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 64 GLN :FLIP amide:sc= -2.13 F(o=-26,f=-25) USER MOD Set 1.2: A 78 HIS : no HE2:sc= -23.2! C(o=-25!,f=-27!) USER MOD Set 2.1: A 66 GLN : amide:sc= -0.839 K(o=-6.7,f=-7.6) USER MOD Set 2.2: A 76 ASN : amide:sc= -5.88! C(o=-6.7!,f=-15!) USER MOD Set 3.1: A 51 LYS NZ :NH3+ 143:sc= -1.28 (180deg=-2.37!) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -5.88! C(o=-7.2!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.142) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2.2!) 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= -2.13 K(o=-2.1,f=-6.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 140:sc= -9.76! (180deg=-17.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -47:sc= 0.154! USER MOD Single : A 45 HIS :FLIP no HE2:sc= -9.75! C(o=-14!,f=-9.8!) USER MOD Single : A 46 MET CE :methyl 140:sc= -0.502 (180deg=-2.42!) USER MOD Single : A 47 TYR OH : rot 43:sc= -3.26! USER MOD Single : A 52 CYS SG : rot 63:sc= -1.8! USER MOD Single : A 53 GLN : amide:sc= -5.02! C(o=-5!,f=-8.2!) 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= -0.0806 (180deg=-0.626) USER MOD Single : A 97 GLN :FLIP amide:sc= -5.89! C(o=-11!,f=-5.9!) USER MOD Single : A 98 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.027) USER MOD Single : A 102 LYS NZ :NH3+ -153:sc= -0.401 (180deg=-1.94!) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.673 -6.949 -7.238 1.00 0.00 N ATOM 97 CA VAL A 8 -7.537 -6.247 -6.678 1.00 0.00 C ATOM 98 C VAL A 8 -6.901 -5.377 -7.764 1.00 0.00 C ATOM 99 O VAL A 8 -7.072 -5.610 -8.944 1.00 0.00 O ATOM 100 CB VAL A 8 -6.516 -7.273 -6.130 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.230 -8.588 -5.797 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.420 -7.562 -7.168 1.00 0.00 C ATOM 0 HA VAL A 8 -7.859 -5.607 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.061 -6.851 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.507 -9.307 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.997 -8.405 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.695 -8.988 -6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.714 -8.286 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.873 -7.967 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.894 -6.638 -7.409 1.00 0.00 H new ATOM 112 N LEU A 9 -6.228 -4.335 -7.367 1.00 0.00 N ATOM 113 CA LEU A 9 -5.666 -3.429 -8.353 1.00 0.00 C ATOM 114 C LEU A 9 -4.168 -3.688 -8.626 1.00 0.00 C ATOM 115 O LEU A 9 -3.720 -3.458 -9.732 1.00 0.00 O ATOM 116 CB LEU A 9 -5.842 -1.991 -7.857 1.00 0.00 C ATOM 117 CG LEU A 9 -5.032 -1.039 -8.739 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.413 -1.252 -10.205 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.335 0.407 -8.340 1.00 0.00 C ATOM 0 H LEU A 9 -6.052 -4.087 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.197 -3.596 -9.290 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.896 -1.715 -7.879 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.513 -1.911 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.969 -1.239 -8.607 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.836 -0.574 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.199 -2.282 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.476 -1.053 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.758 1.086 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.399 0.606 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.064 0.561 -7.295 1.00 0.00 H new ATOM 131 N LEU A 10 -3.366 -4.152 -7.695 1.00 0.00 N ATOM 132 CA LEU A 10 -1.973 -4.362 -8.061 1.00 0.00 C ATOM 133 C LEU A 10 -1.186 -4.960 -6.902 1.00 0.00 C ATOM 134 O LEU A 10 -1.482 -4.731 -5.749 1.00 0.00 O ATOM 135 CB LEU A 10 -1.346 -3.025 -8.457 1.00 0.00 C ATOM 136 CG LEU A 10 0.154 -3.211 -8.691 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.606 -2.310 -9.842 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.920 -2.834 -7.420 1.00 0.00 C ATOM 0 H LEU A 10 -3.625 -4.381 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.939 -5.058 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.821 -2.643 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.513 -2.287 -7.673 1.00 0.00 H new ATOM 0 HG LEU A 10 0.355 -4.252 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.675 -2.442 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.061 -2.576 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.404 -1.269 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.989 -2.967 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.718 -1.793 -7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.599 -3.474 -6.598 1.00 0.00 H new ATOM 150 N ILE A 11 -0.173 -5.724 -7.207 1.00 0.00 N ATOM 151 CA ILE A 11 0.627 -6.322 -6.164 1.00 0.00 C ATOM 152 C ILE A 11 2.108 -6.073 -6.461 1.00 0.00 C ATOM 153 O ILE A 11 2.564 -6.216 -7.578 1.00 0.00 O ATOM 154 CB ILE A 11 0.358 -7.834 -6.117 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.547 -8.567 -5.460 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.145 -8.357 -7.539 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.676 -8.796 -6.475 1.00 0.00 C ATOM 0 H ILE A 11 0.119 -5.948 -8.158 1.00 0.00 H new ATOM 0 HA ILE A 11 0.368 -5.880 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.537 -8.020 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.921 -7.982 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.213 -9.524 -5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.046 -9.430 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.708 -7.850 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.037 -8.165 -8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.503 -9.314 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.305 -9.401 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.023 -7.836 -6.856 1.00 0.00 H new ATOM 169 N VAL A 12 2.858 -5.725 -5.462 1.00 0.00 N ATOM 170 CA VAL A 12 4.273 -5.501 -5.659 1.00 0.00 C ATOM 171 C VAL A 12 5.023 -6.349 -4.637 1.00 0.00 C ATOM 172 O VAL A 12 4.790 -6.251 -3.446 1.00 0.00 O ATOM 173 CB VAL A 12 4.609 -4.021 -5.465 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.313 -3.257 -6.757 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.762 -3.444 -4.331 1.00 0.00 C ATOM 0 H VAL A 12 2.527 -5.589 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 12 4.563 -5.779 -6.672 1.00 0.00 H new ATOM 0 HB VAL A 12 5.665 -3.922 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.552 -2.203 -6.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.919 -3.664 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.257 -3.360 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.004 -2.390 -4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.705 -3.545 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.972 -3.985 -3.409 1.00 0.00 H new ATOM 185 N LYS A 13 5.903 -7.202 -5.080 1.00 0.00 N ATOM 186 CA LYS A 13 6.592 -8.026 -4.116 1.00 0.00 C ATOM 187 C LYS A 13 7.479 -7.143 -3.255 1.00 0.00 C ATOM 188 O LYS A 13 7.150 -6.802 -2.154 1.00 0.00 O ATOM 189 CB LYS A 13 7.457 -9.054 -4.849 1.00 0.00 C ATOM 190 CG LYS A 13 6.864 -10.451 -4.660 1.00 0.00 C ATOM 191 CD LYS A 13 7.990 -11.457 -4.416 1.00 0.00 C ATOM 192 CE LYS A 13 7.848 -12.629 -5.389 1.00 0.00 C ATOM 193 NZ LYS A 13 6.577 -13.355 -5.110 1.00 0.00 N ATOM 0 H LYS A 13 6.156 -7.346 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 13 5.867 -8.545 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.509 -8.810 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.477 -9.026 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.172 -10.453 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.292 -10.737 -5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.958 -10.975 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.953 -11.818 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.853 -12.265 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.696 -13.306 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.629 -14.313 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.431 -13.417 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.782 -12.842 -5.542 1.00 0.00 H new ATOM 207 N LYS A 14 8.620 -6.808 -3.712 1.00 0.00 N ATOM 208 CA LYS A 14 9.512 -6.042 -2.874 1.00 0.00 C ATOM 209 C LYS A 14 8.809 -4.840 -2.234 1.00 0.00 C ATOM 210 O LYS A 14 8.450 -3.885 -2.890 1.00 0.00 O ATOM 211 CB LYS A 14 10.690 -5.535 -3.717 1.00 0.00 C ATOM 212 CG LYS A 14 11.954 -6.313 -3.345 1.00 0.00 C ATOM 213 CD LYS A 14 11.648 -7.812 -3.327 1.00 0.00 C ATOM 214 CE LYS A 14 12.952 -8.601 -3.453 1.00 0.00 C ATOM 215 NZ LYS A 14 12.682 -9.901 -4.130 1.00 0.00 N ATOM 0 H LYS A 14 8.973 -7.036 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 14 9.859 -6.697 