1.00 0.00 C ATOM 1950 CG MET A 119 6.898 8.540 3.311 1.00 0.00 C ATOM 1951 SD MET A 119 6.478 10.229 2.915 1.00 0.00 S ATOM 1952 CE MET A 119 6.979 11.036 4.426 1.00 0.00 C ATOM 0 H MET A 119 5.674 5.361 4.464 1.00 0.00 H new ATOM 0 HA MET A 119 6.317 7.946 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.585 6.854 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.751 8.347 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.581 8.516 4.160 1.00 0.00 H new ATOM 0 HG3 MET A 119 7.418 8.079 2.471 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.073 12.108 4.252 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.231 10.858 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 119 7.939 10.636 4.751 1.00 0.00 H new ATOM 1962 N ILE A 120 3.207 7.058 5.012 1.00 0.00 N ATOM 1963 CA ILE A 120 1.828 7.226 5.439 1.00 0.00 C ATOM 1964 C ILE A 120 1.774 7.273 6.967 1.00 0.00 C ATOM 1965 O ILE A 120 1.001 8.039 7.541 1.00 0.00 O ATOM 1966 CB ILE A 120 0.941 6.141 4.825 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.552 6.498 3.389 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.284 5.873 5.701 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.792 6.789 2.541 1.00 0.00 C ATOM 0 H ILE A 120 3.328 6.489 4.174 1.00 0.00 H new ATOM 0 HA ILE A 120 1.430 8.174 5.076 1.00 0.00 H new ATOM 0 HB ILE A 120 1.515 5.215 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.011 5.677 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.104 7.369 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.897 5.098 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.040 5.542 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.869 6.788 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.487 7.040 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.340 7.627 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.434 5.908 2.520 1.00 0.00 H new ATOM 1981 N HIS A 121 2.604 6.444 7.583 1.00 0.00 N ATOM 1982 CA HIS A 121 2.660 6.381 9.033 1.00 0.00 C ATOM 1983 C HIS A 121 3.198 7.703 9.584 1.00 0.00 C ATOM 1984 O HIS A 121 2.453 8.483 10.174 1.00 0.00 O ATOM 1985 CB HIS A 121 3.476 5.171 9.494 1.00 0.00 C ATOM 1986 CG HIS A 121 4.066 5.319 10.876 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.237 6.015 11.121 1.00 0.00 N ATOM 1988 CD2 HIS A 121 3.635 4.853 12.083 1.00 0.00 C ATOM 1989 CE1 HIS A 121 5.490 5.964 12.420 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.496 5.242 13.015 1.00 0.00 N ATOM 0 H HIS A 121 3.243 5.810 7.104 1.00 0.00 H new ATOM 0 HA HIS A 121 1.656 6.242 9.433 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.838 4.287 9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.283 4.997 8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.744 4.267 12.252 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.334 6.414 12.921 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.426 5.036 14.011 1.00 0.00 H new ATOM 1998 N GLN A 122 4.489 7.915 9.370 1.00 0.00 N ATOM 1999 CA GLN A 122 5.136 9.129 9.838 1.00 0.00 C ATOM 2000 C GLN A 122 4.295 10.353 9.470 1.00 0.00 C ATOM 2001 O GLN A 122 4.166 11.284 10.265 1.00 0.00 O ATOM 2002 CB GLN A 122 6.553 9.247 9.273 1.00 0.00 C ATOM 2003 CG GLN A 122 6.553 9.081 7.752 1.00 0.00 C ATOM 2004 CD GLN A 122 7.981 9.006 7.209 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.418 8.000 6.675 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.682 10.125 7.374 1.00 0.00 N ATOM 0 H GLN A 122 5.104 7.266 8.879 1.00 0.00 H new ATOM 0 HA GLN A 122 5.216 9.080 10.924 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.974 10.217 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.193 8.489 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.009 8.176 7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.028 9.918 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.255 10.932 7.830 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.646 10.176 7.045 1.00 0.00 H new