USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 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 93 LYS NZ :NH3+ -151:sc= 0.303 (180deg=-0.53) USER MOD Set 1.2: A 97 GLN : amide:sc= -27.2! C(o=-27!,f=-36!) USER MOD Set 2.1: A 66 GLN : amide:sc= -2.2 K(o=-13,f=-14!) USER MOD Set 2.2: A 76 ASN : amide:sc= -10.3! C(o=-13!,f=-19!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0795) USER MOD Single : A 17 GLN :FLIP amide:sc= -14.8! C(o=-17!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.409 K(o=-0.41,f=-5.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -151:sc= -6.6! (180deg=-9.68!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00442 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -11.4! C(o=-16!,f=-11!) USER MOD Single : A 46 MET CE :methyl -144:sc= -0.224 (180deg=-1.14) USER MOD Single : A 47 TYR OH : rot -54:sc= -9.13! USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= -0.257 (180deg=-0.818) USER MOD Single : A 52 CYS SG : rot 62:sc= -2.35! USER MOD Single : A 53 GLN : amide:sc= -6.04! C(o=-6!,f=-8.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.169 F(o=-0.71,f=-0.17) USER MOD Single : A 70 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-4.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 172:sc= -0.598 USER MOD Single : A 78 HIS : no HE2:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc=-0.00307 (180deg=-0.302) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -7.677 -7.698 -7.497 1.00 0.00 N ATOM 97 CA VAL A 8 -6.505 -7.062 -6.933 1.00 0.00 C ATOM 98 C VAL A 8 -5.780 -6.256 -8.012 1.00 0.00 C ATOM 99 O VAL A 8 -5.909 -6.503 -9.194 1.00 0.00 O ATOM 100 CB VAL A 8 -5.566 -8.144 -6.338 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.346 -9.440 -6.089 1.00 0.00 C ATOM 102 CG2 VAL A 8 -4.405 -8.453 -7.297 1.00 0.00 C ATOM 0 HA VAL A 8 -6.807 -6.380 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.168 -7.757 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.677 -10.193 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.158 -9.247 -5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.758 -9.803 -7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.762 -9.214 -6.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.803 -8.818 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.826 -7.546 -7.472 1.00 0.00 H new ATOM 112 N LEU A 9 -5.055 -5.262 -7.593 1.00 0.00 N ATOM 113 CA LEU A 9 -4.368 -4.406 -8.540 1.00 0.00 C ATOM 114 C LEU A 9 -2.886 -4.800 -8.685 1.00 0.00 C ATOM 115 O LEU A 9 -2.411 -4.959 -9.792 1.00 0.00 O ATOM 116 CB LEU A 9 -4.471 -2.956 -8.058 1.00 0.00 C ATOM 117 CG LEU A 9 -3.604 -2.046 -8.930 1.00 0.00 C ATOM 118 CD1 LEU A 9 -4.397 -1.614 -10.165 1.00 0.00 C ATOM 119 CD2 LEU A 9 -3.210 -0.810 -8.121 1.00 0.00 C ATOM 0 H LEU A 9 -4.919 -5.017 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.839 -4.518 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.509 -2.626 -8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.152 -2.887 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.709 -2.582 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.779 -0.966 -10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.688 -2.495 -10.737 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.290 -1.073 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.591 -0.155 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.108 -0.276 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.649 -1.117 -7.238 1.00 0.00 H new ATOM 131 N LEU A 10 -2.128 -4.957 -7.624 1.00 0.00 N ATOM 132 CA LEU A 10 -0.738 -5.319 -7.834 1.00 0.00 C ATOM 133 C LEU A 10 -0.149 -5.967 -6.585 1.00 0.00 C ATOM 134 O LEU A 10 -0.728 -5.939 -5.517 1.00 0.00 O ATOM 135 CB LEU A 10 0.065 -4.066 -8.179 1.00 0.00 C ATOM 136 CG LEU A 10 1.041 -4.379 -9.313 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.511 -3.788 -10.621 1.00 0.00 C ATOM 138 CD2 LEU A 10 2.406 -3.764 -8.994 1.00 0.00 C ATOM 0 H LEU A 10 -2.425 -4.848 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.687 -6.036 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.607 -3.261 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.610 -3.718 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 10 1.142 -5.459 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.207 -4.011 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.462 -4.223 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.410 -2.708 -10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.103 -3.986 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.303 -2.684 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.785 -4.183 -8.062 1.00 0.00 H new ATOM 150 N ILE A 11 1.010 -6.548 -6.722 1.00 0.00 N ATOM 151 CA ILE A 11 1.657 -7.190 -5.596 1.00 0.00 C ATOM 152 C ILE A 11 3.125 -6.769 -5.582 1.00 0.00 C ATOM 153 O ILE A 11 3.778 -6.727 -6.605 1.00 0.00 O ATOM 154 CB ILE A 11 1.552 -8.719 -5.748 1.00 0.00 C ATOM 155 CG1 ILE A 11 2.719 -9.424 -5.022 1.00 0.00 C ATOM 156 CG2 ILE A 11 1.579 -9.085 -7.233 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.994 -9.385 -5.876 1.00 0.00 C ATOM 0 H ILE A 11 1.531 -6.594 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 11 1.177 -6.895 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 11 0.615 -9.050 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.903 -8.939 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.449 -10.459 -4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.505 -10.167 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.739 -8.610 -7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.513 -8.739 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.803 -9.887 -5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.813 -9.891 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.273 -8.349 -6.066 1.00 0.00 H new ATOM 169 N VAL A 12 3.650 -6.456 -4.438 1.00 0.00 N ATOM 170 CA VAL A 12 5.034 -6.055 -4.382 1.00 0.00 C ATOM 171 C VAL A 12 5.788 -6.958 -3.402 1.00 0.00 C ATOM 172 O VAL A 12 5.796 -6.752 -2.205 1.00 0.00 O ATOM 173 CB VAL A 12 5.164 -4.586 -3.959 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.425 -3.729 -5.199 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.879 -4.100 -3.279 1.00 0.00 C ATOM 0 H VAL A 12 3.159 -6.467 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 12 5.468 -6.157 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 12 5.990 -4.498 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.518 -2.683 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.348 -4.055 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.595 -3.837 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.994 -3.056 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.043 -4.193 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.685 -4.705 -2.393 1.00 0.00 H new ATOM 185 N LYS A 13 6.428 -7.952 -3.939 1.00 0.00 N ATOM 186 CA LYS A 13 7.202 -8.897 -3.150 1.00 0.00 C ATOM 187 C LYS A 13 8.265 -8.170 -2.343 1.00 0.00 C ATOM 188 O LYS A 13 8.800 -8.676 -1.377 1.00 0.00 O ATOM 189 CB LYS A 13 7.868 -9.879 -4.109 1.00 0.00 C ATOM 190 CG LYS A 13 9.147 -9.272 -4.707 1.00 0.00 C ATOM 191 CD LYS A 13 9.112 -9.408 -6.230 1.00 0.00 C ATOM 192 CE LYS A 13 9.234 -10.883 -6.618 1.00 0.00 C ATOM 193 NZ LYS A 13 10.671 -11.231 -6.798 1.00 0.00 N ATOM 0 H LYS A 13 6.436 -8.142 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 13 6.547 -9.423 -2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.110 -10.802 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.175 -10.140 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.229 -8.222 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.025 -9.779 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.182 -8.995 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.926 -8.836 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.790 -11.511 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.684 -11.075 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.755 -12.233 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.080 -10.640 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.183 -11.063 -5.908 1.00 0.00 H new ATOM 207 N LYS A 14 8.564 -6.990 -2.743 1.00 0.00 N ATOM 208 CA LYS A 14 9.562 -6.223 -2.036 1.00 0.00 C ATOM 209 C LYS A 14 8.923 -4.990 -1.390 1.00 0.00 C ATOM 210 O LYS A 14 8.529 -4.067 -2.071 1.00 0.00 O ATOM 211 CB LYS A 14 10.651 -5.768 -3.012 1.00 0.00 C ATOM 212 CG LYS A 14 12.014 -5.829 -2.320 1.00 0.00 C ATOM 213 CD LYS A 14 12.364 -7.286 -2.008 1.00 0.00 C ATOM 214 CE LYS A 14 13.861 -7.509 -2.230 1.00 0.00 C ATOM 215 NZ LYS A 14 14.139 -7.583 -3.691 1.00 0.00 N ATOM 0 H LYS A 14 8.145 -6.523 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 14 9.999 -6.851 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.651 -6.405 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.449 -4.752 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.779 -5.389 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.993 -5.244 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.099 -7.522 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.787 -7.955 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.431 -6.696 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.179 -8.430 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.051 -8.058 -3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.383 -8.121 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.178 -6.622 -4.086 1.00 0.00 H new ATOM 229 N VAL A 15 8.920 -4.920 -0.080 1.00 0.00 N ATOM 230 CA VAL A 15 8.430 -3.713 0.537 1.00 0.00 C ATOM 231 C VAL A 15 9.136 -3.498 1.864 1.00 0.00 C ATOM 232 O VAL A 15 9.512 -4.425 2.554 1.00 0.00 O ATOM 233 CB VAL A 15 6.906 -3.713 0.652 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.443 -2.668 1.666 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.352 -3.339 -0.714 1.00 0.00 C ATOM 0 H VAL A 15 9.237 -5.651 0.556 1.00 0.00 H new ATOM 0 HA VAL A 15 8.665 -2.861 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 15 6.558 -4.693 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.355 -2.683 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.870 -2.894 2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.773 -1.680 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.263 -3.328 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.715 -2.351 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.681 -4.070 -1.453 1.00 0.00 H new ATOM 245 N ARG A 16 9.337 -2.265 2.198 1.00 0.00 N ATOM 246 CA ARG A 16 10.022 -1.921 3.414 1.00 0.00 C ATOM 247 C ARG A 16 9.112 -1.065 4.254 1.00 0.00 C ATOM 248 O ARG A 16 8.556 -0.094 3.798 1.00 0.00 O ATOM 249 CB ARG A 16 11.275 -1.110 3.059 1.00 0.00 C ATOM 250 CG ARG A 16 11.815 -0.390 4.302 1.00 0.00 C ATOM 251 CD ARG A 16 13.265 -0.811 4.579 1.00 0.00 C ATOM 252 NE ARG A 16 13.479 -2.188 4.173 1.00 0.00 N ATOM 253 CZ ARG A 16 14.694 -2.632 3.982 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.721 -1.854 4.199 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.884 -3.858 3.576 1.00 0.00 N ATOM 0 H ARG A 16 9.034 -1.465 1.642 1.00 0.00 H new ATOM 0 HA ARG A 16 10.300 -2.823 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.041 -1.771 2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.037 -0.382 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.765 0.689 4.155 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.191 -0.624 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.950 -0.156 4.040 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.486 -0.700 5.641 1.00 0.00 H new ATOM 0 HE ARG A 16 12.682 -2.809 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.577 -0.896 4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.667 -2.204 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.085 -4.469 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.832 -4.205 3.427 1.00 0.00 H new ATOM 269 N GLN A 17 8.980 -1.398 5.484 1.00 0.00 N ATOM 270 CA GLN A 17 8.161 -0.603 6.337 1.00 0.00 C ATOM 271 C GLN A 17 8.929 -0.437 7.643 1.00 0.00 C ATOM 272 O GLN A 17 9.544 -1.369 8.121 1.00 0.00 O ATOM 273 CB GLN A 17 6.800 -1.285 6.528 1.00 0.00 C ATOM 274 CG GLN A 17 6.981 -2.762 6.851 1.00 0.00 C ATOM 275 CD GLN A 17 5.627 -3.381 7.219 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.556 -2.631 7.263 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.542 -4.564 7.469 1.00 0.00 N flip ATOM 0 H GLN A 17 9.421 -2.205 5.925 1.00 0.00 H new ATOM 0 HA GLN A 17 7.950 0.380 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.252 -0.796 7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.202 -1.176 5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.408 -3.282 5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.682 -2.880 7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.374 -5.153 7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.639 -4.970 7.712 1.00 0.00 H new ATOM 286 N LYS A 18 9.007 0.771 8.140 1.00 0.00 N ATOM 287 CA LYS A 18 9.832 1.046 9.312 1.00 0.00 C ATOM 288 C LYS A 18 9.794 -0.120 10.303 1.00 0.00 C ATOM 289 O LYS A 18 10.723 -0.312 11.063 1.00 0.00 O ATOM 290 CB LYS A 18 9.321 2.311 10.003 1.00 0.00 C ATOM 291 CG LYS A 18 10.423 3.372 10.005 1.00 0.00 C ATOM 292 CD LYS A 18 9.823 4.730 10.373 1.00 0.00 C ATOM 293 CE LYS A 18 10.903 5.611 11.004 1.00 0.00 C ATOM 294 NZ LYS A 18 11.431 6.558 9.983 1.00 0.00 N ATOM 0 H LYS A 18 8.517 1.582 7.762 1.00 0.00 H new ATOM 0 HA LYS A 18 10.862 1.183 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.439 2.689 9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.019 2.083 11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.202 3.101 10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.894 3.424 9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.418 5.213 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.995 4.597 11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.490 6.163 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.711 4.992 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.165 7.157 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.840 6.022 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.657 7.157 9.632 1.00 0.00 H new ATOM 308 N LYS A 19 8.776 -0.925 10.292 1.00 0.00 N ATOM 309 CA LYS A 19 8.766 -2.049 11.194 1.00 0.00 C ATOM 310 C LYS A 19 9.639 -3.184 10.621 1.00 0.00 C ATOM 311 O LYS A 19 10.470 -3.760 11.295 1.00 0.00 O ATOM 312 CB LYS A 19 7.313 -2.560 11.379 1.00 0.00 C ATOM 313 CG LYS A 19 6.737 -3.147 10.063 1.00 0.00 C ATOM 314 CD LYS A 19 5.256 -3.487 10.245 1.00 0.00 C ATOM 315 CE LYS A 19 4.463 -2.204 10.495 1.00 0.00 C ATOM 316 NZ LYS A 19 3.552 -2.402 11.658 1.00 0.00 N ATOM 0 H LYS A 19 7.959 -0.835 9.688 1.00 0.00 H new ATOM 0 HA LYS A 19 9.165 -1.736 12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.292 -3.323 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.680 -1.740 11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.857 -2.429 9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.292 -4.042 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.877 -3.994 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.130 -4.173 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.144 -1.375 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.886 -1.942 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.012 -1.530 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.895 -3.182 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.113 -2.633 12.503 1.00 0.00 H new ATOM 330 N GLN A 20 9.358 -3.560 9.411 1.00 0.00 N ATOM 331 CA GLN A 20 10.011 -4.682 8.788 1.00 0.00 C ATOM 332 C GLN A 20 10.061 -4.506 7.281 1.00 0.00 C ATOM 333 O GLN A 20 9.368 -3.687 6.713 1.00 0.00 O ATOM 334 CB GLN A 20 9.244 -5.961 9.102 1.00 0.00 C ATOM 335 CG GLN A 20 10.214 -7.010 9.636 1.00 0.00 C ATOM 336 CD GLN A 20 10.102 -8.284 8.797 1.00 0.00 C ATOM 337 OE1 GLN A 20 9.314 -8.350 7.874 1.00 0.00 O ATOM 338 NE2 GLN A 20 10.862 -9.306 9.080 1.00 0.00 N ATOM 0 H GLN A 20 8.666 -3.098 8.821 1.00 0.00 H new ATOM 0 HA GLN A 20 11.027 -4.744 9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.465 -5.761 9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.747 -6.331 8.205 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.234 -6.628 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.991 -7.229 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.523 -9.251 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.795 -10.160 8.527 1.00 0.00 H new ATOM 347 N ASP A 21 10.818 -5.326 6.623 1.00 0.00 N ATOM 348 CA ASP A 21 10.842 -5.270 5.189 1.00 0.00 C ATOM 349 C ASP A 21 10.048 -6.518 4.850 1.00 0.00 C ATOM 350 O ASP A 21 10.253 -7.578 5.408 1.00 0.00 O ATOM 351 CB ASP A 21 12.276 -5.361 4.650 1.00 0.00 C ATOM 352 CG ASP A 21 13.208 -4.551 5.554 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.768 -3.537 6.070 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.346 -4.960 5.715 1.00 0.00 O ATOM 0 H ASP A 21 11.420 -6.033 7.044 1.00 0.00 H new ATOM 0 HA ASP A 21 10.447 -4.348 4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.598 -6.402 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.318 -4.980 3.630 1.00 0.00 H new ATOM 359 N GLY A 22 9.085 -6.373 3.995 1.00 0.00 N ATOM 360 CA GLY A 22 8.222 -7.483 3.680 1.00 0.00 C ATOM 361 C GLY A 22 7.488 -7.221 2.379 1.00 0.00 C ATOM 362 O GLY A 22 7.532 -6.126 1.851 1.00 0.00 O ATOM 0 H GLY A 22 8.872 -5.506 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.809 -8.398 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.505 -7.636 4.486 1.00 0.00 H new ATOM 366 N ALA A 23 6.883 -8.221 1.809 1.00 0.00 N ATOM 367 CA ALA A 23 6.210 -8.022 0.554 1.00 0.00 C ATOM 368 C ALA A 23 4.788 -7.495 0.781 1.00 0.00 C ATOM 369 O ALA A 23 4.053 -7.924 1.644 1.00 0.00 O ATOM 370 CB ALA A 23 6.136 -9.351 -0.198 1.00 0.00 C ATOM 0 H ALA A 23 6.840 -9.169 2.183 1.00 0.00 H new ATOM 0 HA ALA A 23 6.769 -7.290 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.626 -9.203 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.144 -9.722 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.585 -10.077 0.400 1.00 0.00 H new ATOM 376 N LEU A 24 4.479 -6.494 0.024 1.00 0.00 N ATOM 377 CA LEU A 24 3.205 -5.811 0.165 1.00 0.00 C ATOM 378 C LEU A 24 2.303 -6.149 -1.025 1.00 0.00 C ATOM 379 O LEU A 24 2.698 -6.081 -2.166 1.00 0.00 O ATOM 380 CB LEU A 24 3.461 -4.303 0.182 1.00 0.00 C ATOM 381 CG LEU A 24 3.051 -3.687 1.511 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.994 -2.169 1.337 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.676 -4.196 1.931 1.00 0.00 C ATOM 0 H LEU A 24 5.084 -6.119 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 24 2.718 -6.126 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.518 -4.110 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.906 -3.829 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 24 3.773 -3.961 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.701 -1.706 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.976 -1.800 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.264 -1.918 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.397 -3.746 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.941 -3.926 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.706 -5.280 2.037 1.00 0.00 H new ATOM 395 N TYR A 25 1.078 -6.505 -0.742 1.00 0.00 N ATOM 396 CA TYR A 25 0.121 -6.841 -1.780 1.00 0.00 C ATOM 397 C TYR A 25 -0.938 -5.752 -1.789 1.00 0.00 C ATOM 398 O TYR A 25 -1.391 -5.340 -0.740 1.00 0.00 O ATOM 399 CB TYR A 25 -0.579 -8.151 -1.413 1.00 0.00 C ATOM 400 CG TYR A 25 0.144 -9.332 -1.996 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.197 -9.793 -3.268 1.00 0.00 C ATOM 402 CD2 TYR A 25 1.136 -9.979 -1.254 1.00 0.00 C ATOM 403 CE1 TYR A 25 0.458 -10.906 -3.805 1.00 0.00 C ATOM 404 CE2 TYR A 25 1.791 -11.093 -1.786 1.00 0.00 C ATOM 405 CZ TYR A 25 1.453 -11.559 -3.063 1.00 0.00 C ATOM 406 OH TYR A 25 2.098 -12.659 -3.590 1.00 0.00 O ATOM 0 H TYR A 25 0.710 -6.572 0.207 1.00 0.00 H new ATOM 0 HA TYR A 25 0.623 -6.935 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.628 -8.250 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.606 -8.133 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.966 -9.291 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.396 -9.618 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.198 -11.262 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.557 -11.594 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 25 2.759 -12.990 -2.947 1.00 0.00 H new ATOM 416 N LEU A 26 -1.369 -5.263 -2.916 1.00 0.00 N ATOM 417 CA LEU A 26 -2.380 -4.235 -2.878 1.00 0.00 C ATOM 418 C LEU A 26 -3.588 -4.707 -3.686 1.00 0.00 C ATOM 419 O LEU A 26 -3.450 -5.263 -4.766 1.00 0.00 O ATOM 420 CB LEU A 26 -1.818 -2.951 -3.493 1.00 0.00 C ATOM 421 CG LEU A 26 -2.957 -1.976 -3.804 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.494 -1.385 -2.501 1.00 0.00 C ATOM 423 CD2 LEU A 26 -2.426 -0.850 -4.690 1.00 0.00 C ATOM 0 H LEU A 26 -1.053 -5.544 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.679 -4.038 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.110 -2.488 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.269 -3.185 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.759 -2.504 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.305 -0.691 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.867 -2.187 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.694 -0.855 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.233 -0.153 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.626 -0.324 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.040 -1.269 -5.619 1.00 0.00 H new ATOM 435 N MET A 27 -4.767 -4.441 -3.196 1.00 0.00 N ATOM 436 CA MET A 27 -5.963 -4.809 -3.911 1.00 0.00 C ATOM 437 C MET A 27 -6.907 -3.611 -3.833 1.00 0.00 C ATOM 438 O MET A 27 -6.849 -2.839 -2.895 1.00 0.00 O ATOM 439 CB MET A 27 -6.590 -6.055 -3.278 1.00 0.00 C ATOM 440 CG MET A 27 -8.076 -6.140 -3.649 1.00 0.00 C ATOM 441 SD MET A 27 -8.824 -7.611 -2.895 1.00 0.00 S ATOM 442 CE MET A 27 -7.416 -8.732 -3.081 1.00 0.00 C ATOM 0 H MET A 27 -4.928 -3.971 -2.305 1.00 0.00 H new ATOM 0 HA MET A 27 -5.749 -5.054 -4.951 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.069 -6.949 -3.621 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.479 -6.018 -2.194 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.595 -5.244 -3.309 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.186 -6.181 -4.733 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.776 -9.756 -3.174 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.852 -8.463 -3.974 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.770 -8.653 -2.207 1.00 0.00 H new ATOM 452 N ALA A 28 -7.729 -3.419 -4.825 1.00 0.00 N ATOM 453 CA ALA A 28 -8.605 -2.259 -4.833 1.00 0.00 C ATOM 454 C ALA A 28 -9.127 -1.939 -3.426 1.00 0.00 C ATOM 455 O ALA A 28 -9.017 -0.824 -2.955 1.00 0.00 O ATOM 456 CB ALA A 28 -9.794 -2.555 -5.752 1.00 0.00 C ATOM 0 H ALA A 28 -7.819 -4.035 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.039 -1.397 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.463 -1.694 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.433 -2.756 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.333 -3.426 -5.380 1.00 0.00 H new ATOM 462 N GLU A 29 -9.795 -2.863 -2.809 1.00 0.00 N ATOM 463 CA GLU A 29 -10.419 -2.554 -1.535 1.00 0.00 C ATOM 464 C GLU A 29 -9.494 -2.745 -0.327 1.00 0.00 C ATOM 465 O GLU A 29 -9.870 -2.385 0.768 1.00 0.00 O ATOM 466 CB GLU A 29 -11.655 -3.439 -1.374 1.00 0.00 C ATOM 467 CG GLU A 29 -12.167 -3.387 0.071 1.00 0.00 C ATOM 468 CD GLU A 29 -13.684 -3.580 0.080 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.295 -3.365 -0.954 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.210 -3.940 1.121 1.00 0.00 O ATOM 0 H GLU A 29 -9.928 -3.817 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.678 -1.495 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.438 -3.108 -2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.411 -4.467 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.687 -4.164 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.908 -2.431 0.526 1.00 0.00 H new ATOM 477 N ARG A 30 -8.310 -3.276 -0.449 1.00 0.00 N ATOM 478 CA ARG A 30 -7.513 -3.395 0.768 1.00 0.00 C ATOM 479 C ARG A 30 -6.022 -3.579 0.475 1.00 0.00 C ATOM 480 O ARG A 30 -5.602 -3.865 -0.628 1.00 0.00 O ATOM 481 CB ARG A 30 -8.022 -4.558 1.638 1.00 0.00 C ATOM 482 CG ARG A 30 -7.250 -5.842 1.340 1.00 0.00 C ATOM 483 CD ARG A 30 -7.408 -6.180 -0.126 1.00 0.00 C ATOM 484 NE ARG A 30 -8.815 -6.153 -0.480 1.00 0.00 N ATOM 485 CZ ARG A 30 -9.687 -6.898 0.147 1.00 0.00 C ATOM 486 NH1 ARG A 30 -9.287 -7.847 0.951 1.00 0.00 N ATOM 487 NH2 ARG A 30 -10.962 -6.742 -0.081 1.00 0.00 N ATOM 0 H ARG A 30 -7.885 -3.617 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.628 -2.457 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.916 -4.302 2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.084 -4.717 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.196 -5.714 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.624 -6.659 1.958 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.855 -5.466 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.990 -7.166 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.130 -5.541 -1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.290 -8.009 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.972 -8.425 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.278 -6.039 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.642 -7.323 0.408 1.00 0.00 H new ATOM 501 N ILE A 31 -5.231 -3.399 1.494 1.00 0.00 N ATOM 502 CA ILE A 31 -3.794 -3.543 1.360 1.00 0.00 C ATOM 503 C ILE A 31 -3.350 -4.780 2.154 1.00 0.00 C ATOM 504 O ILE A 31 -3.771 -4.985 3.273 1.00 0.00 O ATOM 505 CB ILE A 31 -3.114 -2.269 1.895 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.929 -1.282 0.737 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.748 -2.597 2.513 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.747 -1.715 -0.135 1.00 0.00 C ATOM 0 H ILE A 31 -5.549 -3.152 2.431 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.510 -3.675 0.316 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.743 -1.830 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.838 -1.238 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.756 -0.279 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.287 -1.681 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.881 -3.297 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.105 -3.046 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.622 -1.009 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.839 -1.736 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.938 -2.710 -0.538 1.00 0.00 H new ATOM 520 N ALA A 32 -2.520 -5.616 1.582 1.00 0.00 N ATOM 521 CA ALA A 32 -2.096 -6.811 2.293 1.00 0.00 C ATOM 522 C ALA A 32 -0.580 -6.839 2.473 1.00 0.00 C ATOM 523 O ALA A 32 0.169 -6.330 1.664 1.00 0.00 O ATOM 524 CB ALA A 32 -2.538 -8.050 1.512 1.00 0.00 C ATOM 0 H ALA A 32 -2.128 -5.502 0.647 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.558 -6.804 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.221 -8.947 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.624 -8.050 1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.085 -8.036 0.521 1.00 0.00 H new ATOM 530 N TRP A 33 -0.130 -7.444 3.541 1.00 0.00 N ATOM 531 CA TRP A 33 1.298 -7.512 3.769 1.00 0.00 C ATOM 532 C TRP A 33 1.749 -8.944 3.995 1.00 0.00 C ATOM 533 O TRP A 33 1.080 -9.741 4.618 1.00 0.00 O ATOM 534 CB TRP A 33 1.700 -6.690 4.979 1.00 0.00 C ATOM 535 CG TRP A 33 3.183 -6.626 5.029 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.975 -6.368 3.967 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.080 -6.840 6.160 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.282 -6.322 4.402 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.402 -6.631 5.719 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.885 -7.172 7.509 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.493 -6.738 6.563 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.987 -7.298 8.371 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.291 -7.077 7.898 1.00 0.00 C ATOM 0 H TRP A 33 -0.710 -7.888 4.253 1.00 0.00 H new ATOM 0 HA TRP A 33 1.778 -7.111 2.876 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.279 -5.687 4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.309 -7.141 5.891 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.642 -6.222 2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.071 -6.083 3.802 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.885 -7.331 7.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.491 -6.560 6.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.830 -7.567 9.405 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.134 -7.170 8.567 1.00 0.00 H new ATOM 554 N ALA A 34 2.903 -9.252 3.496 1.00 0.00 N ATOM 555 CA ALA A 34 3.451 -10.577 3.664 1.00 0.00 C ATOM 556 C ALA A 34 4.978 -10.518 3.644 1.00 0.00 C ATOM 557 O ALA A 34 5.575 -10.305 2.608 1.00 0.00 O ATOM 558 CB ALA A 34 2.943 -11.478 2.556 1.00 0.00 C ATOM 0 H ALA A 34 3.492 -8.609 2.967 1.00 0.00 H new ATOM 0 HA ALA A 34 3.133 -10.981 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.356 -12.479 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.855 -11.527 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.252 -11.077 1.591 1.00 0.00 H new ATOM 564 N PRO A 35 5.563 -10.715 4.794 1.00 0.00 N ATOM 565 CA PRO A 35 7.039 -10.678 4.850 1.00 0.00 C ATOM 566 C PRO A 35 7.616 -11.679 3.848 1.00 0.00 C ATOM 567 O PRO A 35 7.225 -12.828 3.813 1.00 0.00 O ATOM 568 CB PRO A 35 7.413 -11.084 6.280 1.00 0.00 C ATOM 569 CG PRO A 35 6.105 -11.422 7.025 1.00 0.00 C ATOM 570 CD PRO A 35 4.943 -11.178 6.054 1.00 0.00 C ATOM 0 HA PRO A 35 7.433 -9.693 4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.082 -11.944 6.271 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.942 -10.274 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.112 -12.459 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.999 -10.800 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.368 -12.090 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.254 -10.431 6.448 1.00 0.00 H new ATOM 678 N THR A 42 0.237 -11.829 5.489 1.00 0.00 N ATOM 