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.472 -5.659 -4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.842 -4.469 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.747 -6.102 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.315 -5.994 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.137 -8.079 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.976 -8.067 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.683 -8.027 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.381 -8.775 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.568 -10.438 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.998 -10.449 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.291 -9.724 -5.077 1.00 0.00 H new ATOM 229 N VAL A 15 8.753 -4.852 -0.916 1.00 0.00 N ATOM 230 CA VAL A 15 8.239 -3.702 -0.216 1.00 0.00 C ATOM 231 C VAL A 15 8.989 -3.560 1.095 1.00 0.00 C ATOM 232 O VAL A 15 9.386 -4.523 1.721 1.00 0.00 O ATOM 233 CB VAL A 15 6.724 -3.754 -0.031 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.284 -2.651 0.932 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.081 -3.511 -1.391 1.00 0.00 C ATOM 0 H VAL A 15 9.050 -5.628 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 15 8.409 -2.810 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 15 6.426 -4.721 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.202 -2.691 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.771 -2.795 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.565 -1.680 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.996 -3.542 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.383 -2.533 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.404 -4.283 -2.089 1.00 0.00 H new ATOM 245 N ARG A 16 9.207 -2.349 1.485 1.00 0.00 N ATOM 246 CA ARG A 16 9.935 -2.069 2.689 1.00 0.00 C ATOM 247 C ARG A 16 9.053 -1.253 3.602 1.00 0.00 C ATOM 248 O ARG A 16 8.417 -0.312 3.195 1.00 0.00 O ATOM 249 CB ARG A 16 11.180 -1.250 2.322 1.00 0.00 C ATOM 250 CG ARG A 16 11.690 -0.470 3.543 1.00 0.00 C ATOM 251 CD ARG A 16 13.208 -0.641 3.697 1.00 0.00 C ATOM 252 NE ARG A 16 13.613 -1.984 3.319 1.00 0.00 N ATOM 253 CZ ARG A 16 14.867 -2.232 3.039 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.762 -1.284 3.132 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.230 -3.430 2.669 1.00 0.00 N ATOM 0 H ARG A 16 8.888 -1.521 0.982 1.00 0.00 H new ATOM 0 HA ARG A 16 10.230 -2.993 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.963 -1.913 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.942 -0.558 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.447 0.587 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.186 -0.822 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.726 0.089 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.499 -0.445 4.729 1.00 0.00 H new ATOM 0 HE ARG A 16 12.921 -2.732 3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.484 -0.347 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.738 -1.481 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.536 -4.174 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.208 -3.622 2.451 1.00 0.00 H new ATOM 269 N GLN A 17 9.036 -1.589 4.837 1.00 0.00 N ATOM 270 CA GLN A 17 8.253 -0.835 5.761 1.00 0.00 C ATOM 271 C GLN A 17 9.051 -0.800 7.056 1.00 0.00 C ATOM 272 O GLN A 17 9.662 -1.782 7.426 1.00 0.00 O ATOM 273 CB GLN A 17 6.871 -1.487 5.930 1.00 0.00 C ATOM 274 CG GLN A 17 6.941 -2.675 6.875 1.00 0.00 C ATOM 275 CD GLN A 17 5.521 -3.114 7.238 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.899 -2.539 8.109 1.00 0.00 O ATOM 277 NE2 GLN A 17 4.978 -4.116 6.602 1.00 0.00 N ATOM 0 H GLN A 17 9.549 -2.375 5.237 1.00 0.00 H new ATOM 0 HA GLN A 17 8.062 0.182 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.163 -0.753 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.497 -1.812 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.480 -3.498 6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.493 -2.406 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.500 -4.599 5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.032 -4.416 6.836 1.00 0.00 H new ATOM 286 N LYS A 18 9.165 0.355 7.663 1.00 0.00 N ATOM 287 CA LYS A 18 10.027 0.499 8.834 1.00 0.00 C ATOM 288 C LYS A 18 9.985 -0.766 9.697 1.00 0.00 C ATOM 289 O LYS A 18 10.934 -1.078 10.390 1.00 0.00 O ATOM 290 CB LYS A 18 9.557 1.694 9.665 1.00 0.00 C ATOM 291 CG LYS A 18 10.310 2.951 9.225 1.00 0.00 C ATOM 292 CD LYS A 18 10.771 3.729 10.459 1.00 0.00 C ATOM 293 CE LYS A 18 11.891 2.959 11.161 1.00 0.00 C ATOM 294 NZ LYS A 18 11.978 3.397 12.583 1.00 0.00 N ATOM 0 H LYS A 18 8.682 1.207 7.378 1.00 0.00 H new ATOM 0 HA LYS A 18 11.051 0.657 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.484 1.838 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.732 1.505 10.