USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1029 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 131 HIS : no HD1:sc= -0.87 K(o=-2,f=-7.5!) USER MOD Set 1.2: A 142 CYS SG : rot 122:sc= -2.1! USER MOD Set 1.3: A 143 CYS SG : rot 147:sc= 0.551 USER MOD Set 1.4: A 145 GLN :FLIP amide:sc= 1.08 F(o=-5.4,f=-2) USER MOD Set 1.5: A 153 CYS SG : rot 120:sc= -0.667 USER MOD Set 2.1: A 105 SER OG : rot -170:sc= 0.436 USER MOD Set 2.2: A 108 SER OG : rot 77:sc= 0.476 USER MOD Set 3.1: A 94 HIS : no HE2:sc= -1.78 K(o=-2.2,f=-3.8) USER MOD Set 3.2: A 97 ASN : amide:sc= -0.375 K(o=-2.2,f=-5.7!) USER MOD Set 4.1: A 84 CYS SG : rot -110:sc= 0.433 USER MOD Set 4.2: A 86 ASN : amide:sc= -1.12 K(o=-0.68,f=-8.1!) USER MOD Set 5.1: A 76 LYS NZ :NH3+ -151:sc= 0.615 (180deg=-0.107) USER MOD Set 5.2: A 130 TYR OH : rot 90:sc= 0.784 USER MOD Single : A 15 THR OG1 : rot 22:sc= 0.722 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -0.0501 (180deg=-0.227) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.894 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -43:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -155:sc= -0.275 (180deg=-1.1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0.243 (180deg=0.184) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.175 (180deg=-0.749) USER MOD Single : A 71 CYS SG : rot 83:sc= -0.107 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.321 F(o=-1.4!,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.66!) USER MOD Single : A 98 THR OG1 : rot 126:sc= 0.205 USER MOD Single : A 100 TYR OH : rot -38:sc= 1.02 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 114 LYS NZ :NH3+ 140:sc= -1.1 (180deg=-3.35!) USER MOD Single : A 115 LYS NZ :NH3+ 143:sc= 0.0305 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -125:sc= -0.235 (180deg=-2.47!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 123 ASN : amide:sc= 0.199 K(o=0.2,f=-1) USER MOD Single : A 124 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 125 ASN :FLIP amide:sc= -2.82! C(o=-3.5!,f=-2.8!) USER MOD Single : A 127 MET CE :methyl -171:sc= -0.495 (180deg=-0.754) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0311) USER MOD Single : A 136 THR OG1 : rot 180:sc=-0.00305 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -0.553 K(o=-0.55,f=-4.1!) USER MOD Single : A 146 THR OG1 : rot -52:sc= 0.353 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ -170:sc=-0.00141 (180deg=-0.0847) USER MOD Single : A 156 TYR OH : rot 34:sc= 0.435 USER MOD Single : A 157 ASN : amide:sc= -0.0767 X(o=-0.077,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -10.520 -1.691 15.229 1.00 74.23 N ATOM 230 CA THR A 15 -9.745 -1.571 13.978 1.00 43.14 C ATOM 231 C THR A 15 -10.290 -0.402 13.134 1.00 71.32 C ATOM 232 O THR A 15 -11.459 -0.021 13.272 1.00 5.20 O ATOM 233 CB THR A 15 -9.785 -2.911 13.145 1.00 1.32 C ATOM 234 OG1 THR A 15 -8.973 -2.805 11.955 1.00 33.14 O ATOM 235 CG2 THR A 15 -11.225 -3.308 12.746 1.00 62.23 C ATOM 0 HA THR A 15 -8.706 -1.373 14.240 1.00 43.14 H new ATOM 0 HB THR A 15 -9.383 -3.690 13.793 1.00 1.32 H new ATOM 0 HG1 THR A 15 -8.308 -2.095 12.075 1.00 33.14 H new ATOM 0 HG21 THR A 15 -11.201 -4.236 12.175 1.00 62.23 H new ATOM 0 HG22 THR A 15 -11.825 -3.450 13.645 1.00 62.23 H new ATOM 0 HG23 THR A 15 -11.665 -2.518 12.137 1.00 62.23 H new ATOM 243 N ILE A 16 -9.421 0.184 12.304 1.00 52.15 N ATOM 244 CA ILE A 16 -9.822 1.194 11.316 1.00 24.45 C ATOM 245 C ILE A 16 -10.572 0.498 10.172 1.00 74.42 C ATOM 246 O ILE A 16 -11.728 0.826 9.869 1.00 32.01 O ATOM 247 CB ILE A 16 -8.579 1.960 10.730 1.00 64.30 C ATOM 248 CG1 ILE A 16 -7.768 2.662 11.861 1.00 63.15 C ATOM 249 CG2 ILE A 16 -9.007 2.960 9.629 1.00 54.13 C ATOM 250 CD1 ILE A 16 -6.516 3.386 11.400 1.00 2.31 C ATOM 0 H ILE A 16 -8.423 -0.027 12.297 1.00 52.15 H new ATOM 0 HA ILE A 16 -10.462 1.923 11.812 1.00 24.45 H new ATOM 0 HB ILE A 16 -7.921 1.226 10.264 1.00 64.30 H new ATOM 0 HG12 ILE A 16 -8.419 3.378 12.363 1.00 63.15 H new ATOM 0 HG13 ILE A 16 -7.485 1.914 12.602 1.00 63.15 H new ATOM 0 HG21 ILE A 16 -8.127 3.475 9.243 1.00 54.13 H new ATOM 0 HG22 ILE A 16 -9.497 2.421 8.818 1.00 54.13 H new ATOM 0 HG23 ILE A 16 -9.699 3.690 10.049 1.00 54.13 H new ATOM 0 HD11 ILE A 16 -6.022 3.841 12.258 1.00 2.31 H new ATOM 0 HD12 ILE A 16 -5.839 2.676 10.926 1.00 2.31 H new ATOM 0 HD13 ILE A 16 -6.787 4.162 10.684 1.00 2.31 H new ATOM 262 N LEU A 17 -9.904 -0.505 9.583 1.00 21.52 N ATOM 263 CA LEU A 17 -10.365 -1.138 8.344 1.00 32.25 C ATOM 264 C LEU A 17 -9.618 -2.461 8.122 1.00 2.42 C ATOM 265 O LEU A 17 -8.403 -2.526 8.315 1.00 40.52 O ATOM 266 CB LEU A 17 -10.126 -0.176 7.138 1.00 15.02 C ATOM 267 CG LEU A 17 -10.823 -0.563 5.803 1.00 65.22 C ATOM 268 CD1 LEU A 17 -12.362 -0.497 5.931 1.00 34.45 C ATOM 269 CD2 LEU A 17 -10.303 0.316 4.652 1.00 63.43 C ATOM 0 H LEU A 17 -9.036 -0.896 9.950 1.00 21.52 H new ATOM 0 HA LEU A 17 -11.432 -1.347 8.424 1.00 32.25 H new ATOM 0 HB2 LEU A 17 -10.462 0.821 7.423 1.00 15.02 H new ATOM 0 HB3 LEU A 17 -9.053 -0.112 6.958 1.00 15.02 H new ATOM 0 HG LEU A 17 -10.572 -1.598 5.571 1.00 65.22 H new ATOM 0 HD11 LEU A 17 -12.818 -0.773 4.980 1.00 34.45 H new ATOM 0 HD12 LEU A 17 -12.693 -1.188 6.707 1.00 34.45 H new ATOM 0 HD13 LEU A 17 -12.662 0.517 6.196 1.00 34.45 H new ATOM 0 HD21 LEU A 17 -10.801 0.033 3.724 1.00 63.43 H new ATOM 0 HD22 LEU A 17 -10.512 1.363 4.871 1.00 63.43 H new ATOM 0 HD23 LEU A 17 -9.227 0.176 4.544 1.00 63.43 H new ATOM 281 N GLU A 18 -10.350 -3.507 7.713 1.00 54.22 N ATOM 282 CA GLU A 18 -9.768 -4.818 7.350 1.00 14.15 C ATOM 283 C GLU A 18 -10.457 -5.378 6.092 1.00 65.45 C ATOM 284 O GLU A 18 -11.659 -5.181 5.888 1.00 23.45 O ATOM 285 CB GLU A 18 -9.784 -5.857 8.535 1.00 75.53 C ATOM 286 CG GLU A 18 -10.795 -5.617 9.673 1.00 52.12 C ATOM 287 CD GLU A 18 -12.257 -5.518 9.207 1.00 71.15 C ATOM 288 OE1 GLU A 18 -12.852 -6.566 8.890 1.00 24.12 O ATOM 289 OE2 GLU A 18 -12.814 -4.398 9.166 1.00 53.11 O ATOM 0 H GLU A 18 -11.365 -3.473 7.623 1.00 54.22 H new ATOM 0 HA GLU A 18 -8.715 -4.649 7.127 1.00 14.15 H new ATOM 0 HB2 GLU A 18 -9.977 -6.844 8.115 1.00 75.53 H new ATOM 0 HB3 GLU A 18 -8.786 -5.886 8.972 1.00 75.53 H new ATOM 0 HG2 GLU A 18 -10.710 -6.428 10.396 1.00 52.12 H new ATOM 0 HG3 GLU A 18 -10.528 -4.697 10.193 1.00 52.12 H new ATOM 296 N GLU A 19 -9.661 -6.063 5.247 1.00 1.12 N ATOM 297 CA GLU A 19 -10.129 -6.636 3.970 1.00 12.33 C ATOM 298 C GLU A 19 -9.179 -7.737 3.512 1.00 43.21 C ATOM 299 O GLU A 19 -7.999 -7.762 3.901 1.00 34.42 O ATOM 300 CB GLU A 19 -10.224 -5.525 2.881 1.00 44.21 C ATOM 301 CG GLU A 19 -10.866 -5.940 1.536 1.00 0.25 C ATOM 302 CD GLU A 19 -12.330 -6.387 1.678 1.00 31.00 C ATOM 303 OE1 GLU A 19 -13.207 -5.518 1.837 1.00 14.13 O ATOM 304 OE2 GLU A 19 -12.599 -7.608 1.638 1.00 70.13 O ATOM 0 H GLU A 19 -8.673 -6.235 5.432 1.00 1.12 H new ATOM 0 HA GLU A 19 -11.120 -7.063 4.121 1.00 12.33 H new ATOM 0 HB2 GLU A 19 -10.795 -4.692 3.291 1.00 44.21 H new ATOM 0 HB3 GLU A 19 -9.219 -5.155 2.681 1.00 44.21 H new ATOM 0 HG2 GLU A 19 -10.814 -5.101 0.842 1.00 0.25 H new ATOM 0 HG3 GLU A 19 -10.285 -6.752 1.099 1.00 0.25 H new ATOM 311 N ILE A 20 -9.704 -8.650 2.681 1.00 24.42 N ATOM 312 CA ILE A 20 -8.910 -9.680 2.024 1.00 45.42 C ATOM 313 C ILE A 20 -8.171 -9.051 0.822 1.00 72.25 C ATOM 314 O ILE A 20 -8.741 -8.875 -0.255 1.00 1.42 O ATOM 315 CB ILE A 20 -9.813 -10.893 1.571 1.00 30.13 C ATOM 316 CG1 ILE A 20 -10.589 -11.511 2.781 1.00 51.23 C ATOM 317 CG2 ILE A 20 -8.986 -11.978 0.853 1.00 70.10 C ATOM 318 CD1 ILE A 20 -9.719 -12.096 3.891 1.00 33.22 C ATOM 0 H ILE A 20 -10.697 -8.688 2.450 1.00 24.42 H new ATOM 0 HA ILE A 20 -8.178 -10.076 2.728 1.00 45.42 H new ATOM 0 HB ILE A 20 -10.542 -10.500 0.863 1.00 30.13 H new ATOM 0 HG12 ILE A 20 -11.228 -10.740 3.212 1.00 51.23 H new ATOM 0 HG13 ILE A 20 -11.246 -12.296 2.406 1.00 51.23 H new ATOM 0 HG21 ILE A 20 -9.641 -12.797 0.556 1.00 70.10 H new ATOM 0 HG22 ILE A 20 -8.515 -11.550 -0.032 1.00 70.10 H new ATOM 0 HG23 ILE A 20 -8.217 -12.355 1.527 1.00 70.10 H new ATOM 0 HD11 ILE A 20 -10.356 -12.497 4.679 1.00 33.22 H new ATOM 0 HD12 ILE A 20 -9.099 -12.895 3.484 1.00 33.22 H new ATOM 0 HD13 ILE A 20 -9.081 -11.314 4.303 1.00 33.22 H new ATOM 330 N LEU A 21 -6.921 -8.644 1.068 1.00 5.14 N ATOM 331 CA LEU A 21 -6.043 -8.034 0.057 1.00 24.34 C ATOM 332 C LEU A 21 -4.923 -9.026 -0.288 1.00 53.35 C ATOM 333 O LEU A 21 -4.451 -9.758 0.587 1.00 53.41 O ATOM 334 CB LEU A 21 -5.419 -6.715 0.598 1.00 11.30 C ATOM 335 CG LEU A 21 -6.392 -5.649 1.195 1.00 63.34 C ATOM 336 CD1 LEU A 21 -5.611 -4.471 1.815 1.00 64.01 C ATOM 337 CD2 LEU A 21 -7.395 -5.149 0.142 1.00 75.44 C ATOM 0 H LEU A 21 -6.483 -8.729 1.985 1.00 5.14 H new ATOM 0 HA LEU A 21 -6.629 -7.800 -0.832 1.00 24.34 H new ATOM 0 HB2 LEU A 21 -4.694 -6.977 1.368 1.00 11.30 H new ATOM 0 HB3 LEU A 21 -4.865 -6.247 -0.215 1.00 11.30 H new ATOM 0 HG LEU A 21 -6.961 -6.133 1.989 1.00 63.34 H new ATOM 0 HD11 LEU A 21 -6.313 -3.744 2.223 1.00 64.01 H new ATOM 0 HD12 LEU A 21 -4.967 -4.841 2.613 1.00 64.01 H new ATOM 0 HD13 LEU A 21 -5.001 -3.995 1.048 1.00 64.01 H new ATOM 0 HD21 LEU A 21 -8.056 -4.409 0.592 1.00 75.44 H new ATOM 0 HD22 LEU A 21 -6.855 -4.695 -0.689 1.00 75.44 H new ATOM 0 HD23 LEU A 21 -7.986 -5.988 -0.225 1.00 75.44 H new ATOM 349 N ILE A 22 -4.472 -9.024 -1.546 1.00 75.31 N ATOM 350 CA ILE A 22 -3.383 -9.905 -2.002 1.00 1.40 C ATOM 351 C ILE A 22 -2.059 -9.123 -2.012 1.00 51.35 C ATOM 352 O ILE A 22 -1.970 -8.074 -2.622 1.00 12.12 O ATOM 353 CB ILE A 22 -3.682 -10.515 -3.428 1.00 20.33 C ATOM 354 CG1 ILE A 22 -4.876 -11.525 -3.342 1.00 14.51 C ATOM 355 CG2 ILE A 22 -2.421 -11.165 -4.056 1.00 51.20 C ATOM 356 CD1 ILE A 22 -5.140 -12.335 -4.599 1.00 3.21 C ATOM 0 H ILE A 22 -4.846 -8.417 -2.276 1.00 75.31 H new ATOM 0 HA ILE A 22 -3.305 -10.741 -1.306 1.00 1.40 H new ATOM 0 HB ILE A 22 -3.970 -9.701 -4.093 1.00 20.33 H new ATOM 0 HG12 ILE A 22 -4.687 -12.215 -2.520 1.00 14.51 H new ATOM 0 HG13 ILE A 22 -5.780 -10.971 -3.092 1.00 14.51 H new ATOM 0 HG21 ILE A 22 -2.671 -11.572 -5.036 1.00 51.20 H new ATOM 0 HG22 ILE A 22 -1.640 -10.413 -4.164 1.00 51.20 H new ATOM 0 HG23 ILE A 22 -2.065 -11.968 -3.410 1.00 51.20 H new ATOM 0 HD11 ILE A 22 -5.986 -13.002 -4.431 1.00 3.21 H new ATOM 0 HD12 ILE A 22 -5.367 -11.661 -5.425 1.00 3.21 H new ATOM 0 HD13 ILE A 22 -4.257 -12.925 -4.844 1.00 3.21 H new ATOM 368 N LYS A 23 -1.049 -9.650 -1.312 1.00 73.35 N ATOM 369 CA LYS A 23 0.309 -9.086 -1.313 1.00 34.21 C ATOM 370 C LYS A 23 1.201 -9.946 -2.217 1.00 75.22 C ATOM 371 O LYS A 23 1.239 -11.170 -2.051 1.00 44.33 O ATOM 372 CB LYS A 23 0.881 -9.071 0.131 1.00 44.43 C ATOM 373 CG LYS A 23 2.212 -8.296 0.265 1.00 22.45 C ATOM 374 CD LYS A 23 2.839 -8.375 1.678 1.00 22.54 C ATOM 375 CE LYS A 23 3.321 -9.782 2.052 1.00 71.24 C ATOM 376 NZ LYS A 23 4.284 -10.332 1.049 1.00 34.44 N ATOM 0 H LYS A 23 -1.148 -10.480 -0.728 1.00 73.35 H new ATOM 0 HA LYS A 23 0.280 -8.062 -1.686 1.00 34.21 H new ATOM 0 HB2 LYS A 23 0.144 -8.627 0.800 1.00 44.43 H new ATOM 0 HB3 LYS A 23 1.034 -10.098 0.462 1.00 44.43 H new ATOM 0 HG2 LYS A 23 2.925 -8.687 -0.461 1.00 22.45 H new ATOM 0 HG3 LYS A 23 2.040 -7.250 0.011 1.00 22.45 H new ATOM 0 HD2 LYS A 23 3.680 -7.684 1.733 1.00 22.54 H new ATOM 0 HD3 LYS A 23 2.105 -8.043 2.412 1.00 22.54 H new ATOM 0 HE2 LYS A 23 3.796 -9.753 3.032 1.00 71.24 H new ATOM 0 HE3 LYS A 23 2.463 -10.449 2.133 1.00 71.24 H new ATOM 0 HZ1 LYS A 23 4.737 -11.185 1.434 1.00 34.44 H new ATOM 0 HZ2 LYS A 23 3.774 -10.575 0.176 1.00 34.44 H new ATOM 0 HZ3 LYS A 23 5.011 -9.619 0.839 1.00 34.44 H new ATOM 390 N ARG A 24 1.902 -9.311 -3.169 1.00 61.12 N ATOM 391 CA ARG A 24 2.877 -10.004 -4.025 1.00 61.32 C ATOM 392 C ARG A 24 4.236 -10.063 -3.308 1.00 10.30 C ATOM 393 O ARG A 24 4.541 -9.218 -2.448 1.00 42.23 O ATOM 394 CB ARG A 24 3.021 -9.303 -5.409 1.00 52.54 C ATOM 395 CG ARG A 24 3.901 -10.079 -6.412 1.00 45.12 C ATOM 396 CD ARG A 24 4.055 -9.392 -7.775 1.00 51.11 C ATOM 397 NE ARG A 24 4.861 -8.160 -7.732 1.00 50.32 N ATOM 398 CZ ARG A 24 5.069 -7.347 -8.791 1.00 4.44 C ATOM 399 NH1 ARG A 24 4.520 -7.621 -9.984 1.00 41.34 N ATOM 400 NH2 ARG A 24 5.855 -6.283 -8.652 1.00 25.02 N ATOM 0 H ARG A 24 1.811 -8.314 -3.366 1.00 61.12 H new ATOM 0 HA ARG A 24 2.518 -11.017 -4.208 1.00 61.32 H new ATOM 0 HB2 ARG A 24 2.030 -9.165 -5.841 1.00 52.54 H new ATOM 0 HB3 ARG A 24 3.445 -8.310 -5.260 1.00 52.54 H new ATOM 0 HG2 ARG A 24 4.890 -10.222 -5.976 1.00 45.12 H new ATOM 0 HG3 ARG A 24 3.473 -11.070 -6.563 1.00 45.12 H new ATOM 0 HD2 ARG A 24 4.514 -10.091 -8.474 1.00 51.11 H new ATOM 0 HD3 ARG A 24 3.065 -9.154 -8.165 1.00 51.11 H new ATOM 0 HE ARG A 24 5.291 -7.903 -6.843 1.00 50.32 H new ATOM 0 HH11 ARG A 24 3.938 -8.451 -10.099 1.00 41.34 H new ATOM 0 HH12 ARG A 24 4.684 -7.000 -10.776 1.00 41.34 H new ATOM 0 HH21 ARG A 24 6.294 -6.087 -7.752 1.00 25.02 H new ATOM 0 HH22 ARG A 24 6.019 -5.663 -9.445 1.00 25.02 H new ATOM 414 N SER A 25 5.039 -11.073 -3.662 1.00 52.34 N ATOM 415 CA SER A 25 6.399 -11.234 -3.158 1.00 31.02 C ATOM 416 C SER A 25 7.349 -10.365 -4.003 1.00 62.42 C ATOM 417 O SER A 25 7.574 -10.670 -5.180 1.00 71.24 O ATOM 418 CB SER A 25 6.798 -12.723 -3.247 1.00 63.22 C ATOM 419 OG SER A 25 8.087 -12.954 -2.715 1.00 62.13 O ATOM 0 H SER A 25 4.756 -11.806 -4.313 1.00 52.34 H new ATOM 0 HA SER A 25 6.461 -10.917 -2.117 1.00 31.02 H new ATOM 0 HB2 SER A 25 6.069 -13.328 -2.708 1.00 63.22 H new ATOM 0 HB3 SER A 25 6.771 -13.045 -4.288 1.00 63.22 H new ATOM 0 HG SER A 25 8.305 -13.907 -2.787 1.00 62.13 H new ATOM 583 N ASN A 35 5.107 -14.232 -6.549 1.00 55.32 N ATOM 584 CA ASN A 35 3.860 -14.940 -6.222 1.00 63.44 C ATOM 585 C ASN A 35 2.863 -13.989 -5.532 1.00 5.02 C ATOM 586 O ASN A 35 3.215 -13.259 -4.598 1.00 54.23 O ATOM 587 CB ASN A 35 4.129 -16.203 -5.352 1.00 62.42 C ATOM 588 CG ASN A 35 4.729 -15.898 -3.976 1.00 61.21 C ATOM 589 OD1 ASN A 35 5.949 -15.852 -3.820 1.00 11.12 O ATOM 590 ND2 ASN A 35 3.879 -15.709 -2.970 1.00 21.05 N ATOM 0 HA ASN A 35 3.415 -15.282 -7.156 1.00 63.44 H new ATOM 0 HB2 ASN A 35 3.192 -16.744 -5.216 1.00 62.42 H new ATOM 0 HB3 ASN A 35 4.805 -16.866 -5.892 1.00 62.42 H new ATOM 0 HD21 ASN A 35 4.233 -15.519 -2.032 1.00 21.05 H new ATOM 0 HD22 ASN A 35 2.874 -15.754 -3.136 1.00 21.05 H new ATOM 597 N TYR A 36 1.632 -14.000 -6.037 1.00 71.22 N ATOM 598 CA TYR A 36 0.511 -13.239 -5.495 1.00 10.13 C ATOM 599 C TYR A 36 -0.150 -14.094 -4.418 1.00 30.14 C ATOM 600 O TYR A 36 -0.785 -15.102 -4.732 1.00 20.44 O ATOM 601 CB TYR A 36 -0.481 -12.900 -6.643 1.00 44.43 C ATOM 602 CG TYR A 36 0.116 -11.978 -7.712 1.00 15.55 C ATOM 603 CD1 TYR A 36 0.996 -12.468 -8.689 1.00 5.41 C ATOM 604 CD2 