USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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: B 81 ASN : amide:sc= -0.564! C(o=-0.37!,f=-2.5!) USER MOD Set 1.2: B 84 THR OG1 : rot -115:sc= 0.192 USER MOD Set 2.1: A 52 GLN : amide:sc= -9! C(o=-12!,f=-12!) USER MOD Set 2.2: B 56 SER OG : rot 65:sc= 2.14 USER MOD Set 2.3: B 64 GLN : amide:sc= -4.93! C(o=-12!,f=-14!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ 164:sc= 0.954 (180deg=0) USER MOD Set 3.2: B 52 CYS SG : rot -67:sc= -3.96! USER MOD Set 4.1: B 45 HIS : no HD1:sc= -0.0671 X(o=-0.023,f=-0.16) USER MOD Set 4.2: B 75 THR OG1 : rot -155:sc= 0.0445 USER MOD Set 5.1: B 17 GLN : amide:sc= -1.59! K(o=-0.58!,f=-5.3) USER MOD Set 5.2: B 18 LYS NZ :NH3+ -154:sc= 1 (180deg=-0.879) USER MOD Set 6.1: B 13 LYS NZ :NH3+ -128:sc= -0.419 (180deg=-3.06!) USER MOD Set 6.2: B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 179:sc= 1.15 (180deg=1.13) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Single : B 27 MET CE :methyl 176:sc= 0 (180deg=-0.0343) USER MOD Single : B 42 THR OG1 : rot 170:sc= 0.0189 USER MOD Single : B 44 SER OG : rot 180:sc=-0.00046 USER MOD Single : B 46 MET CE :methyl -156:sc= -0.152 (180deg=-0.935) USER MOD Single : B 47 TYR OH : rot 152:sc= 1.18 USER MOD Single : B 53 GLN : amide:sc= -1.25! C(o=-1.3!,f=-6.3!) USER MOD Single : B 54 LYS NZ :NH3+ 179:sc= 1.31 (180deg=1.28) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.7!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.253 F(o=-2.1,f=-0.25) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= -0.387 K(o=-0.39,f=-5.1!) USER MOD Single : B 78 HIS : no HD1:sc= -4.05 K(o=-4,f=-4.8!) USER MOD Single : B 80 SER OG : rot 11:sc= -0.898! USER MOD Single : B 83 SER OG : rot -89:sc= 1.3 USER MOD Single : B 87 LYS NZ :NH3+ 138:sc= -1.3! (180deg=-2.81!) USER MOD Single : B 93 LYS NZ :NH3+ -138:sc= 0.293 (180deg=-0.845) USER MOD Single : B 97 GLN : amide:sc= 0.494 K(o=0.49,f=-0.079) USER MOD Single : B 98 GLN : amide:sc= 0.411 X(o=0.41,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -139:sc= -2.38! (180deg=-4.09!) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.804 8.256 14.581 1.00 0.00 N ATOM 135 CA ILE A 50 -1.592 7.902 13.442 1.00 0.00 C ATOM 136 C ILE A 50 -2.196 6.514 13.613 1.00 0.00 C ATOM 137 O ILE A 50 -1.519 5.493 13.533 1.00 0.00 O ATOM 138 CB ILE A 50 -0.765 8.035 12.132 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.161 9.307 11.393 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.934 6.851 11.206 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.206 9.677 10.288 1.00 0.00 C ATOM 0 HA ILE A 50 -2.424 8.602 13.361 1.00 0.00 H new ATOM 0 HB ILE A 50 0.283 8.074 12.428 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.159 9.179 10.974 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.218 10.130 12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.333 7.002 10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.608 5.943 11.713 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.983 6.754 10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.547 10.592 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.789 9.836 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.167 8.871 9.555 1.00 0.00 H new ATOM 153 N GLU A 51 -3.466 6.530 13.959 1.00 0.00 N ATOM 154 CA GLU A 51 -4.271 5.331 14.108 1.00 0.00 C ATOM 155 C GLU A 51 -5.733 5.698 13.898 1.00 0.00 C ATOM 156 O GLU A 51 -6.652 5.050 14.386 1.00 0.00 O ATOM 157 CB GLU A 51 -4.045 4.605 15.433 1.00 0.00 C ATOM 158 CG GLU A 51 -3.033 3.470 15.308 1.00 0.00 C ATOM 159 CD GLU A 51 -3.299 2.584 14.100 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.206 1.729 14.171 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.607 2.748 13.071 1.00 0.00 O ATOM 0 H GLU A 51 -3.979 7.391 14.148 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.958 4.614 13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.697 5.318 16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.993 4.205 15.792 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.029 3.889 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.059 2.863 16.213 1.00 0.00 H new ATOM 168 N GLN A 52 -5.906 6.781 13.150 1.00 0.00 N ATOM 169 CA GLN A 52 -7.209 7.274 12.743 1.00 0.00 C ATOM 170 C GLN A 52 -7.430 6.732 11.363 1.00 0.00 C ATOM 171 O GLN A 52 -7.136 7.356 10.340 1.00 0.00 O ATOM 172 CB GLN A 52 -7.273 8.814 12.793 1.00 0.00 C ATOM 173 CG GLN A 52 -6.311 9.539 11.848 1.00 0.00 C ATOM 174 CD GLN A 52 -4.845 9.303 12.165 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.277 9.946 13.040 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.214 8.384 11.441 1.00 0.00 N ATOM 0 H GLN A 52 -5.131 7.348 12.806 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.997 6.943 13.419 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.291 9.127 12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.067 9.137 13.813 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.508 9.216 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.514 10.609 11.889 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.719 7.867 10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.225 8.195 11.606 1.00 0.00 H new ATOM 185 N TRP A 53 -7.886 5.517 11.347 1.00 0.00 N ATOM 186 CA TRP A 53 -8.064 4.821 10.123 1.00 0.00 C ATOM 187 C TRP A 53 -9.433 4.238 9.986 1.00 0.00 C ATOM 188 O TRP A 53 -10.249 4.262 10.903 1.00 0.00 O ATOM 189 CB TRP A 53 -7.053 3.685 10.057 1.00 0.00 C ATOM 190 CG TRP A 53 -5.636 4.144 10.087 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.950 4.639 11.137 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.752 4.145 9.001 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.671 4.973 10.755 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.526 4.674 9.430 1.00 0.00 C ATOM 195 CE3 TRP A 53 -4.898 3.752 7.705 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.444 4.815 8.560 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.860 3.880 6.858 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.643 4.408 7.272 1.00 0.00 C ATOM 0 H TRP A 53 -8.142 4.988 12.180 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.923 5.539 9.315 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.225 3.008 10.894 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.221 3.113 9.145 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.347 4.756 12.134 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.954 5.375 11.358 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.836 3.342 7.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.500 5.224 8.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.976 3.565 5.832 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.837 4.498 6.559 1.00 0.00 H new ATOM 209 N PHE A 54 -9.672 3.789 8.788 1.00 0.00 N ATOM 210 CA PHE A 54 -10.870 3.099 8.445 1.00 0.00 C ATOM 211 C PHE A 54 -10.416 1.721 8.116 1.00 0.00 C ATOM 212 O PHE A 54 -9.981 1.462 6.990 1.00 0.00 O ATOM 213 CB PHE A 54 -11.552 3.731 7.245 1.00 0.00 C ATOM 214 CG PHE A 54 -11.865 5.172 7.444 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.114 5.669 8.710 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.931 6.024 6.368 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.429 6.983 8.898 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.240 7.342 6.542 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.498 7.833 7.811 1.00 0.00 C ATOM 0 H PHE A 54 -9.022 3.897 8.009 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.601 3.126 9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.910 3.622 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.475 3.191 7.033 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.058 5.008 9.562 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.736 5.647 5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.624 7.357 9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.283 8.003 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.751 8.874 7.950 1.00 0.00 H new ATOM 246 N GLU A 56 -10.738 -0.979 6.746 1.00 0.00 N ATOM 247 CA GLU A 56 -11.490 -1.658 5.699 1.00 0.00 C ATOM 248 C GLU A 56 -11.561 -3.165 5.927 1.00 0.00 C ATOM 249 O GLU A 56 -12.579 -3.800 5.654 1.00 0.00 O ATOM 250 CB GLU A 56 -10.827 -1.367 4.362 1.00 0.00 C ATOM 251 CG GLU A 56 -11.296 -0.062 3.730 1.00 0.00 C ATOM 252 CD GLU A 56 -12.067 -0.296 2.444 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.641 -1.154 1.636 1.00 0.00 O ATOM 254 OE2 GLU A 56 -13.085 0.390 2.215 1.00 0.00 O ATOM 0 HA GLU A 56 -12.514 -1.285 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.747 -1.328 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.031 -2.189 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.926 0.477 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.433 0.572 3.525 1.00 0.00 H new ATOM 261 N ASP A 57 -10.474 -3.729 6.425 1.00 0.00 N ATOM 262 CA ASP A 57 -10.416 -5.151 6.704 1.00 0.00 C ATOM 263 C ASP A 57 -10.051 -5.370 8.168 1.00 0.00 C ATOM 264 O ASP A 57 -9.059 -4.822 8.643 1.00 0.00 O ATOM 265 CB ASP A 57 -9.402 -5.830 5.777 1.00 0.00 C ATOM 266 CG ASP A 57 -9.416 -7.344 5.885 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.108 -7.874 6.973 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.719 -8.008 4.872 1.00 0.00 O ATOM 0 H ASP A 57 -9.617 -3.221 6.645 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.393 -5.598 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.612 -5.543 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.402 -5.464 6.012 1.00 0.00 H new ATOM 415 N GLU B 7 2.786 -9.371 -12.474 1.00 0.00 N ATOM 416 CA GLU B 7 2.149 -8.246 -13.120 1.00 0.00 C ATOM 417 C GLU B 7 2.064 -7.067 -12.165 1.00 0.00 C ATOM 418 O GLU B 7 1.790 -7.234 -10.970 1.00 0.00 O ATOM 419 CB GLU B 7 0.749 -8.628 -13.606 1.00 0.00 C ATOM 420 CG GLU B 7 0.077 -7.540 -14.429 1.00 0.00 C ATOM 421 CD GLU B 7 0.916 -7.120 -15.619 1.00 0.00 C ATOM 422 OE1 GLU B 7 1.851 -6.310 -15.430 1.00 0.00 O ATOM 423 OE2 GLU B 7 0.650 -7.609 -16.734 1.00 0.00 O ATOM 0 HA GLU B 7 2.752 -7.959 -13.982 1.00 0.00 H new ATOM 0 HB2 GLU B 7 0.816 -9.537 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.124 -8.859 -12.744 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.892 -7.897 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.112 -6.673 -13.796 1.00 0.00 H new ATOM 430 N VAL B 8 2.298 -5.883 -12.696 1.00 0.00 N ATOM 431 CA VAL B 8 2.241 -4.675 -11.910 1.00 0.00 C ATOM 432 C VAL B 8 0.851 -4.081 -12.050 1.00 0.00 C ATOM 433 O VAL B 8 0.491 -3.511 -13.076 1.00 0.00 O ATOM 434 CB VAL B 8 3.329 -3.674 -12.329 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.415 -2.533 -11.327 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.671 -4.390 -12.454 1.00 0.00 C ATOM 0 H VAL B 8 2.531 -5.736 -13.678 1.00 0.00 H new ATOM 0 HA VAL B 8 2.434 -4.911 -10.864 1.00 0.00 H new ATOM 0 HB VAL B 8 3.069 -3.251 -13.299 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.190 -1.833 -11.638 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.456 -2.016 -11.281 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.660 -2.931 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.438 -3.675 -12.751 1.00 0.00 H new ATOM 0 HG22 VAL B 8 4.939 -4.831 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.596 -5.175 -13.206 1.00 0.00 H new ATOM 446 N LEU B 9 0.092 -4.216 -10.984 1.00 0.00 N ATOM 447 CA LEU B 9 -1.290 -3.797 -10.942 1.00 0.00 C ATOM 448 C LEU B 9 -1.442 -2.291 -10.857 1.00 0.00 C ATOM 449 O LEU B 9 -2.283 -1.710 -11.540 1.00 0.00 O ATOM 450 CB LEU B 9 -1.972 -4.461 -9.747 1.00 0.00 C ATOM 451 CG LEU B 9 -2.446 -5.896 -9.984 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.799 -6.560 -8.665 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.642 -5.916 -10.923 1.00 0.00 C ATOM 0 H LEU B 9 0.423 -4.626 -10.111 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.762 -4.107 -11.874 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.279 -4.458 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.830 -3.855 -9.455 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.634 -6.455 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.135 -7.580 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.920 -6.578 -8.020 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.596 -5.999 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.965 -6.945 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.459 -5.342 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.361 -5.475 -11.879 1.00 0.00 H new ATOM 465 N LEU B 10 -0.643 -1.653 -10.022 1.00 0.00 N ATOM 466 CA LEU B 10 -0.755 -0.220 -9.871 1.00 0.00 C ATOM 467 C LEU B 10 0.566 0.425 -9.505 1.00 0.00 C ATOM 468 O LEU B 10 1.199 0.053 -8.520 1.00 0.00 O ATOM 469 CB LEU B 10 -1.748 0.095 -8.766 1.00 0.00 C ATOM 470 CG LEU B 10 -2.531 1.399 -8.946 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.428 1.326 -10.173 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.355 1.707 -7.707 1.00 0.00 C ATOM 0 H LEU B 10 0.076 -2.096 -9.450 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.083 0.178 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.458 -0.729 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.211 0.140 -7.819 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.813 2.206 -9.093 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.974 2.263 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.818 1.158 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.136 0.505 -10.058 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.903 2.637 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.060 0.895 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.694 1.810 -6.847 1.00 0.00 H new ATOM 484 N ILE B 11 0.990 1.372 -10.314 1.00 0.00 N ATOM 485 CA ILE B 11 2.198 2.123 -10.024 1.00 0.00 C ATOM 486 C ILE B 11 1.807 3.499 -9.501 1.00 0.00 C ATOM 487 O ILE B 11 1.344 4.350 -10.259 1.00 0.00 O ATOM 488 CB ILE B 11 3.105 2.294 -11.262 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.512 0.927 -11.817 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.336 3.123 -10.904 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.388 1.001 -13.048 1.00 0.00 C ATOM 0 H ILE B 11 0.519 1.642 -11.177 1.00 0.00 H new ATOM 0 HA ILE B 11 2.764 1.562 -9.281 1.00 0.00 H new ATOM 0 HB ILE B 11 2.548 2.823 -12.035 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.040 0.373 -11.041 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.612 0.361 -12.057 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.967 3.236 -11.785 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.023 4.106 -10.553 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.898 2.619 -10.118 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.634 -0.007 -13.381 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.856 1.526 -13.842 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.306 1.538 -12.810 1.00 0.00 H new ATOM 503 N VAL B 12 1.983 3.709 -8.209 1.00 0.00 N ATOM 504 CA VAL B 12 1.649 4.983 -7.591 1.00 0.00 C ATOM 505 C VAL B 12 2.914 5.658 -7.099 1.00 0.00 C ATOM 506 O VAL B 12 3.608 5.127 -6.242 1.00 0.00 O ATOM 507 CB VAL B 12 0.677 4.804 -6.405 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.249 6.154 -5.854 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.536 3.984 -6.817 1.00 0.00 C ATOM 0 H VAL B 12 2.356 3.012 -7.564 1.00 0.00 H new ATOM 0 HA VAL B 12 1.159 5.599 -8.345 1.00 0.00 H new ATOM 0 HB VAL B 12 1.200 4.262 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.436 6.006 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.127 6.702 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.251 6.724 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.206 3.872 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.061 4.492 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.212 3.000 -7.156 1.00 0.00 H new ATOM 519 N LYS B 13 3.226 6.821 -7.637 1.00 0.00 N ATOM 520 CA LYS B 13 4.429 7.526 -7.234 1.00 0.00 C ATOM 521 C LYS B 13 4.144 8.526 -6.126 1.00 0.00 C ATOM 522 O LYS B 13 2.994 8.719 -5.731 1.00 0.00 O ATOM 523 CB LYS B 13 5.074 8.220 -8.431 1.00 0.00 C ATOM 524 CG LYS B 13 5.755 7.249 -9.380 1.00 0.00 C ATOM 525 CD LYS B 13 6.987 7.858 -10.026 1.00 0.00 C ATOM 526 CE LYS B 13 8.113 6.841 -10.121 1.00 0.00 C ATOM 527 NZ LYS B 13 8.635 6.469 -8.777 1.00 0.00 N ATOM 0 H LYS B 13 2.669 7.295 -8.348 1.00 0.00 H new ATOM 0 HA LYS B 13 5.128 6.788 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS B 13 4.312 8.778 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.806 8.945 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.038 6.348 -8.836 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.051 6.945 -10.155 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.737 8.223 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.318 8.719 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.754 5.948 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.923 7.250 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.669 6.582 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.209 7.086 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.392 5.479 -8.572 1.00 0.00 H new ATOM 541 N LYS B 14 5.209 9.151 -5.637 1.00 0.00 N ATOM 542 CA LYS B 14 5.134 10.134 -4.572 1.00 0.00 C ATOM 543 C LYS B 14 4.498 9.573 -3.306 1.00 0.00 C ATOM 544 O LYS B 14 3.736 10.255 -2.620 1.00 0.00 O ATOM 545 CB LYS B 14 4.388 11.359 -5.067 1.00 0.00 C ATOM 546 CG LYS B 14 5.299 12.407 -5.674 1.00 0.00 C ATOM 547 CD LYS B 14 6.147 13.077 -4.605 1.00 0.00 C ATOM 548 CE LYS B 14 7.381 13.723 -5.203 1.00 0.00 C ATOM 549 NZ LYS B 14 8.507 12.753 -5.360 1.00 0.00 N ATOM 0 H LYS B 14 6.157 8.985 -5.975 1.00 0.00 H new ATOM 0 HA LYS B 14 6.151 10.416 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.652 11.053 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.838 11.802 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.946 11.944 -6.419 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.702 13.157 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.554 13.831 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.445 12.340 -3.860 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.131 14.148 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.701 14.549 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 9.323 13.235 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.775 12.379 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.207 11.969 -5.974 1.00 0.00 H new ATOM 563 N VAL B 15 4.827 8.332 -2.993 1.00 0.00 N ATOM 564 CA VAL B 15 4.319 7.693 -1.792 1.00 0.00 C ATOM 565 C VAL B 15 5.440 7.616 -0.767 1.00 0.00 C ATOM 566 O VAL B 15 6.477 7.025 -1.032 1.00 0.00 O ATOM 567 CB VAL B 15 3.758 6.281 -2.073 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.177 5.670 -0.805 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.703 6.345 -3.167 1.00 0.00 C ATOM 0 H VAL B 15 5.445 7.746 -3.555 1.00 0.00 H new ATOM 0 HA VAL B 15 3.492 8.292 -1.409 1.00 0.00 H new ATOM 0 HB VAL B 15 4.575 5.644 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.788 4.676 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.957 5.594 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.370 6.302 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.315 5.344 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.889 6.996 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.149 6.740 -4.080 1.00 0.00 H new ATOM 579 N ARG B 16 5.240 8.233 0.383 1.00 0.00 N ATOM 580 CA ARG B 16 6.242 8.255 1.426 1.00 0.00 C ATOM 581 C ARG B 16 6.040 7.144 2.427 1.00 0.00 C ATOM 582 O ARG B 16 4.916 6.725 2.706 1.00 0.00 O ATOM 583 CB ARG B 16 6.218 9.590 2.175 1.00 0.00 C ATOM 584 CG ARG B 16 6.369 10.794 1.275 1.00 0.00 C ATOM 585 CD ARG B 16 6.623 12.068 2.063 1.00 0.00 C ATOM 586 NE ARG B 16 8.028 12.194 2.462 1.00 0.00 N ATOM 587 CZ ARG B 16 8.949 12.831 1.734 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.594 13.477 0.629 1.00 0.00 N ATOM 589 NH2 ARG B 16 10.221 12.841 2.118 1.00 0.00 N ATOM 0 H ARG B 16 4.381 8.730 0.617 1.00 0.00 H new ATOM 0 HA ARG B 16 7.204 8.117 0.933 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.279 9.672 2.723 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.020 9.597 2.914 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.193 10.627 0.582 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.467 10.913 0.675 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.338 12.930 1.460 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.991 12.077 2.951 1.00 0.00 H new ATOM 0 HE ARG B 16 8.318 11.772 3.344 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.617 13.487 0.336 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.298 13.963 0.074 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.499 12.360 2.973 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.919 13.329 1.557 1.00 0.00 H new ATOM 603 N GLN B 17 7.148 6.664 2.939 1.00 0.00 N ATOM 604 CA GLN B 17 7.148 5.650 3.962 1.00 0.00 C ATOM 605 C GLN B 17 8.305 5.957 4.891 1.00 0.00 C ATOM 606 O GLN B 17 9.458 5.700 4.557 1.00 0.00 O ATOM 607 CB GLN B 17 7.288 4.254 3.347 1.00 0.00 C ATOM 608 CG GLN B 17 6.638 3.157 4.176 1.00 0.00 C ATOM 609 CD GLN B 17 7.455 2.770 5.395 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.907 2.486 6.459 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.772 2.754 5.252 1.00 0.00 N ATOM 0 H GLN B 17 8.079 6.969 2.655 1.00 0.00 H new ATOM 0 HA GLN B 17 6.206 5.655 4.511 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.843 4.258 2.352 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.346 4.025 3.222 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.651 3.489 4.498 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.490 2.277 3.551 1.00 0.00 H new ATOM 0 HE21 GLN B 17 9.190 2.996 4.354 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.368 2.500 6.040 1.00 0.00 H new ATOM 620 N LYS B 18 7.982 6.513 6.049 1.00 0.00 N ATOM 621 CA LYS B 18 8.973 6.897 7.047 1.00 0.00 C ATOM 622 C LYS B 18 9.809 8.080 6.554 1.00 0.00 C ATOM 623 O LYS B 18 11.019 7.972 6.340 1.00 0.00 O ATOM 624 CB LYS B 18 9.855 5.711 7.461 1.00 0.00 C ATOM 625 CG LYS B 18 9.069 4.554 8.067 1.00 0.00 C ATOM 626 CD LYS B 18 8.274 4.985 9.293 1.00 0.00 C ATOM 627 CE LYS B 18 6.913 4.304 9.352 1.00 0.00 C ATOM 628 NZ LYS B 18 6.092 4.571 8.136 1.00 0.00 N ATOM 0 H LYS B 18 7.021 6.712 6.326 1.00 0.00 H new ATOM 0 HA LYS B 18 8.438 7.216 7.941 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.401 5.352 6.589 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.597 6.054 8.182 1.00 0.00 H new ATOM 0 HG2 LYS B 18 8.389 4.146 7.319 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.756 3.754 8.343 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.839 4.747 10.195 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.139 6.066 9.277 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.052 3.229 9.465 1.00 0.00 H new ATOM 0 HE3 LYS B 18 6.374 4.650 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.083 4.491 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.290 5.530 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.330 3.878 7.398 1.00 0.00 H new ATOM 642 N LYS B 19 9.111 9.197 6.350 1.00 0.00 N ATOM 643 CA LYS B 19 9.699 10.478 5.927 1.00 0.00 C ATOM 644 C LYS B 19 10.433 10.436 4.580 1.00 0.00 C ATOM 645 O LYS B 19 11.205 11.346 4.282 1.00 0.00 O ATOM 646 CB LYS B 19 10.652 11.012 7.008 1.00 0.00 C ATOM 647 CG LYS B 19 10.092 10.945 8.422 1.00 0.00 C ATOM 648 CD LYS B 19 8.684 11.515 8.505 1.00 0.00 C ATOM 649 CE LYS B 19 7.988 11.068 9.775 1.00 0.00 C ATOM 650 NZ LYS B 19 6.530 10.870 9.573 1.00 0.00 N ATOM 0 H LYS B 19 8.100 9.243 6.475 1.00 0.00 H new ATOM 0 HA LYS B 19 8.850 11.147 5.790 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.581 10.444 6.970 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.902 12.047 6.777 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.084 9.909 8.760 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.746 11.496 9.098 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.727 12.604 8.474 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.107 11.194 7.638 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.435 10.137 10.124 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.148 11.811 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.094 10.565 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.098 11.764 9.