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.169 2.677 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.665 3.577 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.123 4.718 10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.934 3.877 11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.698 1.887 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.841 3.136 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.739 2.874 13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.181 4.416 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.074 3.207 13.061 1.00 0.00 H new ATOM 308 N LYS A 19 8.934 -1.525 9.632 1.00 0.00 N ATOM 309 CA LYS A 19 8.894 -2.749 10.391 1.00 0.00 C ATOM 310 C LYS A 19 9.770 -3.820 9.693 1.00 0.00 C ATOM 311 O LYS A 19 10.649 -4.414 10.286 1.00 0.00 O ATOM 312 CB LYS A 19 7.408 -3.222 10.498 1.00 0.00 C ATOM 313 CG LYS A 19 7.097 -4.453 9.600 1.00 0.00 C ATOM 314 CD LYS A 19 5.701 -4.992 9.902 1.00 0.00 C ATOM 315 CE LYS A 19 5.771 -5.994 11.055 1.00 0.00 C ATOM 316 NZ LYS A 19 4.664 -5.725 12.014 1.00 0.00 N ATOM 0 H LYS A 19 8.103 -1.329 9.073 1.00 0.00 H new ATOM 0 HA LYS A 19 9.289 -2.590 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.185 -3.470 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.749 -2.400 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.166 -4.171 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.840 -5.233 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.033 -4.171 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.287 -5.472 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.695 -7.012 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.733 -5.915 11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.711 -6.406 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.756 -4.759 12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.751 -5.822 11.526 1.00 0.00 H new ATOM 330 N GLN A 20 9.441 -4.123 8.472 1.00 0.00 N ATOM 331 CA GLN A 20 10.094 -5.182 7.737 1.00 0.00 C ATOM 332 C GLN A 20 10.061 -4.906 6.243 1.00 0.00 C ATOM 333 O GLN A 20 9.313 -4.081 5.763 1.00 0.00 O ATOM 334 CB GLN A 20 9.408 -6.519 8.003 1.00 0.00 C ATOM 335 CG GLN A 20 10.442 -7.521 8.507 1.00 0.00 C ATOM 336 CD GLN A 20 10.477 -8.734 7.574 1.00 0.00 C ATOM 337 OE1 GLN A 20 9.888 -8.714 6.511 1.00 0.00 O ATOM 338 NE2 GLN A 20 11.147 -9.796 7.929 1.00 0.00 N ATOM 0 H GLN A 20 8.708 -3.643 7.949 1.00 0.00 H new ATOM 0 HA GLN A 20 11.130 -5.225 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.615 -6.394 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.940 -6.889 7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.426 -7.054 8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.194 -7.836 9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.641 -9.813 8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.176 -10.609 7.314 1.00 0.00 H new ATOM 347 N ASP A 21 10.795 -5.665 5.497 1.00 0.00 N ATOM 348 CA ASP A 21 10.714 -5.524 4.071 1.00 0.00 C ATOM 349 C ASP A 21 9.923 -6.774 3.752 1.00 0.00 C ATOM 350 O ASP A 21 10.154 -7.834 4.299 1.00 0.00 O ATOM 351 CB ASP A 21 12.094 -5.541 3.395 1.00 0.00 C ATOM 352 CG ASP A 21 13.102 -4.816 4.288 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.732 -3.809 4.870 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.227 -5.280 4.375 1.00 0.00 O ATOM 0 H ASP A 21 11.445 -6.375 5.835 1.00 0.00 H new ATOM 0 HA ASP A 21 10.281 -4.585 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.415 -6.568 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.040 -5.057 2.420 1.00 0.00 H new ATOM 359 N GLY A 22 8.920 -6.625 2.954 1.00 0.00 N ATOM 360 CA GLY A 22 8.042 -7.730 2.689 1.00 0.00 C ATOM 361 C GLY A 22 7.244 -7.466 1.431 1.00 0.00 C ATOM 362 O GLY A 22 7.283 -6.373 0.892 1.00 0.00 O ATOM 0 H GLY A 22 8.683 -5.757 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.621 -8.647 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.368 -7.880 3.532 1.00 0.00 H new ATOM 366 N ALA A 23 6.600 -8.460 0.889 1.00 0.00 N ATOM 367 CA ALA A 23 5.878 -8.241 -0.331 1.00 0.00 C ATOM 368 C ALA A 23 4.481 -7.688 -0.035 1.00 0.00 C ATOM 369 O ALA A 23 3.785 -8.103 0.869 1.00 0.00 O ATOM 370 CB ALA A 23 5.764 -9.552 -1.111 1.00 0.00 C ATOM 0 H ALA A 23 6.559 -9.409 1.262 1.00 0.00 H new ATOM 0 HA ALA A 23 6.422 -7.512 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.215 -9.378 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.761 -9.924 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.235 -10.289 -0.508 1.00 0.00 H new ATOM 376 N LEU A 24 4.147 -6.670 -0.774 1.00 0.00 N ATOM 377 CA LEU A 24 2.897 -5.965 -0.554 1.00 0.00 C ATOM 378 C LEU A 24 1.904 -6.253 -1.682 1.00 0.00 C ATOM 379 O LEU A 24 2.222 -6.199 -2.854 1.00 0.00 O ATOM 380 CB LEU A 24 3.189 -4.459 -0.528 1.00 0.00 C ATOM 381 CG LEU A 24 2.870 -3.847 0.824 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.744 -2.334 0.641 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.556 -4.393 1.371 1.00 0.00 C ATOM 0 H LEU A 24 4.716 -6.302 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 24 2.462 -6.298 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.239 -4.288 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.602 -3.961 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 24 3.664 -4.094 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.514 -1.869 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.684 -1.934 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.944 -2.119 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.349 -3.940 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.747 -4.156 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.631 -5.474 1.485 1.00 0.00 H new ATOM 395 N TYR A 25 0.687 -6.543 -1.304 1.00 0.00 N ATOM 396 CA TYR A 25 -0.367 -6.820 -2.262 1.00 0.00 C ATOM 397 C TYR A 25 -1.369 -5.676 -2.171 1.00 0.00 C ATOM 398 O TYR A 25 -1.684 -5.231 -1.086 1.00 0.00 O ATOM 399 CB TYR A 25 -1.097 -8.100 -1.849 1.00 0.00 C ATOM 400 CG TYR A 25 -0.436 -9.325 -2.426 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.838 -9.803 -3.674 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.549 -10.002 -1.696 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.252 -10.962 -4.200 1.00 0.00 C ATOM 404 CE2 TYR A 25 1.134 -11.163 -2.218 1.00 0.00 C ATOM 405 CZ TYR A 25 0.733 -11.642 -3.472 1.00 0.00 C ATOM 406 OH TYR A 25 1.308 -12.785 -3.989 1.00 0.00 O ATOM 0 H TYR A 25 0.392 -6.595 -0.329 1.00 0.00 H new ATOM 0 HA TYR A 25 0.047 -6.927 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.116 -8.174 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.133 -8.053 -2.184 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.600 -9.280 -4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.858 -9.629 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.560 -11.331 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.892 -11.687 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 25 1.973 -13.131 -3.358 1.00 0.00 H new ATOM 416 N LEU A 26 -1.901 -5.180 -3.254 1.00 0.00 N ATOM 417 CA LEU A 26 -2.862 -4.104 -3.126 1.00 0.00 C ATOM 418 C LEU A 26 -4.198 -4.580 -3.696 1.00 0.00 C ATOM 419 O LEU A 26 -4.252 -5.172 -4.765 1.00 0.00 O ATOM 420 CB LEU A 26 -2.379 -2.877 -3.904 1.00 0.00 C ATOM 421 CG LEU A 26 -3.237 -1.667 -3.532 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.406 -0.389 -3.664 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.442 -1.589 -4.473 1.00 0.00 C ATOM 0 H LEU A 26 -1.700 -5.485 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.976 -3.830 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.332 -2.678 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.442 -3.065 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.582 -1.770 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.019 0.472 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.547 -0.443 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.060 -0.285 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.055 -0.727 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.095 -1.486 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.036 -2.498 -4.380 1.00 0.00 H new ATOM 435 N MET A 27 -5.278 -4.286 -3.019 1.00 0.00 N ATOM 436 CA MET A 27 -6.579 -4.675 -3.505 1.00 0.00 C ATOM 437 C MET