TYR A 36 -0.168 -10.617 -7.728 1.00 43.12 C ATOM 605 CE1 TYR A 36 1.571 -11.625 -9.622 1.00 41.43 C ATOM 606 CE2 TYR A 36 0.394 -9.786 -8.668 1.00 40.50 C ATOM 607 CZ TYR A 36 1.264 -10.287 -9.605 1.00 21.13 C ATOM 608 OH TYR A 36 1.860 -9.430 -10.505 1.00 14.43 O ATOM 0 H TYR A 36 1.381 -14.553 -6.856 1.00 71.22 H new ATOM 0 HA TYR A 36 0.841 -12.298 -5.055 1.00 10.13 H new ATOM 0 HB2 TYR A 36 -0.809 -13.826 -7.115 1.00 44.43 H new ATOM 0 HB3 TYR A 36 -1.367 -12.427 -6.220 1.00 44.43 H new ATOM 0 HD1 TYR A 36 1.228 -13.522 -8.713 1.00 5.41 H new ATOM 0 HD2 TYR A 36 -0.841 -10.206 -6.990 1.00 43.12 H new ATOM 0 HE1 TYR A 36 2.257 -12.016 -10.359 1.00 41.43 H new ATOM 0 HE2 TYR A 36 0.150 -8.734 -8.670 1.00 40.50 H new ATOM 0 HH TYR A 36 1.531 -8.519 -10.357 1.00 14.43 H new ATOM 618 N LYS A 37 0.043 -13.721 -3.147 1.00 5.52 N ATOM 619 CA LYS A 37 -0.438 -14.514 -2.003 1.00 23.43 C ATOM 620 C LYS A 37 -1.515 -13.722 -1.251 1.00 50.33 C ATOM 621 O LYS A 37 -1.330 -12.538 -0.954 1.00 14.02 O ATOM 622 CB LYS A 37 0.746 -14.879 -1.061 1.00 5.40 C ATOM 623 CG LYS A 37 0.502 -16.135 -0.189 1.00 41.11 C ATOM 624 CD LYS A 37 0.587 -17.427 -1.027 1.00 31.22 C ATOM 625 CE LYS A 37 0.233 -18.693 -0.237 1.00 2.20 C ATOM 626 NZ LYS A 37 -1.232 -18.821 -0.005 1.00 63.23 N ATOM 0 H LYS A 37 0.533 -12.867 -2.881 1.00 5.52 H new ATOM 0 HA LYS A 37 -0.875 -15.445 -2.365 1.00 23.43 H new ATOM 0 HB2 LYS A 37 1.640 -15.038 -1.665 1.00 5.40 H new ATOM 0 HB3 LYS A 37 0.950 -14.031 -0.407 1.00 5.40 H new ATOM 0 HG2 LYS A 37 1.238 -16.171 0.614 1.00 41.11 H new ATOM 0 HG3 LYS A 37 -0.479 -16.068 0.281 1.00 41.11 H new ATOM 0 HD2 LYS A 37 -0.085 -17.342 -1.881 1.00 31.22 H new ATOM 0 HD3 LYS A 37 1.597 -17.527 -1.425 1.00 31.22 H new ATOM 0 HE2 LYS A 37 0.591 -19.569 -0.778 1.00 2.20 H new ATOM 0 HE3 LYS A 37 0.751 -18.677 0.722 1.00 2.20 H new ATOM 0 HZ1 LYS A 37 -1.424 -19.691 0.532 1.00 63.23 H new ATOM 0 HZ2 LYS A 37 -1.571 -17.999 0.534 1.00 63.23 H new ATOM 0 HZ3 LYS A 37 -1.726 -18.863 -0.919 1.00 63.23 H new ATOM 640 N GLU A 38 -2.606 -14.409 -0.898 1.00 62.14 N ATOM 641 CA GLU A 38 -3.853 -13.788 -0.413 1.00 2.43 C ATOM 642 C GLU A 38 -3.852 -13.697 1.124 1.00 24.05 C ATOM 643 O GLU A 38 -3.477 -14.656 1.812 1.00 32.20 O ATOM 644 CB GLU A 38 -5.057 -14.609 -0.933 1.00 53.13 C ATOM 645 CG GLU A 38 -6.436 -13.973 -0.679 1.00 15.53 C ATOM 646 CD GLU A 38 -7.580 -14.788 -1.301 1.00 21.24 C ATOM 647 OE1 GLU A 38 -7.944 -15.834 -0.726 1.00 64.04 O ATOM 648 OE2 GLU A 38 -8.108 -14.396 -2.364 1.00 51.52 O ATOM 0 H GLU A 38 -2.653 -15.427 -0.940 1.00 62.14 H new ATOM 0 HA GLU A 38 -3.930 -12.769 -0.793 1.00 2.43 H new ATOM 0 HB2 GLU A 38 -4.937 -14.763 -2.005 1.00 53.13 H new ATOM 0 HB3 GLU A 38 -5.036 -15.593 -0.465 1.00 53.13 H new ATOM 0 HG2 GLU A 38 -6.600 -13.883 0.395 1.00 15.53 H new ATOM 0 HG3 GLU A 38 -6.448 -12.963 -1.089 1.00 15.53 H new ATOM 655 N ARG A 39 -4.261 -12.532 1.652 1.00 24.52 N ATOM 656 CA ARG A 39 -4.149 -12.202 3.089 1.00 52.00 C ATOM 657 C ARG A 39 -5.340 -11.356 3.558 1.00 42.30 C ATOM 658 O ARG A 39 -6.070 -10.790 2.750 1.00 61.44 O ATOM 659 CB ARG A 39 -2.825 -11.410 3.359 1.00 70.13 C ATOM 660 CG ARG A 39 -1.530 -12.234 3.210 1.00 54.11 C ATOM 661 CD ARG A 39 -0.255 -11.380 3.272 1.00 71.04 C ATOM 662 NE ARG A 39 0.948 -12.220 3.405 1.00 13.12 N ATOM 663 CZ ARG A 39 1.657 -12.761 2.407 1.00 71.12 C ATOM 664 NH1 ARG A 39 1.336 -12.566 1.125 1.00 40.03 N ATOM 665 NH2 ARG A 39 2.672 -13.544 2.714 1.00 0.32 N ATOM 0 H ARG A 39 -4.681 -11.787 1.095 1.00 24.52 H new ATOM 0 HA ARG A 39 -4.142 -13.140 3.644 1.00 52.00 H new ATOM 0 HB2 ARG A 39 -2.780 -10.563 2.674 1.00 70.13 H new ATOM 0 HB3 ARG A 39 -2.863 -11.001 4.369 1.00 70.13 H new ATOM 0 HG2 ARG A 39 -1.494 -12.986 3.998 1.00 54.11 H new ATOM 0 HG3 ARG A 39 -1.555 -12.768 2.260 1.00 54.11 H new ATOM 0 HD2 ARG A 39 -0.178 -10.772 2.371 1.00 71.04 H new ATOM 0 HD3 ARG A 39 -0.316 -10.693 4.116 1.00 71.04 H new ATOM 0 HE ARG A 39 1.273 -12.408 4.353 1.00 13.12 H new ATOM 0 HH11 ARG A 39 0.530 -11.990 0.883 1.00 40.03 H new ATOM 0 HH12 ARG A 39 1.897 -12.993 0.388 1.00 40.03 H new ATOM 0 HH21 ARG A 39 2.900 -13.724 3.692 1.00 0.32 H new ATOM 0 HH22 ARG A 39 3.230 -13.970 1.974 1.00 0.32 H new ATOM 679 N LEU A 40 -5.495 -11.287 4.886 1.00 12.10 N ATOM 680 CA LEU A 40 -6.375 -10.334 5.576 1.00 32.23 C ATOM 681 C LEU A 40 -5.490 -9.250 6.204 1.00 52.52 C ATOM 682 O LEU A 40 -4.797 -9.507 7.192 1.00 31.04 O ATOM 683 CB LEU A 40 -7.217 -11.050 6.678 1.00 41.24 C ATOM 684 CG LEU A 40 -8.021 -10.118 7.660 1.00 45.12 C ATOM 685 CD1 LEU A 40 -9.034 -9.208 6.929 1.00 43.52 C ATOM 686 CD2 LEU A 40 -8.700 -10.949 8.766 1.00 14.23 C ATOM 0 H LEU A 40 -5.000 -11.907 5.527 1.00 12.10 H new ATOM 0 HA LEU A 40 -7.075 -9.893 4.866 1.00 32.23 H new ATOM 0 HB2 LEU A 40 -7.923 -11.720 6.187 1.00 41.24 H new ATOM 0 HB3 LEU A 40 -6.546 -11.673 7.270 1.00 41.24 H new ATOM 0 HG LEU A 40 -7.299 -9.449 8.128 1.00 45.12 H new ATOM 0 HD11 LEU A 40 -9.558 -8.589 7.657 1.00 43.52 H new ATOM 0 HD12 LEU A 40 -8.505 -8.568 6.223 1.00 43.52 H new ATOM 0 HD13 LEU A 40 -9.755 -9.824 6.391 1.00 43.52 H new ATOM 0 HD21 LEU A 40 -9.250 -10.286 9.434 1.00 14.23 H new ATOM 0 HD22 LEU A 40 -9.389 -11.662 8.314 1.00 14.23 H new ATOM 0 HD23 LEU A 40 -7.941 -11.488 9.334 1.00 14.23 H new ATOM 698 N PHE A 41 -5.479 -8.066 5.587 1.00 70.52 N ATOM 699 CA PHE A 41 -4.773 -6.900 6.123 1.00 42.24 C ATOM 700 C PHE A 41 -5.699 -6.155 7.093 1.00 33.02 C ATOM 701 O PHE A 41 -6.790 -5.731 6.712 1.00 33.42 O ATOM 702 CB PHE A 41 -4.285 -5.975 4.972 1.00 24.12 C ATOM 703 CG PHE A 41 -3.036 -6.485 4.240 1.00 33.44 C ATOM 704 CD1 PHE A 41 -3.124 -7.475 3.259 1.00 22.23 C ATOM 705 CD2 PHE A 41 -1.769 -5.972 4.540 1.00 33.54 C ATOM 706 CE1 PHE A 41 -1.991 -7.932 2.607 1.00 52.25 C ATOM 707 CE2 PHE A 41 -0.640 -6.433 3.889 1.00 1.33 C ATOM 708 CZ PHE A 41 -0.753 -7.412 2.926 1.00 14.12 C ATOM 0 H PHE A 41 -5.958 -7.889 4.704 1.00 70.52 H new ATOM 0 HA PHE A 41 -3.887 -7.227 6.667 1.00 42.24 H new ATOM 0 HB2 PHE A 41 -5.092 -5.856 4.249 1.00 24.12 H new ATOM 0 HB3 PHE A 41 -4.075 -4.986 5.380 1.00 24.12 H new ATOM 0 HD1 PHE A 41 -4.088 -7.890 3.005 1.00 22.23 H new ATOM 0 HD2 PHE A 41 -1.672 -5.203 5.292 1.00 33.54 H new ATOM 0 HE1 PHE A 41 -2.076 -8.696 1.848 1.00 52.25 H new ATOM 0 HE2 PHE A 41 0.330 -6.026 4.135 1.00 1.33 H new ATOM 0 HZ PHE A 41 0.130 -7.773 2.419 1.00 14.12 H new ATOM 718 N VAL A 42 -5.259 -6.053 8.353 1.00 25.32 N ATOM 719 CA VAL A 42 -5.967 -5.336 9.417 1.00 62.21 C ATOM 720 C VAL A 42 -5.186 -4.057 9.741 1.00 3.01 C ATOM 721 O VAL A 42 -4.018 -4.123 10.124 1.00 53.13 O ATOM 722 CB VAL A 42 -6.104 -6.216 10.720 1.00 75.42 C ATOM 723 CG1 VAL A 42 -6.866 -5.454 11.829 1.00 1.40 C ATOM 724 CG2 VAL A 42 -6.762 -7.583 10.409 1.00 2.14 C ATOM 0 H VAL A 42 -4.385 -6.475 8.666 1.00 25.32 H new ATOM 0 HA VAL A 42 -6.973 -5.100 9.072 1.00 62.21 H new ATOM 0 HB VAL A 42 -5.100 -6.419 11.094 1.00 75.42 H new ATOM 0 HG11 VAL A 42 -6.945 -6.084 12.715 1.00 1.40 H new ATOM 0 HG12 VAL A 42 -6.326 -4.541 12.080 1.00 1.40 H new ATOM 0 HG13 VAL A 42 -7.865 -5.199 11.475 1.00 1.40 H new ATOM 0 HG21 VAL A 42 -6.842 -8.165 11.327 1.00 2.14 H new ATOM 0 HG22 VAL A 42 -7.757 -7.422 9.994 1.00 2.14 H new ATOM 0 HG23 VAL A 42 -6.151 -8.125 9.687 1.00 2.14 H new ATOM 734 N LEU A 43 -5.840 -2.903 9.591 1.00 32.01 N ATOM 735 CA LEU A 43 -5.227 -1.590 9.814 1.00 21.14 C ATOM 736 C LEU A 43 -5.678 -1.042 11.172 1.00 11.14 C ATOM 737 O LEU A 43 -6.876 -0.956 11.449 1.00 31.54 O ATOM 738 CB LEU A 43 -5.632 -0.615 8.670 1.00 51.10 C ATOM 739 CG LEU A 43 -5.084 0.845 8.781 1.00 44.33 C ATOM 740 CD1 LEU A 43 -3.545 0.877 8.779 1.00 63.51 C ATOM 741 CD2 LEU A 43 -5.684 1.752 7.680 1.00 72.30 C ATOM 0 H LEU A 43 -6.819 -2.852 9.309 1.00 32.01 H new ATOM 0 HA LEU A 43 -4.141 -1.689 9.815 1.00 21.14 H new ATOM 0 HB2 LEU A 43 -5.293 -1.037 7.724 1.00 51.10 H new ATOM 0 HB3 LEU A 43 -6.720 -0.570 8.627 1.00 51.10 H new ATOM 0 HG LEU A 43 -5.405 1.246 9.742 1.00 44.33 H new ATOM 0 HD11 LEU A 43 -3.202 1.909 8.858 1.00 63.51 H new ATOM 0 HD12 LEU A 43 -3.168 0.304 9.626 1.00 63.51 H new ATOM 0 HD13 LEU A 43 -3.173 0.441 7.852 1.00 63.51 H new ATOM 0 HD21 LEU A 43 -5.285 2.761 7.782 1.00 72.30 H new ATOM 0 HD22 LEU A 43 -5.422 1.356 6.699 1.00 72.30 H new ATOM 0 HD23 LEU A 43 -6.769 1.779 7.782 1.00 72.30 H new ATOM 753 N THR A 44 -4.702 -0.721 12.019 1.00 25.12 N ATOM 754 CA THR A 44 -4.901 -0.014 13.290 1.00 32.25 C ATOM 755 C THR A 44 -4.114 1.306 13.222 1.00 3.45 C ATOM 756 O THR A 44 -3.346 1.531 12.269 1.00 44.02 O ATOM 757 CB THR A 44 -4.416 -0.879 14.513 1.00 43.34 C ATOM 758 OG1 THR A 44 -3.019 -1.184 14.384 1.00 2.32 O ATOM 759 CG2 THR A 44 -5.214 -2.193 14.644 1.00 11.13 C ATOM 0 H THR A 44 -3.724 -0.950 11.839 1.00 25.12 H new ATOM 0 HA THR A 44 -5.964 0.178 13.438 1.00 32.25 H new ATOM 0 HB THR A 44 -4.586 -0.287 15.412 1.00 43.34 H new ATOM 0 HG1 THR A 44 -2.825 -1.443 13.459 1.00 2.32 H new ATOM 0 HG21 THR A 44 -4.846 -2.758 15.500 1.00 11.13 H new ATOM 0 HG22 THR A 44 -6.270 -1.965 14.787 1.00 11.13 H new ATOM 0 HG23 THR A 44 -5.090 -2.786 13.738 1.00 11.13 H new ATOM 767 N LYS A 45 -4.285 2.159 14.237 1.00 2.40 N ATOM 768 CA LYS A 45 -3.621 3.483 14.299 1.00 11.03 C ATOM 769 C LYS A 45 -2.090 3.365 14.523 1.00 23.54 C ATOM 770 O LYS A 45 -1.364 4.346 14.373 1.00 64.40 O ATOM 771 CB LYS A 45 -4.275 4.344 15.418 1.00 55.41 C ATOM 772 CG LYS A 45 -5.754 4.724 15.163 1.00 65.33 C ATOM 773 CD LYS A 45 -6.379 5.522 16.337 1.00 41.32 C ATOM 774 CE LYS A 45 -7.807 5.999 16.030 1.00 61.11 C ATOM 775 NZ LYS A 45 -8.725 4.866 15.727 1.00 45.40 N ATOM 0 H LYS A 45 -4.883 1.961 15.039 1.00 2.40 H new ATOM 0 HA LYS A 45 -3.760 3.971 13.334 1.00 11.03 H new ATOM 0 HB2 LYS A 45 -4.212 3.799 16.360 1.00 55.41 H new ATOM 0 HB3 LYS A 45 -3.695 5.259 15.539 1.00 55.41 H new ATOM 0 HG2 LYS A 45 -5.820 5.317 14.251 1.00 65.33 H new ATOM 0 HG3 LYS A 45 -6.334 3.816 14.997 1.00 65.33 H new ATOM 0 HD2 LYS A 45 -6.392 4.897 17.230 1.00 41.32 H new ATOM 0 HD3 LYS A 45 -5.751 6.385 16.560 1.00 41.32 H new ATOM 0 HE2 LYS A 45 -8.192 6.559 16.882 1.00 61.11 H new ATOM 0 HE3 LYS A 45 -7.785 6.684 15.182 1.00 61.11 H new ATOM 0 HZ1 LYS A 45 -9.694 5.226 15.610 1.00 45.40 H new ATOM 0 HZ2 LYS A 45 -8.421 4.398 14.850 1.00 45.40 H new ATOM 0 HZ3 LYS A 45 -8.702 4.182 16.510 1.00 45.40 H new ATOM 789 N SER A 46 -1.599 2.165 14.890 1.00 22.05 N ATOM 790 CA SER A 46 -0.155 1.929 15.124 1.00 62.31 C ATOM 791 C SER A 46 0.454 1.077 14.001 1.00 13.11 C ATOM 792 O SER A 46 1.574 1.353 13.548 1.00 60.34 O ATOM 793 CB SER A 46 0.056 1.232 16.499 1.00 72.21 C ATOM 794 OG SER A 46 -0.480 2.010 17.561 1.00 4.14 O ATOM 0 H SER A 46 -2.181 1.340 15.032 1.00 22.05 H new ATOM 0 HA SER A 46 0.351 2.894 15.130 1.00 62.31 H new ATOM 0 HB2 SER A 46 -0.419 0.251 16.488 1.00 72.21 H new ATOM 0 HB3 SER A 46 1.121 1.069 16.667 1.00 72.21 H new ATOM 0 HG SER A 46 -0.334 1.546 18.412 1.00 4.14 H new ATOM 800 N MET A 47 -0.298 0.062 13.508 1.00 33.14 N ATOM 801 CA MET A 47 0.265 -0.963 12.587 1.00 34.12 C ATOM 802 C MET A 47 -0.768 -1.474 11.564 1.00 32.14 C ATOM 803 O MET A 47 -1.935 -1.683 11.893 1.00 13.31 O ATOM 804 CB MET A 47 0.813 -2.195 13.384 1.00 3.50 C ATOM 805 CG MET A 47 1.972 -1.909 14.353 1.00 63.50 C ATOM 806 SD MET A 47 2.424 -3.351 15.343 1.00 64.45 S ATOM 807 CE MET A 47 0.869 -3.728 16.153 1.00 64.43 C ATOM 0 H MET A 47 -1.285 -0.070 13.728 1.00 33.14 H new ATOM 0 HA MET A 47 1.073 -0.466 12.051 1.00 34.12 H new ATOM 0 HB2 MET A 47 -0.009 -2.631 13.951 1.00 3.50 H new ATOM 0 HB3 MET A 47 1.141 -2.949 12.668 1.00 3.50 H new ATOM 0 HG2 MET A 47 2.841 -1.576 13.786 1.00 63.50 H new ATOM 0 HG3 MET A 47 1.692 -1.091 15.017 1.00 63.50 H new ATOM 0 HE1 MET A 47 1.063 -4.263 17.083 1.00 64.43 H new ATOM 0 HE2 MET A 47 0.338 -2.801 16.371 1.00 64.43 H new ATOM 0 HE3 MET A 47 0.259 -4.350 15.498 1.00 64.43 H new ATOM 817 N LEU A 48 -0.293 -1.710 10.330 1.00 64.55 N ATOM 818 CA LEU A 48 -1.013 -2.478 9.305 1.00 44.02 C ATOM 819 C LEU A 48 -0.491 -3.928 9.338 1.00 32.31 C ATOM 820 O LEU A 48 0.581 -4.232 8.815 1.00 5.32 O ATOM 821 CB LEU A 48 -0.788 -1.843 7.900 1.00 32.23 C ATOM 822 CG LEU A 48 -1.350 -2.647 6.680 1.00 64.42 C ATOM 823 CD1 LEU A 48 -2.874 -2.866 6.802 1.00 62.31 C ATOM 824 CD2 LEU A 48 -0.977 -1.948 5.356 1.00 61.00 C ATOM 0 H LEU A 48 0.614 -1.367 10.014 1.00 64.55 H new ATOM 0 HA LEU A 48 -2.084 -2.467 9.506 1.00 44.02 H new ATOM 0 HB2 LEU A 48 -1.242 -0.852 7.895 1.00 32.23 H new ATOM 0 HB3 LEU A 48 0.283 -1.704 7.754 1.00 32.23 H new ATOM 0 HG LEU A 48 -0.888 -3.634 6.680 1.00 64.42 H new ATOM 0 HD11 LEU A 48 -3.231 -3.427 5.939 1.00 62.31 H new ATOM 0 HD12 LEU A 48 -3.090 -3.425 7.713 1.00 62.31 H new ATOM 0 HD13 LEU A 48 -3.378 -1.900 6.841 1.00 62.31 H new ATOM 0 HD21 LEU A 48 -1.375 -2.520 4.518 1.00 61.00 H new ATOM 0 HD22 LEU A 48 -1.400 -0.943 5.343 1.00 61.00 H new ATOM 0 HD23 LEU A 48 0.108 -1.886 5.270 1.00 61.00 H new ATOM 836 N THR A 49 -1.252 -4.798 9.999 1.00 62.15 N ATOM 837 CA THR A 49 -0.935 -6.228 10.149 1.00 74.30 C ATOM 838 C THR A 49 -1.539 -7.034 8.982 1.00 43.11 C ATOM 839 O THR A 49 -2.415 -6.536 8.276 1.00 73.02 O ATOM 840 CB THR A 49 -1.485 -6.728 11.537 1.00 62.41 C ATOM 841 OG1 THR A 49 -1.024 -5.835 12.577 1.00 2.44 O ATOM 842 CG2 THR A 49 -1.046 -8.166 11.897 1.00 32.42 C ATOM 0 H THR A 49 -2.124 -4.530 10.456 1.00 62.15 H new ATOM 0 HA THR A 49 0.145 -6.376 10.123 1.00 74.30 H new ATOM 0 HB THR A 49 -2.572 -6.734 11.457 1.00 62.41 H new ATOM 0 HG1 THR A 49 -1.364 -6.139 13.444 1.00 2.44 H new ATOM 0 HG21 THR A 49 -1.462 -8.442 12.866 1.00 32.42 H new ATOM 0 HG22 THR A 49 -1.408 -8.858 11.136 1.00 32.42 H new ATOM 0 HG23 THR A 49 0.042 -8.214 11.943 1.00 32.42 H new ATOM 850 N TYR A 50 -1.032 -8.257 8.757 1.00 5.31 N ATOM 851 CA TYR A 50 -1.617 -9.208 7.801 1.00 15.41 C ATOM 852 C TYR A 50 -1.656 -10.618 8.397 1.00 63.50 C ATOM 853 O TYR A 50 -0.860 -10.967 9.283 1.00 42.13 O ATOM 854 CB TYR A 50 -0.855 -9.193 6.448 1.00 21.43 C ATOM 855 CG TYR A 50 0.683 -9.299 6.557 1.00 5.10 C ATOM 856 CD1 TYR A 50 1.325 -10.526 6.770 1.00 70.01 C ATOM 857 CD2 TYR A 50 1.491 -8.161 6.433 1.00 4.21 C ATOM 858 CE1 TYR A 50 2.702 -10.613 6.851 1.00 40.23 C ATOM 859 CE2 TYR A 50 2.867 -8.243 6.516 1.00 3.13 C ATOM 860 CZ TYR A 50 3.469 -9.471 6.723 1.00 51.30 C ATOM 861 OH TYR A 50 4.844 -9.553 6.796 1.00 11.32 O ATOM 0 H TYR A 50 -0.204 -8.614 9.234 1.00 5.31 H new ATOM 0 HA TYR A 50 -2.642 -8.894 7.601 1.00 15.41 H new ATOM 0 HB2 TYR A 50 -1.218 -10.019 5.836 1.00 21.43 H new ATOM 0 HB3 TYR A 50 -1.103 -8.272 5.920 1.00 21.43 H new ATOM 0 HD1 TYR A 50 0.732 -11.422 6.873 1.00 70.01 H new ATOM 0 