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.376 10.142 8.846 1.00 0.00 H new ATOM 664 N GLN B 20 10.169 9.448 3.737 1.00 0.00 N ATOM 665 CA GLN B 20 10.858 9.382 2.449 1.00 0.00 C ATOM 666 C GLN B 20 9.876 9.067 1.335 1.00 0.00 C ATOM 667 O GLN B 20 9.122 8.100 1.420 1.00 0.00 O ATOM 668 CB GLN B 20 11.994 8.354 2.484 1.00 0.00 C ATOM 669 CG GLN B 20 11.562 6.973 2.937 1.00 0.00 C ATOM 670 CD GLN B 20 12.712 6.153 3.481 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.363 5.409 2.750 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.966 6.285 4.773 1.00 0.00 N ATOM 0 H GLN B 20 9.501 8.697 3.911 1.00 0.00 H new ATOM 0 HA GLN B 20 11.300 10.358 2.250 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.432 8.278 1.489 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.777 8.715 3.151 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.795 7.070 3.705 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.109 6.445 2.098 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.400 6.914 5.342 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.728 5.758 5.199 1.00 0.00 H new ATOM 681 N ASP B 21 9.873 9.899 0.303 1.00 0.00 N ATOM 682 CA ASP B 21 8.962 9.717 -0.817 1.00 0.00 C ATOM 683 C ASP B 21 9.541 8.794 -1.867 1.00 0.00 C ATOM 684 O ASP B 21 10.720 8.863 -2.217 1.00 0.00 O ATOM 685 CB ASP B 21 8.556 11.057 -1.455 1.00 0.00 C ATOM 686 CG ASP B 21 9.726 11.900 -1.919 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.580 12.251 -1.075 1.00 0.00 O ATOM 688 OD2 ASP B 21 9.760 12.252 -3.118 1.00 0.00 O ATOM 0 H ASP B 21 10.491 10.706 0.219 1.00 0.00 H new ATOM 0 HA ASP B 21 8.065 9.252 -0.409 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.904 10.859 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.973 11.629 -0.733 1.00 0.00 H new ATOM 693 N GLY B 22 8.697 7.897 -2.325 1.00 0.00 N ATOM 694 CA GLY B 22 9.066 6.961 -3.341 1.00 0.00 C ATOM 695 C GLY B 22 7.896 6.613 -4.216 1.00 0.00 C ATOM 696 O GLY B 22 7.309 7.482 -4.861 1.00 0.00 O ATOM 0 H GLY B 22 7.736 7.803 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.866 7.380 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.459 6.055 -2.878 1.00 0.00 H new ATOM 700 N ALA B 23 7.532 5.349 -4.219 1.00 0.00 N ATOM 701 CA ALA B 23 6.429 4.885 -5.021 1.00 0.00 C ATOM 702 C ALA B 23 5.891 3.572 -4.491 1.00 0.00 C ATOM 703 O ALA B 23 6.654 2.690 -4.093 1.00 0.00 O ATOM 704 CB ALA B 23 6.868 4.739 -6.462 1.00 0.00 C ATOM 0 H ALA B 23 7.990 4.622 -3.669 1.00 0.00 H new ATOM 0 HA ALA B 23 5.626 5.620 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.030 4.388 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.206 5.704 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.685 4.020 -6.522 1.00 0.00 H new ATOM 710 N LEU B 24 4.581 3.451 -4.506 1.00 0.00 N ATOM 711 CA LEU B 24 3.906 2.265 -4.029 1.00 0.00 C ATOM 712 C LEU B 24 3.497 1.438 -5.245 1.00 0.00 C ATOM 713 O LEU B 24 2.670 1.868 -6.051 1.00 0.00 O ATOM 714 CB LEU B 24 2.679 2.679 -3.205 1.00 0.00 C ATOM 715 CG LEU B 24 2.282 1.753 -2.051 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.899 2.114 -1.536 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.328 0.297 -2.465 1.00 0.00 C ATOM 0 H LEU B 24 3.952 4.176 -4.851 1.00 0.00 H new ATOM 0 HA LEU B 24 4.558 1.670 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.863 3.673 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.828 2.765 -3.881 1.00 0.00 H new ATOM 0 HG LEU B 24 3.006 1.892 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.631 1.448 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.901 3.144 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.172 2.010 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.040 -0.330 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.637 0.132 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.339 0.040 -2.780 1.00 0.00 H new ATOM 729 N TYR B 25 4.098 0.272 -5.384 1.00 0.00 N ATOM 730 CA TYR B 25 3.822 -0.599 -6.521 1.00 0.00 C ATOM 731 C TYR B 25 2.959 -1.790 -6.119 1.00 0.00 C ATOM 732 O TYR B 25 3.336 -2.580 -5.252 1.00 0.00 O ATOM 733 CB TYR B 25 5.127 -1.117 -7.138 1.00 0.00 C ATOM 734 CG TYR B 25 6.100 -0.035 -7.560 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.011 0.493 -6.656 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.113 0.448 -8.863 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.907 1.474 -7.035 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.007 1.430 -9.250 1.00 0.00 C ATOM 739 CZ TYR B 25 7.901 1.940 -8.332 1.00 0.00 C ATOM 740 OH TYR B 25 8.795 2.921 -8.713 1.00 0.00 O ATOM 0 H TYR B 25 4.783 -0.099 -4.725 1.00 0.00 H new ATOM 0 HA TYR B 25 3.280 -0.002 -7.254 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.620 -1.769 -6.417 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.885 -1.728 -8.007 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.020 0.131 -5.639 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.414 0.051 -9.584 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.609 1.874 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.005 1.796 -10.266 1.00 0.00 H new ATOM 0 HH TYR B 25 8.660 3.137 -9.659 1.00 0.00 H new ATOM 750 N LEU B 26 1.802 -1.911 -6.748 1.00 0.00 N ATOM 751 CA LEU B 26 0.908 -3.027 -6.484 1.00 0.00 C ATOM 752 C LEU B 26 1.226 -4.155 -7.446 1.00 0.00 C ATOM 753 O LEU B 26 1.275 -3.936 -8.654 1.00 0.00 O ATOM 754 CB LEU B 26 -0.562 -2.635 -6.662 1.00 0.00 C ATOM 755 CG LEU B 26 -1.053 -1.467 -5.813 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.571 -1.401 -5.830 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.558 -1.589 -4.397 1.00 0.00 C ATOM 0 H LEU B 26 1.459 -1.250 -7.445 1.00 0.00 H new ATOM 0 HA LEU B 26 1.058 -3.337 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.727 -2.390 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.179 -3.505 -6.437 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.654 -0.547 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.906 -0.562 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.918 -1.265 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.980 -2.328 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.921 -0.745 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.926 -2.518 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.532 -1.593 -4.392 1.00 0.00 H new ATOM 769 N MET B 27 1.463 -5.343 -6.925 1.00 0.00 N ATOM 770 CA MET B 27 1.755 -6.492 -7.766 1.00 0.00 C ATOM 771 C MET B 27 0.678 -7.541 -7.569 1.00 0.00 C ATOM 772 O MET B 27 -0.014 -7.538 -6.557 1.00 0.00 O ATOM 773 CB MET B 27 3.127 -7.091 -7.446 1.00 0.00 C ATOM 774 CG MET B 27 4.274 -6.099 -7.542 1.00 0.00 C ATOM 775 SD MET B 27 5.706 -6.601 -6.568 1.00 0.00 S ATOM 776 CE MET B 27 6.925 -5.419 -7.132 1.00 0.00 C ATOM 0 H MET B 27 1.460 -5.540 -5.924 1.00 0.00 H new ATOM 0 HA MET B 27 1.772 -6.161 -8.804 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.104 -7.507 -6.439 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.318 -7.919 -8.129 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.569 -5.990 -8.586 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.933 -5.121 -7.203 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.849 -5.553 -6.570 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.120 -5.576 -8.193 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.550 -4.407 -6.978 1.00 0.00 H new ATOM 786 N ALA B 28 0.561 -8.441 -8.523 1.00 0.00 N ATOM 787 CA ALA B 28 -0.452 -9.494 -8.490 1.00 0.00 C ATOM 788 C ALA B 28 -0.429 -10.321 -7.205 1.00 0.00 C ATOM 789 O ALA B 28 -1.474 -10.570 -6.605 1.00 0.00 O ATOM 790 CB ALA B 28 -0.273 -10.409 -9.681 1.00 0.00 C ATOM 0 H ALA B 28 1.162 -8.470 -9.347 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.421 -8.995 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.029 -11.193 -9.654 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.379 -9.834 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.719 -10.860 -9.647 1.00 0.00 H new ATOM 796 N GLU B 29 0.756 -10.739 -6.785 1.00 0.00 N ATOM 797 CA GLU B 29 0.882 -11.574 -5.598 1.00 0.00 C ATOM 798 C GLU B 29 1.262 -10.789 -4.348 1.00 0.00 C ATOM 799 O GLU B 29 1.236 -11.340 -3.243 1.00 0.00 O ATOM 800 CB GLU B 29 1.926 -12.665 -5.841 1.00 0.00 C ATOM 801 CG GLU B 29 1.407 -13.835 -6.662 1.00 0.00 C ATOM 802 CD GLU B 29 0.705 -14.879 -5.816 1.00 0.00 C ATOM 803 OE1 GLU B 29 0.521 -14.646 -4.604 1.00 0.00 O ATOM 804 OE2 GLU B 29 0.342 -15.942 -6.361 1.00 0.00 O ATOM 0 H GLU B 29 1.639 -10.516 -7.244 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.101 -12.010 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.784 -12.227 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU B 29 2.281 -13.036 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.717 -13.464 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.239 -14.301 -7.189 1.00 0.00 H new ATOM 811 N ARG B 30 1.573 -9.504 -4.482 1.00 0.00 N ATOM 812 CA ARG B 30 1.988 -8.747 -3.299 1.00 0.00 C ATOM 813 C ARG B 30 2.071 -7.250 -3.538 1.00 0.00 C ATOM 814 O ARG B 30 1.910 -6.767 -4.649 1.00 0.00 O ATOM 815 CB ARG B 30 3.356 -9.243 -2.819 1.00 0.00 C ATOM 816 CG ARG B 30 4.524 -8.710 -3.631 1.00 0.00 C ATOM 817 CD ARG B 30 5.761 -9.573 -3.459 1.00 0.00 C ATOM 818 NE ARG B 30 5.680 -10.807 -4.237 1.00 0.00 N ATOM 819 CZ ARG B 30 5.810 -10.854 -5.563 1.00 0.00 C ATOM 820 NH1 ARG B 30 5.986 -9.738 -6.253 1.00 0.00 N ATOM 821 NH2 ARG B 30 5.759 -12.011 -6.203 1.00 0.00 N ATOM 0 H ARG B 30 1.549 -8.980 -5.357 1.00 0.00 H new ATOM 0 HA ARG B 30 1.219 -8.915 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.490 -8.956 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.369 -10.332 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.249 -8.673 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.746 -7.688 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.642 -9.009 -3.765 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.889 -9.817 -2.404 1.00 0.00 H new ATOM 0 HE ARG B 30 5.515 -11.681 -3.738 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.022 -8.840 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.085 -9.776 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.619 -12.876 -5.682 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.859 -12.037 -7.218 1.00 0.00 H new ATOM 835 N ILE B 31 2.336 -6.534 -2.460 1.00 0.00 N ATOM 836 CA ILE B 31 2.485 -5.095 -2.500 1.00 0.00 C ATOM 837 C ILE B 31 3.953 -4.757 -2.228 1.00 0.00 C ATOM 838 O ILE B 31 4.612 -5.446 -1.446 1.00 0.00 O ATOM 839 CB ILE B 31 1.558 -4.420 -1.461 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.483 -2.913 -1.694 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.019 -4.718 -0.043 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.415 -2.226 -0.865 1.00 0.00 C ATOM 0 H ILE B 31 2.454 -6.938 -1.531 1.00 0.00 H new ATOM 0 HA ILE B 31 2.197 -4.718 -3.481 1.00 0.00 H new ATOM 0 HB ILE B 31 0.558 -4.836 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.452 -2.469 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.289 -2.726 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.350 -4.232 0.667 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.006 -5.795 0.125 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.032 -4.341 0.097 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.418 -1.158 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.561 -2.643 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.620 -2.383 0.194 1.00 0.00 H new ATOM 854 N ALA B 32 4.480 -3.742 -2.893 1.00 0.00 N ATOM 855 CA ALA B 32 5.875 -3.370 -2.703 1.00 0.00 C ATOM 856 C ALA B 32 6.062 -1.861 -2.744 1.00 0.00 C ATOM 857 O ALA B 32 5.213 -1.135 -3.256 1.00 0.00 O ATOM 858 CB ALA B 32 6.744 -4.037 -3.756 1.00 0.00 C ATOM 0 H ALA B 32 3.971 -3.165 -3.563 1.00 0.00 H new ATOM 0 HA ALA B 32 6.181 -3.716 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.785 -3.751 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.649 -5.120 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.422 -3.719 -4.748 1.00 0.00 H new ATOM 864 N TRP B 33 7.180 -1.396 -2.207 1.00 0.00 N ATOM 865 CA TRP B 33 7.474 0.023 -2.184 1.00 0.00 C ATOM 866 C TRP B 33 8.958 0.272 -2.463 1.00 0.00 C ATOM 867 O TRP B 33 9.818 -0.510 -2.051 1.00 0.00 O ATOM 868 CB TRP B 33 7.062 0.625 -0.835 1.00 0.00 C ATOM 869 CG TRP B 33 7.155 2.111 -0.818 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.174 3.000 -1.141 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.301 2.883 -0.473 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.655 4.279 -1.041 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.957 4.231 -0.628 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.590 2.560 -0.055 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.856 5.258 -0.385 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.481 3.579 0.193 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.112 4.919 0.024 1.00 0.00 C ATOM 0 H TRP B 33 7.897 -1.984 -1.782 1.00 0.00 H new ATOM 0 HA TRP B 33 6.899 0.512 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.039 0.326 -0.605 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.698 0.216 -0.050 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.168 2.736 -1.432 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.127 5.129 -1.242 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.885 1.529 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.571 6.292 -0.515 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.481 3.341 0.523 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.834 5.697 0.221 1.00 0.00 H new ATOM 888 N ALA B 34 9.238 1.361 -3.172 1.00 0.00 N ATOM 889 CA ALA B 34 10.597 1.748 -3.538 1.00 0.00 C ATOM 890 C ALA B 34 10.720 3.269 -3.550 1.00 0.00 C ATOM 891 O ALA B 34 9.837 3.944 -4.072 1.00 0.00 O ATOM 892 CB ALA B 34 10.978 1.168 -4.894 1.00 0.00 C ATOM 0 H ALA B 34 8.523 2.005 -3.511 1.00 0.00 H new ATOM 0 HA ALA B 34 11.286 1.345 -2.795 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.995 1.470 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.922 0.080 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.291 1.539 -5.654 1.00 0.00 H new ATOM 898 N PRO B 35 11.791 3.833 -2.955 1.00 0.00 N ATOM 899 CA PRO B 35 11.987 5.289 -2.906 1.00 0.00 C ATOM 900 C PRO B 35 12.050 5.927 -4.297 1.00 0.00 C ATOM 901 O PRO B 35 12.269 5.243 -5.301 1.00 0.00 O ATOM 902 CB PRO B 35 13.314 5.472 -2.169 1.00 0.00 C ATOM 903 CG PRO B 35 13.603 4.163 -1.511 1.00 0.00 C ATOM 904 CD PRO B 35 12.896 3.103 -2.314 1.00 0.00 C ATOM 0 HA PRO B 35 11.149 5.779 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.110 5.745 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.244 6.272 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.676 3.974 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.252 4.164 -0.479 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.559 2.650 