A 27 -7.504 -3.471 -3.361 1.00 0.00 C ATOM 438 O MET A 27 -7.435 -2.750 -2.385 1.00 0.00 O ATOM 439 CB MET A 27 -7.103 -5.844 -2.667 1.00 0.00 C ATOM 440 CG MET A 27 -8.528 -6.188 -3.095 1.00 0.00 C ATOM 441 SD MET A 27 -8.768 -7.981 -3.024 1.00 0.00 S ATOM 442 CE MET A 27 -7.853 -8.278 -1.490 1.00 0.00 C ATOM 0 H MET A 27 -5.284 -3.781 -2.133 1.00 0.00 H new ATOM 0 HA MET A 27 -6.529 -4.990 -4.547 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.456 -6.712 -2.792 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.084 -5.582 -1.609 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.245 -5.689 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.712 -5.826 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.380 -9.019 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.855 -8.647 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.772 -7.347 -0.929 1.00 0.00 H new ATOM 452 N ALA A 28 -8.349 -3.234 -4.330 1.00 0.00 N ATOM 453 CA ALA A 28 -9.241 -2.086 -4.270 1.00 0.00 C ATOM 454 C ALA A 28 -9.728 -1.862 -2.839 1.00 0.00 C ATOM 455 O ALA A 28 -9.644 -0.772 -2.309 1.00 0.00 O ATOM 456 CB ALA A 28 -10.445 -2.342 -5.182 1.00 0.00 C ATOM 0 H ALA A 28 -8.445 -3.810 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.702 -1.198 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.119 -1.486 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.101 -2.487 -6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.972 -3.235 -4.846 1.00 0.00 H new ATOM 462 N GLU A 29 -10.318 -2.852 -2.247 1.00 0.00 N ATOM 463 CA GLU A 29 -10.882 -2.643 -0.933 1.00 0.00 C ATOM 464 C GLU A 29 -9.848 -2.826 0.179 1.00 0.00 C ATOM 465 O GLU A 29 -10.079 -2.395 1.291 1.00 0.00 O ATOM 466 CB GLU A 29 -12.032 -3.628 -0.716 1.00 0.00 C ATOM 467 CG GLU A 29 -12.845 -3.202 0.508 1.00 0.00 C ATOM 468 CD GLU A 29 -14.175 -2.597 0.052 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.148 -1.517 -0.516 1.00 0.00 O ATOM 470 OE2 GLU A 29 -15.197 -3.223 0.279 1.00 0.00 O ATOM 0 H GLU A 29 -10.425 -3.791 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.238 -1.614 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.671 -3.657 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.640 -4.635 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.027 -4.061 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.284 -2.474 1.095 1.00 0.00 H new ATOM 477 N ARG A 30 -8.715 -3.430 -0.056 1.00 0.00 N ATOM 478 CA ARG A 30 -7.780 -3.556 1.050 1.00 0.00 C ATOM 479 C ARG A 30 -6.342 -3.768 0.574 1.00 0.00 C ATOM 480 O ARG A 30 -6.077 -4.121 -0.556 1.00 0.00 O ATOM 481 CB ARG A 30 -8.184 -4.732 1.945 1.00 0.00 C ATOM 482 CG ARG A 30 -7.682 -6.057 1.376 1.00 0.00 C ATOM 483 CD ARG A 30 -8.876 -6.944 1.042 1.00 0.00 C ATOM 484 NE ARG A 30 -9.558 -6.393 -0.116 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.512 -7.072 -0.699 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.803 -8.277 -0.285 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.176 -6.552 -1.696 1.00 0.00 N ATOM 0 H ARG A 30 -8.419 -3.826 -0.948 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.818 -2.620 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.779 -4.586 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.269 -4.763 2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.084 -5.879 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.035 -6.555 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.544 -7.962 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.557 -6.996 1.892 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.293 -5.476 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.286 -8.688 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.547 -8.807 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.952 -5.612 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.919 -7.085 -2.147 1.00 0.00 H new ATOM 501 N ILE A 31 -5.422 -3.554 1.466 1.00 0.00 N ATOM 502 CA ILE A 31 -4.018 -3.736 1.142 1.00 0.00 C ATOM 503 C ILE A 31 -3.480 -4.929 1.951 1.00 0.00 C ATOM 504 O ILE A 31 -3.667 -5.009 3.147 1.00 0.00 O ATOM 505 CB ILE A 31 -3.256 -2.431 1.455 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.799 -1.801 0.135 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.027 -2.697 2.340 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.775 -0.699 0.413 1.00 0.00 C ATOM 0 H ILE A 31 -5.606 -3.254 