679 CA THR A 42 0.407 -11.421 6.873 1.00 0.00 C ATOM 680 C THR A 42 -0.549 -10.259 7.224 1.00 0.00 C ATOM 681 O THR A 42 -0.792 -9.981 8.381 1.00 0.00 O ATOM 682 CB THR A 42 1.879 -10.989 7.085 1.00 0.00 C ATOM 683 OG1 THR A 42 2.366 -11.564 8.288 1.00 0.00 O ATOM 684 CG2 THR A 42 2.016 -9.460 7.167 1.00 0.00 C ATOM 0 HA THR A 42 0.167 -12.258 7.529 1.00 0.00 H new ATOM 0 HB THR A 42 2.459 -11.337 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.298 -11.295 8.425 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.063 -9.196 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.657 -9.012 6.240 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.425 -9.086 8.003 1.00 0.00 H new ATOM 692 N ILE A 43 -1.060 -9.559 6.244 1.00 0.00 N ATOM 693 CA ILE A 43 -1.928 -8.436 6.570 1.00 0.00 C ATOM 694 C ILE A 43 -2.966 -8.174 5.488 1.00 0.00 C ATOM 695 O ILE A 43 -2.810 -8.549 4.344 1.00 0.00 O ATOM 696 CB ILE A 43 -1.056 -7.182 6.764 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.227 -6.653 8.187 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.425 -6.055 5.767 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.710 -5.216 8.243 1.00 0.00 C ATOM 0 H ILE A 43 -0.905 -9.728 5.250 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.471 -8.679 7.483 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.022 -7.474 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.276 -6.688 8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.679 -7.279 8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.784 -5.191 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.284 -6.411 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.467 -5.769 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.827 -4.827 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.344 -5.198 7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.278 -4.598 7.548 1.00 0.00 H new ATOM 711 N SER A 44 -4.002 -7.476 5.870 1.00 0.00 N ATOM 712 CA SER A 44 -5.036 -7.113 4.935 1.00 0.00 C ATOM 713 C SER A 44 -5.941 -6.048 5.572 1.00 0.00 C ATOM 714 O SER A 44 -6.803 -6.354 6.371 1.00 0.00 O ATOM 715 CB SER A 44 -5.862 -8.347 4.571 1.00 0.00 C ATOM 716 OG SER A 44 -7.189 -7.948 4.251 1.00 0.00 O ATOM 0 H SER A 44 -4.153 -7.146 6.823 1.00 0.00 H new ATOM 0 HA SER A 44 -4.584 -6.711 4.028 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.411 -8.863 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.872 -9.050 5.404 1.00 0.00 H new ATOM 0 HG SER A 44 -7.720 -8.737 4.016 1.00 0.00 H new ATOM 722 N HIS A 45 -5.765 -4.799 5.211 1.00 0.00 N ATOM 723 CA HIS A 45 -6.614 -3.758 5.775 1.00 0.00 C ATOM 724 C HIS A 45 -7.543 -3.234 4.681 1.00 0.00 C ATOM 725 O HIS A 45 -7.102 -2.719 3.671 1.00 0.00 O ATOM 726 CB HIS A 45 -5.801 -2.576 6.324 1.00 0.00 C ATOM 727 CG HIS A 45 -4.319 -2.791 6.172 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.529 -2.973 5.070 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.454 -2.767 7.255 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.195 -3.057 5.452 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.206 -2.926 6.779 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.062 -4.476 4.546 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.172 -4.199 6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.090 -1.664 5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.040 -2.430 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.731 -2.643 8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.336 -3.198 4.813 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.369 -2.944 7.362 1.00 0.00 H new ATOM 739 N MET A 46 -8.825 -3.360 4.879 1.00 0.00 N ATOM 740 CA MET A 46 -9.766 -2.891 3.881 1.00 0.00 C ATOM 741 C MET A 46 -9.760 -1.362 3.819 1.00 0.00 C ATOM 742 O MET A 46 -10.027 -0.689 4.785 1.00 0.00 O ATOM 743 CB MET A 46 -11.171 -3.383 4.225 1.00 0.00 C ATOM 744 CG MET A 46 -11.654 -4.348 3.141 1.00 0.00 C ATOM 745 SD MET A 46 -12.641 -5.663 3.899 1.00 0.00 S ATOM 746 CE MET A 46 -11.290 -6.486 4.778 1.00 0.00 C ATOM 0 H MET A 46 -9.246 -3.777 5.709 1.00 0.00 H new ATOM 0 HA MET A 46 -9.469 -3.285 2.909 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.166 -3.881 5.194 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.854 -2.538 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.249 -3.812 2.401 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.801 -4.776 2.614 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.456 -7.563 4.773 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.345 -6.262 4.284 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.255 -6.129 5.807 1.00 0.00 H new ATOM 756 N TYR A 47 -9.411 -0.825 2.687 1.00 0.00 N ATOM 757 CA TYR A 47 -9.355 0.618 2.539 1.00 0.00 C ATOM 758 C TYR A 47 -10.571 1.275 3.251 1.00 0.00 C ATOM 759 O TYR A 47 -10.405 2.216 3.994 1.00 0.00 O ATOM 760 CB TYR A 47 -9.281 0.969 1.036 1.00 0.00 C ATOM 761 CG TYR A 47 -7.831 0.834 0.544 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.777 0.589 1.455 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.525 0.984 -0.824 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.458 0.498 0.998 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.204 0.901 -1.263 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.172 0.659 -0.357 1.00 0.00 C ATOM 767 OH TYR A 47 -3.869 0.584 -0.800 1.00 0.00 O ATOM 0 H TYR A 47 -9.160 -1.352 1.851 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.460 1.017 3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.932 0.307 0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.638 1.986 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.991 0.472 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.317 1.164 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.658 0.302 1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.979 1.025 -2.312 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.314 1.213 -0.293 1.00 0.00 H new ATOM 777 N ALA A 48 -11.776 0.774 3.087 1.00 0.00 N ATOM 778 CA ALA A 48 -12.916 1.369 3.803 1.00 0.00 C ATOM 779 C ALA A 48 -12.761 1.063 5.306 1.00 0.00 C ATOM 780 O ALA A 48 -13.072 1.857 6.172 1.00 0.00 O ATOM 781 CB ALA A 48 -14.222 0.761 3.286 1.00 0.00 C ATOM 0 H ALA A 48 -12.003 -0.019 2.487 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.939 2.447 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -15.065 1.203 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.320 0.962 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.213 -0.316 3.452 1.00 0.00 H new ATOM 787 N ASP A 49 -12.224 -0.090 5.574 1.00 0.00 N ATOM 788 CA ASP A 49 -11.940 -0.554 6.930 1.00 0.00 C ATOM 789 C ASP A 49 -10.817 0.299 7.546 1.00 0.00 C ATOM 790 O ASP A 49 -10.471 0.156 8.702 1.00 0.00 O ATOM 791 CB ASP A 49 -11.508 -2.019 6.898 1.00 0.00 C ATOM 792 CG ASP A 49 -12.718 -2.898 6.569 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.448 -2.549 5.656 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.893 -3.905 7.235 1.00 0.00 O ATOM 0 H ASP A 49 -11.960 -0.760 4.852 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.842 -0.458 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.726 -2.163 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.087 -2.307 7.861 1.00 0.00 H new ATOM 799 N ILE A 50 -10.269 1.197 6.776 1.00 0.00 N ATOM 800 CA ILE A 50 -9.222 2.053 7.284 1.00 0.00 C ATOM 801 C ILE A 50 -9.464 3.481 6.774 1.00 0.00 C ATOM 802 O ILE A 50 -9.726 3.664 5.605 1.00 0.00 O ATOM 803 CB ILE A 50 -7.883 1.542 6.761 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.879 1.607 5.234 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.686 0.091 7.197 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.532 1.112 4.705 1.00 0.00 C ATOM 0 H ILE A 50 -10.524 1.358 5.802 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.217 2.050 8.374 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.078 2.159 7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.687 0.996 4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.058 2.630 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.729 -0.274 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.696 0.034 8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.491 -0.523 6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.529 1.158 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.733 1.742 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.372 0.082 5.025 1.00 0.00 H new ATOM 818 N LYS A 51 -9.363 4.517 7.584 1.00 0.00 N ATOM 819 CA LYS A 51 -9.581 5.818 6.989 1.00 0.00 C ATOM 820 C LYS A 51 -8.559 6.845 7.452 1.00 0.00 C ATOM 821 O LYS A 51 -8.651 7.431 8.513 1.00 0.00 O ATOM 822 CB LYS A 51 -10.954 6.348 7.356 1.00 0.00 C ATOM 823 CG LYS A 51 -11.118 7.706 6.673 1.00 0.00 C ATOM 824 CD LYS A 51 -10.719 7.591 5.198 1.00 0.00 C ATOM 825 CE LYS A 51 -11.064 8.891 4.469 1.00 0.00 C ATOM 826 NZ LYS A 51 -10.946 10.040 5.411 1.00 0.00 N ATOM 0 H LYS A 51 -9.148 4.494 8.581 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.488 5.677 5.912 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.732 5.658 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.050 6.448 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.151 8.043 6.755 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.498 8.452 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.651 7.388 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.240 6.753 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.394 9.033 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.077 8.838 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.945 10.931 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.751 10.033 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.059 9.959 5.948 1.00 0.00 H new ATOM 840 N CYS A 52 -7.635 7.101 6.595 1.00 0.00 N ATOM 841 CA CYS A 52 -6.628 8.100 6.812 1.00 0.00 C ATOM 842 C CYS A 52 -5.641 7.948 5.678 1.00 0.00 C ATOM 843 O CYS A 52 -5.306 6.837 5.330 1.00 0.00 O ATOM 844 CB CYS A 52 -5.945 7.873 8.129 1.00 0.00 C ATOM 845 SG CYS A 52 -6.555 9.072 9.343 1.00 0.00 S ATOM 0 H CYS A 52 -7.549 6.616 5.702 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.057 9.102 