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.529 2.297 -1.679 1.00 0.00 H new ATOM 992 N PHE B 41 13.251 -2.215 -4.571 1.00 0.00 N ATOM 993 CA PHE B 41 12.125 -2.238 -3.650 1.00 0.00 C ATOM 994 C PHE B 41 12.631 -2.539 -2.248 1.00 0.00 C ATOM 995 O PHE B 41 13.253 -3.574 -2.016 1.00 0.00 O ATOM 996 CB PHE B 41 11.103 -3.296 -4.078 1.00 0.00 C ATOM 997 CG PHE B 41 10.634 -3.147 -5.499 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.594 -2.288 -5.815 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.236 -3.868 -6.520 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.163 -2.150 -7.121 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.809 -3.733 -7.828 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.771 -2.872 -8.127 1.00 0.00 C ATOM 0 HA PHE B 41 11.635 -1.265 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.544 -4.285 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.241 -3.245 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.114 -1.720 -5.032 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.048 -4.543 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.351 -1.477 -7.354 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.286 -4.299 -8.614 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.436 -2.764 -9.148 1.00 0.00 H new ATOM 1012 N THR B 42 12.375 -1.632 -1.324 1.00 0.00 N ATOM 1013 CA THR B 42 12.826 -1.794 0.045 1.00 0.00 C ATOM 1014 C THR B 42 11.760 -2.450 0.909 1.00 0.00 C ATOM 1015 O THR B 42 12.039 -2.918 2.013 1.00 0.00 O ATOM 1016 CB THR B 42 13.207 -0.431 0.640 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.187 0.534 0.342 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.529 0.043 0.069 1.00 0.00 C ATOM 0 H THR B 42 11.855 -0.772 -1.498 1.00 0.00 H new ATOM 0 HA THR B 42 13.700 -2.445 0.031 1.00 0.00 H new ATOM 0 HB THR B 42 13.303 -0.539 1.720 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.352 1.353 0.855 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.786 1.011 0.500 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.309 -0.680 0.309 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.444 0.139 -1.013 1.00 0.00 H new ATOM 1026 N ILE B 43 10.541 -2.484 0.399 1.00 0.00 N ATOM 1027 CA ILE B 43 9.429 -3.071 1.122 1.00 0.00 C ATOM 1028 C ILE B 43 8.619 -3.985 0.210 1.00 0.00 C ATOM 1029 O ILE B 43 8.318 -3.628 -0.928 1.00 0.00 O ATOM 1030 CB ILE B 43 8.525 -1.962 1.714 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.121 -1.438 3.022 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.099 -2.457 1.937 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.396 -0.232 3.579 1.00 0.00 C ATOM 0 H ILE B 43 10.297 -2.110 -0.518 1.00 0.00 H new ATOM 0 HA ILE B 43 9.829 -3.669 1.941 1.00 0.00 H new ATOM 0 HB ILE B 43 8.480 -1.147 0.992 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.104 -2.236 3.764 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.167 -1.178 2.857 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.495 -1.651 2.353 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.672 -2.777 0.986 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.110 -3.298 2.631 1.00 0.00 H new ATOM 0 HD11 ILE B 43 8.874 0.084 4.506 1.00 0.00 H new ATOM 0 HD12 ILE B 43 8.435 0.582 2.855 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.356 -0.492 3.777 1.00 0.00 H new ATOM 1045 N SER B 44 8.306 -5.173 0.705 1.00 0.00 N ATOM 1046 CA SER B 44 7.526 -6.145 -0.035 1.00 0.00 C ATOM 1047 C SER B 44 6.676 -6.946 0.948 1.00 0.00 C ATOM 1048 O SER B 44 7.198 -7.476 1.929 1.00 0.00 O ATOM 1049 CB SER B 44 8.460 -7.069 -0.813 1.00 0.00 C ATOM 1050 OG SER B 44 7.797 -7.677 -1.908 1.00 0.00 O ATOM 0 H SER B 44 8.588 -5.488 1.633 1.00 0.00 H new ATOM 0 HA SER B 44 6.873 -5.639 -0.746 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.317 -6.501 -1.175 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.848 -7.840 -0.147 1.00 0.00 H new ATOM 0 HG SER B 44 8.423 -8.261 -2.386 1.00 0.00 H new ATOM 1056 N HIS B 45 5.376 -7.031 0.696 1.00 0.00 N ATOM 1057 CA HIS B 45 4.474 -7.748 1.577 1.00 0.00 C ATOM 1058 C HIS B 45 3.467 -8.515 0.751 1.00 0.00 C ATOM 1059 O HIS B 45 2.665 -7.928 0.022 1.00 0.00 O ATOM 1060 CB HIS B 45 3.753 -6.787 2.536 1.00 0.00 C ATOM 1061 CG HIS B 45 4.656 -6.127 3.537 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.377 -6.811 4.492 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.962 -4.813 3.711 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.081 -5.917 5.197 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.865 -4.691 4.762 1.00 0.00 N ATOM 0 H HIS B 45 4.925 -6.609 -0.116 1.00 0.00 H new ATOM 0 HA HIS B 45 5.058 -8.444 2.180 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.252 -6.016 1.951 1.00 0.00 H new ATOM 0 HB3 HIS B 45 2.978 -7.337 3.069 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.567 -3.995 3.127 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.740 -6.167 6.015 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.276 -3.830 5.122 1.00 0.00 H new ATOM 1073 N MET B 46 3.537 -9.826 0.841 1.00 0.00 N ATOM 1074 CA MET B 46 2.635 -10.691 0.110 1.00 0.00 C ATOM 1075 C MET B 46 1.222 -10.526 0.639 1.00 0.00 C ATOM 1076 O MET B 46 1.024 -10.383 1.843 1.00 0.00 O ATOM 1077 CB MET B 46 3.083 -12.142 0.263 1.00 0.00 C ATOM 1078 CG MET B 46 4.377 -12.478 -0.463 1.00 0.00 C ATOM 1079 SD MET B 46 4.154 -12.703 -2.240 1.00 0.00 S ATOM 1080 CE MET B 46 3.142 -14.183 -2.270 1.00 0.00 C ATOM 0 H MET B 46 4.216 -10.320 1.419 1.00 0.00 H new ATOM 0 HA MET B 46 2.651 -10.420 -0.946 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.208 -12.362 1.323 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.293 -12.795 -0.107 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.100 -11.681 -0.292 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.799 -13.388 -0.038 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.266 -14.689 -3.228 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.449 -14.850 -1.465 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.095 -13.911 -2.136 1.00 0.00 H new ATOM 1090 N TYR B 47 0.242 -10.527 -0.257 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.163 -10.401 0.148 1.00 0.00 C ATOM 1092 C TYR B 47 -1.563 -11.552 1.065 1.00 0.00 C ATOM 1093 O TYR B 47 -2.586 -11.499 1.738 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.087 -10.381 -1.069 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.851 -9.221 -2.001 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.665 -7.934 -1.515 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.810 -9.416 -3.372 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.445 -6.875 -2.370 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.589 -8.364 -4.232 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.406 -7.094 -3.728 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.181 -6.045 -4.586 1.00 0.00 O ATOM 0 H TYR B 47 0.387 -10.613 -1.263 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.266 -9.458 0.685 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.960 -11.311 -1.624 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.121 -10.353 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.693 -7.759 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.954 -10.409 -3.772 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.304 -5.879 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.559 -8.533 -5.298 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.746 -6.375 -5.399 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.747 -12.593 1.070 1.00 0.00 N ATOM 1112 CA ALA B 48 -0.987 -13.752 1.904 1.00 0.00 C ATOM 1113 C ALA B 48 -0.441 -13.528 3.311 1.00 0.00 C ATOM 1114 O ALA B 48 -0.784 -14.252 4.243 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.356 -14.978 1.277 1.00 0.00 C ATOM 0 H ALA B 48 0.095 -12.656 0.498 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.063 -13.910 1.982 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.540 -15.846 1.910 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.791 -15.148 0.292 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.718 -14.824 1.177 1.00 0.00 H new ATOM 1121 N ASP B 49 0.410 -12.520 3.452 1.00 0.00 N ATOM 1122 CA ASP B 49 1.001 -12.190 4.744 1.00 0.00 C ATOM 1123 C ASP B 49 0.309 -10.973 5.326 1.00 0.00 C ATOM 1124 O ASP B 49 0.539 -10.598 6.478 1.00 0.00 O ATOM 1125 CB ASP B 49 2.502 -11.925 4.612 1.00 0.00 C ATOM 1126 CG ASP B 49 3.253 -13.111 4.048 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.043 -14.240 4.545 1.00 0.00 O ATOM 1128 OD2 ASP B 49 4.040 -12.918 3.101 1.00 0.00 O ATOM 0 H ASP B 49 0.707 -11.915 2.686 1.00 0.00 H new ATOM 0 HA ASP B 49 0.865 -13.041 5.412 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.660 -11.060 3.968 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.910 -11.673 5.591 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.538 -10.357 4.517 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.295 -9.197 4.941 1.00 0.00 C ATOM 1135 C ILE B 50 -2.663 -9.652 5.423 1.00 0.00 C ATOM 1136 O ILE B 50 -3.464 -10.182 4.656 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.453 -8.172 3.808 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.085 -7.745 3.274 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.238 -6.960 4.292 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.157 -6.961 1.983 1.00 0.00 C ATOM 0 H ILE B 50 -0.717 -10.647 3.556 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.751 -8.707 5.749 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.008 -8.641 2.995 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.418 -7.141 4.029 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.528 -8.633 3.117 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.341 -6.244 3.477 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.227 -7.276 4.624 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.709 -6.492 5.122 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.850 -6.692 1.664 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.631 -7.570 1.213 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -0.742 -6.055 2.140 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.912 -9.443 6.698 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.152 -9.857 7.325 1.00 0.00 C ATOM 1154 C LYS B 51 -5.271 -8.847 7.090 1.00 0.00 C ATOM 1155 O LYS B 51 -6.407 -9.232 6.826 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.897 -10.059 8.825 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.145 -10.147 9.686 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.835 -9.783 11.131 1.00 0.00 C ATOM 1159 CE LYS B 51 -6.058 -9.939 12.027 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.953 -8.750 11.963 1.00 0.00 N ATOM 0 H LYS B 51 -2.260 -8.980 7.331 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.483 -10.794 6.876 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.317 -10.972 8.959 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.282 -9.235 9.187 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.910 -9.477 9.294 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.552 -11.157 9.641 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.030 -10.417 11.501 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.478 -8.754 11.178 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.614 -10.828 11.729 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.736 -10.095 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.884 -8.994 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.537 -7.972 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.064 -8.452 10.973 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.951 -7.559 7.183 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.961 -6.514 7.001 1.00 0.00 C ATOM 1176 C CYS B 52 -5.372 -5.247 6.396 1.00 0.00 C ATOM 1177 O CYS B 52 -4.165 -5.155 6.176 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.606 -6.165 8.341 1.00 0.00 C ATOM 1179 SG CYS B 52 -7.132 -7.592 9.293 1.00 0.00 S ATOM 0 H CYS B 52 -4.012 -7.214 7.381 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.707 -6.910 6.312 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.897 -5.587 8.934 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.469 -5.523 8.161 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.110 -8.188 8.678 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.232 -4.261 6.153 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.805 -3.001 5.589 1.00 0.00 C ATOM 1187 C GLN B 53 -6.629 -1.871 6.175 1.00 0.00 C ATOM 1188 O GLN B 53 -7.836 -2.010 6.379 1.00 0.00 O ATOM 1189 CB GLN B 53 -5.965 -3.001 4.066 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.411 -3.122 3.608 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.686 -2.363 2.328 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.974 -1.425 1.978 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.741 -2.749 1.633 1.00 0.00 N ATOM 0 H GLN B 53 -7.233 -4.320 6.342 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.752 -2.860 5.832 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.541 -2.081 3.664 