HD2 TYR A 50 1.028 -7.199 6.269 1.00 4.21 H new ATOM 0 HE1 TYR A 50 3.176 -11.570 7.014 1.00 40.23 H new ATOM 0 HE2 TYR A 50 3.470 -7.352 6.420 1.00 3.13 H new ATOM 0 HH TYR A 50 5.231 -8.660 6.685 1.00 11.32 H new ATOM 871 N TYR A 51 -2.607 -11.407 7.891 1.00 70.22 N ATOM 872 CA TYR A 51 -2.809 -12.807 8.273 1.00 53.32 C ATOM 873 C TYR A 51 -3.002 -13.622 7.002 1.00 53.25 C ATOM 874 O TYR A 51 -3.875 -13.319 6.195 1.00 2.42 O ATOM 875 CB TYR A 51 -4.029 -12.962 9.221 1.00 2.25 C ATOM 876 CG TYR A 51 -3.838 -12.271 10.578 1.00 20.11 C ATOM 877 CD1 TYR A 51 -3.030 -12.839 11.567 1.00 30.42 C ATOM 878 CD2 TYR A 51 -4.441 -11.039 10.857 1.00 53.12 C ATOM 879 CE1 TYR A 51 -2.836 -12.206 12.782 1.00 61.40 C ATOM 880 CE2 TYR A 51 -4.241 -10.405 12.069 1.00 22.23 C ATOM 881 CZ TYR A 51 -3.442 -10.992 13.027 1.00 72.35 C ATOM 882 OH TYR A 51 -3.243 -10.356 14.239 1.00 35.42 O ATOM 0 H TYR A 51 -3.273 -11.083 7.189 1.00 70.22 H new ATOM 0 HA TYR A 51 -1.937 -13.167 8.819 1.00 53.32 H new ATOM 0 HB2 TYR A 51 -4.913 -12.551 8.734 1.00 2.25 H new ATOM 0 HB3 TYR A 51 -4.220 -14.023 9.385 1.00 2.25 H new ATOM 0 HD1 TYR A 51 -2.549 -13.788 11.380 1.00 30.42 H new ATOM 0 HD2 TYR A 51 -5.073 -10.576 10.113 1.00 53.12 H new ATOM 0 HE1 TYR A 51 -2.212 -12.662 13.536 1.00 61.40 H new ATOM 0 HE2 TYR A 51 -4.710 -9.452 12.265 1.00 22.23 H new ATOM 0 HH TYR A 51 -3.739 -9.511 14.250 1.00 35.42 H new ATOM 1081 N PHE A 63 3.642 -7.362 10.156 1.00 54.15 N ATOM 1082 CA PHE A 63 2.965 -6.058 10.157 1.00 74.51 C ATOM 1083 C PHE A 63 3.905 -4.968 9.607 1.00 53.02 C ATOM 1084 O PHE A 63 5.077 -5.228 9.318 1.00 64.15 O ATOM 1085 CB PHE A 63 2.436 -5.693 11.583 1.00 1.43 C ATOM 1086 CG PHE A 63 3.480 -5.726 12.699 1.00 41.11 C ATOM 1087 CD1 PHE A 63 4.315 -4.631 12.943 1.00 35.31 C ATOM 1088 CD2 PHE A 63 3.617 -6.853 13.512 1.00 14.14 C ATOM 1089 CE1 PHE A 63 5.248 -4.668 13.962 1.00 23.22 C ATOM 1090 CE2 PHE A 63 4.551 -6.887 14.529 1.00 0.41 C ATOM 1091 CZ PHE A 63 5.366 -5.794 14.753 1.00 30.15 C ATOM 0 HA PHE A 63 2.097 -6.121 9.501 1.00 74.51 H new ATOM 0 HB2 PHE A 63 2.001 -4.694 11.546 1.00 1.43 H new ATOM 0 HB3 PHE A 63 1.632 -6.382 11.841 1.00 1.43 H new ATOM 0 HD1 PHE A 63 4.230 -3.747 12.329 1.00 35.31 H new ATOM 0 HD2 PHE A 63 2.983 -7.711 13.343 1.00 14.14 H new ATOM 0 HE1 PHE A 63 5.886 -3.815 14.140 1.00 23.22 H new ATOM 0 HE2 PHE A 63 4.644 -7.767 15.148 1.00 0.41 H new ATOM 0 HZ PHE A 63 6.097 -5.820 15.548 1.00 30.15 H new ATOM 1101 N ILE A 64 3.357 -3.761 9.448 1.00 51.43 N ATOM 1102 CA ILE A 64 4.110 -2.540 9.117 1.00 4.10 C ATOM 1103 C ILE A 64 3.698 -1.451 10.114 1.00 61.31 C ATOM 1104 O ILE A 64 2.515 -1.279 10.372 1.00 24.12 O ATOM 1105 CB ILE A 64 3.809 -2.042 7.647 1.00 31.13 C ATOM 1106 CG1 ILE A 64 4.193 -3.135 6.602 1.00 33.13 C ATOM 1107 CG2 ILE A 64 4.537 -0.706 7.336 1.00 61.14 C ATOM 1108 CD1 ILE A 64 3.868 -2.779 5.166 1.00 14.54 C ATOM 0 H ILE A 64 2.355 -3.597 9.547 1.00 51.43 H new ATOM 0 HA ILE A 64 5.177 -2.755 9.177 1.00 4.10 H new ATOM 0 HB ILE A 64 2.737 -1.858 7.576 1.00 31.13 H new ATOM 0 HG12 ILE A 64 5.262 -3.333 6.680 1.00 33.13 H new ATOM 0 HG13 ILE A 64 3.678 -4.061 6.858 1.00 33.13 H new ATOM 0 HG21 ILE A 64 4.307 -0.395 6.317 1.00 61.14 H new ATOM 0 HG22 ILE A 64 4.203 0.061 8.034 1.00 61.14 H new ATOM 0 HG23 ILE A 64 5.613 -0.846 7.438 1.00 61.14 H new ATOM 0 HD11 ILE A 64 4.170 -3.597 4.511 1.00 14.54 H new ATOM 0 HD12 ILE A 64 2.796 -2.611 5.067 1.00 14.54 H new ATOM 0 HD13 ILE A 64 4.405 -1.873 4.885 1.00 14.54 H new ATOM 1120 N ASP A 65 4.669 -0.725 10.669 1.00 14.13 N ATOM 1121 CA ASP A 65 4.380 0.434 11.524 1.00 31.50 C ATOM 1122 C ASP A 65 3.969 1.631 10.635 1.00 62.24 C ATOM 1123 O ASP A 65 4.642 1.919 9.637 1.00 20.33 O ATOM 1124 CB ASP A 65 5.612 0.780 12.389 1.00 73.55 C ATOM 1125 CG ASP A 65 5.415 2.063 13.216 1.00 71.45 C ATOM 1126 OD1 ASP A 65 4.571 2.058 14.130 1.00 21.32 O ATOM 1127 OD2 ASP A 65 6.090 3.081 12.943 1.00 51.43 O ATOM 0 H ASP A 65 5.663 -0.916 10.544 1.00 14.13 H new ATOM 0 HA ASP A 65 3.557 0.198 12.198 1.00 31.50 H new ATOM 0 HB2 ASP A 65 5.824 -0.052 13.061 1.00 73.55 H new ATOM 0 HB3 ASP A 65 6.482 0.899 11.744 1.00 73.55 H new ATOM 1132 N VAL A 66 2.879 2.316 11.019 1.00 24.32 N ATOM 1133 CA VAL A 66 2.259 3.401 10.222 1.00 23.01 C ATOM 1134 C VAL A 66 3.180 4.647 10.136 1.00 73.43 C ATOM 1135 O VAL A 66 3.217 5.328 9.105 1.00 13.34 O ATOM 1136 CB VAL A 66 0.832 3.782 10.795 1.00 14.14 C ATOM 1137 CG1 VAL A 66 0.220 5.013 10.083 1.00 70.15 C ATOM 1138 CG2 VAL A 66 -0.134 2.571 10.716 1.00 63.35 C ATOM 0 H VAL A 66 2.395 2.135 11.898 1.00 24.32 H new ATOM 0 HA VAL A 66 2.125 3.027 9.207 1.00 23.01 H new ATOM 0 HB VAL A 66 0.973 4.053 11.841 1.00 14.14 H new ATOM 0 HG11 VAL A 66 -0.757 5.233 10.512 1.00 70.15 H new ATOM 0 HG12 VAL A 66 0.876 5.873 10.215 1.00 70.15 H new ATOM 0 HG13 VAL A 66 0.110 4.801 9.020 1.00 70.15 H new ATOM 0 HG21 VAL A 66 -1.108 2.856 11.115 1.00 63.35 H new ATOM 0 HG22 VAL A 66 -0.244 2.261 9.677 1.00 63.35 H new ATOM 0 HG23 VAL A 66 0.270 1.745 11.301 1.00 63.35 H new ATOM 1148 N SER A 67 3.951 4.908 11.209 1.00 41.31 N ATOM 1149 CA SER A 67 4.875 6.063 11.275 1.00 3.52 C ATOM 1150 C SER A 67 6.098 5.867 10.345 1.00 33.32 C ATOM 1151 O SER A 67 6.768 6.841 9.990 1.00 41.24 O ATOM 1152 CB SER A 67 5.327 6.307 12.732 1.00 53.11 C ATOM 1153 OG SER A 67 4.213 6.452 13.600 1.00 52.25 O ATOM 0 H SER A 67 3.953 4.331 12.050 1.00 41.31 H new ATOM 0 HA SER A 67 4.336 6.943 10.924 1.00 3.52 H new ATOM 0 HB2 SER A 67 5.946 5.475 13.067 1.00 53.11 H new ATOM 0 HB3 SER A 67 5.946 7.203 12.778 1.00 53.11 H new ATOM 0 HG SER A 67 4.529 6.604 14.515 1.00 52.25 H new ATOM 1159 N LYS A 68 6.375 4.600 9.963 1.00 30.43 N ATOM 1160 CA LYS A 68 7.464 4.264 9.019 1.00 24.31 C ATOM 1161 C LYS A 68 7.068 4.607 7.576 1.00 21.00 C ATOM 1162 O LYS A 68 7.934 4.805 6.723 1.00 53.11 O ATOM 1163 CB LYS A 68 7.830 2.753 9.118 1.00 24.14 C ATOM 1164 CG LYS A 68 8.330 2.304 10.504 1.00 20.52 C ATOM 1165 CD LYS A 68 9.630 3.011 10.938 1.00 63.23 C ATOM 1166 CE LYS A 68 10.009 2.704 12.397 1.00 63.41 C ATOM 1167 NZ LYS A 68 8.967 3.185 13.353 1.00 13.42 N ATOM 0 H LYS A 68 5.855 3.788 10.297 1.00 30.43 H new ATOM 0 HA LYS A 68 8.335 4.860 9.293 1.00 24.31 H new ATOM 0 HB2 LYS A 68 6.953 2.162 8.854 1.00 24.14 H new ATOM 0 HB3 LYS A 68 8.599 2.530 8.379 1.00 24.14 H new ATOM 0 HG2 LYS A 68 7.554 2.498 11.244 1.00 20.52 H new ATOM 0 HG3 LYS A 68 8.496 1.227 10.492 1.00 20.52 H new ATOM 0 HD2 LYS A 68 10.444 2.702 10.282 1.00 63.23 H new ATOM 0 HD3 LYS A 68 9.513 4.088 10.815 1.00 63.23 H new ATOM 0 HE2 LYS A 68 10.146 1.630 12.519 1.00 63.41 H new ATOM 0 HE3 LYS A 68 10.963 3.176 12.632 1.00 63.41 H new ATOM 0 HZ1 LYS A 68 9.281 3.006 14.328 1.00 13.42 H new ATOM 0 HZ2 LYS A 68 8.818 4.206 13.219 1.00 13.42 H new ATOM 0 HZ3 LYS A 68 8.075 2.679 13.178 1.00 13.42 H new ATOM 1181 N ILE A 69 5.751 4.667 7.321 1.00 23.33 N ATOM 1182 CA ILE A 69 5.215 4.881 5.974 1.00 44.43 C ATOM 1183 C ILE A 69 5.513 6.320 5.516 1.00 2.50 C ATOM 1184 O ILE A 69 5.025 7.287 6.115 1.00 3.43 O ATOM 1185 CB ILE A 69 3.671 4.588 5.891 1.00 52.34 C ATOM 1186 CG1 ILE A 69 3.341 3.152 6.409 1.00 3.25 C ATOM 1187 CG2 ILE A 69 3.155 4.787 4.446 1.00 64.20 C ATOM 1188 CD1 ILE A 69 1.851 2.809 6.451 1.00 63.21 C ATOM 0 H ILE A 69 5.035 4.569 8.040 1.00 23.33 H new ATOM 0 HA ILE A 69 5.709 4.175 5.307 1.00 44.43 H new ATOM 0 HB ILE A 69 3.158 5.300 6.538 1.00 52.34 H new ATOM 0 HG12 ILE A 69 3.848 2.427 5.773 1.00 3.25 H new ATOM 0 HG13 ILE A 69 3.753 3.040 7.412 1.00 3.25 H new ATOM 0 HG21 ILE A 69 2.086 4.580 4.410 1.00 64.20 H new ATOM 0 HG22 ILE A 69 3.336 5.815 4.133 1.00 64.20 H new ATOM 0 HG23 ILE A 69 3.680 4.106 3.775 1.00 64.20 H new ATOM 0 HD11 ILE A 69 1.722 1.793 6.824 1.00 63.21 H new ATOM 0 HD12 ILE A 69 1.336 3.506 7.112 1.00 63.21 H new ATOM 0 HD13 ILE A 69 1.432 2.883 5.447 1.00 63.21 H new ATOM 1200 N LYS A 70 6.362 6.422 4.482 1.00 33.23 N ATOM 1201 CA LYS A 70 6.786 7.696 3.877 1.00 22.34 C ATOM 1202 C LYS A 70 5.888 8.113 2.689 1.00 70.34 C ATOM 1203 O LYS A 70 6.024 9.230 2.185 1.00 52.31 O ATOM 1204 CB LYS A 70 8.250 7.576 3.390 1.00 12.14 C ATOM 1205 CG LYS A 70 9.259 7.069 4.449 1.00 2.03 C ATOM 1206 CD LYS A 70 10.731 7.277 4.011 1.00 52.13 C ATOM 1207 CE LYS A 70 11.079 6.601 2.671 1.00 54.14 C ATOM 1208 NZ LYS A 70 12.442 6.996 2.190 1.00 63.54 N ATOM 0 H LYS A 70 6.781 5.607 4.034 1.00 33.23 H new ATOM 0 HA LYS A 70 6.698 8.465 4.645 1.00 22.34 H new ATOM 0 HB2 LYS A 70 8.277 6.902 2.534 1.00 12.14 H new ATOM 0 HB3 LYS A 70 8.579 8.553 3.036 1.00 12.14 H new ATOM 0 HG2 LYS A 70 9.086 7.590 5.390 1.00 2.03 H new ATOM 0 HG3 LYS A 70 9.085 6.009 4.635 1.00 2.03 H new ATOM 0 HD2 LYS A 70 10.930 8.346 3.931 1.00 52.13 H new ATOM 0 HD3 LYS A 70 11.390 6.887 4.787 1.00 52.13 H new ATOM 0 HE2 LYS A 70 11.033 5.518 2.787 1.00 54.14 H new ATOM 0 HE3 LYS A 70 10.335 6.873 1.922 1.00 54.14 H new ATOM 0 HZ1 LYS A 70 12.545 6.738 1.188 1.00 63.54 H new ATOM 0 HZ2 LYS A 70 12.564 8.023 2.297 1.00 63.54 H new ATOM 0 HZ3 LYS A 70 13.165 6.502 2.751 1.00 63.54 H new ATOM 1222 N CYS A 71 4.988 7.209 2.245 1.00 14.45 N ATOM 1223 CA CYS A 71 4.081 7.470 1.099 1.00 24.43 C ATOM 1224 C CYS A 71 3.098 6.308 0.889 1.00 13.51 C ATOM 1225 O CYS A 71 3.488 5.140 0.957 1.00 74.15 O ATOM 1226 CB CYS A 71 4.875 7.703 -0.217 1.00 63.12 C ATOM 1227 SG CYS A 71 3.836 7.939 -1.688 1.00 74.21 S ATOM 0 H CYS A 71 4.868 6.287 2.663 1.00 14.45 H new ATOM 0 HA CYS A 71 3.524 8.374 1.343 1.00 24.43 H new ATOM 0 HB2 CYS A 71 5.512 8.579 -0.093 1.00 63.12 H new ATOM 0 HB3 CYS A 71 5.534 6.851 -0.385 1.00 63.12 H new ATOM 0 HG CYS A 71 3.453 9.179 -1.754 1.00 74.21 H new ATOM 1233 N VAL A 72 1.816 6.646 0.654 1.00 53.34 N ATOM 1234 CA VAL A 72 0.800 5.714 0.122 1.00 3.41 C ATOM 1235 C VAL A 72 0.118 6.379 -1.079 1.00 23.12 C ATOM 1236 O VAL A 72 -0.438 7.472 -0.960 1.00 65.31 O ATOM 1237 CB VAL A 72 -0.289 5.272 1.177 1.00 11.03 C ATOM 1238 CG1 VAL A 72 -1.461 4.511 0.496 1.00 72.43 C ATOM 1239 CG2 VAL A 72 0.350 4.403 2.278 1.00 32.31 C ATOM 0 H VAL A 72 1.452 7.582 0.829 1.00 53.34 H new ATOM 0 HA VAL A 72 1.321 4.800 -0.163 1.00 3.41 H new ATOM 0 HB VAL A 72 -0.697 6.174 1.634 1.00 11.03 H new ATOM 0 HG11 VAL A 72 -2.193 4.221 1.250 1.00 72.43 H new ATOM 0 HG12 VAL A 72 -1.936 5.159 -0.241 1.00 72.43 H new ATOM 0 HG13 VAL A 72 -1.077 3.619 0.001 1.00 72.43 H new ATOM 0 HG21 VAL A 72 -0.414 4.107 2.997 1.00 32.31 H new ATOM 0 HG22 VAL A 72 0.790 3.513 1.829 1.00 32.31 H new ATOM 0 HG23 VAL A 72 1.126 4.974 2.788 1.00 32.31 H new ATOM 1249 N GLU A 73 0.184 5.695 -2.221 1.00 51.30 N ATOM 1250 CA GLU A 73 -0.433 6.116 -3.486 1.00 72.35 C ATOM 1251 C GLU A 73 -0.639 4.830 -4.314 1.00 12.55 C ATOM 1252 O GLU A 73 0.000 3.810 -4.035 1.00 71.45 O ATOM 1253 CB GLU A 73 0.485 7.166 -4.226 1.00 12.24 C ATOM 1254 CG GLU A 73 -0.255 8.338 -4.926 1.00 23.25 C ATOM 1255 CD GLU A 73 -1.228 7.912 -6.035 1.00 43.32 C ATOM 1256 OE1 GLU A 73 -0.781 7.638 -7.172 1.00 35.11 O ATOM 1257 OE2 GLU A 73 -2.446 7.834 -5.773 1.00 51.31 O ATOM 0 H GLU A 73 0.681 4.808 -2.297 1.00 51.30 H new ATOM 0 HA GLU A 73 -1.388 6.617 -3.327 1.00 72.35 H new ATOM 0 HB2 GLU A 73 1.183 7.584 -3.501 1.00 12.24 H new ATOM 0 HB3 GLU A 73 1.078 6.639 -4.973 1.00 12.24 H new ATOM 0 HG2 GLU A 73 -0.807 8.902 -4.174 1.00 23.25 H new ATOM 0 HG3 GLU A 73 0.486 9.015 -5.352 1.00 23.25 H new ATOM 1264 N ILE A 74 -1.537 4.860 -5.296 1.00 61.23 N ATOM 1265 CA ILE A 74 -1.770 3.696 -6.172 1.00 44.43 C ATOM 1266 C ILE A 74 -0.695 3.587 -7.253 1.00 3.32 C ATOM 1267 O ILE A 74 0.017 4.560 -7.559 1.00 52.15 O ATOM 1268 CB ILE A 74 -3.221 3.699 -6.793 1.00 2.20 C ATOM 1269 CG1 ILE A 74 -3.561 5.021 -7.554 1.00 40.34 C ATOM 1270 CG2 ILE A 74 -4.254 3.448 -5.690 1.00 51.21 C ATOM 1271 CD1 ILE A 74 -3.145 5.071 -9.008 1.00 24.55 C ATOM 0 H ILE A 74 -2.117 5.671 -5.511 1.00 61.23 H new ATOM 0 HA ILE A 74 -1.698 2.807 -5.546 1.00 44.43 H new ATOM 0 HB ILE A 74 -3.253 2.898 -7.531 1.00 2.20 H new ATOM 0 HG12 ILE A 74 -4.637 5.183 -7.498 1.00 40.34 H new ATOM 0 HG13 ILE A 74 -3.086 5.851 -7.031 1.00 40.34 H new ATOM 0 HG21 ILE A 74 -5.255 3.451 -6.122 1.00 51.21 H new ATOM 0 HG22 ILE A 74 -4.062 2.481 -5.225 1.00 51.21 H new ATOM 0 HG23 ILE A 74 -4.181 4.233 -4.938 1.00 51.21 H new ATOM 0 HD11 ILE A 74 -3.430 6.032 -9.435 1.00 24.55 H new ATOM 0 HD12 ILE A 74 -2.065 4.947 -9.082 1.00 24.55 H new ATOM 0 HD13 ILE A 74 -3.640 4.269 -9.556 1.00 24.55 H new ATOM 1283 N VAL A 75 -0.622 2.401 -7.857 1.00 45.20 N ATOM 1284 CA VAL A 75 0.373 2.070 -8.874 1.00 52.23 C ATOM 1285 C VAL A 75 -0.315 2.195 -10.245 1.00 0.15 C ATOM 1286 O VAL A 75 -1.351 1.563 -10.469 1.00 34.40 O ATOM 1287 CB VAL A 75 0.933 0.604 -8.676 1.00 51.14 C ATOM 1288 CG1 VAL A 75 2.084 0.304 -9.664 1.00 64.33 C ATOM 1289 CG2 VAL A 75 1.371 0.362 -7.211 1.00 15.14 C ATOM 0 H VAL A 75 -1.261 1.634 -7.650 1.00 45.20 H new ATOM 0 HA VAL A 75 1.222 2.749 -8.798 1.00 52.23 H new ATOM 0 HB VAL A 75 0.122 -0.090 -8.895 1.00 51.14 H new ATOM 0 HG11 VAL A 75 2.447 -0.711 -9.502 1.00 64.33 H new ATOM 0 HG12 VAL A 75 1.720 0.401 -10.687 1.00 64.33 H new ATOM 0 HG13 VAL A 75 2.898 1.011 -9.500 1.00 64.33 H new ATOM 0 HG21 VAL A 75 1.751 -0.654 -7.108 1.00 15.14 H new ATOM 0 HG22 VAL A 75 2.154 1.071 -6.944 1.00 15.14 H new ATOM 0 HG23 VAL A 75 0.516 0.499 -6.548 1.00 15.14 H new ATOM 1299 N LYS A 76 0.229 3.037 -11.123 1.00 51.25 N ATOM 1300 CA LYS A 76 -0.300 3.261 -12.476 1.00 51.24 C ATOM 1301 C LYS A 76 0.566 2.493 -13.471 1.00 20.12 C ATOM 1302 O LYS A 76 1.656 2.942 -13.818 1.00 75.33 O ATOM 1303 CB LYS A 76 -0.308 4.786 -12.788 1.00 25.44 C ATOM 1304 CG LYS A 76 -1.429 5.559 -12.057 1.00 1.42 C ATOM 1305 CD LYS A 76 -1.163 7.080 -11.932 1.00 22.12 C ATOM 1306 CE LYS A 76 0.074 7.388 -11.075 1.00 0.50 C ATOM 1307 NZ LYS A 76 -0.017 6.775 -9.712 1.00 60.22 N ATOM 0 H LYS A 76 1.060 3.591 -10.916 1.00 51.25 H new ATOM 0 HA LYS A 76 -1.326 2.900 -12.552 1.00 51.24 H new ATOM 0 HB2 LYS A 76 0.656 5.211 -12.510 1.00 25.44 H new ATOM 0 HB3 LYS A 76 -0.421 4.928 -13.863 1.00 25.44 H new ATOM 0 HG2 LYS A 76 -2.368 5.407 -12.589 1.00 1.42 H new ATOM 0 HG3 LYS A 76 -1.556 5.139 -11.059 1.00 1.42 H new ATOM 0 HD2 LYS A 76 -1.028 7.506 -12.926 1.00 22.12 H new ATOM 0 HD3 LYS A 76 -2.036 7.564 -11.493 1.00 22.12 H new ATOM 0 HE2 LYS A 76 0.966 7.017 -11.580 1.00 0.50 H new ATOM 0 HE3 LYS A 76 0.188 8.468 -10.979 1.00 0.50 H new ATOM 0 HZ1 LYS A 76 0.518 7.355 -9.034 1.00 60.22 H new ATOM 0 HZ2 LYS A 76 -1.013 6.729 -9.418 1.00 60.22 H new ATOM 0 HZ3 LYS A 76 0.382 5.815 -9.736 1.00 60.22 H new ATOM 1382 N ILE A 82 -3.830 -6.815 -15.097 1.00 10.15 N ATOM 1383 CA ILE A 82 -3.036 -7.187 -13.917 