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.134 6.858 8.478 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.866 7.974 8.013 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.831 8.898 9.522 1.00 0.00 H new ATOM 851 N GLN A 53 -5.184 8.988 5.073 1.00 0.00 N ATOM 852 CA GLN A 53 -4.278 8.761 3.969 1.00 0.00 C ATOM 853 C GLN A 53 -3.185 9.812 3.921 1.00 0.00 C ATOM 854 O GLN A 53 -3.417 11.000 3.811 1.00 0.00 O ATOM 855 CB GLN A 53 -5.066 8.791 2.661 1.00 0.00 C ATOM 856 CG GLN A 53 -5.956 7.550 2.577 1.00 0.00 C ATOM 857 CD GLN A 53 -7.377 7.909 3.014 1.00 0.00 C ATOM 858 OE1 GLN A 53 -7.662 9.050 3.315 1.00 0.00 O ATOM 859 NE2 GLN A 53 -8.287 6.974 3.060 1.00 0.00 N ATOM 0 H GLN A 53 -5.398 9.960 5.296 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.806 7.788 4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.675 9.693 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.383 8.820 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.964 7.164 1.558 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.557 6.760 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.047 6.016 2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.238 7.202 3.349 1.00 0.00 H new ATOM 868 N LYS A 54 -1.978 9.333 4.008 1.00 0.00 N ATOM 869 CA LYS A 54 -0.820 10.185 3.979 1.00 0.00 C ATOM 870 C LYS A 54 0.097 9.696 2.859 1.00 0.00 C ATOM 871 O LYS A 54 0.652 8.618 2.936 1.00 0.00 O ATOM 872 CB LYS A 54 -0.096 10.041 5.319 1.00 0.00 C ATOM 873 CG LYS A 54 -0.044 11.386 6.036 1.00 0.00 C ATOM 874 CD LYS A 54 0.968 12.301 5.344 1.00 0.00 C ATOM 875 CE LYS A 54 2.359 11.669 5.412 1.00 0.00 C ATOM 876 NZ LYS A 54 3.393 12.741 5.399 1.00 0.00 N ATOM 0 H LYS A 54 -1.766 8.340 4.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.097 11.226 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.610 9.308 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.915 9.668 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.030 11.850 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.236 11.242 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.680 12.459 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.978 13.279 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.454 11.069 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.506 10.997 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.339 12.311 5.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.307 13.296 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.256 13.365 6.219 1.00 0.00 H new ATOM 988 N LYS A 62 11.617 7.836 -1.677 1.00 0.00 N ATOM 989 CA LYS A 62 11.564 6.763 -2.649 1.00 0.00 C ATOM 990 C LYS A 62 10.230 6.038 -2.633 1.00 0.00 C ATOM 991 O LYS A 62 10.223 4.886 -2.932 1.00 0.00 O ATOM 992 CB LYS A 62 12.662 5.720 -2.390 1.00 0.00 C ATOM 993 CG LYS A 62 13.261 5.925 -0.993 1.00 0.00 C ATOM 994 CD LYS A 62 14.206 4.769 -0.665 1.00 0.00 C ATOM 995 CE LYS A 62 15.473 5.315 -0.004 1.00 0.00 C ATOM 996 NZ LYS A 62 15.376 5.145 1.473 1.00 0.00 N ATOM 0 HA LYS A 62 11.709 7.238 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.248 4.715 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.443 5.806 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.800 6.871 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.466 5.980 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.713 4.060 0.000 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.463 4.226 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.349 4.790 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.600 6.369 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.237 5.516 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.548 5.665 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.275 4.135 1.700 1.00 0.00 H new ATOM 1010 N ILE A 63 9.123 6.703 -2.339 1.00 0.00 N ATOM 1011 CA ILE A 63 7.769 6.104 -2.338 1.00 0.00 C ATOM 1012 C ILE A 63 7.327 5.577 -0.944 1.00 0.00 C ATOM 1013 O ILE A 63 7.355 4.410 -0.623 1.00 0.00 O ATOM 1014 CB ILE A 63 7.484 5.107 -3.494 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.426 3.643 -3.023 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.497 5.242 -4.643 1.00 0.00 C ATOM 1017 CD1 ILE A 63 8.701 3.250 -2.301 1.00 0.00 C ATOM 0 H ILE A 63 9.125 7.692 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 63 7.115 6.948 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 63 6.496 5.379 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.572 3.505 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.273 2.988 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.256 4.524 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.453 6.252 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.501 5.045 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.632 2.211 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.551 3.366 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.838 3.891 -1.430 1.00 0.00 H new ATOM 1029 N GLN A 64 6.885 6.490 -0.120 1.00 0.00 N ATOM 1030 CA GLN A 64 6.420 6.135 1.214 1.00 0.00 C ATOM 1031 C GLN A 64 4.944 6.536 1.360 1.00 0.00 C ATOM 1032 O GLN A 64 4.543 7.604 0.949 1.00 0.00 O ATOM 1033 CB GLN A 64 7.267 6.861 2.266 1.00 0.00 C ATOM 1034 CG GLN A 64 6.807 8.313 2.393 1.00 0.00 C ATOM 1035 CD GLN A 64 7.966 9.172 2.903 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.148 9.035 2.367 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 7.794 9.975 3.798 1.00 0.00 N flip ATOM 0 H GLN A 64 6.833 7.485 -0.339 1.00 0.00 H new ATOM 0 HA GLN A 64 6.518 5.060 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.178 6.357 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.320 6.827 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.464 8.683 1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.962 8.379 3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.870 10.082 4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.573 10.542 4.131 1.00 0.00 H new ATOM 1046 N LEU A 65 4.130 5.698 1.944 1.00 0.00 N ATOM 1047 CA LEU A 65 2.726 6.056 2.087 1.00 0.00 C ATOM 1048 C LEU A 65 2.248 5.799 3.520 1.00 0.00 C ATOM 1049 O LEU A 65 2.885 5.097 4.285 1.00 0.00 O ATOM 1050 CB LEU A 65 1.869 5.277 1.059 1.00 0.00 C ATOM 1051 CG LEU A 65 1.791 3.765 1.361 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.187 3.161 1.431 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.059 3.497 2.682 1.00 0.00 C ATOM 0 H LEU A 65 4.393 4.788 2.321 1.00 0.00 H new ATOM 0 HA LEU A 65 2.611 7.121 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.861 5.692 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.286 5.422 0.062 1.00 0.00 H new ATOM 0 HG LEU A 65 1.232 3.300 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.112 2.095 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.694 3.305 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.756 3.650 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.021 2.423 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.591 3.986 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.044 3.891 2.622 1.00 0.00 H new ATOM 1065 N GLN A 66 1.128 6.373 3.887 1.00 0.00 N ATOM 1066 CA GLN A 66 0.614 6.186 5.234 1.00 0.00 C ATOM 1067 C GLN A 66 -0.922 6.195 5.228 1.00 0.00 C ATOM 1068 O GLN A 66 -1.557 6.968 4.537 1.00 0.00 O ATOM 1069 CB GLN A 66 1.125 7.311 6.136 1.00 0.00 C ATOM 1070 CG GLN A 66 1.975 6.716 7.261 1.00 0.00 C ATOM 1071 CD GLN A 66 2.825 7.818 7.895 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.036 7.723 7.930 1.00 0.00 O ATOM 1073 NE2 GLN A 66 2.239 8.869 8.400 1.00 0.00 N ATOM 0 H GLN A 66 0.557 6.967 3.286 1.00 0.00 H new ATOM 0 HA GLN A 66 0.960 5.224 5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.716 8.018 5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.285 7.866 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.333 6.259 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.617 5.927 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.223 8.949 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.797 9.610 8.824 1.00 0.00 H new ATOM 1082 N LEU A 67 -1.508 5.314 5.990 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.952 5.214 6.051 1.00 0.00 C ATOM 1084 C LEU A 67 -3.351 4.926 7.490 1.00 0.00 C ATOM 1085 O LEU A 67 -2.631 4.267 8.214 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.408 4.051 5.161 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.583 4.487 4.285 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.656 3.590 3.047 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.885 4.359 5.077 1.00 0.00 C ATOM 0 H LEU A 67 -1.011 4.649 6.583 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.413 6.141 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.581 3.717 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.701 3.203 5.780 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.441 5.524 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.493 3.900 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.729 3.676 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.798 2.554 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.723 4.670 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.025 3.322 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.837 4.994 5.962 1.00 0.00 H new ATOM 1101 N VAL A 68 -4.494 5.375 7.920 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.876 5.065 9.282 1.00 0.00 C ATOM 1103 C VAL A 68 -6.220 4.387 9.301 1.00 0.00 C ATOM 1104 O VAL A 68 -7.010 4.453 8.382 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.904 6.285 10.206 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.743 5.831 11.653 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.741 7.192 9.883 1.00 0.00 C ATOM 0 H VAL A 68 -5.157 5.933 7.382 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.106 4.398 9.668 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.850 6.808 10.067 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.763 6.700 12.311 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.559 5.158 11.916 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.792 5.311 11.767 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.763 8.060 