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.389 -3.827 3.648 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.654 -4.174 3.460 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.069 -2.750 4.394 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.307 -3.533 1.958 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.990 -2.263 0.771 1.00 0.00 H new ATOM 1202 N LYS B 54 -5.974 -0.776 6.491 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.663 0.381 6.996 1.00 0.00 C ATOM 1204 C LYS B 54 -6.409 1.531 6.059 1.00 0.00 C ATOM 1205 O LYS B 54 -5.425 1.530 5.318 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.175 0.848 8.354 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.611 -0.176 9.306 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.369 0.528 10.629 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.733 -0.306 11.835 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.247 0.537 12.945 1.00 0.00 N ATOM 0 H LYS B 54 -4.963 -0.667 6.405 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.711 0.092 7.081 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.408 1.605 8.189 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.008 1.342 8.854 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.305 -1.007 9.433 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.682 -0.593 8.917 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.317 0.807 10.695 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.946 1.452 10.650 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.488 -1.041 11.556 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.857 -0.860 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.503 -0.068 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.511 1.211 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.087 1.060 12.624 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.267 2.524 6.108 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.068 3.708 5.276 1.00 0.00 C ATOM 1226 C ILE B 55 -7.298 4.995 6.080 1.00 0.00 C ATOM 1227 O ILE B 55 -8.334 5.163 6.723 1.00 0.00 O ATOM 1228 CB ILE B 55 -7.933 3.693 3.987 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.343 4.217 4.229 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.010 2.291 3.406 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.035 4.609 2.950 1.00 0.00 C ATOM 0 H ILE B 55 -8.097 2.546 6.700 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.028 3.685 4.951 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.443 4.359 3.277 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.930 3.452 4.737 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.298 5.079 4.894 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.621 2.304 2.503 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.007 1.944 3.160 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.458 1.618 4.137 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.036 4.976 3.176 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -9.464 5.394 2.453 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.106 3.741 2.294 1.00 0.00 H new ATOM 1243 N SER B 56 -6.281 5.863 6.125 1.00 0.00 N ATOM 1244 CA SER B 56 -6.403 7.130 6.840 1.00 0.00 C ATOM 1245 C SER B 56 -7.040 8.190 5.968 1.00 0.00 C ATOM 1246 O SER B 56 -6.499 8.541 4.905 1.00 0.00 O ATOM 1247 CB SER B 56 -5.056 7.637 7.327 1.00 0.00 C ATOM 1248 OG SER B 56 -4.768 7.170 8.630 1.00 0.00 O ATOM 0 H SER B 56 -5.376 5.711 5.679 1.00 0.00 H new ATOM 0 HA SER B 56 -7.039 6.937 7.704 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.274 7.311 6.641 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.052 8.727 7.321 1.00 0.00 H new ATOM 0 HG SER B 56 -4.664 6.196 8.613 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.164 8.743 6.459 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.943 9.770 5.761 1.00 0.00 C ATOM 1256 C PRO B 57 -8.214 11.104 5.689 1.00 0.00 C ATOM 1257 O PRO B 57 -7.161 11.287 6.310 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.175 9.938 6.646 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.707 9.553 8.002 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.743 8.427 7.779 1.00 0.00 C ATOM 0 HA PRO B 57 -9.150 9.478 4.731 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.541 10.965 6.628 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.995 9.302 6.312 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.224 10.391 8.505 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.540 9.240 8.632 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.980 8.389 8.556 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.245 7.460 7.778 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.776 12.037 4.943 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.198 13.360 4.837 1.00 0.00 C ATOM 1270 C GLU B 58 -8.566 14.164 6.080 1.00 0.00 C ATOM 1271 O GLU B 58 -9.738 14.439 6.341 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.660 14.083 3.558 1.00 0.00 C ATOM 1273 CG GLU B 58 -10.080 13.754 3.117 1.00 0.00 C ATOM 1274 CD GLU B 58 -10.177 12.411 2.420 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -9.773 12.312 1.243 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -10.624 11.444 3.064 1.00 0.00 O ATOM 0 H GLU B 58 -9.631 11.902 4.403 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.114 13.265 4.771 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.584 15.159 3.718 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.975 13.832 2.748 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.736 13.756 3.987 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.438 14.534 2.446 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.552 14.514 6.852 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.751 15.267 8.075 1.00 0.00 C ATOM 1285 C GLY B 59 -6.434 15.779 8.596 1.00 0.00 C ATOM 1286 O GLY B 59 -6.332 16.901 9.086 1.00 0.00 O ATOM 0 H GLY B 59 -6.578 14.287 6.651 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.426 16.103 7.889 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.225 14.635 8.826 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.420 14.931 8.499 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.078 15.297 8.907 1.00 0.00 C ATOM 1292 C LYS B 60 -3.424 16.040 7.750 1.00 0.00 C ATOM 1293 O LYS B 60 -4.061 16.270 6.723 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.257 14.048 9.263 1.00 0.00 C ATOM 1295 CG LYS B 60 -3.703 13.344 10.540 1.00 0.00 C ATOM 1296 CD LYS B 60 -2.906 13.804 11.756 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.549 12.632 12.663 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.074 13.075 14.005 1.00 0.00 N ATOM 0 H LYS B 60 -5.506 13.981 8.139 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.120 15.929 9.794 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.314 13.342 8.434 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.210 14.334 9.367 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.763 13.535 10.708 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.589 12.267 10.419 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -1.994 14.303 11.428 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.486 14.537 12.317 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.422 11.990 12.783 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.775 12.031 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.844 12.242 14.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.225 13.666 13.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.821 13.627 14.473 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.158 16.391 7.888 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.454 17.088 6.819 1.00 0.00 C ATOM 1314 C ALA B 61 -0.964 16.091 5.772 1.00 0.00 C ATOM 1315 O ALA B 61 -0.087 16.395 4.966 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.290 17.890 7.386 1.00 0.00 C ATOM 0 H ALA B 61 -1.598 16.208 8.721 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.144 17.781 6.338 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.226 18.405 6.576 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.666 18.623 8.100 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.405 17.217 7.889 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.555 14.898 5.796 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.189 13.828 4.885 1.00 0.00 C ATOM 1324 C LYS B 62 -2.282 12.757 4.839 1.00 0.00 C ATOM 1325 O LYS B 62 -3.087 12.637 5.766 1.00 0.00 O ATOM 1326 CB LYS B 62 0.142 13.207 5.328 1.00 0.00 C ATOM 1327 CG LYS B 62 0.375 13.269 6.833 1.00 0.00 C ATOM 1328 CD LYS B 62 1.803 12.902 7.205 1.00 0.00 C ATOM 1329 CE LYS B 62 1.996 11.397 7.293 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.950 11.025 8.368 1.00 0.00 N ATOM 0 H LYS B 62 -2.299 14.651 6.448 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.078 14.243 3.883 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.172 12.166 5.007 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.959 13.720 4.821 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.154 14.274 7.193 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.316 12.591 7.335 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.488 13.313 6.464 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.057 13.357 8.162 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.035 10.918 7.478 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.361 11.021 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.055 9.991 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 3.875 11.462 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.590 11.362 9.284 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.307 12.003 3.746 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.275 10.923 3.546 1.00 0.00 C ATOM 1346 C ILE B 63 -2.532 9.591 3.636 1.00 0.00 C ATOM 1347 O ILE B 63 -1.434 9.473 3.087 1.00 0.00 O ATOM 1348 CB ILE B 63 -3.970 11.060 2.166 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.908 12.272 2.153 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.734 9.797 1.797 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.258 13.541 1.643 1.00 0.00 C ATOM 0 H ILE B 63 -1.656 12.121 2.970 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.048 10.974 4.313 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.191 11.209 1.419 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.774 12.043 1.532 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.278 12.445 3.164 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.208 9.929 0.824 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.044 8.954 1.753 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.498 9.601 2.549 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.983 14.355 1.663 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.409 13.795 2.278 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.913 13.388 0.620 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.098 8.579 4.305 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.356 7.318 4.438 1.00 0.00 C ATOM 1365 C GLN B 64 -3.182 6.061 4.165 1.00 0.00 C ATOM 1366 O GLN B 64 -4.410 6.075 4.171 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.719 7.186 5.833 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.743 8.289 6.203 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.395 9.427 6.965 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -1.004 10.577 6.826 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.376 9.116 7.796 1.00 0.00 N ATOM 0 H GLN B 64 -4.019 8.601 4.743 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.590 7.378 3.665 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.515 7.161 6.578 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.200 6.229 5.889 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.060 7.868 6.807 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.286 8.682 5.295 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.678 8.146 7.888 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.830 9.846 8.345 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.448 4.976 3.935 1.00 0.00 N ATOM 1381 CA LEU B 65 -2.991 3.643 3.687 1.00 0.00 C ATOM 1382 C LEU B 65 -2.077 2.634 4.387 1.00 0.00 C ATOM 1383 O LEU B 65 -0.888 2.623 4.116 1.00 0.00 O ATOM 1384 CB LEU B 65 -2.989 3.352 2.200 1.00 0.00 C ATOM 1385 CG LEU B 65 -3.998 2.310 1.747 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.302 2.964 1.354 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.414 1.491 0.615 1.00 0.00 C ATOM 0 H LEU B 65 -1.428 5.000 3.915 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.013 3.578 4.060 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.183 4.281 1.663 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.992 3.019 1.912 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.216 1.636 2.575 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.010 2.200 1.033 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.712 3.502 2.209 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.127 3.663 0.536 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.141 0.745 