1.00 33.24 C ATOM 1384 C ILE A 82 -3.041 -8.732 -13.767 1.00 53.15 C ATOM 1385 O ILE A 82 -4.111 -9.330 -13.808 1.00 24.23 O ATOM 1386 CB ILE A 82 -3.592 -6.478 -12.611 1.00 24.23 C ATOM 1387 CG1 ILE A 82 -3.639 -4.920 -12.798 1.00 2.42 C ATOM 1388 CG2 ILE A 82 -2.778 -6.864 -11.347 1.00 33.54 C ATOM 1389 CD1 ILE A 82 -2.298 -4.248 -13.099 1.00 3.23 C ATOM 0 HA ILE A 82 -2.009 -6.848 -14.052 1.00 33.24 H new ATOM 0 HB ILE A 82 -4.610 -6.836 -12.457 1.00 24.23 H new ATOM 0 HG12 ILE A 82 -4.330 -4.690 -13.609 1.00 2.42 H new ATOM 0 HG13 ILE A 82 -4.052 -4.476 -11.892 1.00 2.42 H new ATOM 0 HG21 ILE A 82 -3.194 -6.356 -10.477 1.00 33.54 H new ATOM 0 HG22 ILE A 82 -2.830 -7.942 -11.196 1.00 33.54 H new ATOM 0 HG23 ILE A 82 -1.738 -6.566 -11.479 1.00 33.54 H new ATOM 0 HD11 ILE A 82 -2.446 -3.174 -13.209 1.00 3.23 H new ATOM 0 HD12 ILE A 82 -1.604 -4.437 -12.279 1.00 3.23 H new ATOM 0 HD13 ILE A 82 -1.887 -4.654 -14.023 1.00 3.23 H new ATOM 1401 N PRO A 83 -1.848 -9.405 -13.653 1.00 64.24 N ATOM 1402 CA PRO A 83 -1.757 -10.887 -13.501 1.00 52.21 C ATOM 1403 C PRO A 83 -2.180 -11.379 -12.089 1.00 64.22 C ATOM 1404 O PRO A 83 -1.382 -11.967 -11.328 1.00 23.40 O ATOM 1405 CB PRO A 83 -0.265 -11.175 -13.820 1.00 25.33 C ATOM 1406 CG PRO A 83 0.465 -9.923 -13.445 1.00 61.43 C ATOM 1407 CD PRO A 83 -0.495 -8.778 -13.699 1.00 24.41 C ATOM 0 HA PRO A 83 -2.442 -11.423 -14.158 1.00 52.21 H new ATOM 0 HB2 PRO A 83 0.101 -12.030 -13.251 1.00 25.33 H new ATOM 0 HB3 PRO A 83 -0.126 -11.411 -14.875 1.00 25.33 H new ATOM 0 HG2 PRO A 83 0.770 -9.950 -12.399 1.00 61.43 H new ATOM 0 HG3 PRO A 83 1.372 -9.809 -14.039 1.00 61.43 H new ATOM 0 HD2 PRO A 83 -0.393 -8.000 -12.943 1.00 24.41 H new ATOM 0 HD3 PRO A 83 -0.307 -8.310 -14.665 1.00 24.41 H new ATOM 1415 N CYS A 84 -3.474 -11.145 -11.793 1.00 14.23 N ATOM 1416 CA CYS A 84 -4.145 -11.487 -10.529 1.00 1.20 C ATOM 1417 C CYS A 84 -5.646 -11.113 -10.646 1.00 12.40 C ATOM 1418 O CYS A 84 -6.061 -10.490 -11.640 1.00 54.41 O ATOM 1419 CB CYS A 84 -3.496 -10.762 -9.323 1.00 73.21 C ATOM 1420 SG CYS A 84 -3.930 -11.497 -7.731 1.00 73.14 S ATOM 0 H CYS A 84 -4.103 -10.694 -12.457 1.00 14.23 H new ATOM 0 HA CYS A 84 -4.040 -12.557 -10.351 1.00 1.20 H new ATOM 0 HB2 CYS A 84 -2.412 -10.777 -9.439 1.00 73.21 H new ATOM 0 HB3 CYS A 84 -3.803 -9.716 -9.328 1.00 73.21 H new ATOM 0 HG CYS A 84 -4.712 -10.689 -7.079 1.00 73.14 H new ATOM 1426 N GLN A 85 -6.451 -11.479 -9.628 1.00 14.00 N ATOM 1427 CA GLN A 85 -7.911 -11.169 -9.606 1.00 62.23 C ATOM 1428 C GLN A 85 -8.175 -9.695 -9.209 1.00 43.55 C ATOM 1429 O GLN A 85 -9.291 -9.190 -9.366 1.00 64.32 O ATOM 1430 CB GLN A 85 -8.652 -12.128 -8.629 1.00 34.53 C ATOM 1431 CG GLN A 85 -8.368 -11.877 -7.124 1.00 23.31 C ATOM 1432 CD GLN A 85 -9.073 -12.864 -6.188 1.00 63.54 C ATOM 1433 OE1 GLN A 85 -8.509 -13.063 -5.012 1.00 62.20 O flip ATOM 1434 NE2 GLN A 85 -10.132 -13.414 -6.507 1.00 74.24 N flip ATOM 0 H GLN A 85 -6.124 -11.989 -8.808 1.00 14.00 H new ATOM 0 HA GLN A 85 -8.296 -11.317 -10.615 1.00 62.23 H new ATOM 0 HB2 GLN A 85 -9.725 -12.040 -8.801 1.00 34.53 H new ATOM 0 HB3 GLN A 85 -8.374 -13.154 -8.870 1.00 34.53 H new ATOM 0 HG2 GLN A 85 -7.293 -11.933 -6.953 1.00 23.31 H new ATOM 0 HG3 GLN A 85 -8.679 -10.864 -6.869 1.00 23.31 H new ATOM 0 HE21 GLN A 85 -10.542 -13.238 -7.424 1.00 74.24 H new ATOM 0 HE22 GLN A 85 -10.597 -14.044 -5.853 1.00 74.24 H new ATOM 1443 N ASN A 86 -7.131 -9.033 -8.706 1.00 45.41 N ATOM 1444 CA ASN A 86 -7.210 -7.681 -8.130 1.00 63.25 C ATOM 1445 C ASN A 86 -7.180 -6.593 -9.216 1.00 60.41 C ATOM 1446 O ASN A 86 -6.531 -6.757 -10.258 1.00 4.51 O ATOM 1447 CB ASN A 86 -6.031 -7.477 -7.147 1.00 1.21 C ATOM 1448 CG ASN A 86 -5.968 -8.551 -6.054 1.00 33.50 C ATOM 1449 OD1 ASN A 86 -5.387 -9.604 -6.259 1.00 4.41 O ATOM 1450 ND2 ASN A 86 -6.542 -8.294 -4.889 1.00 11.11 N ATOM 0 H ASN A 86 -6.189 -9.424 -8.685 1.00 45.41 H new ATOM 0 HA ASN A 86 -8.160 -7.591 -7.603 1.00 63.25 H new ATOM 0 HB2 ASN A 86 -5.095 -7.480 -7.706 1.00 1.21 H new ATOM 0 HB3 ASN A 86 -6.120 -6.496 -6.680 1.00 1.21 H new ATOM 0 HD21 ASN A 86 -6.504 -8.984 -4.139 1.00 11.11 H new ATOM 0 HD22 ASN A 86 -7.022 -7.406 -4.742 1.00 11.11 H new ATOM 1457 N LYS A 87 -7.882 -5.478 -8.949 1.00 11.03 N ATOM 1458 CA LYS A 87 -7.889 -4.272 -9.804 1.00 44.51 C ATOM 1459 C LYS A 87 -7.329 -3.077 -9.012 1.00 35.22 C ATOM 1460 O LYS A 87 -7.794 -2.805 -7.895 1.00 54.11 O ATOM 1461 CB LYS A 87 -9.323 -3.932 -10.304 1.00 51.50 C ATOM 1462 CG LYS A 87 -9.868 -4.843 -11.424 1.00 23.32 C ATOM 1463 CD LYS A 87 -11.247 -4.355 -11.931 1.00 21.10 C ATOM 1464 CE LYS A 87 -11.721 -5.102 -13.183 1.00 4.44 C ATOM 1465 NZ LYS A 87 -11.907 -6.559 -12.943 1.00 74.50 N ATOM 0 H LYS A 87 -8.470 -5.385 -8.121 1.00 11.03 H new ATOM 0 HA LYS A 87 -7.265 -4.474 -10.675 1.00 44.51 H new ATOM 0 HB2 LYS A 87 -10.006 -3.980 -9.456 1.00 51.50 H new ATOM 0 HB3 LYS A 87 -9.330 -2.902 -10.661 1.00 51.50 H new ATOM 0 HG2 LYS A 87 -9.161 -4.865 -12.253 1.00 23.32 H new ATOM 0 HG3 LYS A 87 -9.956 -5.864 -11.053 1.00 23.32 H new ATOM 0 HD2 LYS A 87 -11.985 -4.480 -11.138 1.00 21.10 H new ATOM 0 HD3 LYS A 87 -11.191 -3.289 -12.150 1.00 21.10 H new ATOM 0 HE2 LYS A 87 -12.662 -4.671 -13.525 1.00 4.44 H new ATOM 0 HE3 LYS A 87 -10.995 -4.959 -13.984 1.00 4.44 H new ATOM 0 HZ1 LYS A 87 -12.228 -7.017 -13.820 1.00 74.50 H new ATOM 0 HZ2 LYS A 87 -11.004 -6.979 -12.643 1.00 74.50 H new ATOM 0 HZ3 LYS A 87 -12.619 -6.700 -12.198 1.00 74.50 H new ATOM 1479 N TYR A 88 -6.369 -2.365 -9.633 1.00 73.42 N ATOM 1480 CA TYR A 88 -5.757 -1.140 -9.084 1.00 61.24 C ATOM 1481 C TYR A 88 -5.044 -1.396 -7.725 1.00 13.23 C ATOM 1482 O TYR A 88 -5.627 -1.174 -6.651 1.00 41.22 O ATOM 1483 CB TYR A 88 -6.804 0.007 -8.981 1.00 51.33 C ATOM 1484 CG TYR A 88 -7.361 0.483 -10.339 1.00 72.13 C ATOM 1485 CD1 TYR A 88 -8.477 -0.126 -10.924 1.00 21.41 C ATOM 1486 CD2 TYR A 88 -6.767 1.543 -11.037 1.00 22.02 C ATOM 1487 CE1 TYR A 88 -8.972 0.300 -12.146 1.00 51.34 C ATOM 1488 CE2 TYR A 88 -7.265 1.972 -12.257 1.00 3.42 C ATOM 1489 CZ TYR A 88 -8.364 1.348 -12.807 1.00 70.13 C ATOM 1490 OH TYR A 88 -8.852 1.773 -14.031 1.00 22.41 O ATOM 0 H TYR A 88 -5.992 -2.629 -10.543 1.00 73.42 H new ATOM 0 HA TYR A 88 -4.983 -0.823 -9.782 1.00 61.24 H new ATOM 0 HB2 TYR A 88 -7.634 -0.329 -8.359 1.00 51.33 H new ATOM 0 HB3 TYR A 88 -6.347 0.855 -8.472 1.00 51.33 H new ATOM 0 HD1 TYR A 88 -8.962 -0.944 -10.413 1.00 21.41 H new ATOM 0 HD2 TYR A 88 -5.903 2.036 -10.616 1.00 22.02 H new ATOM 0 HE1 TYR A 88 -9.832 -0.187 -12.581 1.00 51.34 H new ATOM 0 HE2 TYR A 88 -6.793 2.793 -12.776 1.00 3.42 H new ATOM 0 HH TYR A 88 -8.309 2.520 -14.358 1.00 22.41 H new ATOM 1500 N PRO A 89 -3.772 -1.904 -7.759 1.00 34.31 N ATOM 1501 CA PRO A 89 -2.953 -2.073 -6.542 1.00 74.04 C ATOM 1502 C PRO A 89 -2.486 -0.724 -5.974 1.00 32.20 C ATOM 1503 O PRO A 89 -2.300 0.244 -6.722 1.00 33.54 O ATOM 1504 CB PRO A 89 -1.756 -2.919 -7.036 1.00 23.10 C ATOM 1505 CG PRO A 89 -1.625 -2.582 -8.489 1.00 32.23 C ATOM 1506 CD PRO A 89 -3.040 -2.363 -8.980 1.00 60.34 C ATOM 0 HA PRO A 89 -3.504 -2.542 -5.727 1.00 74.04 H new ATOM 0 HB2 PRO A 89 -0.846 -2.674 -6.489 1.00 23.10 H new ATOM 0 HB3 PRO A 89 -1.938 -3.984 -6.891 1.00 23.10 H new ATOM 0 HG2 PRO A 89 -1.017 -1.689 -8.632 1.00 32.23 H new ATOM 0 HG3 PRO A 89 -1.139 -3.389 -9.037 1.00 32.23 H new ATOM 0 HD2 PRO A 89 -3.077 -1.617 -9.774 1.00 60.34 H new ATOM 0 HD3 PRO A 89 -3.470 -3.280 -9.384 1.00 60.34 H new ATOM 1514 N PHE A 90 -2.330 -0.652 -4.649 1.00 42.43 N ATOM 1515 CA PHE A 90 -1.707 0.494 -3.982 1.00 60.42 C ATOM 1516 C PHE A 90 -0.375 0.059 -3.378 1.00 20.23 C ATOM 1517 O PHE A 90 -0.209 -1.099 -2.973 1.00 30.25 O ATOM 1518 CB PHE A 90 -2.653 1.106 -2.906 1.00 51.45 C ATOM 1519 CG PHE A 90 -3.114 0.150 -1.786 1.00 3.03 C ATOM 1520 CD1 PHE A 90 -4.266 -0.635 -1.936 1.00 32.21 C ATOM 1521 CD2 PHE A 90 -2.404 0.043 -0.581 1.00 23.05 C ATOM 1522 CE1 PHE A 90 -4.683 -1.492 -0.925 1.00 3.30 C ATOM 1523 CE2 PHE A 90 -2.826 -0.814 0.422 1.00 24.31 C ATOM 1524 CZ PHE A 90 -3.962 -1.577 0.249 1.00 65.43 C ATOM 0 H PHE A 90 -2.632 -1.387 -4.009 1.00 42.43 H new ATOM 0 HA PHE A 90 -1.522 1.278 -4.716 1.00 60.42 H new ATOM 0 HB2 PHE A 90 -2.146 1.954 -2.446 1.00 51.45 H new ATOM 0 HB3 PHE A 90 -3.537 1.497 -3.409 1.00 51.45 H new ATOM 0 HD1 PHE A 90 -4.837 -0.573 -2.850 1.00 32.21 H new ATOM 0 HD2 PHE A 90 -1.515 0.638 -0.433 1.00 23.05 H new ATOM 0 HE1 PHE A 90 -5.571 -2.092 -1.058 1.00 3.30 H new ATOM 0 HE2 PHE A 90 -2.264 -0.885 1.342 1.00 24.31 H new ATOM 0 HZ PHE A 90 -4.288 -2.243 1.034 1.00 65.43 H new ATOM 1534 N GLN A 91 0.578 0.991 -3.333 1.00 73.14 N ATOM 1535 CA GLN A 91 1.893 0.759 -2.731 1.00 75.23 C ATOM 1536 C GLN A 91 1.959 1.429 -1.358 1.00 45.35 C ATOM 1537 O GLN A 91 1.342 2.480 -1.120 1.00 14.50 O ATOM 1538 CB GLN A 91 3.038 1.275 -3.651 1.00 1.13 C ATOM 1539 CG GLN A 91 3.015 2.784 -3.966 1.00 23.41 C ATOM 1540 CD GLN A 91 4.217 3.260 -4.790 1.00 30.12 C ATOM 1541 OE1 GLN A 91 4.806 2.499 -5.554 1.00 54.15 O ATOM 1542 NE2 GLN A 91 4.585 4.527 -4.644 1.00 61.04 N ATOM 0 H GLN A 91 0.460 1.930 -3.714 1.00 73.14 H new ATOM 0 HA GLN A 91 2.031 -0.315 -2.610 1.00 75.23 H new ATOM 0 HB2 GLN A 91 3.992 1.035 -3.182 1.00 1.13 H new ATOM 0 HB3 GLN A 91 2.999 0.726 -4.592 1.00 1.13 H new ATOM 0 HG2 GLN A 91 2.099 3.019 -4.507 1.00 23.41 H new ATOM 0 HG3 GLN A 91 2.984 3.341 -3.030 1.00 23.41 H new ATOM 0 HE21 GLN A 91 4.077 5.135 -4.002 1.00 61.04 H new ATOM 0 HE22 GLN A 91 5.376 4.893 -5.174 1.00 61.04 H new ATOM 1551 N VAL A 92 2.721 0.791 -0.470 1.00 20.44 N ATOM 1552 CA VAL A 92 3.038 1.294 0.855 1.00 31.44 C ATOM 1553 C VAL A 92 4.561 1.420 0.914 1.00 51.55 C ATOM 1554 O VAL A 92 5.265 0.417 1.019 1.00 53.03 O ATOM 1555 CB VAL A 92 2.512 0.332 1.994 1.00 60.34 C ATOM 1556 CG1 VAL A 92 2.945 0.829 3.393 1.00 42.03 C ATOM 1557 CG2 VAL A 92 0.974 0.161 1.900 1.00 74.42 C ATOM 0 H VAL A 92 3.144 -0.116 -0.664 1.00 20.44 H new ATOM 0 HA VAL A 92 2.549 2.253 1.024 1.00 31.44 H new ATOM 0 HB VAL A 92 2.966 -0.648 1.846 1.00 60.34 H new ATOM 0 HG11 VAL A 92 2.568 0.146 4.154 1.00 42.03 H new ATOM 0 HG12 VAL A 92 4.033 0.866 3.445 1.00 42.03 H new ATOM 0 HG13 VAL A 92 2.540 1.826 3.567 1.00 42.03 H new ATOM 0 HG21 VAL A 92 0.633 -0.505 2.693 1.00 74.42 H new ATOM 0 HG22 VAL A 92 0.492 1.133 2.010 1.00 74.42 H new ATOM 0 HG23 VAL A 92 0.714 -0.265 0.931 1.00 74.42 H new ATOM 1567 N VAL A 93 5.062 2.649 0.766 1.00 23.30 N ATOM 1568 CA VAL A 93 6.484 2.957 0.902 1.00 44.41 C ATOM 1569 C VAL A 93 6.734 3.228 2.386 1.00 42.11 C ATOM 1570 O VAL A 93 6.086 4.098 2.960 1.00 54.43 O ATOM 1571 CB VAL A 93 6.904 4.222 0.048 1.00 51.21 C ATOM 1572 CG1 VAL A 93 8.427 4.481 0.136 1.00 5.14 C ATOM 1573 CG2 VAL A 93 6.425 4.110 -1.426 1.00 71.25 C ATOM 0 H VAL A 93 4.487 3.462 0.547 1.00 23.30 H new ATOM 0 HA VAL A 93 7.078 2.121 0.533 1.00 44.41 H new ATOM 0 HB VAL A 93 6.400 5.086 0.480 1.00 51.21 H new ATOM 0 HG11 VAL A 93 8.682 5.356 -0.461 1.00 5.14 H new ATOM 0 HG12 VAL A 93 8.707 4.656 1.175 1.00 5.14 H new ATOM 0 HG13 VAL A 93 8.966 3.613 -0.243 1.00 5.14 H new ATOM 0 HG21 VAL A 93 6.734 4.998 -1.977 1.00 71.25 H new ATOM 0 HG22 VAL A 93 6.866 3.226 -1.886 1.00 71.25 H new ATOM 0 HG23 VAL A 93 5.338 4.027 -1.450 1.00 71.25 H new ATOM 1583 N HIS A 94 7.634 2.458 2.995 1.00 34.00 N ATOM 1584 CA HIS A 94 7.947 2.560 4.433 1.00 65.31 C ATOM 1585 C HIS A 94 9.437 2.326 4.683 1.00 60.41 C ATOM 1586 O HIS A 94 10.156 1.907 3.771 1.00 11.14 O ATOM 1587 CB HIS A 94 7.093 1.561 5.255 1.00 12.45 C ATOM 1588 CG HIS A 94 7.160 0.114 4.808 1.00 54.55 C ATOM 1589 ND1 HIS A 94 7.812 -0.879 5.516 1.00 31.43 N ATOM 1590 CD2 HIS A 94 6.623 -0.508 3.723 1.00 12.41 C ATOM 1591 CE1 HIS A 94 7.665 -2.031 4.886 1.00 63.33 C ATOM 1592 NE2 HIS A 94 6.956 -1.835 3.797 1.00 72.42 N ATOM 0 H HIS A 94 8.173 1.741 2.510 1.00 34.00 H new ATOM 0 HA HIS A 94 7.701 3.570 4.760 1.00 65.31 H new ATOM 0 HB2 HIS A 94 7.408 1.615 6.297 1.00 12.45 H new ATOM 0 HB3 HIS A 94 6.053 1.885 5.219 1.00 12.45 H new ATOM 0 HD1 HIS A 94 8.325 -0.743 6.387 1.00 31.43 H new ATOM 0 HD2 HIS A 94 6.040 -0.040 2.944 1.00 12.41 H new ATOM 0 HE1 HIS A 94 8.063 -2.980 5.213 1.00 63.33 H new ATOM 1601 N ASP A 95 9.882 2.598 5.927 1.00 71.42 N ATOM 1602 CA ASP A 95 11.288 2.415 6.341 1.00 72.35 C ATOM 1603 C ASP A 95 11.629 0.927 6.579 1.00 33.23 C ATOM 1604 O ASP A 95 11.770 0.469 7.717 1.00 74.04 O ATOM 1605 CB ASP A 95 11.619 3.284 7.581 1.00 54.40 C ATOM 1606 CG ASP A 95 11.485 4.788 7.307 1.00 3.43 C ATOM 1607 OD1 ASP A 95 12.317 5.334 6.544 1.00 0.34 O ATOM 1608 OD2 ASP A 95 10.561 5.427 7.856 1.00 73.20 O ATOM 0 H ASP A 95 9.279 2.950 6.671 1.00 71.42 H new ATOM 0 HA ASP A 95 11.919 2.755 5.520 1.00 72.35 H new ATOM 0 HB2 ASP A 95 10.955 3.008 8.400 1.00 54.40 H new ATOM 0 HB3 ASP A 95 12.636 3.068 7.909 1.00 54.40 H new ATOM 1613 N ALA A 96 11.677 0.197 5.461 1.00 4.14 N ATOM 1614 CA ALA A 96 12.108 -1.208 5.361 1.00 62.33 C ATOM 1615 C ALA A 96 12.228 -1.556 3.871 1.00 71.15 C ATOM 1616 O ALA A 96 13.275 -2.034 3.405 1.00 3.45 O ATOM 1617 CB ALA A 96 11.123 -2.155 6.085 1.00 73.31 C ATOM 0 H ALA A 96 11.405 0.584 4.557 1.00 4.14 H new ATOM 0 HA ALA A 96 13.072 -1.338 5.853 1.00 62.33 H new ATOM 0 HB1 ALA A 96 11.472 -3.183 5.991 1.00 73.31 H new ATOM 0 HB2 ALA A 96 11.068 -1.885 7.140 1.00 73.31 H new ATOM 0 HB3 ALA A 96 10.134 -2.065 5.635 1.00 73.31 H new ATOM 1623 N ASN A 97 11.151 -1.235 3.127 1.00 72.55 N ATOM 1624 CA ASN A 97 11.041 -1.514 1.678 1.00 60.12 C ATOM 1625 C ASN A 97 9.831 -0.792 1.060 1.00 55.32 C ATOM 1626 O ASN A 97 9.020 -0.179 1.776 1.00 20.20 O ATOM 1627 CB ASN A 97 10.976 -3.049 1.396 1.00 72.05 C ATOM 1628 CG ASN A 97 9.807 -3.804 2.070 1.00 54.41 C ATOM 1629 OD1 ASN A 97 8.679 -3.318 2.173 1.00 53.32 O ATOM 1630 ND2 ASN A 97 10.077 -5.006 2.545 1.00 32.25 N ATOM 0 H ASN A 97 10.328 -0.773 3.514 1.00 72.55 H new ATOM 0 HA ASN A 97 11.942 -1.126 1.203 1.00 60.12 H new ATOM 0 HB2 ASN A 97 10.909 -3.200 0.319 1.00 72.05 H new ATOM 0 HB3 ASN A 97 11.913 -3.500 1.723 1.00 72.05 H new ATOM 0 HD21 ASN A 97 9.346 -5.548 3.006 1.00 32.25 H new ATOM 0 HD22 ASN A 97 11.016 -5.392 2.451 1.00 32.25 H new ATOM 1637 N THR A 98 9.738 -0.841 -0.278 1.00 11.13 N ATOM 1638 CA THR A 98 8.565 -0.354 -1.018 1.00 63.21 C ATOM 1639 C THR A 98 7.634 -1.552 -1.302 1.00 34.23 C ATOM 1640 O THR A 98 7.864 -2.317 -2.233 1.00 51.02 O ATOM 1641 CB THR A 98 8.998 0.352 -2.351 1.00 63.14 C ATOM 1642 OG1 THR A 98 9.940 1.395 -2.055 1.00 32.13 O ATOM 1643 CG2 THR A 98 7.803 0.946 -3.119 1.00 13.41 C ATOM 0 H THR A 98 10.473 -1.219 -0.876 1.00 11.13 H new ATOM 0 HA THR A 98 8.034 0.387 -0.421 1.00 63.21 H new ATOM 0 HB THR A 98 9.452 -0.407 -2.989 1.00 63.14 H new ATOM 0 HG1 THR A 98 10.752 1.264 -2.588 1.00 32.13 H new ATOM 0 HG21 THR A 98 8.158 1.422 -4.033 1.00 13.41 H new ATOM 0 HG22 THR A 98 7.102 0.151 -3.373 1.00 13.41 H new ATOM 0 HG23 THR A 98 7.301 1.686 -2.495 1.00 13.41 H new ATOM 1651 N LEU A 99 6.617 -1.724 -0.448 1.00 21.55 N ATOM 1652 CA LEU A 99 5.685 -2.863 -0.535 1.00 62.15 C ATOM 1653 C LEU A 99 4.537 -2.563 -1.521 1.00 73.31 C ATOM 1654 O LEU A 99 4.195 -1.407 -1.743 1.00 11.34 O ATOM 1655 CB LEU A 99 5.117 -3.233 0.862 1.00 41.41 C ATOM 1656 CG LEU A 99 4.348 -4.597 0.920 1.00 22.23 C ATOM 1657 CD1 LEU A 99 5.297 -5.784 0.629 1.00 54.40 C ATOM 1658 CD2 LEU A 99 3.601 -4.766 2.253 1.00 43.22 C ATOM 0 H LEU A 99 6.415 -1.083 0.320 1.00 21.55 H new ATOM 0 HA LEU A 99 6.246 -3.719 -0.910 1.00 62.15 H new ATOM 0 HB2 LEU A 99 5.940 -3.266 1.576 1.00 41.41 H new ATOM 0 HB3 LEU A 99 4.445 -2.439 1.187 1.00 41.41 H new ATOM 0 HG LEU A 99 3.592 -4.589 0.135 1.00 22.23 H new ATOM 0 HD11 LEU A 99 4.737 -6.718 0.676 1.00 54.40 H new ATOM 0 HD12 LEU A 99 5.729 -5.669 -0.365 1.00 54.40 H new ATOM 0 HD13 LEU A 99 6.095 -5.802 1.371 1.00 54.40 H new ATOM 0 HD21 LEU A 99 3.079 -5.723 2.259 1.00 43.22 H new ATOM 0 HD22 LEU A 99 4.315 -4.737 3.076 1.00 43.22 H new ATOM 0 HD23 LEU A 99 2.879 -3.958 2.370 1.00 43.22 H new ATOM 1670 N TYR A 100 3.975 -3.627 -2.136 1.00 53.10 N ATOM 1671 CA TYR A 100 2.870 -3.531 -3.116 1.00 74.01 C ATOM 1672 C TYR A 100 1.722 -4.459 -2.700 1.00 51.43 C ATOM 1673 O TYR A 100 1.836 -5.691 -2.788 1.00 44.33 O ATOM 1674 CB TYR A 100 3.388 -3.877 -4.534 1.00 24.23 C ATOM 1675 CG TYR A 100 4.424 -2.865 -5.028 1.00 52.14 C ATOM 1676 CD1 TYR A 100 4.014 -1.662 -5.599 1.00 71.15 C ATOM 1677 CD2 TYR A 100 5.796 -3.083 -4.883 1.00 74.31 C ATOM 1678 CE1 TYR A 100 4.929 -0.716 -6.007 1.00 15.51 C ATOM 1679 CE2 TYR A 100 6.714 -2.137 -5.298 1.00 63.13 C ATOM 1680 CZ TYR A 100 6.271 -0.957 -5.855 1.00 43.23 C ATOM 1681 OH TYR A 100 7.183 -0.003 -6.257 1.00 55.24 O ATOM 0 H TYR A 100 4.278 -4.586 -1.965 1.00 53.10 H new ATOM 0 HA TYR A 100 2.490 -2.510 -3.136 1.00 74.01 H new ATOM 0 HB2 TYR A 100 3.830 -4.873 -4.526 1.00 24.23 H new ATOM 0 HB3 TYR A 100 2.549 -3.906 -5.229 1.00 24.23 H new ATOM 0 HD1 TYR A 100 2.959 -1.467 -5.724 1.00 71.15 H new ATOM 0 HD2 TYR A 100 6.145 -4.004 -4.440 1.00 74.31 H new ATOM 0 HE1 TYR A 100 4.591 0.212 -6.445 1.00 15.51 H new ATOM 0 HE2 TYR A 100 7.772 -2.321 -5.186 1.00 63.13 H new ATOM 0 HH TYR A 100 6.867 0.426 -7.079 1.00 55.24 H new ATOM 1691 N ILE A 101 0.621 -3.841 -2.240 1.00 23.14 N ATOM 1692 CA ILE A 101 -0.588 -4.542 -1.785 1.00 71.22 C ATOM 1693 C ILE A 101 -1.717 -4.326 -2.821 1.00 55.51 C ATOM 1694 O ILE A 101 -2.187 -3.203 -3.020 1.00 72.52 O ATOM 1695 CB ILE A 101 -1.054 -4.035 -0.369 1.00 23.31 C ATOM 1696 CG1 ILE A 101 0.139 -4.025 0.641 1.00 41.24 C ATOM 1697 CG2 ILE A 101 -2.229 -4.891 0.170 1.00 43.03 C ATOM 1698 CD1 ILE A 101 -0.169 -3.398 1.991 1.00 53.41 C ATOM 0 H ILE A 101 0.547 -2.826 -2.174 1.00 23.14 H new ATOM 0 HA ILE A 101 -0.358 -5.604 -1.695 1.00 71.22 H new ATOM 0 HB ILE A 101 -1.410 -3.011 -0.481 1.00 23.31 H new ATOM 0 HG12 ILE A 101 0.469 -5.051 0.801 1.00 41.24 H new ATOM 0 HG13 ILE A 101 0.973 -3.488 0.190 1.00 41.24 H new ATOM 0 HG21 ILE A 101 -2.531 -4.519 1.149 1.00 43.03 H new ATOM 0 HG22 ILE A 101 -3.072 -4.827 -0.518 1.00 43.03 H new ATOM 0 HG23 ILE A 101 -1.912 -5.930 0.259 1.00 43.03 H new ATOM 0 HD11 ILE A 101 0.719 -3.438 2.622 1.00 53.41 H new ATOM 0 HD12 ILE A 101 -0.468 -2.359 1.850 1.00 53.41 H new ATOM 0 HD13 ILE A 101 -0.980 -3.947 2.471 1.00 53.41 H new ATOM 1710 N PHE A 102 -2.119 -5.415 -3.469 1.00 23.45 N ATOM 1711 CA PHE A 102 -3.140 -5.435 -4.520 1.00 75.41 C ATOM 1712 C PHE A 102 -4.551 -5.449 -3.901 1.00 72.14 C ATOM 1713 O PHE A 102 -4.883 -6.342 -3.103 1.00 23.21 O ATOM 1714 CB PHE A 102 -2.905 -6.677 -5.434 1.00 34.42 C ATOM 1715 CG PHE A 102 -1.586 -6.634 -6.224 1.00 64.05 C ATOM 1716 CD1 PHE A 102 -0.350 -6.745 -5.576 1.00 20.24 C ATOM 1717 CD2 PHE A 102 -1.581 -6.432 -7.609 1.00 33.15 C ATOM 1718 CE1 PHE A 102 0.835 -6.660 -6.283 1.00 64.43 C ATOM 1719 CE2 PHE A 102 -0.391 -6.340 -8.311 1.00 4.10 C ATOM 1720 CZ PHE A 102 0.815 -6.455 -7.646 1.00 60.34 C ATOM 0 H PHE A 102 -1.733 -6.339 -3.274 1.00 23.45 H new ATOM 0 HA PHE A 102 -3.062 -4.533 -5.127 1.00 75.41 H new ATOM 0 HB2 PHE A 102 -2.918 -7.576 -4.818 1.00 34.42 H new ATOM 0 HB3 PHE A 102 -3.734 -6.760 -6.136 1.00 34.42 H new ATOM 0 HD1 PHE A 102 -0.322 -6.899 -4.507 1.00 20.24 H new ATOM 0 HD2 PHE A 102 -2.519 -6.347 -8.138 1.00 33.15 H new ATOM 0 HE1 PHE A 102 1.779 -6.754 -5.766 1.00 64.43 H new ATOM 0 HE2 PHE A 102 -0.405 -6.178 -9.379 1.00 4.10 H new ATOM 0 HZ PHE A 102 1.743 -6.384 -8.195 1.00 60.34 H new ATOM 1730 N ALA A 103 -5.363 -4.452 -4.282 1.00 30.01 N ATOM 1731 CA ALA A 103 -6.754 -4.314 -3.832 1.00 13.14 C ATOM 1732 C ALA A 103 -7.691 -5.035 -4.832 1.00 22.33 C ATOM 1733 O ALA A 103 -7.546 -4.837 -6.034 1.00 72.42 O ATOM 1734 CB ALA A 103 -7.113 -2.829 -3.701 1.00 51.34 C ATOM 0 H ALA A 103 -5.068 -3.711 -4.918 1.00 30.01 H new ATOM 0 HA ALA A 103 -6.876 -4.776 -2.852 1.00 13.14 H new ATOM 0 HB1 ALA A 103 -8.146 -2.733 -3.367 1.00 51.34 H new ATOM 0 HB2 ALA A 103 -6.451 -2.357 -2.975 1.00 51.34 H new ATOM 0 HB3 ALA A 103 -6.997 -2.340 -4.668 1.00 51.34 H new ATOM 1740 N PRO A 104 -8.667 -5.884 -4.352 1.00 30.34 N ATOM 1741 CA PRO A 104 -9.539 -6.720 -5.237 1.00 13.52 C ATOM 1742 C PRO A 104 -10.318 -5.902 -6.286 1.00 71.10 C ATOM 1743 O PRO A 104 -10.529 -6.350 -7.419 1.00 61.35 O ATOM 1744 CB PRO A 104 -10.505 -7.408 -4.239 1.00 0.23 C ATOM 1745 CG PRO A 104 -9.778 -7.383 -2.925 1.00 65.44 C ATOM 1746 CD PRO A 104 -9.001 -6.092 -2.918 1.00 51.03 C ATOM 0 HA PRO A 104 -8.950 -7.416 -5.835 1.00 13.52 H new ATOM 0 HB2 PRO A 104 -11.454 -6.876 -4.176 1.00 0.23 H new ATOM 0 HB3 PRO A 104 -10.731 -8.429 -4.547 1.00 0.23 H new ATOM 0 HG2 PRO A 104 -10.477 -7.425 -2.089 1.00 65.44 H new ATOM 0 HG3 PRO A 104 -9.113 -8.241 -2.828 1.00 65.44 H new ATOM 0 HD2 PRO A 104 -9.594 -5.268 -2.520 1.00 51.03 H new ATOM 0 HD3 PRO A 104 -8.104 -6.166 -2.303 1.00 51.03 H new ATOM 1754 N SER A 105 -10.700 -4.683 -5.896 1.00 44.12 N ATOM 1755 CA SER A 105 -11.561 -3.807 -6.694 1.00 2.31 C ATOM 1756 C SER A 105 -11.048 -2.344 -6.638 1.00 12.43 C ATOM 1757 O SER A 105 -10.315 -1.987 -5.705 1.00 2.33 O ATOM 1758 CB SER A 105 -13.010 -3.912 -6.149 1.00 50.14 C ATOM 1759 OG SER A 105 -13.068 -3.573 -4.764 1.00 20.52 O ATOM 0 H SER A 105 -10.417 -4.272 -5.007 1.00 44.12 H new ATOM 0 HA SER A 105 -11.544 -4.118 -7.739 1.00 2.31 H new ATOM 0 HB2 SER A 105 -13.663 -3.248 -6.716 1.00 50.14 H new ATOM 0 HB3 SER A 105 -13.383 -4.926 -6.293 1.00 50.14 H new ATOM 0 HG SER A 105 -13.953 -3.798 -4.409 1.00 20.52 H new ATOM 1765 N PRO A 106 -11.448 -1.460 -7.624 1.00 73.31 N ATOM 1766 CA PRO A 106 -11.214 0.011 -7.531 1.00 4.51 C ATOM 1767 C PRO A 106 -12.044 0.670 -6.393 1.00 61.42 C ATOM 1768 O PRO A 106 -11.834 1.840 -6.049 1.00 42.04 O ATOM 1769 CB PRO A 106 -11.630 0.534 -8.927 1.00 11.42 C ATOM 1770 CG PRO A 106 -12.581 -0.492 -9.459 1.00 44.12 C ATOM 1771 CD PRO A 106 -12.104 -1.821 -8.911 1.00 51.13 C ATOM 0 HA PRO A 106 -10.181 0.252 -7.281 1.00 4.51 H new ATOM 0 HB2 PRO A 106 -12.105 1.513 -8.856 1.00 11.42 H new ATOM 0 HB3 PRO A 106 -10.765 0.646 -9.580 1.00 11.42 H new ATOM 0 HG2 PRO A 106 -13.602 -0.281 -9.140 1.00 44.12 H new ATOM 0 HG3 PRO A 106 -12.582 -0.496 -10.549 1.00 44.12 H new ATOM 0 HD2 PRO A 106 -12.934 -2.511 -8.757 1.00 51.13 H new ATOM 0 HD3 PRO A 106 -11.407 -2.308 -9.593 1.00 51.13 H new ATOM 1779 N GLN A 107 -12.952 -0.125 -5.812 1.00 43.40 N ATOM 1780 CA GLN A 107 -13.745 0.252 -4.638 1.00 1.21 C ATOM 1781 C GLN A 107 -12.834 0.232 -3.393 1.00 40.34 C ATOM 1782 O GLN A 107 -12.645 1.261 -2.725 1.00 21.23 O ATOM 1783 CB GLN A 107 -14.930 -0.740 -4.471 1.00 34.42 C ATOM 1784 CG GLN A 107 -15.810 -0.919 -5.736 1.00 73.32 C ATOM 1785 CD GLN A 107 -16.897 -2.004 -5.589 1.00 53.34 C ATOM 1786 OE1 GLN A 107 -17.419 -2.242 -4.497 1.00 22.01 O ATOM 1787 NE2 GLN A 107 -17.231 -2.680 -6.679 1.00 61.21 N ATOM 0 H GLN A 107 -13.159 -1.064 -6.152 1.00 43.40 H new ATOM 0 HA GLN A 107 -14.153 1.255 -4.763 1.00 1.21 H new ATOM 0 HB2 GLN A 107 -14.533 -1.713 -4.181 1.00 34.42 H new ATOM 0 HB3 GLN A 107 -15.561 -0.396 -3.652 1.00 34.42 H new ATOM 0 HG2 GLN A 107 -16.288 0.032 -5.972 1.00 73.32 H new ATOM 0 HG3 GLN A 107 -15.169 -1.172 -6.581 1.00 73.32 H new ATOM 0 HE21 GLN A 107 -16.784 -2.464 -7.570 1.00 61.21 H new ATOM 0 HE22 GLN A 107 -17.935 -3.417 -6.627 1.00 61.21 H new ATOM 1796 N SER A 108 -12.229 -0.958 -3.150 1.00 34.25 N ATOM 1797 CA SER A 108 -11.280 -1.194 -2.049 1.00 3.23 C ATOM 1798 C SER A 108 -10.056 -0.261 -2.149 1.00 42.05 C ATOM 1799 O SER A 108 -9.555 0.211 -1.133 1.00 25.14 O ATOM 1800 CB SER A 108 -10.828 -2.673 -2.058 1.00 10.32 C ATOM 1801 OG SER A 108 -11.937 -3.554 -1.989 1.00 23.20 O ATOM 0 H SER A 108 -12.393 -1.786 -3.723 1.00 34.25 H new ATOM 0 HA SER A 108 -11.787 -0.975 -1.109 1.00 3.23 H new ATOM 0 HB2 SER A 108 -10.257 -2.875 -2.964 1.00 10.32 H new ATOM 0 HB3 SER A 108 -10.163 -2.857 -1.214 1.00 10.32 H new ATOM 0 HG SER A 108 -12.374 -3.599 -2.865 1.00 23.20 H new ATOM 1807 N ARG A 109 -9.600 -0.026 -3.402 1.00 52.12 N ATOM 1808 CA ARG A 109 -8.515 0.933 -3.732 1.00 62.21 C ATOM 1809 C ARG A 109 -8.684 2.282 -2.994 1.00 51.34 C ATOM 1810 O ARG A 109 -7.898 2.606 -2.105 1.00 50.55 O ATOM 1811 CB ARG A 109 -8.492 1.171 -5.276 1.00 45.35 C ATOM 1812 CG ARG A 109 -7.612 2.355 -5.749 1.00 11.32 C ATOM 1813 CD ARG A 109 -8.025 2.915 -7.121 1.00 74.14 C ATOM 1814 NE ARG A 109 -9.459 3.239 -7.160 1.00 53.34 N ATOM 1815 CZ ARG A 109 -9.991 4.455 -7.353 1.00 11.31 C ATOM 1816 NH1 ARG A 109 -9.229 5.533 -7.543 1.00 30.34 N ATOM 1817 NH2 ARG A 109 -11.305 4.575 -7.359 1.00 14.14 N ATOM 0 H ARG A 109 -9.978 -0.501 -4.222 1.00 52.12 H new ATOM 0 HA ARG A 109 -7.571 0.500 -3.401 1.00 62.21 H new ATOM 0 HB2 ARG A 109 -8.140 0.261 -5.762 1.00 45.35 H new ATOM 0 HB3 ARG A 109 -9.514 1.340 -5.616 1.00 45.35 H new ATOM 0 HG2 ARG A 109 -7.663 3.154 -5.009 1.00 11.32 H new ATOM 0 HG3 ARG A 109 -6.573 2.029 -5.796 1.00 11.32 H new ATOM 0 HD2 ARG A 109 -7.442 3.810 -7.341 1.00 74.14 H new ATOM 0 HD3 ARG A 109 -7.794 2.186 -7.898 1.00 74.14 H new ATOM 0 HE ARG A 109 -10.111 2.466 -7.028 1.00 53.34 H new ATOM 0 HH11 ARG A 109 -8.213 5.445 -7.544 1.00 30.34 H new ATOM 0 HH12 ARG A 109 -9.662 6.445 -7.687 1.00 30.34 H new ATOM 0 HH21 ARG A 109 -11.893 3.753 -7.219 1.00 14.14 H new ATOM 0 HH22 ARG A 109 -11.733 5.489 -7.504 1.00 14.14 H new ATOM 1831 N ASP A 110 -9.764 3.007 -3.334 1.00 53.21 N ATOM 1832 CA ASP A 110 -9.962 4.406 -2.916 1.00 22.31 C ATOM 1833 C ASP A 110 -10.139 4.523 -1.393 1.00 61.40 C ATOM 1834 O ASP A 110 -9.644 5.474 -0.778 1.00 22.11 O ATOM 1835 CB ASP A 110 -11.175 5.018 -3.661 1.00 5.23 C ATOM 1836 CG ASP A 110 -11.402 6.510 -3.326 1.00 1.44 C ATOM 1837 OD1 ASP A 110 -10.599 7.359 -3.780 1.00 31.33 O ATOM 1838 OD2 ASP A 110 -12.366 6.848 -2.599 1.00 34.53 O ATOM 0 H ASP A 110 -10.524 2.640 -3.906 1.00 53.21 H new ATOM 0 HA ASP A 110 -9.066 4.967 -3.181 1.00 22.31 H new ATOM 0 HB2 ASP A 110 -11.025 4.912 -4.735 1.00 5.23 H new ATOM 0 HB3 ASP A 110 -12.072 4.454 -3.407 1.00 5.23 H new ATOM 1843 N LEU A 111 -10.835 3.534 -0.796 1.00 63.03 N ATOM 1844 CA LEU A 111 -11.083 3.495 0.654 1.00 15.15 C ATOM 1845 C LEU A 111 -9.779 3.228 1.438 1.00 63.52 C ATOM 1846 O LEU A 111 -9.474 3.960 2.378 1.00 34.54 O ATOM 1847 CB LEU A 111 -12.171 2.441 1.005 1.00 45.32 C ATOM 1848 CG LEU A 111 -12.566 2.332 2.519 1.00 65.53 C ATOM 1849 CD1 LEU A 111 -12.990 3.695 3.121 1.00 25.11 C ATOM 1850 CD2 LEU A 111 -13.667 1.263 2.731 1.00 24.12 C ATOM 0 H LEU A 111 -11.237 2.746 -1.304 1.00 63.03 H new ATOM 0 HA LEU A 111 -11.455 4.475 0.954 1.00 15.15 H new ATOM 0 HB2 LEU A 111 -13.069 2.672 0.432 1.00 45.32 H new ATOM 0 HB3 LEU A 111 -11.822 1.464 0.671 1.00 45.32 H new ATOM 0 HG LEU A 111 -11.672 2.016 3.056 1.00 65.53 H new ATOM 0 HD11 LEU A 111 -13.253 3.563 4.171 1.00 25.11 H new ATOM 0 HD12 LEU A 111 -12.164 4.401 3.040 1.00 25.11 H new ATOM 0 HD13 LEU A 111 -13.852 4.081 2.577 1.00 25.11 H new ATOM 0 HD21 LEU A 111 -13.922 1.208 3.789 1.00 24.12 H new ATOM 0 HD22 LEU A 111 -14.553 1.535 2.158 1.00 24.12 H new ATOM 0 HD23 LEU A 111 -13.301 0.293 2.395 1.00 24.12 H new ATOM 1862 N TRP A 112 -9.029 2.182 1.050 1.00 65.14 N ATOM 1863 CA TRP A 112 -7.744 1.829 1.701 1.00 60.24 C ATOM 1864 C TRP A 112 -6.676 2.935 1.588 1.00 71.13 C ATOM 1865 O TRP A 112 -6.029 3.260 2.590 1.00 0.42 O ATOM 1866 CB TRP A 112 -7.190 0.486 1.148 1.00 65.40 C ATOM 1867 CG TRP A 112 -7.763 -0.714 1.847 1.00 71.41 C ATOM 1868 CD1 TRP A 112 -8.834 -1.469 1.471 1.00 33.01 C ATOM 1869 CD2 TRP A 112 -7.291 -1.267 3.081 1.00 52.21 C ATOM 1870 NE1 TRP A 112 -9.063 -2.446 2.399 1.00 64.21 N ATOM 1871 CE2 TRP A 112 -8.124 -2.349 3.394 1.00 53.31 C ATOM 1872 CE3 TRP A 112 -6.239 -0.947 3.949 1.00 64.01 C ATOM 1873 CZ2 TRP A 112 -7.942 -3.118 4.535 1.00 73.30 C ATOM 1874 CZ3 TRP A 112 -6.058 -1.713 5.083 1.00 54.13 C ATOM 1875 CH2 TRP A 112 -6.906 -2.788 5.368 1.00 42.24 C ATOM 0 H TRP A 112 -9.288 1.560 0.285 1.00 65.14 H new ATOM 0 HA TRP A 112 -7.967 1.717 2.762 1.00 60.24 H new ATOM 0 HB2 TRP A 112 -7.410 0.419 0.083 1.00 65.40 H new ATOM 0 HB3 TRP A 112 -6.105 0.476 1.251 1.00 65.40 H new ATOM 0 HD1 TRP A 112 -9.415 -1.318 0.573 1.00 33.01 H new ATOM 0 HE1 TRP A 112 -9.812 -3.137 2.358 1.00 64.21 H new ATOM 0 HE3 TRP A 112 -5.582 -0.117 3.735 1.00 64.01 H new ATOM 0 HZ2 TRP A 112 -8.595 -3.949 4.758 1.00 73.30 H new ATOM 0 HZ3 TRP A 112 -5.250 -1.479 5.760 1.00 54.13 H new ATOM 0 HH2 TRP A 112 -6.741 -3.370 6.263 1.00 42.24 H new ATOM 1886 N VAL A 113 -6.496 3.505 0.382 1.00 62.45 N ATOM 1887 CA VAL A 113 -5.515 4.589 0.149 1.00 40.15 C ATOM 1888 C VAL A 113 -5.864 5.818 1.003 1.00 13.04 C ATOM 1889 O VAL A 113 -4.976 6.458 1.559 1.00 13.32 O ATOM 1890 CB VAL A 113 -5.438 4.967 -1.379 1.00 51.40 C ATOM 1891 CG1 VAL A 113 -4.505 6.169 -1.651 1.00 15.33 C ATOM 1892 CG2 VAL A 113 -4.995 3.749 -2.201 1.00 32.42 C ATOM 0 H VAL A 113 -7.018 3.234 -0.451 1.00 62.45 H new ATOM 0 HA VAL A 113 -4.531 4.229 0.449 1.00 40.15 H new ATOM 0 HB VAL A 113 -6.439 5.271 -1.685 1.00 51.40 H new ATOM 0 HG11 VAL A 113 -4.491 6.384 -2.719 1.00 15.33 H new ATOM 0 HG12 VAL A 113 -4.869 7.042 -1.110 1.00 15.33 H new ATOM 0 HG13 VAL A 113 -3.496 5.929 -1.316 1.00 15.33 H new ATOM 0 HG21 VAL A 113 -4.945 4.020 -3.255 1.00 32.42 H new ATOM 0 HG22 VAL A 113 -4.012 3.420 -1.864 1.00 32.42 H new ATOM 0 HG23 VAL A 113 -5.713 2.940 -2.068 1.00 32.42 H new ATOM 1902 N LYS A 114 -7.177 