10.542 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.806 6.650 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.813 7.521 8.846 1.00 0.00 H new ATOM 1117 N LEU A 69 -6.429 3.687 10.345 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.621 2.919 10.512 1.00 0.00 C ATOM 1119 C LEU A 69 -8.670 3.784 11.196 1.00 0.00 C ATOM 1120 O LEU A 69 -8.339 4.572 12.058 1.00 0.00 O ATOM 1121 CB LEU A 69 -7.238 1.720 11.400 1.00 0.00 C ATOM 1122 CG LEU A 69 -6.049 0.910 10.784 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.492 -0.471 10.351 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.441 1.584 9.552 1.00 0.00 C ATOM 0 H LEU A 69 -5.775 3.622 11.125 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.033 2.577 9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.963 2.074 12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.101 1.066 11.523 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.304 0.858 11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.644 -1.009 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.874 -1.017 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.277 -0.382 9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.622 0.974 9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.204 1.689 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.063 2.569 9.825 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.935 3.644 10.850 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.950 4.442 11.528 1.00 0.00 C ATOM 1138 C HIS A 70 -10.623 4.359 13.022 1.00 0.00 C ATOM 1139 O HIS A 70 -10.800 5.284 13.790 1.00 0.00 O ATOM 1140 CB HIS A 70 -12.339 3.857 11.263 1.00 0.00 C ATOM 1141 CG HIS A 70 -12.270 2.355 11.309 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.217 1.654 12.504 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -12.246 1.407 10.317 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -12.165 0.344 12.203 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.180 0.137 10.883 1.00 0.00 N ATOM 0 H HIS A 70 -10.281 3.010 10.130 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.952 5.473 11.174 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -13.047 4.222 12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.703 4.185 10.289 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.274 1.615 9.258 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.117 -0.445 12.939 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.150 -0.758 10.395 1.00 0.00 H new ATOM 1153 N ALA A 71 -10.083 3.228 13.386 1.00 0.00 N ATOM 1154 CA ALA A 71 -9.659 3.004 14.744 1.00 0.00 C ATOM 1155 C ALA A 71 -8.370 3.803 14.968 1.00 0.00 C ATOM 1156 O ALA A 71 -8.141 4.818 14.342 1.00 0.00 O ATOM 1157 CB ALA A 71 -9.392 1.514 14.967 1.00 0.00 C ATOM 0 H ALA A 71 -9.925 2.441 12.757 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.433 3.323 15.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.072 1.352 15.996 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.304 0.949 14.778 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.609 1.179 14.286 1.00 0.00 H new ATOM 1163 N GLY A 72 -7.554 3.386 15.885 1.00 0.00 N ATOM 1164 CA GLY A 72 -6.336 4.128 16.185 1.00 0.00 C ATOM 1165 C GLY A 72 -5.138 3.330 15.701 1.00 0.00 C ATOM 1166 O GLY A 72 -4.207 3.049 16.430 1.00 0.00 O ATOM 0 H GLY A 72 -7.693 2.544 16.444 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.360 5.103 15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.260 4.308 17.257 1.00 0.00 H new ATOM 1170 N ASP A 73 -5.188 2.955 14.472 1.00 0.00 N ATOM 1171 CA ASP A 73 -4.114 2.174 13.919 1.00 0.00 C ATOM 1172 C ASP A 73 -3.650 2.797 12.617 1.00 0.00 C ATOM 1173 O ASP A 73 -4.436 3.161 11.773 1.00 0.00 O ATOM 1174 CB ASP A 73 -4.586 0.739 13.689 1.00 0.00 C ATOM 1175 CG ASP A 73 -4.468 -0.052 14.992 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -4.064 0.533 15.983 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.785 -1.231 14.978 1.00 0.00 O ATOM 0 H ASP A 73 -5.949 3.168 13.827 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.277 2.158 14.617 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.619 0.736 13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.987 0.268 12.910 1.00 0.00 H new ATOM 1182 N THR A 74 -2.372 2.930 12.461 1.00 0.00 N ATOM 1183 CA THR A 74 -1.857 3.529 11.257 1.00 0.00 C ATOM 1184 C THR A 74 -1.237 2.438 10.411 1.00 0.00 C ATOM 1185 O THR A 74 -0.937 1.363 10.890 1.00 0.00 O ATOM 1186 CB THR A 74 -0.796 4.577 11.603 1.00 0.00 C ATOM 1187 OG1 THR A 74 -1.047 5.091 12.904 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.850 5.715 10.582 1.00 0.00 C ATOM 0 H THR A 74 -1.668 2.638 13.139 1.00 0.00 H new ATOM 0 HA THR A 74 -2.664 4.019 10.712 1.00 0.00 H new ATOM 0 HB THR A 74 0.192 4.117 11.579 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.368 5.761 13.128 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.095 6.461 10.828 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.657 5.319 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.837 6.177 10.604 1.00 0.00 H new ATOM 1196 N THR A 75 -1.025 2.700 9.161 1.00 0.00 N ATOM 1197 CA THR A 75 -0.426 1.712 8.313 1.00 0.00 C ATOM 1198 C THR A 75 0.584 2.451 7.443 1.00 0.00 C ATOM 1199 O THR A 75 0.220 3.148 6.517 1.00 0.00 O ATOM 1200 CB THR A 75 -1.499 1.070 7.430 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.543 0.564 8.250 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.881 -0.073 6.623 1.00 0.00 C ATOM 0 H THR A 75 -1.255 3.583 8.704 1.00 0.00 H new ATOM 0 HA THR A 75 0.051 0.923 8.894 1.00 0.00 H new ATOM 0 HB THR A 75 -1.903 1.817 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.288 0.270 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.646 -0.530 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.080 0.317 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.476 -0.822 7.304 1.00 0.00 H new ATOM 1210 N ASN A 76 1.844 2.325 7.729 1.00 0.00 N ATOM 1211 CA ASN A 76 2.824 3.026 6.933 1.00 0.00 C ATOM 1212 C ASN A 76 3.575 2.007 6.104 1.00 0.00 C ATOM 1213 O ASN A 76 3.800 0.893 6.535 1.00 0.00 O ATOM 1214 CB ASN A 76 3.805 3.760 7.847 1.00 0.00 C ATOM 1215 CG ASN A 76 3.029 4.638 8.830 1.00 0.00 C ATOM 1216 OD1 ASN A 76 1.843 4.456 9.019 1.00 0.00 O ATOM 1217 ND2 ASN A 76 3.652 5.591 9.467 1.00 0.00 N ATOM 0 H ASN A 76 2.220 1.758 8.489 1.00 0.00 H new ATOM 0 HA ASN A 76 2.331 3.754 6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.418 3.042 8.391 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.483 4.373 7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.143 6.183 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.648 5.744 9.309 1.00 0.00 H new ATOM 1224 N PHE A 77 3.961 2.351 4.914 1.00 0.00 N ATOM 1225 CA PHE A 77 4.660 1.379 4.121 1.00 0.00 C ATOM 1226 C PHE A 77 5.658 2.049 3.178 1.00 0.00 C ATOM 1227 O PHE A 77 5.477 3.157 2.713 1.00 0.00 O ATOM 1228 CB PHE A 77 3.656 0.564 3.317 1.00 0.00 C ATOM 1229 CG PHE A 77 3.707 -0.867 3.772 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.929 -1.536 3.764 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.544 -1.533 4.186 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.001 -2.863 4.162 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.618 -2.864 4.585 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.854 -3.527 4.568 1.00 0.00 C ATOM 0 H PHE A 77 3.813 3.262 4.479 1.00 0.00 H new ATOM 0 HA PHE A 77 5.217 0.724 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.652 0.966 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.885 0.629 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.823 -1.020 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.596 -1.015 4.195 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.950 -3.378 4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.728 -3.384 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.912 -4.561 4.873 1.00 0.00 H new ATOM 1244 N HIS A 78 6.726 1.367 2.927 1.00 0.00 N ATOM 1245 CA HIS A 78 7.744 1.915 2.062 1.00 0.00 C ATOM 1246 C HIS A 78 8.276 0.840 1.125 1.00 0.00 C ATOM 1247 O HIS A 78 8.096 -0.336 1.329 1.00 0.00 O ATOM 1248 CB HIS A 78 8.908 2.497 2.878 1.00 0.00 C ATOM 1249 CG HIS A 78 9.841 3.198 1.927 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.808 2.500 1.238 1.00 0.00 N ATOM 1251 CD2 HIS A 78 9.936 4.503 1.475 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.421 3.362 0.420 1.00 0.00 C ATOM 1253 NE2 HIS A 78 10.937 4.592 0.527 1.00 0.00 N ATOM 0 H HIS A 78 6.925 0.438 3.299 1.00 0.00 H new ATOM 0 HA HIS A 78 7.288 2.716 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.536 3.194 3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.433 1.704 3.411 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.018 1.507 1.334 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.322 5.325 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.220 3.087 -0.252 1.00 0.00 H new ATOM 1261 N PHE A 79 8.929 1.268 0.098 1.00 0.00 N ATOM 1262 CA PHE A 79 9.493 0.349 -0.872 1.00 0.00 C ATOM 1263 C PHE A 79 10.814 0.940 -1.378 1.00 0.00 C ATOM 1264 O PHE A 79 10.875 2.114 -1.667 1.00 0.00 O ATOM 1265 CB PHE A 79 8.570 0.215 -2.081 1.00 0.00 C ATOM 1266 CG PHE A 79 7.088 0.166 -1.735 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.465 1.201 -1.009 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.314 -0.897 -2.217 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.082 1.153 -0.775 1.00 0.00 C ATOM 1270 CE2 PHE A 79 4.944 -0.940 -1.969 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.330 0.079 -1.256 1.00 0.00 C ATOM 0 H PHE A 79 9.094 2.254 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 79 9.630 -0.623 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.747 1.055 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.834 -0.691 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.050 2.028 -0.634 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.782 -1.688 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.600 1.946 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.357 -1.770 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.266 0.042 -1.072 1.00 0.00 H