0.293 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.172 2.147 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.508 0.991 0.957 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.590 1.783 5.264 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.702 0.864 5.975 1.00 0.00 C ATOM 1401 C GLN B 66 -2.181 -0.576 5.937 1.00 0.00 C ATOM 1402 O GLN B 66 -3.375 -0.852 5.856 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.494 1.306 7.429 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.494 0.726 8.410 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.029 0.835 9.848 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.277 -0.003 10.328 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.494 1.858 10.545 1.00 0.00 N ATOM 0 H GLN B 66 -3.580 1.706 5.498 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.749 0.903 5.447 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.490 1.021 7.742 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.546 2.394 7.476 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.447 1.243 8.300 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.670 -0.322 8.167 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -3.119 2.533 10.105 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.228 1.972 11.523 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.222 -1.483 5.993 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.505 -2.905 5.976 1.00 0.00 C ATOM 1418 C LEU B 67 -1.216 -3.526 7.337 1.00 0.00 C ATOM 1419 O LEU B 67 -0.206 -3.220 7.967 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.646 -3.601 4.922 1.00 0.00 C ATOM 1421 CG LEU B 67 -0.413 -2.804 3.645 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.924 -3.178 3.032 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -1.541 -3.038 2.654 1.00 0.00 C ATOM 0 H LEU B 67 -0.230 -1.255 6.051 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.560 -3.036 5.737 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.321 -3.839 5.364 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.118 -4.548 4.659 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.397 -1.743 3.895 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.080 -2.602 2.120 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.723 -2.959 3.740 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.931 -4.242 2.795 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.356 -2.460 1.749 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.592 -4.098 2.404 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.486 -2.724 3.098 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.120 -4.381 7.779 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.973 -5.096 9.040 1.00 0.00 C ATOM 1437 C VAL B 68 -1.609 -6.526 8.710 1.00 0.00 C ATOM 1438 O VAL B 68 -2.442 -7.278 8.219 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.267 -5.069 9.877 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -3.047 -5.719 11.236 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.771 -3.643 10.039 1.00 0.00 C ATOM 0 H VAL B 68 -2.979 -4.602 7.275 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.200 -4.613 9.637 1.00 0.00 H new ATOM 0 HB VAL B 68 -4.027 -5.643 9.346 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.974 -5.688 11.809 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.740 -6.756 11.098 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.269 -5.179 11.776 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.685 -3.645 10.633 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.012 -3.044 10.543 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.977 -3.216 9.057 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.371 -6.902 8.955 1.00 0.00 N ATOM 1452 CA LEU B 69 0.082 -8.238 8.612 1.00 0.00 C ATOM 1453 C LEU B 69 -0.335 -9.276 9.645 1.00 0.00 C ATOM 1454 O LEU B 69 -0.770 -8.941 10.748 1.00 0.00 O ATOM 1455 CB LEU B 69 1.592 -8.260 8.407 1.00 0.00 C ATOM 1456 CG LEU B 69 2.177 -7.018 7.731 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.677 -7.166 7.553 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.511 -6.760 6.389 1.00 0.00 C ATOM 0 H LEU B 69 0.337 -6.308 9.387 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.405 -8.507 7.675 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.072 -8.386 9.377 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.848 -9.134 7.809 1.00 0.00 H new ATOM 0 HG LEU B 69 1.983 -6.162 8.377 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.076 -6.274 7.071 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.148 -7.293 8.528 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.886 -8.038 6.933 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.946 -5.872 5.932 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.666 -7.618 5.735 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.442 -6.605 6.537 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.205 -10.542 9.261 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.575 -11.670 10.121 1.00 0.00 C ATOM 1472 C HIS B 70 0.280 -11.753 11.384 1.00 0.00 C ATOM 1473 O HIS B 70 -0.170 -12.278 12.401 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.455 -12.994 9.355 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.468 -13.166 8.265 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.804 -12.335 7.254 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.258 -14.283 8.111 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.788 -12.927 6.478 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -3.025 -14.091 7.029 1.00 0.00 N flip ATOM 0 H HIS B 70 0.158 -10.818 8.349 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.609 -11.498 10.422 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.543 -13.061 8.922 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.553 -13.819 10.060 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -2.259 -15.156 8.747 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.262 -12.514 5.600 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.706 -14.765 6.679 1.00 0.00 H new ATOM 1487 N ALA B 71 1.503 -11.244 11.323 1.00 0.00 N ATOM 1488 CA ALA B 71 2.401 -11.297 12.473 1.00 0.00 C ATOM 1489 C ALA B 71 2.140 -10.150 13.444 1.00 0.00 C ATOM 1490 O ALA B 71 2.597 -10.176 14.587 1.00 0.00 O ATOM 1491 CB ALA B 71 3.850 -11.295 12.014 1.00 0.00 C ATOM 0 H ALA B 71 1.896 -10.793 10.497 1.00 0.00 H new ATOM 0 HA ALA B 71 2.204 -12.227 13.007 1.00 0.00 H new ATOM 0 HB1 ALA B 71 4.507 -11.335 12.883 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.032 -12.163 11.381 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.051 -10.385 11.448 1.00 0.00 H new ATOM 1497 N GLY B 72 1.393 -9.153 12.992 1.00 0.00 N ATOM 1498 CA GLY B 72 1.086 -8.017 13.836 1.00 0.00 C ATOM 1499 C GLY B 72 1.781 -6.757 13.368 1.00 0.00 C ATOM 1500 O GLY B 72 1.551 -5.674 13.907 1.00 0.00 O ATOM 0 H GLY B 72 0.994 -9.111 12.054 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.008 -7.854 13.846 1.00 0.00 H new ATOM 0 HA3 GLY B 72 1.385 -8.236 14.861 1.00 0.00 H new ATOM 1504 N ASP B 73 2.635 -6.906 12.367 1.00 0.00 N ATOM 1505 CA ASP B 73 3.372 -5.783 11.803 1.00 0.00 C ATOM 1506 C ASP B 73 2.438 -4.915 10.973 1.00 0.00 C ATOM 1507 O ASP B 73 1.465 -5.406 10.395 1.00 0.00 O ATOM 1508 CB ASP B 73 4.541 -6.265 10.931 1.00 0.00 C ATOM 1509 CG ASP B 73 4.749 -7.771 10.969 1.00 0.00 C ATOM 1510 OD1 ASP B 73 3.813 -8.518 10.596 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.847 -8.208 11.365 1.00 0.00 O ATOM 0 H ASP B 73 2.837 -7.802 11.924 1.00 0.00 H new ATOM 0 HA ASP B 73 3.780 -5.199 12.628 1.00 0.00 H new ATOM 0 HB2 ASP B 73 4.366 -5.957 9.900 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.456 -5.772 11.260 1.00 0.00 H new ATOM 1516 N THR B 74 2.724 -3.625 10.920 1.00 0.00 N ATOM 1517 CA THR B 74 1.901 -2.698 10.166 1.00 0.00 C ATOM 1518 C THR B 74 2.762 -1.778 9.301 1.00 0.00 C ATOM 1519 O THR B 74 3.893 -1.442 9.659 1.00 0.00 O ATOM 1520 CB THR B 74 1.025 -1.852 11.110 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.813 -1.363 12.204 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.141 -2.670 11.651 1.00 0.00 C ATOM 0 H THR B 74 3.521 -3.197 11.391 1.00 0.00 H new ATOM 0 HA THR B 74 1.255 -3.287 9.515 1.00 0.00 H new ATOM 0 HB THR B 74 0.627 -1.012 10.540 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.249 -0.825 12.798 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.744 -2.050 12.315 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.757 -3.019 10.822 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.242 -3.528 12.204 1.00 0.00 H new ATOM 1530 N THR B 75 2.230 -1.392 8.152 1.00 0.00 N ATOM 1531 CA THR B 75 2.937 -0.513 7.231 1.00 0.00 C ATOM 1532 C THR B 75 2.021 0.615 6.763 1.00 0.00 C ATOM 1533 O THR B 75 1.169 0.399 5.903 1.00 0.00 O ATOM 1534 CB THR B 75 3.438 -1.298 6.003 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.727 -2.651 6.376 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.687 -0.654 5.417 1.00 0.00 C ATOM 0 H THR B 75 1.304 -1.676 7.832 1.00 0.00 H new ATOM 0 HA THR B 75 3.792 -0.092 7.760 1.00 0.00 H new ATOM 0 HB THR B 75 2.654 -1.285 5.246 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.390 -3.026 5.759 1.00 0.00 H new ATOM 0 HG21 THR B 75 5.020 -1.227 4.552 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.460 0.367 5.110 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.476 -0.640 6.169 1.00 0.00 H new ATOM 1544 N ASN B 76 2.185 1.814 7.326 1.00 0.00 N ATOM 1545 CA ASN B 76 1.348 2.946 6.943 1.00 0.00 C ATOM 1546 C ASN B 76 2.019 3.714 5.803 1.00 0.00 C ATOM 1547 O ASN B 76 3.116 4.250 5.962 1.00 0.00 O ATOM 1548 CB ASN B 76 1.051 3.908 8.130 1.00 0.00 C ATOM 1549 CG ASN B 76 1.022 3.252 9.515 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.873 2.426 9.849 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.054 3.644 10.345 1.00 0.00 N ATOM 0 H ASN B 76 2.882 2.022 8.041 1.00 0.00 H new ATOM 0 HA ASN B 76 0.389 2.544 6.616 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.805 4.695 8.135 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.089 4.389 7.954 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.003 3.258 11.288 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.635 4.330 10.037 1.00 0.00 H new ATOM 1558 N PHE B 77 1.354 3.724 4.653 1.00 0.00 N ATOM 1559 CA PHE B 77 1.840 4.398 3.451 1.00 0.00 C ATOM 1560 C PHE B 77 1.259 5.802 3.353 1.00 0.00 C ATOM 1561 O PHE B 77 0.045 5.979 3.396 1.00 0.00 O ATOM 1562 CB PHE B 77 1.466 3.598 2.202 1.00 0.00 C ATOM 1563 CG PHE B 77 2.337 2.394 1.978 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.691 2.542 1.726 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.802 1.116 2.016 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.496 1.440 1.517 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.603 0.011 1.807 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.951 0.172 1.557 1.00 0.00 C ATOM 0 H PHE B 77 0.454 3.261 4.526 1.00 0.00 H new ATOM 0 HA PHE B 77 2.926 4.468 3.517 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.428 3.275 2.284 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.529 4.250 1.330 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.122 3.532 1.693 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.748 0.983 2.211 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.550 1.570 1.323 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.175 -0.980 1.839 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.578 -0.692 1.393 1.00 0.00 H new ATOM 1578 N HIS B 78 2.127 6.784 3.218 1.00 0.00 N ATOM 1579 CA HIS B 78 1.726 8.179 3.135 1.00 0.00 C ATOM 1580 C HIS B 78 1.798 8.700 1.694 1.00 0.00 C ATOM 1581 O HIS B 78 2.879 8.848 1.138 1.00 0.00 O ATOM 1582 CB HIS B 78 2.657 8.968 4.074 1.00 0.00 C ATOM 1583 CG HIS B 78 2.748 10.457 3.863 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.758 11.227 4.398 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.965 11.315 3.158 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.566 12.493 4.009 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.492 12.600 3.255 1.00 0.00 N ATOM 0 H HIS B 78 3.135 6.639 3.162 1.00 0.00 H new ATOM 0 HA HIS B 78 0.687 8.299 3.440 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.331 8.792 5.099 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.660 8.552 3.982 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.075 11.043 2.610 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.208 13.319 4.278 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.122 13.450 2.829 1.00 0.00 H new ATOM 1595 N PHE B 79 0.651 8.984 1.086 1.00 0.00 N ATOM 1596 CA PHE B 79 0.647 9.524 -0.272 1.00 0.00 C ATOM 1597 C PHE B 79 0.958 11.015 -0.199 1.00 0.00 C ATOM 1598 O PHE B 79 0.143 11.799 0.285 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.698 9.324 -0.988 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.180 7.905 -1.090 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.812 7.109 -2.164 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.036 7.383 -0.137 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.284 