6.086 1.147 1.00 70.25 N ATOM 1903 CA LYS A 114 -7.691 7.152 2.022 1.00 62.41 C ATOM 1904 C LYS A 114 -7.326 6.873 3.492 1.00 31.10 C ATOM 1905 O LYS A 114 -6.719 7.713 4.150 1.00 11.35 O ATOM 1906 CB LYS A 114 -9.228 7.261 1.872 1.00 5.54 C ATOM 1907 CG LYS A 114 -9.876 8.429 2.646 1.00 14.13 C ATOM 1908 CD LYS A 114 -11.421 8.501 2.483 1.00 55.22 C ATOM 1909 CE LYS A 114 -11.901 8.876 1.062 1.00 20.30 C ATOM 1910 NZ LYS A 114 -11.677 7.794 0.053 1.00 72.32 N ATOM 0 H LYS A 114 -7.908 5.569 0.659 1.00 70.25 H new ATOM 0 HA LYS A 114 -7.232 8.095 1.725 1.00 62.41 H new ATOM 0 HB2 LYS A 114 -9.468 7.368 0.814 1.00 5.54 H new ATOM 0 HB3 LYS A 114 -9.678 6.327 2.209 1.00 5.54 H new ATOM 0 HG2 LYS A 114 -9.635 8.331 3.704 1.00 14.13 H new ATOM 0 HG3 LYS A 114 -9.439 9.367 2.305 1.00 14.13 H new ATOM 0 HD2 LYS A 114 -11.847 7.535 2.753 1.00 55.22 H new ATOM 0 HD3 LYS A 114 -11.814 9.232 3.190 1.00 55.22 H new ATOM 0 HE2 LYS A 114 -12.964 9.115 1.097 1.00 20.30 H new ATOM 0 HE3 LYS A 114 -11.382 9.778 0.738 1.00 20.30 H new ATOM 0 HZ1 LYS A 114 -12.497 7.739 -0.585 1.00 72.32 H new ATOM 0 HZ2 LYS A 114 -10.822 8.006 -0.500 1.00 72.32 H new ATOM 0 HZ3 LYS A 114 -11.556 6.884 0.541 1.00 72.32 H new ATOM 1924 N LYS A 115 -7.674 5.658 3.966 1.00 11.10 N ATOM 1925 CA LYS A 115 -7.474 5.237 5.368 1.00 22.22 C ATOM 1926 C LYS A 115 -5.992 5.176 5.784 1.00 1.12 C ATOM 1927 O LYS A 115 -5.680 5.287 6.973 1.00 61.13 O ATOM 1928 CB LYS A 115 -8.193 3.878 5.632 1.00 55.52 C ATOM 1929 CG LYS A 115 -9.735 3.980 5.634 1.00 52.43 C ATOM 1930 CD LYS A 115 -10.237 5.011 6.669 1.00 75.02 C ATOM 1931 CE LYS A 115 -11.737 5.303 6.576 1.00 61.52 C ATOM 1932 NZ LYS A 115 -12.117 6.431 7.476 1.00 62.42 N ATOM 0 H LYS A 115 -8.103 4.939 3.384 1.00 11.10 H new ATOM 0 HA LYS A 115 -7.924 6.007 5.995 1.00 22.22 H new ATOM 0 HB2 LYS A 115 -7.886 3.161 4.870 1.00 55.52 H new ATOM 0 HB3 LYS A 115 -7.863 3.483 6.593 1.00 55.52 H new ATOM 0 HG2 LYS A 115 -10.082 4.263 4.640 1.00 52.43 H new ATOM 0 HG3 LYS A 115 -10.164 3.003 5.856 1.00 52.43 H new ATOM 0 HD2 LYS A 115 -10.009 4.646 7.671 1.00 75.02 H new ATOM 0 HD3 LYS A 115 -9.687 5.942 6.536 1.00 75.02 H new ATOM 0 HE2 LYS A 115 -12.001 5.549 5.547 1.00 61.52 H new ATOM 0 HE3 LYS A 115 -12.303 4.411 6.846 1.00 61.52 H new ATOM 0 HZ1 LYS A 115 -12.849 7.010 7.017 1.00 62.42 H new ATOM 0 HZ2 LYS A 115 -12.487 6.052 8.371 1.00 62.42 H new ATOM 0 HZ3 LYS A 115 -11.281 7.019 7.668 1.00 62.42 H new ATOM 1946 N LEU A 116 -5.096 4.990 4.813 1.00 34.35 N ATOM 1947 CA LEU A 116 -3.646 5.018 5.047 1.00 42.53 C ATOM 1948 C LEU A 116 -3.139 6.475 5.077 1.00 72.54 C ATOM 1949 O LEU A 116 -2.438 6.868 6.012 1.00 52.14 O ATOM 1950 CB LEU A 116 -2.927 4.172 3.963 1.00 63.30 C ATOM 1951 CG LEU A 116 -3.184 2.631 4.028 1.00 0.15 C ATOM 1952 CD1 LEU A 116 -2.588 1.901 2.806 1.00 4.34 C ATOM 1953 CD2 LEU A 116 -2.651 2.037 5.345 1.00 4.01 C ATOM 0 H LEU A 116 -5.352 4.816 3.841 1.00 34.35 H new ATOM 0 HA LEU A 116 -3.420 4.578 6.018 1.00 42.53 H new ATOM 0 HB2 LEU A 116 -3.236 4.533 2.982 1.00 63.30 H new ATOM 0 HB3 LEU A 116 -1.854 4.347 4.043 1.00 63.30 H new ATOM 0 HG LEU A 116 -4.263 2.478 4.002 1.00 0.15 H new ATOM 0 HD11 LEU A 116 -2.787 0.832 2.888 1.00 4.34 H new ATOM 0 HD12 LEU A 116 -3.044 2.286 1.894 1.00 4.34 H new ATOM 0 HD13 LEU A 116 -1.511 2.068 2.772 1.00 4.34 H new ATOM 0 HD21 LEU A 116 -2.843 0.964 5.364 1.00 4.01 H new ATOM 0 HD22 LEU A 116 -1.578 2.215 5.417 1.00 4.01 H new ATOM 0 HD23 LEU A 116 -3.154 2.511 6.188 1.00 4.01 H new ATOM 1965 N LYS A 117 -3.528 7.266 4.057 1.00 61.25 N ATOM 1966 CA LYS A 117 -3.145 8.690 3.935 1.00 2.12 C ATOM 1967 C LYS A 117 -3.600 9.560 5.133 1.00 22.51 C ATOM 1968 O LYS A 117 -2.813 10.382 5.625 1.00 2.04 O ATOM 1969 CB LYS A 117 -3.638 9.289 2.582 1.00 43.21 C ATOM 1970 CG LYS A 117 -2.844 8.791 1.343 1.00 45.51 C ATOM 1971 CD LYS A 117 -3.350 9.356 -0.016 1.00 61.12 C ATOM 1972 CE LYS A 117 -3.062 10.856 -0.232 1.00 22.21 C ATOM 1973 NZ LYS A 117 -3.891 11.742 0.640 1.00 21.12 N ATOM 0 H LYS A 117 -4.118 6.936 3.293 1.00 61.25 H new ATOM 0 HA LYS A 117 -2.055 8.711 3.950 1.00 2.12 H new ATOM 0 HB2 LYS A 117 -4.691 9.041 2.449 1.00 43.21 H new ATOM 0 HB3 LYS A 117 -3.570 10.376 2.631 1.00 43.21 H new ATOM 0 HG2 LYS A 117 -1.795 9.061 1.467 1.00 45.51 H new ATOM 0 HG3 LYS A 117 -2.891 7.703 1.310 1.00 45.51 H new ATOM 0 HD2 LYS A 117 -2.888 8.790 -0.825 1.00 61.12 H new ATOM 0 HD3 LYS A 117 -4.425 9.192 -0.086 1.00 61.12 H new ATOM 0 HE2 LYS A 117 -2.007 11.049 -0.038 1.00 22.21 H new ATOM 0 HE3 LYS A 117 -3.246 11.109 -1.276 1.00 22.21 H new ATOM 0 HZ1 LYS A 117 -4.405 12.427 0.050 1.00 21.12 H new ATOM 0 HZ2 LYS A 117 -4.572 11.165 1.173 1.00 21.12 H new ATOM 0 HZ3 LYS A 117 -3.274 12.251 1.304 1.00 21.12 H new ATOM 1987 N GLU A 118 -4.841 9.365 5.623 1.00 44.14 N ATOM 1988 CA GLU A 118 -5.389 10.162 6.750 1.00 32.41 C ATOM 1989 C GLU A 118 -4.677 9.839 8.083 1.00 61.03 C ATOM 1990 O GLU A 118 -4.755 10.618 9.042 1.00 24.15 O ATOM 1991 CB GLU A 118 -6.934 9.985 6.863 1.00 44.22 C ATOM 1992 CG GLU A 118 -7.427 8.559 7.186 1.00 64.42 C ATOM 1993 CD GLU A 118 -8.970 8.427 7.185 1.00 61.14 C ATOM 1994 OE1 GLU A 118 -9.563 8.264 6.097 1.00 55.43 O ATOM 1995 OE2 GLU A 118 -9.596 8.470 8.270 1.00 12.31 O ATOM 0 H GLU A 118 -5.486 8.664 5.259 1.00 44.14 H new ATOM 0 HA GLU A 118 -5.192 11.212 6.535 1.00 32.41 H new ATOM 0 HB2 GLU A 118 -7.302 10.660 7.636 1.00 44.22 H new ATOM 0 HB3 GLU A 118 -7.386 10.301 5.923 1.00 44.22 H new ATOM 0 HG2 GLU A 118 -7.010 7.864 6.457 1.00 64.42 H new ATOM 0 HG3 GLU A 118 -7.045 8.263 8.163 1.00 64.42 H new ATOM 2002 N GLU A 119 -3.972 8.701 8.124 1.00 34.31 N ATOM 2003 CA GLU A 119 -3.070 8.353 9.237 1.00 74.30 C ATOM 2004 C GLU A 119 -1.679 8.985 9.022 1.00 63.13 C ATOM 2005 O GLU A 119 -1.175 9.711 9.889 1.00 42.13 O ATOM 2006 CB GLU A 119 -2.951 6.809 9.398 1.00 71.51 C ATOM 2007 CG GLU A 119 -4.270 6.093 9.755 1.00 63.03 C ATOM 2008 CD GLU A 119 -4.958 6.658 11.011 1.00 55.45 C ATOM 2009 OE1 GLU A 119 -4.608 6.244 12.133 1.00 23.11 O ATOM 2010 OE2 GLU A 119 -5.856 7.524 10.880 1.00 72.14 O ATOM 0 H GLU A 119 -4.009 7.995 7.389 1.00 34.31 H new ATOM 0 HA GLU A 119 -3.496 8.755 10.156 1.00 74.30 H new ATOM 0 HB2 GLU A 119 -2.566 6.389 8.469 1.00 71.51 H new ATOM 0 HB3 GLU A 119 -2.216 6.594 10.173 1.00 71.51 H new ATOM 0 HG2 GLU A 119 -4.955 6.169 8.911 1.00 63.03 H new ATOM 0 HG3 GLU A 119 -4.068 5.033 9.907 1.00 63.03 H new ATOM 2017 N ILE A 120 -1.087 8.757 7.829 1.00 64.11 N ATOM 2018 CA ILE A 120 0.320 9.133 7.545 1.00 53.10 C ATOM 2019 C ILE A 120 0.475 10.638 7.229 1.00 10.30 C ATOM 2020 O ILE A 120 1.593 11.119 7.047 1.00 73.23 O ATOM 2021 CB ILE A 120 0.943 8.270 6.374 1.00 1.15 C ATOM 2022 CG1 ILE A 120 0.333 8.647 4.990 1.00 74.45 C ATOM 2023 CG2 ILE A 120 0.767 6.761 6.660 1.00 74.20 C ATOM 2024 CD1 ILE A 120 0.971 7.976 3.778 1.00 22.43 C ATOM 0 H ILE A 120 -1.562 8.313 7.043 1.00 64.11 H new ATOM 0 HA ILE A 120 0.872 8.920 8.460 1.00 53.10 H new ATOM 0 HB ILE A 120 2.009 8.494 6.330 1.00 1.15 H new ATOM 0 HG12 ILE A 120 -0.728 8.399 5.002 1.00 74.45 H new ATOM 0 HG13 ILE A 120 0.406 9.727 4.864 1.00 74.45 H new ATOM 0 HG21 ILE A 120 1.201 6.183 5.844 1.00 74.20 H new ATOM 0 HG22 ILE A 120 1.270 6.506 7.593 1.00 74.20 H new ATOM 0 HG23 ILE A 120 -0.294 6.528 6.745 1.00 74.20 H new ATOM 0 HD11 ILE A 120 0.469 8.311 2.870 1.00 22.43 H new ATOM 0 HD12 ILE A 120 2.027 8.243 3.728 1.00 22.43 H new ATOM 0 HD13 ILE A 120 0.874 6.894 3.868 1.00 22.43 H new ATOM 2036 N LYS A 121 -0.649 11.380 7.190 1.00 73.30 N ATOM 2037 CA LYS A 121 -0.624 12.852 7.048 1.00 1.31 C ATOM 2038 C LYS A 121 -0.047 13.511 8.317 1.00 71.43 C ATOM 2039 O LYS A 121 0.367 14.671 8.291 1.00 45.23 O ATOM 2040 CB LYS A 121 -2.038 13.412 6.741 1.00 4.44 C ATOM 2041 CG LYS A 121 -3.045 13.307 7.908 1.00 31.25 C ATOM 2042 CD LYS A 121 -4.409 13.954 7.578 1.00 64.14 C ATOM 2043 CE LYS A 121 -5.389 13.931 8.762 1.00 32.32 C ATOM 2044 NZ LYS A 121 -6.698 14.556 8.403 1.00 51.41 N ATOM 0 H LYS A 121 -1.587 10.985 7.255 1.00 73.30 H new ATOM 0 HA LYS A 121 0.024 13.094 6.205 1.00 1.31 H new ATOM 0 HB2 LYS A 121 -1.944 14.459 6.454 1.00 4.44 H new ATOM 0 HB3 LYS A 121 -2.445 12.881 5.880 1.00 4.44 H new ATOM 0 HG2 LYS A 121 -3.197 12.257 8.159 1.00 31.25 H new ATOM 0 HG3 LYS A 121 -2.623 13.788 8.791 1.00 31.25 H new ATOM 0 HD2 LYS A 121 -4.249 14.986 7.266 1.00 64.14 H new ATOM 0 HD3 LYS A 121 -4.857 13.432 6.733 1.00 64.14 H new ATOM 0 HE2 LYS A 121 -5.552 12.901 9.081 1.00 32.32 H new ATOM 0 HE3 LYS A 121 -4.951 14.461 9.608 1.00 32.32 H new ATOM 0 HZ1 LYS A 121 -7.335 14.524 9.224 1.00 51.41 H new ATOM 0 HZ2 LYS A 121 -6.545 15.546 8.122 1.00 51.41 H new ATOM 0 HZ3 LYS A 121 -7.126 14.034 7.612 1.00 51.41 H new ATOM 2058 N ASN A 122 -0.059 12.749 9.425 1.00 12.40 N ATOM 2059 CA ASN A 122 0.496 13.173 10.719 1.00 12.30 C ATOM 2060 C ASN A 122 1.989 12.806 10.838 1.00 4.32 C ATOM 2061 O ASN A 122 2.632 13.161 11.833 1.00 44.25 O ATOM 2062 CB ASN A 122 -0.315 12.526 11.868 1.00 71.23 C ATOM 2063 CG ASN A 122 -1.806 12.895 11.868 1.00 54.44 C ATOM 2064 OD1 ASN A 122 -2.664 12.065 12.177 1.00 21.42 O ATOM 2065 ND2 ASN A 122 -2.138 14.154 11.568 1.00 45.53 N ATOM 0 H ASN A 122 -0.459 11.811 9.445 1.00 12.40 H new ATOM 0 HA ASN A 122 0.419 14.258 10.789 1.00 12.30 H new ATOM 0 HB2 ASN A 122 -0.220 11.442 11.800 1.00 71.23 H new ATOM 0 HB3 ASN A 122 0.122 12.825 12.820 1.00 71.23 H new ATOM 0 HD21 ASN A 122 -3.116 14.443 11.592 1.00 45.53 H new ATOM 0 HD22 ASN A 122 -1.414 14.826 11.315 1.00 45.53 H new ATOM 2072 N ASN A 123 2.523 12.089 9.830 1.00 74.15 N ATOM 2073 CA ASN A 123 3.957 11.750 9.751 1.00 63.10 C ATOM 2074 C ASN A 123 4.719 12.901 9.069 1.00 25.44 C ATOM 2075 O ASN A 123 4.261 13.428 8.049 1.00 14.42 O ATOM 2076 CB ASN A 123 4.199 10.431 8.959 1.00 31.02 C ATOM 2077 CG ASN A 123 3.526 9.195 9.566 1.00 51.04 C ATOM 2078 OD1 ASN A 123 3.210 9.149 10.756 1.00 72.51 O ATOM 2079 ND2 ASN A 123 3.341 8.157 8.760 1.00 74.22 N ATOM 0 H ASN A 123 1.974 11.729 9.049 1.00 74.15 H new ATOM 0 HA ASN A 123 4.321 11.602 10.768 1.00 63.10 H new ATOM 0 HB2 ASN A 123 3.837 10.562 7.939 1.00 31.02 H new ATOM 0 HB3 ASN A 123 5.272 10.251 8.896 1.00 31.02 H new ATOM 0 HD21 ASN A 123 2.929 7.297 9.122 1.00 74.22 H new ATOM 0 HD22 ASN A 123 3.611 8.219 7.778 1.00 74.22 H new ATOM 2086 N ASN A 124 5.873 13.285 9.633 1.00 4.14 N ATOM 2087 CA ASN A 124 6.749 14.338 9.055 1.00 71.45 C ATOM 2088 C ASN A 124 7.793 13.727 8.094 1.00 52.11 C ATOM 2089 O ASN A 124 8.616 14.449 7.513 1.00 54.14 O ATOM 2090 CB ASN A 124 7.454 15.125 10.200 1.00 30.11 C ATOM 2091 CG ASN A 124 8.547 14.324 10.936 1.00 14.11 C ATOM 2092 OD1 ASN A 124 9.725 14.362 10.568 1.00 24.50 O ATOM 2093 ND2 ASN A 124 8.167 13.568 11.950 1.00 0.13 N ATOM 0 H ASN A 124 6.232 12.882 10.499 1.00 4.14 H new ATOM 0 HA ASN A 124 6.130 15.026 8.479 1.00 71.45 H new ATOM 0 HB2 ASN A 124 7.899 16.029 9.784 1.00 30.11 H new ATOM 0 HB3 ASN A 124 6.703 15.443 10.923 1.00 30.11 H new ATOM 0 HD21 ASN A 124 8.852 12.999 12.447 1.00 0.13 H new ATOM 0 HD22 ASN A 124 7.188 13.553 12.236 1.00 0.13 H new ATOM 2100 N ASN A 125 7.724 12.403 7.905 1.00 13.40 N ATOM 2101 CA ASN A 125 8.718 11.632 7.130 1.00 41.24 C ATOM 2102 C ASN A 125 8.174 11.287 5.736 1.00 5.11 C ATOM 2103 O ASN A 125 8.668 10.364 5.082 1.00 75.04 O ATOM 2104 CB ASN A 125 9.113 10.352 7.914 1.00 21.33 C ATOM 2105 CG ASN A 125 7.925 9.439 8.238 1.00 75.25 C ATOM 2106 OD1 ASN A 125 7.621 8.492 7.365 1.00 14.43 O flip ATOM 2107 ND2 ASN A 125 7.285 9.601 9.273 1.00 64.22 N flip ATOM 0 H ASN A 125 6.973 11.828 8.287 1.00 13.40 H new ATOM 0 HA ASN A 125 9.611 12.242 6.989 1.00 41.24 H new ATOM 0 HB2 ASN A 125 9.844 9.791 7.332 1.00 21.33 H new ATOM 0 HB3 ASN A 125 9.602 10.642 8.844 1.00 21.33 H new ATOM 0 HD21 ASN A 125 7.547 10.341 9.924 1.00 64.22 H new ATOM 0 HD22 ASN A 125 6.491 8.995 9.482 1.00 64.22 H new ATOM 2114 N ILE A 126 7.203 12.086 5.263 1.00 55.22 N ATOM 2115 CA ILE A 126 6.529 11.845 3.986 1.00 31.41 C ATOM 2116 C ILE A 126 7.332 12.500 2.853 1.00 71.44 C ATOM 2117 O ILE A 126 7.597 13.708 2.890 1.00 32.54 O ATOM 2118 CB ILE A 126 5.051 12.387 4.004 1.00 24.21 C ATOM 2119 CG1 ILE A 126 4.229 11.721 5.151 1.00 53.15 C ATOM 2120 CG2 ILE A 126 4.352 12.181 2.638 1.00 32.15 C ATOM 2121 CD1 ILE A 126 4.047 10.217 5.033 1.00 13.10 C ATOM 0 H ILE A 126 6.868 12.913 5.757 1.00 55.22 H new ATOM 0 HA ILE A 126 6.478 10.769 3.818 1.00 31.41 H new ATOM 0 HB ILE A 126 5.098 13.460 4.192 1.00 24.21 H new ATOM 0 HG12 ILE A 126 4.720 11.937 6.100 1.00 53.15 H new ATOM 0 HG13 ILE A 126 3.245 12.187 5.188 1.00 53.15 H new ATOM 0 HG21 ILE A 126 3.334 12.567 2.688 1.00 32.15 H new ATOM 0 HG22 ILE A 126 4.904 12.713 1.863 1.00 32.15 H new ATOM 0 HG23 ILE A 126 4.325 11.118 2.400 1.00 32.15 H new ATOM 0 HD11 ILE A 126 3.463 9.854 5.878 1.00 13.10 H new ATOM 0 HD12 ILE A 126 3.525 9.985 4.105 1.00 13.10 H new ATOM 0 HD13 ILE A 126 5.023 9.731 5.031 1.00 13.10 H new ATOM 2133 N MET A 127 7.722 11.686 1.860 1.00 51.22 N ATOM 2134 CA MET A 127 8.497 12.142 0.701 1.00 44.11 C ATOM 2135 C MET A 127 7.620 13.031 -0.201 1.00 24.52 C ATOM 2136 O MET A 127 6.404 12.814 -0.318 1.00 51.12 O ATOM 2137 CB MET A 127 9.052 10.931 -0.096 1.00 50.53 C ATOM 2138 CG MET A 127 9.882 9.938 0.738 1.00 75.34 C ATOM 2139 SD MET A 127 10.608 8.596 -0.241 1.00 13.42 S ATOM 2140 CE MET A 127 9.188 7.956 -1.135 1.00 21.34 C ATOM 0 H MET A 127 7.507 10.689 1.840 1.00 51.22 H new ATOM 0 HA MET A 127 9.344 12.730 1.054 1.00 44.11 H new ATOM 0 HB2 MET A 127 8.216 10.396 -0.547 1.00 50.53 H new ATOM 0 HB3 MET A 127 9.670 11.303 -0.913 1.00 50.53 H new ATOM 0 HG2 MET A 127 10.681 10.480 1.244 1.00 75.34 H new ATOM 0 HG3 MET A 127 9.247 9.509 1.513 1.00 75.34 H new ATOM 0 HE1 MET A 127 9.465 7.034 -1.646 1.00 21.34 H new ATOM 0 HE2 MET A 127 8.378 7.754 -0.434 1.00 21.34 H new ATOM 0 HE3 MET A 127 8.858 8.692 -1.868 1.00 21.34 H new ATOM 2150 N ILE A 128 8.257 14.040 -0.807 1.00 54.20 N ATOM 2151 CA ILE A 128 7.597 14.998 -1.718 1.00 14.52 C ATOM 2152 C ILE A 128 7.253 14.308 -3.060 1.00 3.24 C ATOM 2153 O ILE A 128 6.307 14.698 -3.754 1.00 74.13 O ATOM 2154 CB ILE A 128 8.519 16.265 -1.953 1.00 51.33 C ATOM 2155 CG1 ILE A 128 8.888 16.940 -0.587 1.00 54.31 C ATOM 2156 CG2 ILE A 128 7.865 17.288 -2.914 1.00 33.22 C ATOM 2157 CD1 ILE A 128 9.834 18.134 -0.677 1.00 32.32 C ATOM 0 H ILE A 128 9.253 14.221 -0.681 1.00 54.20 H new ATOM 0 HA ILE A 128 6.669 15.337 -1.259 1.00 14.52 H new ATOM 0 HB ILE A 128 9.436 15.917 -2.429 1.00 51.33 H new ATOM 0 HG12 ILE A 128 7.967 17.264 -0.102 1.00 54.31 H new ATOM 0 HG13 ILE A 128 9.341 16.188 0.059 1.00 54.31 H new ATOM 0 HG21 ILE A 128 