new ATOM 1346 N ALA A 85 13.730 1.055 -6.325 1.00 0.00 N ATOM 1347 CA ALA A 85 12.847 2.031 -5.704 1.00 0.00 C ATOM 1348 C ALA A 85 12.374 2.992 -6.792 1.00 0.00 C ATOM 1349 O ALA A 85 12.755 4.145 -6.826 1.00 0.00 O ATOM 1350 CB ALA A 85 13.586 2.810 -4.614 1.00 0.00 C ATOM 0 HA ALA A 85 12.001 1.523 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.909 3.535 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.941 2.119 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.436 3.333 -5.053 1.00 0.00 H new ATOM 1356 N VAL A 86 11.561 2.525 -7.680 1.00 0.00 N ATOM 1357 CA VAL A 86 11.087 3.386 -8.749 1.00 0.00 C ATOM 1358 C VAL A 86 9.709 2.927 -9.259 1.00 0.00 C ATOM 1359 O VAL A 86 8.827 2.609 -8.493 1.00 0.00 O ATOM 1360 CB VAL A 86 12.110 3.374 -9.888 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.486 3.763 -9.345 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.179 1.971 -10.495 1.00 0.00 C ATOM 0 H VAL A 86 11.206 1.569 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 86 10.975 4.400 -8.366 1.00 0.00 H new ATOM 0 HB VAL A 86 11.808 4.088 -10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.213 3.754 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.437 4.762 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.789 3.050 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.907 1.961 -11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.480 1.257 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.199 1.694 -10.884 1.00 0.00 H new ATOM 1372 N LYS A 87 9.529 2.914 -10.562 1.00 0.00 N ATOM 1373 CA LYS A 87 8.261 2.519 -11.160 1.00 0.00 C ATOM 1374 C LYS A 87 7.567 1.410 -10.362 1.00 0.00 C ATOM 1375 O LYS A 87 6.394 1.499 -10.075 1.00 0.00 O ATOM 1376 CB LYS A 87 8.519 2.019 -12.582 1.00 0.00 C ATOM 1377 CG LYS A 87 8.229 3.138 -13.584 1.00 0.00 C ATOM 1378 CD LYS A 87 9.339 3.182 -14.636 1.00 0.00 C ATOM 1379 CE LYS A 87 9.130 4.390 -15.551 1.00 0.00 C ATOM 1380 NZ LYS A 87 9.445 5.639 -14.803 1.00 0.00 N ATOM 0 H LYS A 87 10.248 3.174 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 87 7.606 3.390 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.553 1.690 -12.680 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.888 1.156 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.265 2.970 -14.064 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.165 4.096 -13.067 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.313 3.245 -14.150 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.335 2.263 -15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.769 4.309 -16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.100 4.416 -15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.619 6.412 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.643 5.888 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.293 5.490 -14.220 1.00 0.00 H new ATOM 1394 N GLU A 88 8.251 0.356 -10.024 1.00 0.00 N ATOM 1395 CA GLU A 88 7.591 -0.716 -9.291 1.00 0.00 C ATOM 1396 C GLU A 88 6.797 -0.138 -8.111 1.00 0.00 C ATOM 1397 O GLU A 88 5.576 -0.052 -8.120 1.00 0.00 O ATOM 1398 CB GLU A 88 8.658 -1.678 -8.738 1.00 0.00 C ATOM 1399 CG GLU A 88 9.969 -0.929 -8.458 1.00 0.00 C ATOM 1400 CD GLU A 88 11.020 -1.340 -9.490 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.733 -1.240 -10.672 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.095 -1.748 -9.081 1.00 0.00 O ATOM 0 H GLU A 88 9.238 0.205 -10.231 1.00 0.00 H new ATOM 0 HA GLU A 88 6.913 -1.241 -9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.296 -2.143 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.837 -2.481 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.802 0.147 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.323 -1.156 -7.452 1.00 0.00 H new ATOM 1409 N ARG A 89 7.496 0.249 -7.094 1.00 0.00 N ATOM 1410 CA ARG A 89 6.855 0.799 -5.924 1.00 0.00 C ATOM 1411 C ARG A 89 6.104 2.060 -6.339 1.00 0.00 C ATOM 1412 O ARG A 89 4.953 2.266 -6.013 1.00 0.00 O ATOM 1413 CB ARG A 89 7.926 1.129 -4.892 1.00 0.00 C ATOM 1414 CG ARG A 89 9.042 0.069 -4.924 1.00 0.00 C ATOM 1415 CD ARG A 89 8.426 -1.335 -4.934 1.00 0.00 C ATOM 1416 NE ARG A 89 9.423 -2.303 -5.348 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.230 -3.577 -5.131 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.158 -3.982 -4.504 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.115 -4.449 -5.532 1.00 0.00 N ATOM 0 H ARG A 89 8.513 0.198 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 89 6.152 0.088 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.345 2.115 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.482 1.170 -3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.664 0.209 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.691 0.185 -4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.052 -1.586 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.573 -1.364 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 89 10.277 -1.989 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.468 -3.303 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.011 -4.977 -4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.957 -4.136 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.964 -5.443 -5.363 1.00 0.00 H new ATOM 1433 N ASP A 90 6.763 2.884 -7.088 1.00 0.00 N ATOM 1434 CA ASP A 90 6.140 4.098 -7.566 1.00 0.00 C ATOM 1435 C ASP A 90 4.849 3.732 -8.321 1.00 0.00 C ATOM 1436 O ASP A 90 4.023 4.578 -8.593 1.00 0.00 O ATOM 1437 CB ASP A 90 7.095 4.832 -8.510 1.00 0.00 C ATOM 1438 CG ASP A 90 6.832 6.337 -8.431 1.00 0.00 C ATOM 1439 OD1 ASP A 90 6.018 6.734 -7.613 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.448 7.066 -9.190 1.00 0.00 O ATOM 0 H ASP A 90 7.729 2.749 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 90 5.905 4.747 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.129 4.618 -8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.955 4.480 -9.532 1.00 0.00 H new ATOM 1445 N ALA A 91 4.653 2.471 -8.631 1.00 0.00 N ATOM 1446 CA ALA A 91 3.448 2.065 -9.325 1.00 0.00 C ATOM 1447 C ALA A 91 2.402 1.592 -8.309 1.00 0.00 C ATOM 1448 O ALA A 91 1.222 1.882 -8.435 1.00 0.00 O ATOM 1449 CB ALA A 91 3.776 0.918 -10.283 1.00 0.00 C ATOM 0 H ALA A 91 5.303 1.715 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 91 3.052 2.911 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.871 0.611 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.519 1.251 -11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 91 4.172 0.074 -9.718 1.00 0.00 H new ATOM 1455 N VAL A 92 2.819 0.922 -7.263 1.00 0.00 N ATOM 1456 CA VAL A 92 1.839 0.516 -6.271 1.00 0.00 C ATOM 1457 C VAL A 92 1.386 1.776 -5.550 1.00 0.00 C ATOM 1458 O VAL A 92 0.215 1.985 -5.310 1.00 0.00 O ATOM 1459 CB VAL A 92 2.428 -0.478 -5.262 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.279 -1.901 -5.801 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.905 -0.183 -5.021 1.00 0.00 C ATOM 0 H VAL A 92 3.785 0.653 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 92 1.006 0.012 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 92 1.890 -0.379 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.698 -2.607 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.223 -2.123 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.810 -1.989 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.306 -0.898 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.451 -0.267 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.015 0.827 -4.627 1.00 0.00 H new ATOM 1471 N LYS A 93 2.315 2.639 -5.249 1.00 0.00 N ATOM 1472 CA LYS A 93 1.973 3.886 -4.606 1.00 0.00 C ATOM 1473 C LYS A 93 1.196 4.734 -5.615 1.00 0.00 C ATOM 1474 O LYS A 93 0.182 5.324 -5.270 1.00 0.00 O ATOM 1475 CB LYS A 93 3.259 4.600 -4.179 1.00 0.00 C ATOM 1476 CG LYS A 93 2.975 6.072 -3.860 1.00 0.00 C ATOM 1477 CD LYS A 93 3.984 6.951 -4.602 1.00 0.00 C ATOM 1478 CE LYS A 93 3.345 8.301 -4.931 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.341 8.125 -6.017 1.00 0.00 N ATOM 0 H LYS A 93 3.309 2.508 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 93 1.362 3.717 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.682 4.107 -3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.002 4.531 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.959 6.332 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.045 6.244 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.873 7.098 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.307 6.457 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.867 8.715 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.111 9.012 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.269 9.003 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.637 7.347 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.415 7.901 -5.600 1.00 0.00 H new ATOM 1493 N ASP A 94 1.665 4.781 -6.863 1.00 0.00 N ATOM 1494 CA ASP A 94 0.977 5.554 -7.895 1.00 0.00 C ATOM 1495 C ASP A 94 -0.455 5.048 -8.028 1.00 0.00 C ATOM 1496 O ASP A 94 -1.331 5.758 -8.479 1.00 0.00 O ATOM 1497 CB ASP A 94 1.700 5.414 -9.235 1.00 0.00 C ATOM 1498 CG ASP A 94 0.805 5.936 -10.362 1.00 0.00 C ATOM 1499 OD1 ASP A 94 0.737 7.143 -10.527 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.204 5.119 -11.040 1.00 0.00 O ATOM 0 H ASP A 94 2.507 4.300 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 94 0.972 6.606 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.636 5.971 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.955 4.369 -9.414 1.00 0.00 H new ATOM 1505 N LEU A 95 -0.721 3.847 -7.587 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.088 3.355 -7.633 1.00 0.00 C ATOM 1507 C LEU A 95 -2.775 3.671 -6.281 1.00 0.00 C ATOM 1508 O LEU A 95 -3.913 4.118 -6.234 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.085 1.848 -7.887 1.00 0.00 C ATOM 1510 CG LEU A 95 -2.200 1.595 -9.392 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -3.612 1.952 -9.863 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.183 2.464 -10.138 1.00 0.00 C ATOM 0 H LEU A 95 -0.035 3.199 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.634 3.841 