5.815 -2.278 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.516 6.094 -0.249 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.139 5.308 -1.321 1.00 0.00 C ATOM 0 H PHE B 79 -0.272 8.853 1.500 1.00 0.00 H new ATOM 0 HA PHE B 79 1.400 8.986 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.456 9.909 -0.467 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.616 9.733 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.149 7.504 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.332 7.991 0.705 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.984 5.202 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.186 5.700 0.501 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.513 4.299 -1.410 1.00 0.00 H new ATOM 1615 N SER B 80 2.130 11.410 -0.674 1.00 0.00 N ATOM 1616 CA SER B 80 2.533 12.810 -0.622 1.00 0.00 C ATOM 1617 C SER B 80 2.323 13.513 -1.958 1.00 0.00 C ATOM 1618 O SER B 80 3.052 14.443 -2.299 1.00 0.00 O ATOM 1619 CB SER B 80 3.994 12.925 -0.199 1.00 0.00 C ATOM 1620 OG SER B 80 4.818 12.043 -0.946 1.00 0.00 O ATOM 0 H SER B 80 2.816 10.786 -1.098 1.00 0.00 H new ATOM 0 HA SER B 80 1.901 13.303 0.116 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.336 13.951 -0.338 1.00 0.00 H new ATOM 0 HB3 SER B 80 4.086 12.700 0.864 1.00 0.00 H new ATOM 0 HG SER B 80 4.305 11.671 -1.694 1.00 0.00 H new ATOM 1626 N ASN B 81 1.338 13.066 -2.716 1.00 0.00 N ATOM 1627 CA ASN B 81 1.049 13.691 -3.996 1.00 0.00 C ATOM 1628 C ASN B 81 -0.307 14.357 -3.914 1.00 0.00 C ATOM 1629 O ASN B 81 -1.339 13.695 -3.891 1.00 0.00 O ATOM 1630 CB ASN B 81 1.099 12.681 -5.139 1.00 0.00 C ATOM 1631 CG ASN B 81 1.074 13.341 -6.514 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.710 12.710 -7.503 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.458 14.609 -6.591 1.00 0.00 N ATOM 0 H ASN B 81 0.731 12.283 -2.473 1.00 0.00 H new ATOM 0 HA ASN B 81 1.812 14.439 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.003 12.079 -5.046 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.253 12.000 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.457 15.089 -7.491 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.755 15.104 -5.750 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.283 15.670 -3.876 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.491 16.484 -3.740 1.00 0.00 C ATOM 1642 C GLU B 82 -2.581 16.148 -4.769 1.00 0.00 C ATOM 1643 O GLU B 82 -3.770 16.212 -4.455 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.126 17.978 -3.813 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.685 18.480 -5.191 1.00 0.00 C ATOM 1646 CD GLU B 82 0.405 17.634 -5.826 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.411 17.341 -5.145 1.00 0.00 O ATOM 1648 OE2 GLU B 82 0.233 17.227 -6.991 1.00 0.00 O ATOM 0 H GLU B 82 0.576 16.216 -3.938 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.916 16.249 -2.764 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.989 18.561 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.325 18.174 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -1.550 18.501 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.329 19.506 -5.098 1.00 0.00 H new ATOM 1655 N SER B 83 -2.187 15.775 -5.975 1.00 0.00 N ATOM 1656 CA SER B 83 -3.148 15.482 -7.030 1.00 0.00 C ATOM 1657 C SER B 83 -3.623 14.021 -7.063 1.00 0.00 C ATOM 1658 O SER B 83 -4.600 13.713 -7.748 1.00 0.00 O ATOM 1659 CB SER B 83 -2.536 15.858 -8.378 1.00 0.00 C ATOM 1660 OG SER B 83 -1.154 15.538 -8.414 1.00 0.00 O ATOM 0 H SER B 83 -1.211 15.667 -6.250 1.00 0.00 H new ATOM 0 HA SER B 83 -4.036 16.077 -6.817 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.056 15.331 -9.178 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.671 16.924 -8.558 1.00 0.00 H new ATOM 0 HG SER B 83 -0.633 16.300 -8.085 1.00 0.00 H new ATOM 1666 N THR B 84 -2.975 13.120 -6.328 1.00 0.00 N ATOM 1667 CA THR B 84 -3.370 11.711 -6.385 1.00 0.00 C ATOM 1668 C THR B 84 -3.557 11.053 -5.014 1.00 0.00 C ATOM 1669 O THR B 84 -4.204 10.018 -4.917 1.00 0.00 O ATOM 1670 CB THR B 84 -2.333 10.891 -7.178 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.049 11.007 -6.563 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.249 11.350 -8.627 1.00 0.00 C ATOM 0 H THR B 84 -2.197 13.329 -5.703 1.00 0.00 H new ATOM 0 HA THR B 84 -4.341 11.710 -6.881 1.00 0.00 H new ATOM 0 HB THR B 84 -2.654 9.849 -7.170 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.434 11.463 -7.174 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.508 10.750 -9.156 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.222 11.229 -9.104 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.957 12.400 -8.660 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.027 11.668 -3.967 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.090 11.118 -2.606 1.00 0.00 C ATOM 1682 C ALA B 85 -4.455 10.534 -2.264 1.00 0.00 C ATOM 1683 O ALA B 85 -4.565 9.398 -1.804 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.720 12.193 -1.593 1.00 0.00 C ATOM 0 H ALA B 85 -2.540 12.562 -4.029 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.373 10.298 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.769 11.777 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.708 12.546 -1.791 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.418 13.026 -1.676 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.480 11.317 -2.512 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.853 10.925 -2.224 1.00 0.00 C ATOM 1692 C VAL B 86 -7.351 9.789 -3.131 1.00 0.00 C ATOM 1693 O VAL B 86 -7.781 8.734 -2.651 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.784 12.143 -2.382 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.247 11.747 -2.232 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.416 13.227 -1.381 1.00 0.00 C ATOM 0 H VAL B 86 -5.391 12.248 -2.920 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.870 10.556 -1.198 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.650 12.538 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.877 12.629 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.505 11.013 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.408 11.315 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.083 14.080 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.514 12.836 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.387 13.544 -1.550 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.245 9.995 -4.440 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.743 9.026 -5.414 1.00 0.00 C ATOM 1708 C LYS B 87 -6.986 7.710 -5.355 1.00 0.00 C ATOM 1709 O LYS B 87 -7.588 6.638 -5.391 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.652 9.582 -6.839 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.381 11.076 -6.927 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.454 11.571 -8.366 1.00 0.00 C ATOM 1713 CE LYS B 87 -6.180 11.271 -9.155 1.00 0.00 C ATOM 1714 NZ LYS B 87 -5.987 9.815 -9.419 1.00 0.00 N ATOM 0 H LYS B 87 -6.818 10.825 -4.852 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.785 8.841 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.861 9.052 -7.370 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.586 9.366 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.107 11.615 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.395 11.293 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.304 11.105 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.634 12.646 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.213 11.806 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.320 11.652 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.657 9.680 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.280 9.433 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.890 9.316 -9.287 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.674 7.797 -5.248 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.835 6.617 -5.230 1.00 0.00 C ATOM 1730 C GLU B 88 -5.050 5.827 -3.952 1.00 0.00 C ATOM 1731 O GLU B 88 -4.963 4.602 -3.952 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.372 7.014 -5.400 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.974 7.329 -6.844 1.00 0.00 C ATOM 1734 CD GLU B 88 -4.107 7.892 -7.695 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -4.515 9.048 -7.469 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -4.595 7.189 -8.600 1.00 0.00 O ATOM 0 H GLU B 88 -5.165 8.678 -5.172 1.00 0.00 H new ATOM 0 HA GLU B 88 -5.112 5.973 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -3.169 7.887 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.742 6.206 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.151 8.044 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.600 6.419 -7.313 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.345 6.531 -2.864 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.604 5.875 -1.592 1.00 0.00 C ATOM 1745 C ARG B 89 -6.751 4.897 -1.747 1.00 0.00 C ATOM 1746 O ARG B 89 -6.616 3.707 -1.464 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.958 6.904 -0.514 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.627 6.296 0.710 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.500 7.307 1.436 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.720 7.635 0.698 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.284 8.843 0.692 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.739 9.834 1.383 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.393 9.062 -0.002 1.00 0.00 N ATOM 0 H ARG B 89 -5.410 7.549 -2.839 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.702 5.344 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.049 7.420 -0.203 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.620 7.656 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.234 5.443 0.407 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.864 5.918 1.391 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.768 6.911 2.416 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.927 8.219 1.606 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.166 6.895 0.156 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.887 9.673 1.920 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.172 10.758 1.378 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.819 8.304 -0.535 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.820 9.988 -0.003 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.868 5.411 -2.229 1.00 0.00 N ATOM 1768 CA ASP B 90 -9.062 4.605 -2.419 1.00 0.00 C ATOM 1769 C ASP B 90 -8.852 3.543 -3.485 1.00 0.00 C ATOM 1770 O ASP B 90 -9.312 2.414 -3.343 1.00 0.00 O ATOM 1771 CB ASP B 90 -10.242 5.499 -2.788 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.744 6.282 -1.594 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.440 5.879 -0.452 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.411 7.316 -1.788 1.00 0.00 O ATOM 0 H ASP B 90 -7.974 6.389 -2.498 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.277 4.095 -1.480 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.943 6.189 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -11.051 4.888 -3.189 1.00 0.00 H new ATOM 1779 N ALA B 91 -8.117 3.899 -4.527 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.851 2.980 -5.636 1.00 0.00 C ATOM 1781 C ALA B 91 -7.064 1.757 -5.169 1.00 0.00 C ATOM 1782 O ALA B 91 -7.365 0.622 -5.544 1.00 0.00 O ATOM 1783 CB ALA B 91 -7.100 3.695 -6.750 1.00 0.00 C ATOM 0 H ALA B 91 -7.690 4.819 -4.633 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.811 2.636 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.910 2.998 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.699 4.528 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -6.152 4.071 -6.366 1.00 0.00 H new ATOM 1789 N VAL B 92 -6.068 1.999 -4.335 1.00 0.00 N ATOM 1790 CA VAL B 92 -5.232 0.930 -3.805 1.00 0.00 C ATOM 1791 C VAL B 92 -6.030 0.134 -2.790 1.00 0.00 C ATOM 1792 O VAL B 92 -6.014 -1.093 -2.794 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.937 1.461 -3.147 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -3.124 0.318 -2.560 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -3.097 2.237 -4.148 1.00 0.00 C ATOM 0 H VAL B 92 -5.815 2.931 -4.007 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.932 0.298 -4.641 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.226 2.136 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.217 0.714 -2.102 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.716 -0.199 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.855 -0.381 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -2.192 2.600 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.825 1.585 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.670 3.084 -4.525 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.745 0.860 -1.938 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.599 0.266 -0.917 1.00 0.00 C ATOM 1807 C LYS B 93 -8.568 -0.718 -1.565 1.00 0.00 C ATOM 1808 O LYS B 93 -8.782 -1.832 -1.079 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.373 1.385 -0.218 