8.531 18.140 -3.047 1.00 33.22 H new ATOM 0 HG22 ILE A 128 7.683 16.816 -3.879 1.00 33.22 H new ATOM 0 HG23 ILE A 128 6.919 17.629 -2.493 1.00 33.22 H new ATOM 0 HD11 ILE A 128 10.023 18.525 0.323 1.00 32.32 H new ATOM 0 HD12 ILE A 128 10.775 17.819 -1.128 1.00 32.32 H new ATOM 0 HD13 ILE A 128 9.380 18.912 -1.291 1.00 32.32 H new ATOM 2169 N LYS A 129 8.016 13.245 -3.382 1.00 23.21 N ATOM 2170 CA LYS A 129 7.873 12.462 -4.617 1.00 21.20 C ATOM 2171 C LYS A 129 7.548 10.986 -4.254 1.00 42.00 C ATOM 2172 O LYS A 129 7.722 10.565 -3.103 1.00 21.41 O ATOM 2173 CB LYS A 129 9.192 12.527 -5.456 1.00 30.33 C ATOM 2174 CG LYS A 129 9.783 13.932 -5.731 1.00 65.54 C ATOM 2175 CD LYS A 129 8.784 14.879 -6.416 1.00 55.13 C ATOM 2176 CE LYS A 129 9.464 16.032 -7.172 1.00 21.13 C ATOM 2177 NZ LYS A 129 10.212 16.947 -6.267 1.00 44.45 N ATOM 0 H LYS A 129 8.762 12.903 -2.777 1.00 23.21 H new ATOM 0 HA LYS A 129 7.061 12.878 -5.214 1.00 21.20 H new ATOM 0 HB2 LYS A 129 9.950 11.936 -4.942 1.00 30.33 H new ATOM 0 HB3 LYS A 129 9.007 12.044 -6.415 1.00 30.33 H new ATOM 0 HG2 LYS A 129 10.108 14.374 -4.789 1.00 65.54 H new ATOM 0 HG3 LYS A 129 10.669 13.831 -6.358 1.00 65.54 H new ATOM 0 HD2 LYS A 129 8.171 14.308 -7.113 1.00 55.13 H new ATOM 0 HD3 LYS A 129 8.111 15.292 -5.665 1.00 55.13 H new ATOM 0 HE2 LYS A 129 10.149 15.621 -7.914 1.00 21.13 H new ATOM 0 HE3 LYS A 129 8.709 16.601 -7.715 1.00 21.13 H new ATOM 0 HZ1 LYS A 129 10.651 17.706 -6.826 1.00 44.45 H new ATOM 0 HZ2 LYS A 129 9.557 17.362 -5.574 1.00 44.45 H new ATOM 0 HZ3 LYS A 129 10.951 16.413 -5.767 1.00 44.45 H new ATOM 2191 N TYR A 130 7.028 10.226 -5.230 1.00 61.43 N ATOM 2192 CA TYR A 130 6.865 8.758 -5.132 1.00 22.24 C ATOM 2193 C TYR A 130 7.186 8.096 -6.493 1.00 40.25 C ATOM 2194 O TYR A 130 7.445 8.784 -7.492 1.00 15.14 O ATOM 2195 CB TYR A 130 5.419 8.403 -4.680 1.00 62.15 C ATOM 2196 CG TYR A 130 4.343 8.546 -5.772 1.00 14.22 C ATOM 2197 CD1 TYR A 130 4.070 9.780 -6.359 1.00 11.15 C ATOM 2198 CD2 TYR A 130 3.604 7.444 -6.212 1.00 44.24 C ATOM 2199 CE1 TYR A 130 3.112 9.907 -7.337 1.00 42.13 C ATOM 2200 CE2 TYR A 130 2.645 7.575 -7.193 1.00 32.12 C ATOM 2201 CZ TYR A 130 2.407 8.810 -7.751 1.00 71.43 C ATOM 2202 OH TYR A 130 1.438 8.957 -8.711 1.00 35.12 O ATOM 0 H TYR A 130 6.705 10.611 -6.118 1.00 61.43 H new ATOM 0 HA TYR A 130 7.561 8.376 -4.386 1.00 22.24 H new ATOM 0 HB2 TYR A 130 5.410 7.376 -4.315 1.00 62.15 H new ATOM 0 HB3 TYR A 130 5.150 9.043 -3.840 1.00 62.15 H new ATOM 0 HD1 TYR A 130 4.621 10.652 -6.040 1.00 11.15 H new ATOM 0 HD2 TYR A 130 3.788 6.473 -5.776 1.00 44.24 H new ATOM 0 HE1 TYR A 130 2.916 10.873 -7.779 1.00 42.13 H new ATOM 0 HE2 TYR A 130 2.083 6.713 -7.522 1.00 32.12 H new ATOM 0 HH TYR A 130 1.836 8.837 -9.599 1.00 35.12 H new ATOM 2212 N HIS A 131 7.181 6.754 -6.501 1.00 31.42 N ATOM 2213 CA HIS A 131 7.367 5.931 -7.712 1.00 62.14 C ATOM 2214 C HIS A 131 6.004 5.344 -8.163 1.00 11.10 C ATOM 2215 O HIS A 131 5.391 4.604 -7.404 1.00 55.34 O ATOM 2216 CB HIS A 131 8.379 4.805 -7.395 1.00 30.13 C ATOM 2217 CG HIS A 131 9.721 5.320 -6.914 1.00 64.32 C ATOM 2218 ND1 HIS A 131 10.724 5.624 -7.792 1.00 22.22 N ATOM 2219 CD2 HIS A 131 10.157 5.578 -5.649 1.00 3.10 C ATOM 2220 CE1 HIS A 131 11.738 6.055 -7.066 1.00 65.05 C ATOM 2221 NE2 HIS A 131 11.442 6.045 -5.761 1.00 61.14 N ATOM 0 H HIS A 131 7.046 6.200 -5.656 1.00 31.42 H new ATOM 0 HA HIS A 131 7.756 6.540 -8.528 1.00 62.14 H new ATOM 0 HB2 HIS A 131 7.956 4.150 -6.634 1.00 30.13 H new ATOM 0 HB3 HIS A 131 8.530 4.200 -8.289 1.00 30.13 H new ATOM 0 HD2 HIS A 131 9.599 5.441 -4.735 1.00 3.10 H new ATOM 0 HE1 HIS A 131 12.686 6.375 -7.473 1.00 65.05 H new ATOM 0 HE2 HIS A 131 12.054 6.330 -4.996 1.00 61.14 H new ATOM 2229 N PRO A 132 5.476 5.702 -9.387 1.00 22.34 N ATOM 2230 CA PRO A 132 4.159 5.203 -9.883 1.00 10.34 C ATOM 2231 C PRO A 132 4.179 3.756 -10.439 1.00 40.15 C ATOM 2232 O PRO A 132 3.132 3.253 -10.850 1.00 4.14 O ATOM 2233 CB PRO A 132 3.824 6.226 -10.994 1.00 50.14 C ATOM 2234 CG PRO A 132 5.159 6.605 -11.549 1.00 53.22 C ATOM 2235 CD PRO A 132 6.093 6.652 -10.359 1.00 53.53 C ATOM 0 HA PRO A 132 3.426 5.136 -9.079 1.00 10.34 H new ATOM 0 HB2 PRO A 132 3.183 5.789 -11.759 1.00 50.14 H new ATOM 0 HB3 PRO A 132 3.297 7.092 -10.594 1.00 50.14 H new ATOM 0 HG2 PRO A 132 5.499 5.877 -12.286 1.00 53.22 H new ATOM 0 HG3 PRO A 132 5.115 7.571 -12.052 1.00 53.22 H new ATOM 0 HD2 PRO A 132 7.103 6.347 -10.631 1.00 53.53 H new ATOM 0 HD3 PRO A 132 6.164 7.658 -9.945 1.00 53.53 H new ATOM 2243 N LYS A 133 5.360 3.104 -10.475 1.00 42.01 N ATOM 2244 CA LYS A 133 5.511 1.711 -10.989 1.00 21.11 C ATOM 2245 C LYS A 133 5.993 0.741 -9.885 1.00 70.03 C ATOM 2246 O LYS A 133 6.101 1.116 -8.715 1.00 35.05 O ATOM 2247 CB LYS A 133 6.484 1.681 -12.206 1.00 64.31 C ATOM 2248 CG LYS A 133 5.949 2.318 -13.512 1.00 35.41 C ATOM 2249 CD LYS A 133 4.656 1.641 -14.016 1.00 35.15 C ATOM 2250 CE LYS A 133 4.246 2.084 -15.433 1.00 41.41 C ATOM 2251 NZ LYS A 133 5.183 1.591 -16.478 1.00 40.43 N ATOM 0 H LYS A 133 6.235 3.518 -10.153 1.00 42.01 H new ATOM 0 HA LYS A 133 4.528 1.373 -11.316 1.00 21.11 H new ATOM 0 HB2 LYS A 133 7.404 2.193 -11.924 1.00 64.31 H new ATOM 0 HB3 LYS A 133 6.747 0.643 -12.411 1.00 64.31 H new ATOM 0 HG2 LYS A 133 5.758 3.378 -13.343 1.00 35.41 H new ATOM 0 HG3 LYS A 133 6.715 2.251 -14.285 1.00 35.41 H new ATOM 0 HD2 LYS A 133 4.794 0.560 -14.007 1.00 35.15 H new ATOM 0 HD3 LYS A 133 3.844 1.865 -13.324 1.00 35.15 H new ATOM 0 HE2 LYS A 133 3.242 1.718 -15.648 1.00 41.41 H new ATOM 0 HE3 LYS A 133 4.204 3.172 -15.472 1.00 41.41 H new ATOM 0 HZ1 LYS A 133 4.818 1.843 -17.419 1.00 40.43 H new ATOM 0 HZ2 LYS A 133 6.117 2.027 -16.340 1.00 40.43 H new ATOM 0 HZ3 LYS A 133 5.270 0.557 -16.407 1.00 40.43 H new ATOM 2265 N PHE A 134 6.273 -0.521 -10.291 1.00 42.15 N ATOM 2266 CA PHE A 134 6.723 -1.597 -9.393 1.00 60.32 C ATOM 2267 C PHE A 134 8.257 -1.614 -9.287 1.00 63.01 C ATOM 2268 O PHE A 134 8.949 -1.618 -10.306 1.00 44.21 O ATOM 2269 CB PHE A 134 6.215 -2.975 -9.910 1.00 62.12 C ATOM 2270 CG PHE A 134 4.706 -3.162 -9.820 1.00 21.20 C ATOM 2271 CD1 PHE A 134 4.110 -3.445 -8.597 1.00 23.44 C ATOM 2272 CD2 PHE A 134 3.888 -3.056 -10.943 1.00 4.35 C ATOM 2273 CE1 PHE A 134 2.748 -3.613 -8.491 1.00 73.45 C ATOM 2274 CE2 PHE A 134 2.521 -3.227 -10.835 1.00 22.43 C ATOM 2275 CZ PHE A 134 1.951 -3.504 -9.610 1.00 34.24 C ATOM 0 H PHE A 134 6.190 -0.817 -11.263 1.00 42.15 H new ATOM 0 HA PHE A 134 6.308 -1.410 -8.403 1.00 60.32 H new ATOM 0 HB2 PHE A 134 6.523 -3.096 -10.949 1.00 62.12 H new ATOM 0 HB3 PHE A 134 6.702 -3.766 -9.339 1.00 62.12 H new ATOM 0 HD1 PHE A 134 4.726 -3.535 -7.714 1.00 23.44 H new ATOM 0 HD2 PHE A 134 4.326 -2.838 -11.906 1.00 4.35 H new ATOM 0 HE1 PHE A 134 2.304 -3.830 -7.531 1.00 73.45 H new ATOM 0 HE2 PHE A 134 1.897 -3.143 -11.713 1.00 22.43 H new ATOM 0 HZ PHE A 134 0.882 -3.635 -9.528 1.00 34.24 H new ATOM 2285 N TRP A 135 8.765 -1.611 -8.049 1.00 45.22 N ATOM 2286 CA TRP A 135 10.187 -1.801 -7.750 1.00 1.41 C ATOM 2287 C TRP A 135 10.555 -3.293 -7.826 1.00 12.22 C ATOM 2288 O TRP A 135 10.089 -4.105 -7.010 1.00 50.13 O ATOM 2289 CB TRP A 135 10.527 -1.218 -6.346 1.00 63.35 C ATOM 2290 CG TRP A 135 10.945 0.236 -6.345 1.00 70.23 C ATOM 2291 CD1 TRP A 135 10.598 1.216 -7.242 1.00 31.14 C ATOM 2292 CD2 TRP A 135 11.801 0.863 -5.386 1.00 72.52 C ATOM 2293 NE1 TRP A 135 11.213 2.396 -6.902 1.00 71.24 N ATOM 2294 CE2 TRP A 135 11.946 2.206 -5.763 1.00 43.43 C ATOM 2295 CE3 TRP A 135 12.461 0.409 -4.244 1.00 14.30 C ATOM 2296 CZ2 TRP A 135 12.727 3.101 -5.039 1.00 14.35 C ATOM 2297 CZ3 TRP A 135 13.232 1.299 -3.525 1.00 72.11 C ATOM 2298 CH2 TRP A 135 13.359 2.633 -3.925 1.00 5.21 C ATOM 0 H TRP A 135 8.191 -1.475 -7.217 1.00 45.22 H new ATOM 0 HA TRP A 135 10.776 -1.266 -8.494 1.00 1.41 H new ATOM 0 HB2 TRP A 135 9.656 -1.331 -5.701 1.00 63.35 H new ATOM 0 HB3 TRP A 135 11.328 -1.812 -5.906 1.00 63.35 H new ATOM 0 HD1 TRP A 135 9.940 1.079 -8.088 1.00 31.14 H new ATOM 0 HE1 TRP A 135 11.136 3.273 -7.416 1.00 71.24 H new ATOM 0 HE3 TRP A 135 12.370 -0.620 -3.929 1.00 14.30 H new ATOM 0 HZ2 TRP A 135 12.829 4.131 -5.348 1.00 14.35 H new ATOM 0 HZ3 TRP A 135 13.746 0.960 -2.638 1.00 72.11 H new ATOM 0 HH2 TRP A 135 13.969 3.305 -3.340 1.00 5.21 H new ATOM 2309 N THR A 136 11.374 -3.633 -8.823 1.00 50.35 N ATOM 2310 CA THR A 136 11.944 -4.975 -9.005 1.00 72.25 C ATOM 2311 C THR A 136 13.336 -4.807 -9.666 1.00 5.22 C ATOM 2312 O THR A 136 13.501 -3.914 -10.502 1.00 35.03 O ATOM 2313 CB THR A 136 10.991 -5.870 -9.876 1.00 64.52 C ATOM 2314 OG1 THR A 136 9.646 -5.825 -9.346 1.00 2.20 O ATOM 2315 CG2 THR A 136 11.456 -7.330 -9.911 1.00 14.13 C ATOM 0 H THR A 136 11.667 -2.972 -9.542 1.00 50.35 H new ATOM 0 HA THR A 136 12.052 -5.481 -8.046 1.00 72.25 H new ATOM 0 HB THR A 136 11.013 -5.473 -10.891 1.00 64.52 H new ATOM 0 HG1 THR A 136 9.059 -6.384 -9.896 1.00 2.20 H new ATOM 0 HG21 THR A 136 10.770 -7.916 -10.523 1.00 14.13 H new ATOM 0 HG22 THR A 136 12.458 -7.383 -10.337 1.00 14.13 H new ATOM 0 HG23 THR A 136 11.471 -7.732 -8.898 1.00 14.13 H new ATOM 2323 N ASP A 137 14.319 -5.654 -9.286 1.00 30.23 N ATOM 2324 CA ASP A 137 15.752 -5.483 -9.650 1.00 12.42 C ATOM 2325 C ASP A 137 15.986 -5.271 -11.166 1.00 24.23 C ATOM 2326 O ASP A 137 15.846 -6.202 -11.967 1.00 20.11 O ATOM 2327 CB ASP A 137 16.589 -6.691 -9.135 1.00 62.41 C ATOM 2328 CG ASP A 137 16.088 -8.073 -9.630 1.00 0.20 C ATOM 2329 OD1 ASP A 137 15.067 -8.567 -9.096 1.00 51.14 O ATOM 2330 OD2 ASP A 137 16.712 -8.661 -10.541 1.00 1.31 O ATOM 0 H ASP A 137 14.144 -6.481 -8.715 1.00 30.23 H new ATOM 0 HA ASP A 137 16.085 -4.568 -9.160 1.00 12.42 H new ATOM 0 HB2 ASP A 137 17.625 -6.560 -9.448 1.00 62.41 H new ATOM 0 HB3 ASP A 137 16.582 -6.684 -8.045 1.00 62.41 H new ATOM 2335 N GLY A 138 16.275 -3.998 -11.549 1.00 62.21 N ATOM 2336 CA GLY A 138 16.630 -3.643 -12.938 1.00 30.11 C ATOM 2337 C GLY A 138 15.508 -3.855 -13.955 1.00 71.22 C ATOM 2338 O GLY A 138 15.726 -3.714 -15.159 1.00 71.32 O ATOM 0 H GLY A 138 16.267 -3.204 -10.909 1.00 62.21 H new ATOM 0 HA2 GLY A 138 16.935 -2.597 -12.965 1.00 30.11 H new ATOM 0 HA3 GLY A 138 17.494 -4.235 -13.241 1.00 30.11 H new ATOM 2342 N SER A 139 14.297 -4.170 -13.457 1.00 64.10 N ATOM 2343 CA SER A 139 13.113 -4.443 -14.292 1.00 72.10 C ATOM 2344 C SER A 139 12.493 -3.136 -14.797 1.00 62.54 C ATOM 2345 O SER A 139 12.996 -2.048 -14.477 1.00 12.42 O ATOM 2346 CB SER A 139 12.093 -5.245 -13.464 1.00 15.51 C ATOM 2347 OG SER A 139 12.604 -6.524 -13.115 1.00 54.44 O ATOM 0 H SER A 139 14.112 -4.243 -12.457 1.00 64.10 H new ATOM 0 HA SER A 139 13.410 -5.025 -15.164 1.00 72.10 H new ATOM 0 HB2 SER A 139 11.841 -4.692 -12.559 1.00 15.51 H new ATOM 0 HB3 SER A 139 11.171 -5.362 -14.033 1.00 15.51 H new ATOM 0 HG SER A 139 11.936 -7.011 -12.588 1.00 54.44 H new ATOM 2353 N TYR A 140 11.397 -3.252 -15.579 1.00 63.52 N ATOM 2354 CA TYR A 140 10.637 -2.104 -16.098 1.00 72.43 C ATOM 2355 C TYR A 140 9.938 -1.354 -14.940 1.00 41.43 C ATOM 2356 O TYR A 140 8.765 -1.583 -14.628 1.00 51.01 O ATOM 2357 CB TYR A 140 9.622 -2.559 -17.187 1.00 64.51 C ATOM 2358 CG TYR A 140 10.279 -3.144 -18.447 1.00 53.44 C ATOM 2359 CD1 TYR A 140 10.573 -4.511 -18.550 1.00 12.55 C ATOM 2360 CD2 TYR A 140 10.607 -2.330 -19.535 1.00 61.41 C ATOM 2361 CE1 TYR A 140 11.168 -5.034 -19.685 1.00 41.03 C ATOM 2362 CE2 TYR A 140 11.200 -2.856 -20.670 1.00 12.12 C ATOM 2363 CZ TYR A 140 11.477 -4.205 -20.737 1.00 23.02 C ATOM 2364 OH TYR A 140 12.060 -4.729 -21.870 1.00 73.22 O ATOM 0 H TYR A 140 11.016 -4.153 -15.867 1.00 63.52 H new ATOM 0 HA TYR A 140 11.331 -1.410 -16.573 1.00 72.43 H new ATOM 0 HB2 TYR A 140 8.954 -3.306 -16.758 1.00 64.51 H new ATOM 0 HB3 TYR A 140 9.005 -1.707 -17.473 1.00 64.51 H new ATOM 0 HD1 TYR A 140 10.331 -5.168 -17.728 1.00 12.55 H new ATOM 0 HD2 TYR A 140 10.394 -1.272 -19.489 1.00 61.41 H new ATOM 0 HE1 TYR A 140 11.389 -6.090 -19.744 1.00 41.03 H new ATOM 0 HE2 TYR A 140 11.445 -2.211 -21.501 1.00 12.12 H new ATOM 0 HH TYR A 140 12.214 -4.012 -22.520 1.00 73.22 H new ATOM 2374 N GLN A 141 10.732 -0.515 -14.268 1.00 44.12 N ATOM 2375 CA GLN A 141 10.279 0.383 -13.202 1.00 2.34 C ATOM 2376 C GLN A 141 10.028 1.766 -13.819 1.00 34.21 C ATOM 2377 O GLN A 141 10.181 1.953 -15.039 1.00 1.41 O ATOM 2378 CB GLN A 141 11.362 0.453 -12.081 1.00 43.43 C ATOM 2379 CG GLN A 141 11.802 -0.915 -11.522 1.00 25.14 C ATOM 2380 CD GLN A 141 13.005 -0.845 -10.569 1.00 30.13 C ATOM 2381 OE1 GLN A 141 12.856 -0.681 -9.361 1.00 51.43 O ATOM 2382 NE2 GLN A 141 14.207 -0.992 -11.111 1.00 52.44 N ATOM 0 H GLN A 141 11.732 -0.440 -14.455 1.00 44.12 H new ATOM 0 HA GLN A 141 9.357 0.017 -12.751 1.00 2.34 H new ATOM 0 HB2 GLN A 141 12.239 0.968 -12.474 1.00 43.43 H new ATOM 0 HB3 GLN A 141 10.977 1.058 -11.260 1.00 43.43 H new ATOM 0 HG2 GLN A 141 10.961 -1.368 -10.996 1.00 25.14 H new ATOM 0 HG3 GLN A 141 12.049 -1.573 -12.355 1.00 25.14 H new ATOM 0 HE21 GLN A 141 14.299 -1.127 -12.118 1.00 52.44 H new ATOM 0 HE22 GLN A 141 15.039 -0.970 -10.521 1.00 52.44 H new ATOM 2391 N CYS A 142 9.655 2.718 -12.977 1.00 64.42 N ATOM 2392 CA CYS A 142 9.411 4.105 -13.379 1.00 30.41 C ATOM 2393 C CYS A 142 10.744 4.781 -13.777 1.00 34.44 C ATOM 2394 O CYS A 142 10.966 5.095 -14.952 1.00 13.24 O ATOM 2395 CB CYS A 142 8.709 4.812 -12.204 1.00 31.22 C ATOM 2396 SG CYS A 142 9.286 4.225 -10.580 1.00 70.14 S ATOM 0 H CYS A 142 9.510 2.552 -11.981 1.00 64.42 H new ATOM 0 HA CYS A 142 8.767 4.162 -14.256 1.00 30.41 H new ATOM 0 HB2 CYS A 142 8.879 5.886 -12.278 1.00 31.22 H new ATOM 0 HB3 CYS A 142 7.633 4.654 -12.281 1.00 31.22 H new ATOM 0 HG CYS A 142 9.762 5.226 -9.901 1.00 70.14 H new ATOM 2401 N CYS A 143 11.633 4.976 -12.790 1.00 24.23 N ATOM 2402 CA CYS A 143 12.971 5.572 -13.008 1.00 41.24 C ATOM 2403 C CYS A 143 14.077 4.493 -13.060 1.00 31.22 C ATOM 2404 O CYS A 143 15.269 4.827 -13.160 1.00 35.25 O ATOM 2405 CB CYS A 143 13.245 6.588 -11.882 1.00 24.31 C ATOM 2406 SG CYS A 143 13.005 5.913 -10.214 1.00 11.34 S ATOM 0 H CYS A 143 11.450 4.727 -11.818 1.00 24.23 H new ATOM 0 HA CYS A 143 12.983 6.077 -13.974 1.00 41.24 H new ATOM 0 HB2 CYS A 143 14.269 6.951 -11.973 1.00 24.31 H new ATOM 0 HB3 CYS A 143 12.589 7.448 -12.014 1.00 24.31 H new ATOM 0 HG CYS A 143 13.849 6.468 -9.396 1.00 11.34 H new ATOM 2411 N ARG A 144 13.660 3.200 -12.951 1.00 23.24 N ATOM 2412 CA ARG A 144 14.555 2.003 -13.036 1.00 51.41 C ATOM 2413 C ARG A 144 15.442 1.886 -11.776 1.00 35.34 C ATOM 2414 O ARG A 144 16.342 1.040 -11.716 1.00 62.13 O ATOM 2415 CB ARG A 144 15.418 2.001 -14.344 1.00 5.32 C ATOM 2416 CG ARG A 144 14.608 2.136 -15.657 1.00 3.31 C ATOM 2417 CD ARG A 144 13.664 