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.169 1.403 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.915 1.376 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.000 0.543 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.694 1.772 -10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.339 1.335 -9.335 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.810 3.004 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.266 2.283 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.382 3.516 -9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.176 2.213 -9.805 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.087 3.429 -5.185 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.648 3.691 -3.855 1.00 0.00 C ATOM 1526 C LEU A 96 -3.504 4.966 -3.870 1.00 0.00 C ATOM 1527 O LEU A 96 -4.714 4.924 -3.743 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.497 3.904 -2.864 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.744 2.592 -2.580 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.100 2.670 -1.199 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.706 1.402 -2.618 1.00 0.00 C ATOM 0 H LEU A 96 -1.139 3.052 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.266 2.842 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.803 4.643 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.890 4.308 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 96 0.020 2.453 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.434 1.742 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.599 3.506 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.873 2.818 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.156 0.483 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.480 1.536 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.168 1.339 -3.603 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.874 6.100 -4.036 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.606 7.376 -4.077 1.00 0.00 C ATOM 1545 C GLN A 97 -4.667 7.395 -5.186 1.00 0.00 C ATOM 1546 O GLN A 97 -5.385 8.362 -5.350 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.661 8.537 -4.347 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.175 8.509 -5.797 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.216 7.353 -5.956 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.015 7.530 -5.933 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -1.705 6.167 -6.124 1.00 0.00 N ATOM 0 H GLN A 97 -1.863 6.185 -4.146 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.084 7.478 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.169 9.480 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -1.808 8.484 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.019 8.398 -6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.683 9.448 -6.050 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.716 6.030 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.080 5.369 -6.239 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.781 6.348 -5.927 1.00 0.00 N ATOM 1561 CA GLN A 98 -5.770 6.296 -6.975 1.00 0.00 C ATOM 1562 C GLN A 98 -7.027 5.641 -6.409 1.00 0.00 C ATOM 1563 O GLN A 98 -8.138 6.029 -6.713 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.243 5.474 -8.152 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.388 6.282 -9.442 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.522 5.698 -10.286 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.592 5.422 -9.780 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.331 5.495 -11.560 1.00 0.00 N ATOM 0 H GLN A 98 -4.207 5.510 -5.836 1.00 0.00 H new ATOM 0 HA GLN A 98 -5.994 7.302 -7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.197 5.214 -7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.796 4.538 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.595 7.326 -9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.454 6.261 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.433 5.727 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.080 5.105 -12.132 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.855 4.655 -5.570 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.015 3.997 -4.976 1.00 0.00 C ATOM 1579 C LEU A 99 -8.490 4.825 -3.783 1.00 0.00 C ATOM 1580 O LEU A 99 -9.646 4.811 -3.424 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.649 2.597 -4.472 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.463 2.050 -5.253 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.243 2.108 -4.360 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.716 0.600 -5.637 1.00 0.00 C ATOM 0 H LEU A 99 -5.949 4.287 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.794 3.912 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.407 2.637 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.504 1.929 -4.579 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.315 2.640 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.379 1.720 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.055 3.141 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.415 1.504 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.862 0.217 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.856 0.004 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.611 0.538 -6.256 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.582 5.506 -3.144 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.916 6.297 -1.974 1.00 0.00 C ATOM 1598 C LEU A 100 -9.222 7.044 -2.249 1.00 0.00 C ATOM 1599 O LEU A 100 -10.079 7.150 -1.397 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.738 7.263 -1.702 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.203 8.658 -1.245 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -7.156 8.734 0.277 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.258 9.713 -1.826 1.00 0.00 C ATOM 0 H LEU A 100 -6.597 5.535 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.066 5.678 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.090 6.833 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.140 7.363 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.221 8.837 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.485 9.721 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.814 7.975 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.136 8.561 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.580 10.705 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.244 9.529 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.276 9.658 -2.914 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.316 7.521 -3.454 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.526 8.259 -3.881 1.00 0.00 C ATOM 1617 C PRO A 101 -11.755 7.339 -4.017 1.00 0.00 C ATOM 1618 O PRO A 101 -12.813 7.765 -4.436 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.134 8.812 -5.249 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.602 8.851 -5.310 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.103 7.911 -4.218 1.00 0.00 C ATOM 0 HA PRO A 101 -10.814 9.022 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.533 8.184 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.549 9.810 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.244 8.533 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.233 9.864 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.609 7.038 -4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.375 8.406 -3.575 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.614 6.081 -3.713 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.721 5.147 -3.869 1.00 0.00 C ATOM 1631 C LYS A 102 -13.530 4.987 -2.576 1.00 0.00 C ATOM 1632 O LYS A 102 -14.743 4.919 -2.597 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.132 3.784 -4.224 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.210 2.705 -4.155 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.130 1.825 -5.403 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.780 2.552 -6.581 1.00 0.00 C ATOM 1637 NZ LYS A 102 -12.781 2.721 -7.674 1.00 0.00 N ATOM 0 H LYS A 102 -10.752 5.668 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.387 5.530 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.703 3.816 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.321 3.541 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.076 2.098 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.196 3.165 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.090 1.595 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.634 0.875 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.638 1.986 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.152 3.525 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.223 3.215 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.976 3.279 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.446 1.787 -7.986 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.869 4.863 -1.466 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.586 4.637 -0.213 1.00 0.00 C ATOM 1653 C PHE A 103 -13.824 5.962 0.507 1.00 0.00 C ATOM 1654 O PHE A 103 -14.494 6.017 1.519 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.799 3.670 0.702 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.378 3.577 0.221 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.100 2.857 -0.941 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.354 4.247 0.899 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.802 2.805 -1.433 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.044 4.188 0.412 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.769 3.468 -0.757 1.00 0.00 C ATOM 0 H PHE A 103 -11.853 4.911 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.549 4.184 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.824 4.025 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.263 2.684 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.894 2.340 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.574 4.808 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.589 2.253 -2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.248 4.696 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.759 3.424 -1.138 1.00 0.00 H new