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.614 0.929 0.517 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.649 2.041 0.579 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.649 1.936 -0.558 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.384 0.642 -0.533 1.00 0.00 N ATOM 0 H LYS B 93 -6.748 1.880 -1.936 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.993 -0.273 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.709 1.881 0.490 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.660 2.129 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.039 0.059 0.016 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.349 0.617 1.527 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.175 1.997 1.533 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.148 3.008 0.536 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.361 2.759 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.128 2.039 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.467 0.271 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.866 -0.040 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.334 0.790 -0.137 1.00 0.00 H new ATOM 1827 N ASP B 94 -9.131 -0.279 -2.676 1.00 0.00 N ATOM 1828 CA ASP B 94 -10.068 -1.061 -3.455 1.00 0.00 C ATOM 1829 C ASP B 94 -9.419 -2.321 -3.994 1.00 0.00 C ATOM 1830 O ASP B 94 -9.962 -3.418 -3.859 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.614 -0.204 -4.594 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.889 0.516 -4.209 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -12.432 0.223 -3.118 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.352 1.367 -4.990 1.00 0.00 O ATOM 0 H ASP B 94 -8.946 0.645 -3.067 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.890 -1.371 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.861 0.527 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.803 -0.835 -5.462 1.00 0.00 H new ATOM 1839 N LEU B 95 -8.253 -2.166 -4.601 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.531 -3.305 -5.143 1.00 0.00 C ATOM 1841 C LEU B 95 -7.139 -4.259 -4.026 1.00 0.00 C ATOM 1842 O LEU B 95 -7.264 -5.472 -4.166 1.00 0.00 O ATOM 1843 CB LEU B 95 -6.292 -2.849 -5.919 1.00 0.00 C ATOM 1844 CG LEU B 95 -6.427 -2.896 -7.446 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.529 -1.961 -7.919 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -5.107 -2.537 -8.111 1.00 0.00 C ATOM 0 H LEU B 95 -7.789 -1.267 -4.730 1.00 0.00 H new ATOM 0 HA LEU B 95 -8.189 -3.829 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.052 -1.828 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.448 -3.473 -5.625 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.694 -3.914 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.607 -2.011 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.477 -2.261 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.294 -0.940 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.223 -2.576 -9.194 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.812 -1.531 -7.814 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.339 -3.247 -7.803 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.712 -3.705 -2.903 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.294 -4.507 -1.766 1.00 0.00 C ATOM 1860 C LEU B 96 -7.435 -5.344 -1.207 1.00 0.00 C ATOM 1861 O LEU B 96 -7.279 -6.547 -1.006 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.705 -3.627 -0.679 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.374 -3.006 -1.065 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.836 -2.139 0.059 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.378 -4.084 -1.451 1.00 0.00 C ATOM 0 H LEU B 96 -6.646 -2.698 -2.755 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.527 -5.194 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.413 -2.833 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.573 -4.219 0.227 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.531 -2.364 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.882 -1.705 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.546 -1.341 0.274 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.693 -2.748 0.952 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.430 -3.622 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.224 -4.756 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.764 -4.649 -2.299 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.588 -4.716 -0.980 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.744 -5.426 -0.438 1.00 0.00 C ATOM 1879 C GLN B 97 -10.225 -6.495 -1.417 1.00 0.00 C ATOM 1880 O GLN B 97 -10.863 -7.466 -1.025 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.886 -4.455 -0.104 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.681 -3.990 -1.314 1.00 0.00 C ATOM 1883 CD GLN B 97 -13.072 -3.500 -0.957 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -14.022 -3.710 -1.706 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -13.202 -2.827 0.176 1.00 0.00 N ATOM 0 H GLN B 97 -8.745 -3.725 -1.162 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.433 -5.913 0.486 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.565 -4.938 0.599 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.471 -3.583 0.401 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.137 -3.189 -1.813 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.763 -4.812 -2.026 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.390 -2.672 0.773 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.114 -2.464 0.452 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.915 -6.305 -2.691 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.302 -7.261 -3.720 1.00 0.00 C ATOM 1896 C GLN B 98 -9.268 -8.378 -3.859 1.00 0.00 C ATOM 1897 O GLN B 98 -9.588 -9.498 -4.267 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.464 -6.549 -5.058 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.846 -5.951 -5.269 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.902 -5.022 -6.464 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -12.172 -5.447 -7.586 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.641 -3.745 -6.232 1.00 0.00 N ATOM 0 H GLN B 98 -9.397 -5.498 -3.038 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.251 -7.707 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.720 -5.756 -5.130 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.256 -7.255 -5.862 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.569 -6.755 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.142 -5.404 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.421 -3.433 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.660 -3.073 -6.999 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.025 -8.066 -3.534 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.933 -9.025 -3.642 1.00 0.00 C ATOM 1913 C LEU B 99 -6.767 -9.885 -2.392 1.00 0.00 C ATOM 1914 O LEU B 99 -6.806 -11.112 -2.482 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.620 -8.296 -3.941 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.530 -7.697 -5.345 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.511 -6.569 -5.381 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.173 -8.770 -6.363 1.00 0.00 C ATOM 0 H LEU B 99 -7.743 -7.148 -3.190 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.188 -9.696 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.488 -7.498 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.793 -8.993 -3.804 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.506 -7.287 -5.605 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.461 -6.156 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.809 -5.787 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.531 -6.954 -5.098 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.114 -8.324 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.210 -9.210 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.939 -9.545 -6.359 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.618 -9.227 -1.245 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.379 -9.885 0.048 1.00 0.00 C ATOM 1932 C LEU B 100 -7.183 -11.173 0.290 1.00 0.00 C ATOM 1933 O LEU B 100 -6.581 -12.218 0.512 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.601 -8.899 1.192 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.487 -7.872 1.350 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -5.850 -6.840 2.405 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.181 -8.565 1.701 1.00 0.00 C ATOM 0 H LEU B 100 -6.659 -8.210 -1.181 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.338 -10.205 0.014 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.543 -8.376 1.029 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.703 -9.456 2.123 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.359 -7.351 0.401 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.040 -6.117 2.501 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.764 -6.324 2.110 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.007 -7.338 3.362 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.392 -7.821 1.811 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -4.299 -9.110 2.637 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.914 -9.262 0.906 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.532 -11.140 0.242 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.365 -12.331 0.494 1.00 0.00 C ATOM 1951 C PRO B 101 -8.964 -13.553 -0.331 1.00 0.00 C ATOM 1952 O PRO B 101 -9.113 -14.687 0.113 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.781 -11.882 0.097 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.603 -10.592 -0.628 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.368 -9.969 -0.051 1.00 0.00 C ATOM 0 HA PRO B 101 -9.265 -12.652 1.531 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.264 -12.625 -0.537 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.413 -11.754 0.976 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.494 -10.757 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.469 -9.944 -0.492 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.886 -9.292 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.586 -9.391 0.847 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.444 -13.319 -1.526 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.055 -14.410 -2.410 1.00 0.00 C ATOM 1965 C LYS B 102 -6.622 -14.879 -2.161 1.00 0.00 C ATOM 1966 O LYS B 102 -6.169 -15.836 -2.788 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.211 -13.988 -3.873 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.496 -13.223 -4.156 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.720 -13.013 -5.649 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.501 -12.410 -6.335 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.012 -11.189 -5.639 1.00 0.00 N ATOM 0 H LYS B 102 -8.281 -12.387 -1.906 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.719 -15.247 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.360 -13.368 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.182 -14.877 -4.503 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.342 -13.767 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.459 -12.255 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.962 -13.968 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.579 -12.358 -5.797 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.702 -13.151 -6.370 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.752 -12.163 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.743 -10.472 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.766 -10.811 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.185 -11.429 -5.056 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.897 -14.215 -1.266 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.515 -14.607 -1.004 1.00 0.00 C ATOM 1987 C PHE B 103 -4.228 -14.845 0.472 1.00 0.00 C ATOM 1988 O PHE B 103 -3.239 -15.499 0.782 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.529 -13.566 -1.539 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.601 -13.365 -3.026 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.031 -14.286 -3.889 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.235 -12.258 -3.561 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.094 -14.108 -5.257 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -4.302 -12.073 -4.929 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.732 -13.000 -5.779 1.00 0.00 C ATOM 0 H PHE B 103 -6.232 -13.421 -0.721 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.379 -15.552 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.718 -12.613 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.516 -13.868 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.531 -15.155 -3.487 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.683 -11.529 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.645 -14.835 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.800 -11.204 -5.333 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.785 -12.859 -6.848 1.00 0.00 H new