0.954 -15.913 1.00 31.21 C ATOM 2418 NE ARG A 144 14.396 -0.299 -16.202 1.00 61.41 N ATOM 2419 CZ ARG A 144 14.255 -1.041 -17.316 1.00 25.05 C ATOM 2420 NH1 ARG A 144 13.416 -0.670 -18.288 1.00 72.34 N ATOM 2421 NH2 ARG A 144 14.963 -2.156 -17.459 1.00 3.00 N ATOM 0 H ARG A 144 12.682 2.954 -12.800 1.00 23.24 H new ATOM 0 HA ARG A 144 13.913 1.123 -13.082 1.00 51.41 H new ATOM 0 HB2 ARG A 144 16.135 2.820 -14.290 1.00 5.32 H new ATOM 0 HB3 ARG A 144 15.993 1.076 -14.382 1.00 5.32 H new ATOM 0 HG2 ARG A 144 14.025 3.056 -15.623 1.00 3.31 H new ATOM 0 HG3 ARG A 144 15.300 2.227 -16.494 1.00 3.31 H new ATOM 0 HD2 ARG A 144 13.026 0.806 -15.042 1.00 31.21 H new ATOM 0 HD3 ARG A 144 13.009 1.191 -16.751 1.00 31.21 H new ATOM 0 HE ARG A 144 15.061 -0.627 -15.501 1.00 61.41 H new ATOM 0 HH11 ARG A 144 12.871 0.187 -18.192 1.00 72.34 H new ATOM 0 HH12 ARG A 144 13.321 -1.244 -19.126 1.00 72.34 H new ATOM 0 HH21 ARG A 144 15.610 -2.447 -16.726 1.00 3.00 H new ATOM 0 HH22 ARG A 144 14.859 -2.721 -18.302 1.00 3.00 H new ATOM 2435 N GLN A 145 15.125 2.701 -10.755 1.00 3.32 N ATOM 2436 CA GLN A 145 15.908 2.798 -9.519 1.00 31.41 C ATOM 2437 C GLN A 145 15.366 1.838 -8.456 1.00 52.30 C ATOM 2438 O GLN A 145 14.176 1.858 -8.131 1.00 63.41 O ATOM 2439 CB GLN A 145 15.872 4.246 -8.967 1.00 2.21 C ATOM 2440 CG GLN A 145 16.497 5.304 -9.895 1.00 55.04 C ATOM 2441 CD GLN A 145 16.427 6.737 -9.349 1.00 53.25 C ATOM 2442 OE1 GLN A 145 15.339 7.077 -8.668 1.00 14.41 O flip ATOM 2443 NE2 GLN A 145 17.326 7.547 -9.586 1.00 44.12 N flip ATOM 0 H GLN A 145 14.310 3.315 -10.768 1.00 3.32 H new ATOM 0 HA GLN A 145 16.937 2.526 -9.753 1.00 31.41 H new ATOM 0 HB2 GLN A 145 14.835 4.520 -8.772 1.00 2.21 H new ATOM 0 HB3 GLN A 145 16.393 4.269 -8.010 1.00 2.21 H new ATOM 0 HG2 GLN A 145 17.541 5.045 -10.072 1.00 55.04 H new ATOM 0 HG3 GLN A 145 15.991 5.269 -10.860 1.00 55.04 H new ATOM 0 HE21 GLN A 145 18.150 7.255 -10.112 1.00 44.12 H new ATOM 0 HE22 GLN A 145 17.246 8.509 -9.256 1.00 44.12 H new ATOM 2452 N THR A 146 16.256 0.997 -7.936 1.00 52.52 N ATOM 2453 CA THR A 146 16.018 0.176 -6.751 1.00 53.24 C ATOM 2454 C THR A 146 17.059 0.580 -5.686 1.00 71.52 C ATOM 2455 O THR A 146 17.849 -0.230 -5.189 1.00 41.33 O ATOM 2456 CB THR A 146 16.043 -1.359 -7.101 1.00 4.02 C ATOM 2457 OG1 THR A 146 15.963 -2.141 -5.902 1.00 52.44 O ATOM 2458 CG2 THR A 146 17.279 -1.785 -7.915 1.00 63.32 C ATOM 0 H THR A 146 17.185 0.864 -8.336 1.00 52.52 H new ATOM 0 HA THR A 146 15.020 0.353 -6.350 1.00 53.24 H new ATOM 0 HB THR A 146 15.173 -1.541 -7.732 1.00 4.02 H new ATOM 0 HG1 THR A 146 16.653 -1.845 -5.272 1.00 52.44 H new ATOM 0 HG21 THR A 146 17.229 -2.854 -8.120 1.00 63.32 H new ATOM 0 HG22 THR A 146 17.301 -1.236 -8.856 1.00 63.32 H new ATOM 0 HG23 THR A 146 18.183 -1.566 -7.346 1.00 63.32 H new ATOM 2466 N GLU A 147 17.052 1.890 -5.362 1.00 64.02 N ATOM 2467 CA GLU A 147 17.957 2.496 -4.357 1.00 3.30 C ATOM 2468 C GLU A 147 17.390 2.301 -2.942 1.00 50.32 C ATOM 2469 O GLU A 147 16.299 1.745 -2.782 1.00 43.40 O ATOM 2470 CB GLU A 147 18.146 4.011 -4.662 1.00 30.12 C ATOM 2471 CG GLU A 147 18.609 4.329 -6.098 1.00 53.23 C ATOM 2472 CD GLU A 147 19.937 3.649 -6.480 1.00 72.25 C ATOM 2473 OE1 GLU A 147 21.000 4.107 -6.011 1.00 24.41 O ATOM 2474 OE2 GLU A 147 19.920 2.656 -7.241 1.00 53.42 O ATOM 0 H GLU A 147 16.416 2.562 -5.791 1.00 64.02 H new ATOM 0 HA GLU A 147 18.927 2.002 -4.410 1.00 3.30 H new ATOM 0 HB2 GLU A 147 17.203 4.525 -4.477 1.00 30.12 H new ATOM 0 HB3 GLU A 147 18.874 4.420 -3.962 1.00 30.12 H new ATOM 0 HG2 GLU A 147 17.835 4.016 -6.799 1.00 53.23 H new ATOM 0 HG3 GLU A 147 18.718 5.408 -6.205 1.00 53.23 H new ATOM 2481 N LYS A 148 18.139 2.752 -1.920 1.00 44.41 N ATOM 2482 CA LYS A 148 17.678 2.702 -0.522 1.00 23.13 C ATOM 2483 C LYS A 148 16.523 3.705 -0.313 1.00 13.14 C ATOM 2484 O LYS A 148 16.762 4.884 -0.007 1.00 13.03 O ATOM 2485 CB LYS A 148 18.827 2.987 0.474 1.00 61.32 C ATOM 2486 CG LYS A 148 18.406 2.824 1.953 1.00 64.23 C ATOM 2487 CD LYS A 148 19.433 3.400 2.944 1.00 62.22 C ATOM 2488 CE LYS A 148 20.790 2.682 2.913 1.00 64.43 C ATOM 2489 NZ LYS A 148 21.757 3.328 3.849 1.00 53.23 N ATOM 0 H LYS A 148 19.068 3.156 -2.037 1.00 44.41 H new ATOM 0 HA LYS A 148 17.320 1.692 -0.324 1.00 23.13 H new ATOM 0 HB2 LYS A 148 19.657 2.313 0.263 1.00 61.32 H new ATOM 0 HB3 LYS A 148 19.192 4.002 0.317 1.00 61.32 H new ATOM 0 HG2 LYS A 148 17.446 3.317 2.107 1.00 64.23 H new ATOM 0 HG3 LYS A 148 18.258 1.766 2.167 1.00 64.23 H new ATOM 0 HD2 LYS A 148 19.586 4.456 2.723 1.00 62.22 H new ATOM 0 HD3 LYS A 148 19.024 3.342 3.953 1.00 62.22 H new ATOM 0 HE2 LYS A 148 20.658 1.635 3.186 1.00 64.43 H new ATOM 0 HE3 LYS A 148 21.192 2.699 1.900 1.00 64.43 H new ATOM 0 HZ1 LYS A 148 22.666 2.825 3.810 1.00 53.23 H new ATOM 0 HZ2 LYS A 148 21.898 4.320 3.572 1.00 53.23 H new ATOM 0 HZ3 LYS A 148 21.381 3.289 4.818 1.00 53.23 H new ATOM 2503 N LEU A 149 15.279 3.220 -0.562 1.00 54.34 N ATOM 2504 CA LEU A 149 14.034 3.973 -0.316 1.00 51.02 C ATOM 2505 C LEU A 149 14.048 5.338 -1.032 1.00 21.54 C ATOM 2506 O LEU A 149 13.645 6.350 -0.442 1.00 41.21 O ATOM 2507 CB LEU A 149 13.809 4.121 1.220 1.00 51.22 C ATOM 2508 CG LEU A 149 13.628 2.790 2.017 1.00 25.21 C ATOM 2509 CD1 LEU A 149 13.501 3.068 3.531 1.00 51.20 C ATOM 2510 CD2 LEU A 149 12.424 1.983 1.472 1.00 64.22 C ATOM 0 H LEU A 149 15.117 2.287 -0.942 1.00 54.34 H new ATOM 0 HA LEU A 149 13.195 3.417 -0.735 1.00 51.02 H new ATOM 0 HB2 LEU A 149 14.657 4.661 1.641 1.00 51.22 H new ATOM 0 HB3 LEU A 149 12.926 4.740 1.380 1.00 51.22 H new ATOM 0 HG LEU A 149 14.519 2.178 1.876 1.00 25.21 H new ATOM 0 HD11 LEU A 149 13.376 2.126 4.065 1.00 51.20 H new ATOM 0 HD12 LEU A 149 14.402 3.569 3.886 1.00 51.20 H new ATOM 0 HD13 LEU A 149 12.636 3.706 3.713 1.00 51.20 H new ATOM 0 HD21 LEU A 149 12.317 1.060 2.042 1.00 64.22 H new ATOM 0 HD22 LEU A 149 11.515 2.576 1.568 1.00 64.22 H new ATOM 0 HD23 LEU A 149 12.592 1.744 0.422 1.00 64.22 H new ATOM 2522 N ALA A 150 14.508 5.307 -2.310 1.00 53.12 N ATOM 2523 CA ALA A 150 14.718 6.497 -3.169 1.00 61.44 C ATOM 2524 C ALA A 150 13.554 7.523 -3.054 1.00 74.24 C ATOM 2525 O ALA A 150 12.383 7.119 -3.084 1.00 33.54 O ATOM 2526 CB ALA A 150 14.923 6.061 -4.640 1.00 74.32 C ATOM 0 H ALA A 150 14.748 4.434 -2.780 1.00 53.12 H new ATOM 0 HA ALA A 150 15.617 7.002 -2.816 1.00 61.44 H new ATOM 0 HB1 ALA A 150 15.076 6.942 -5.263 1.00 74.32 H new ATOM 0 HB2 ALA A 150 15.796 5.412 -4.709 1.00 74.32 H new ATOM 0 HB3 ALA A 150 14.041 5.521 -4.986 1.00 74.32 H new ATOM 2532 N PRO A 151 13.867 8.864 -2.913 1.00 31.20 N ATOM 2533 CA PRO A 151 12.861 9.911 -2.549 1.00 41.04 C ATOM 2534 C PRO A 151 11.675 10.022 -3.539 1.00 12.12 C ATOM 2535 O PRO A 151 10.654 10.633 -3.209 1.00 5.33 O ATOM 2536 CB PRO A 151 13.705 11.219 -2.506 1.00 74.33 C ATOM 2537 CG PRO A 151 14.915 10.927 -3.343 1.00 52.42 C ATOM 2538 CD PRO A 151 15.223 9.469 -3.092 1.00 24.03 C ATOM 0 HA PRO A 151 12.367 9.677 -1.606 1.00 41.04 H new ATOM 0 HB2 PRO A 151 13.144 12.064 -2.905 1.00 74.33 H new ATOM 0 HB3 PRO A 151 13.984 11.475 -1.484 1.00 74.33 H new ATOM 0 HG2 PRO A 151 14.718 11.113 -4.399 1.00 52.42 H new ATOM 0 HG3 PRO A 151 15.754 11.562 -3.059 1.00 52.42 H new ATOM 0 HD2 PRO A 151 15.758 9.020 -3.929 1.00 24.03 H new ATOM 0 HD3 PRO A 151 15.845 9.335 -2.207 1.00 24.03 H new ATOM 2546 N GLY A 152 11.841 9.441 -4.746 1.00 73.04 N ATOM 2547 CA GLY A 152 10.781 9.346 -5.752 1.00 12.35 C ATOM 2548 C GLY A 152 11.202 9.974 -7.065 1.00 4.14 C ATOM 2549 O GLY A 152 12.270 10.593 -7.153 1.00 32.10 O ATOM 0 H GLY A 152 12.723 9.024 -5.044 1.00 73.04 H new ATOM 0 HA2 GLY A 152 10.525 8.299 -5.914 1.00 12.35 H new ATOM 0 HA3 GLY A 152 9.882 9.840 -5.383 1.00 12.35 H new ATOM 2553 N CYS A 153 10.360 9.833 -8.085 1.00 33.51 N ATOM 2554 CA CYS A 153 10.618 10.370 -9.433 1.00 60.41 C ATOM 2555 C CYS A 153 9.503 11.329 -9.860 1.00 53.23 C ATOM 2556 O CYS A 153 9.770 12.392 -10.429 1.00 74.22 O ATOM 2557 CB CYS A 153 10.744 9.185 -10.402 1.00 20.11 C ATOM 2558 SG CYS A 153 9.368 8.007 -10.293 1.00 25.41 S ATOM 0 H CYS A 153 9.470 9.340 -8.007 1.00 33.51 H new ATOM 0 HA CYS A 153 11.544 10.945 -9.439 1.00 60.41 H new ATOM 0 HB2 CYS A 153 10.806 9.565 -11.422 1.00 20.11 H new ATOM 0 HB3 CYS A 153 11.678 8.660 -10.201 1.00 20.11 H new ATOM 0 HG CYS A 153 8.768 7.933 -11.444 1.00 25.41 H new ATOM 2563 N GLU A 154 8.257 10.960 -9.546 1.00 25.21 N ATOM 2564 CA GLU A 154 7.055 11.747 -9.895 1.00 54.43 C ATOM 2565 C GLU A 154 6.473 12.371 -8.626 1.00 71.44 C ATOM 2566 O GLU A 154 6.615 11.802 -7.551 1.00 20.21 O ATOM 2567 CB GLU A 154 6.016 10.842 -10.607 1.00 12.34 C ATOM 2568 CG GLU A 154 6.533 10.207 -11.912 1.00 12.21 C ATOM 2569 CD GLU A 154 6.855 11.251 -12.993 1.00 33.15 C ATOM 2570 OE1 GLU A 154 5.907 11.754 -13.642 1.00 22.43 O ATOM 2571 OE2 GLU A 154 8.045 11.581 -13.194 1.00 2.14 O ATOM 0 H GLU A 154 8.046 10.101 -9.038 1.00 25.21 H new ATOM 0 HA GLU A 154 7.324 12.549 -10.583 1.00 54.43 H new ATOM 0 HB2 GLU A 154 5.711 10.049 -9.924 1.00 12.34 H new ATOM 0 HB3 GLU A 154 5.126 11.431 -10.829 1.00 12.34 H new ATOM 0 HG2 GLU A 154 7.429 9.624 -11.698 1.00 12.21 H new ATOM 0 HG3 GLU A 154 5.785 9.513 -12.295 1.00 12.21 H new ATOM 2578 N LYS A 155 5.815 13.539 -8.757 1.00 34.01 N ATOM 2579 CA LYS A 155 5.326 14.309 -7.593 1.00 74.45 C ATOM 2580 C LYS A 155 4.177 13.581 -6.852 1.00 55.23 C ATOM 2581 O LYS A 155 3.281 13.010 -7.480 1.00 3.32 O ATOM 2582 CB LYS A 155 4.955 15.784 -8.005 1.00 62.00 C ATOM 2583 CG LYS A 155 4.127 15.973 -9.307 1.00 44.23 C ATOM 2584 CD LYS A 155 2.657 15.535 -9.194 1.00 50.04 C ATOM 2585 CE LYS A 155 1.851 15.840 -10.469 1.00 74.34 C ATOM 2586 NZ LYS A 155 1.730 17.305 -10.740 1.00 54.30 N ATOM 0 H LYS A 155 5.609 13.972 -9.657 1.00 34.01 H new ATOM 0 HA LYS A 155 6.142 14.378 -6.873 1.00 74.45 H new ATOM 0 HB2 LYS A 155 4.399 16.234 -7.183 1.00 62.00 H new ATOM 0 HB3 LYS A 155 5.882 16.348 -8.109 1.00 62.00 H new ATOM 0 HG2 LYS A 155 4.159 17.024 -9.594 1.00 44.23 H new ATOM 0 HG3 LYS A 155 4.601 15.408 -10.110 1.00 44.23 H new ATOM 0 HD2 LYS A 155 2.615 14.465 -8.989 1.00 50.04 H new ATOM 0 HD3 LYS A 155 2.195 16.041 -8.346 1.00 50.04 H new ATOM 0 HE2 LYS A 155 2.329 15.356 -11.320 1.00 74.34 H new ATOM 0 HE3 LYS A 155 0.854 15.409 -10.375 1.00 74.34 H new ATOM 0 HZ1 LYS A 155 1.043 17.461 -11.505 1.00 54.30 H new ATOM 0 HZ2 LYS A 155 1.407 17.792 -9.880 1.00 54.30 H new ATOM 0 HZ3 LYS A 155 2.656 17.683 -11.024 1.00 54.30 H new ATOM 2600 N TYR A 156 4.258 13.573 -5.516 1.00 23.34 N ATOM 2601 CA TYR A 156 3.226 13.011 -4.626 1.00 31.43 C ATOM 2602 C TYR A 156 2.490 14.155 -3.916 1.00 54.25 C ATOM 2603 O TYR A 156 3.104 15.171 -3.574 1.00 44.21 O ATOM 2604 CB TYR A 156 3.897 12.063 -3.580 1.00 1.14 C ATOM 2605 CG TYR A 156 2.948 11.501 -2.504 1.00 5.42 C ATOM 2606 CD1 TYR A 156 1.826 10.743 -2.854 1.00 21.04 C ATOM 2607 CD2 TYR A 156 3.164 11.742 -1.144 1.00 24.42 C ATOM 2608 CE1 TYR A 156 0.961 10.251 -1.893 1.00 63.24 C ATOM 2609 CE2 TYR A 156 2.298 11.250 -0.183 1.00 20.11 C ATOM 2610 CZ TYR A 156 1.202 10.506 -0.559 1.00 33.50 C ATOM 2611 OH TYR A 156 0.336 10.021 0.403 1.00 51.50 O ATOM 0 H TYR A 156 5.054 13.962 -5.011 1.00 23.34 H new ATOM 0 HA TYR A 156 2.508 12.436 -5.210 1.00 31.43 H new ATOM 0 HB2 TYR A 156 4.355 11.228 -4.111 1.00 1.14 H new ATOM 0 HB3 TYR A 156 4.702 12.606 -3.085 1.00 1.14 H new ATOM 0 HD1 TYR A 156 1.631 10.537 -3.896 1.00 21.04 H new ATOM 0 HD2 TYR A 156 4.022 12.322 -0.838 1.00 24.42 H new ATOM 0 HE1 TYR A 156 0.100 9.669 -2.186 1.00 63.24 H new ATOM 0 HE2 TYR A 156 2.482 11.450 0.862 1.00 20.11 H new ATOM 0 HH TYR A 156 -0.027 9.159 0.112 1.00 51.50 H new ATOM 2621 N ASN A 157 1.177 13.990 -3.683 1.00 25.51 N ATOM 2622 CA ASN A 157 0.391 14.938 -2.885 1.00 35.23 C ATOM 2623 C ASN A 157 -0.188 14.176 -1.677 1.00 72.42 C ATOM 2624 O ASN A 157 -1.002 13.256 -1.825 1.00 72.53 O ATOM 2625 CB ASN A 157 -0.697 15.659 -3.760 1.00 53.50 C ATOM 2626 CG ASN A 157 -1.842 14.766 -4.251 1.00 51.14 C ATOM 2627 OD1 ASN A 157 -1.745 14.118 -5.299 1.00 13.24 O ATOM 2628 ND2 ASN A 157 -2.938 14.735 -3.511 1.00 74.21 N ATOM 0 H ASN A 157 0.637 13.202 -4.040 1.00 25.51 H new ATOM 0 HA ASN A 157 1.021 15.745 -2.510 1.00 35.23 H new ATOM 0 HB2 ASN A 157 -1.121 16.479 -3.180 1.00 53.50 H new ATOM 0 HB3 ASN A 157 -0.207 16.102 -4.627 1.00 53.50 H new ATOM 0 HD21 ASN A 157 -3.733 14.165 -3.801 1.00 74.21 H new ATOM 0 HD22 ASN A 157 -2.988 15.281 -2.651 1.00 74.21 H new ATOM 2635 N LEU A 158 0.346 14.497 -0.487 1.00 35.21 N ATOM 2636 CA LEU A 158 -0.125 13.950 0.793 1.00 73.04 C ATOM 2637 C LEU A 158 -1.460 14.622 1.148 1.00 42.30 C ATOM 2638 O LEU A 158 -2.459 13.962 1.427 1.00 14.11 O ATOM 2639 CB LEU A 158 0.938 14.209 1.895 1.00 71.53 C ATOM 2640 CG LEU A 158 0.577 13.728 3.331 1.00 24.12 C ATOM 2641 CD1 LEU A 158 0.424 12.194 3.391 1.00 52.53 C ATOM 2642 CD2 LEU A 158 1.611 14.248 4.357 1.00 75.31 C ATOM 0 H LEU A 158 1.124 15.149 -0.387 1.00 35.21 H new ATOM 0 HA LEU A 158 -0.275 12.873 0.716 1.00 73.04 H new ATOM 0 HB2 LEU A 158 1.866 13.723 1.595 1.00 71.53 H new ATOM 0 HB3 LEU A 158 1.137 15.280 1.933 1.00 71.53 H new ATOM 0 HG LEU A 158 -0.392 14.150 3.597 1.00 24.12 H new ATOM 0 HD11 LEU A 158 0.172 11.893 4.408 1.00 52.53 H new ATOM 0 HD12 LEU A 158 -0.370 11.881 2.713 1.00 52.53 H new ATOM 0 HD13 LEU A 158 1.361 11.723 3.095 1.00 52.53 H new ATOM 0 HD21 LEU A 158 1.340 13.901 5.354 1.00 75.31 H new ATOM 0 HD22 LEU A 158 2.601 13.872 4.098 1.00 75.31 H new ATOM 0 HD23 LEU A 158 1.621 15.338 4.343 1.00 75.31 H new ATOM 2654 N PHE A 159 -1.440 15.957 1.131 1.00 2.40 N ATOM 2655 CA PHE A 159 -2.650 16.788 1.191 1.00 33.44 C ATOM 2656 C PHE A 159 -3.021 17.227 -0.236 1.00 53.13 C ATOM 2657 O PHE A 159 -2.261 16.976 -1.185 1.00 73.21 O ATOM 2658 CB PHE A 159 -2.431 18.024 2.105 1.00 1.02 C ATOM 2659 CG PHE A 159 -2.038 17.687 3.548 1.00 25.25 C ATOM 2660 CD1 PHE A 159 -3.009 17.466 4.527 1.00 4.34 C ATOM 2661 CD2 PHE A 159 -0.694 17.592 3.924 1.00 51.41 C ATOM 2662 CE1 PHE A 159 -2.649 17.160 5.830 1.00 14.21 C ATOM 2663 CE2 PHE A 159 -0.341 17.284 5.227 1.00 31.35 C ATOM 2664 CZ PHE A 159 -1.318 17.070 6.177 1.00 64.51 C ATOM 0 H PHE A 159 -0.577 16.498 1.075 1.00 2.40 H new ATOM 0 HA PHE A 159 -3.466 16.206 1.619 1.00 33.44 H new ATOM 0 HB2 PHE A 159 -1.654 18.650 1.667 1.00 1.02 H new ATOM 0 HB3 PHE A 159 -3.346 18.616 2.120 1.00 1.02 H new ATOM 0 HD1 PHE A 159 -4.055 17.534 4.265 1.00 4.34 H new ATOM 0 HD2 PHE A 159 0.078 17.761 3.188 1.00 51.41 H new ATOM 0 HE1 PHE A 159 -3.413 16.992 6.575 1.00 14.21 H new ATOM 0 HE2 PHE A 159 0.701 17.211 5.500 1.00 31.35 H new ATOM 0 HZ PHE A 159 -1.040 16.832 7.193 1.00 64.51 H new