2.423 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.881 -3.954 0.083 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.923 -1.759 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.361 -2.563 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.656 -1.388 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.513 -1.757 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.346 -3.145 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.349 -3.378 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.454 -0.255 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.228 0.069 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.913 -1.125 0.926 1.00 0.00 H new ATOM 520 N ALA A 32 -2.831 -5.863 1.301 1.00 0.00 N ATOM 521 CA ALA A 32 -2.321 -7.030 2.010 1.00 0.00 C ATOM 522 C ALA A 32 -0.802 -7.002 2.085 1.00 0.00 C ATOM 523 O ALA A 32 -0.134 -6.331 1.324 1.00 0.00 O ATOM 524 CB ALA A 32 -2.770 -8.300 1.285 1.00 0.00 C ATOM 0 H ALA A 32 -2.641 -5.848 0.299 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.717 -7.018 3.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.390 -9.174 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.859 -8.338 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.382 -8.294 0.267 1.00 0.00 H new ATOM 530 N TRP A 33 -0.257 -7.743 3.011 1.00 0.00 N ATOM 531 CA TRP A 33 1.179 -7.779 3.153 1.00 0.00 C ATOM 532 C TRP A 33 1.648 -9.197 3.441 1.00 0.00 C ATOM 533 O TRP A 33 1.001 -9.962 4.128 1.00 0.00 O ATOM 534 CB TRP A 33 1.621 -6.889 4.303 1.00 0.00 C ATOM 535 CG TRP A 33 3.108 -6.827 4.312 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.871 -6.624 3.217 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.038 -6.984 5.428 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.191 -6.565 3.613 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.346 -6.803 4.936 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.890 -7.243 6.799 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.463 -6.867 5.745 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.023 -7.328 7.626 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.309 -7.134 7.094 1.00 0.00 C ATOM 0 H TRP A 33 -0.774 -8.324 3.672 1.00 0.00 H new ATOM 0 HA TRP A 33 1.615 -7.424 2.219 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.202 -5.889 4.190 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.253 -7.284 5.250 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.510 -6.525 2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.964 -6.364 2.979 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.904 -7.377 7.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.447 -6.710 5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.905 -7.544 8.678 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.175 -7.193 7.736 1.00 0.00 H new ATOM 554 N ALA A 34 2.785 -9.536 2.927 1.00 0.00 N ATOM 555 CA ALA A 34 3.328 -10.857 3.162 1.00 0.00 C ATOM 556 C ALA A 34 4.858 -10.823 3.116 1.00 0.00 C ATOM 557 O ALA A 34 5.443 -10.492 2.104 1.00 0.00 O ATOM 558 CB ALA A 34 2.800 -11.832 2.122 1.00 0.00 C ATOM 0 H ALA A 34 3.362 -8.930 2.344 1.00 0.00 H new ATOM 0 HA ALA A 34 3.015 -11.189 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.215 -12.823 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.713 -11.876 2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.093 -11.497 1.127 1.00 0.00 H new ATOM 564 N PRO A 35 5.458 -11.184 4.222 1.00 0.00 N ATOM 565 CA PRO A 35 6.937 -11.199 4.265 1.00 0.00 C ATOM 566 C PRO A 35 7.428 -12.645 4.189 1.00 0.00 C ATOM 567 O PRO A 35 6.721 -13.526 3.742 1.00 0.00 O ATOM 568 CB PRO A 35 7.318 -10.588 5.617 1.00 0.00 C ATOM 569 CG PRO A 35 6.017 -10.407 6.425 1.00 0.00 C ATOM 570 CD PRO A 35 4.846 -10.769 5.504 1.00 0.00 C ATOM 0 HA PRO A 35 7.380 -10.646 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.013 -11.237 6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.820 -9.630 5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.022 -11.047 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.924 -9.379 6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.247 -11.574 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.181 -9.917 5.363 1.00 0.00 H new ATOM 678 N THR A 42 0.182 -11.996 5.190 1.00 0.00 N ATOM 679 CA THR A 42 0.433 -11.639 6.568 1.00 0.00 C ATOM 680 C THR A 42 -0.704 -10.727 7.054 1.00 0.00 C ATOM 681 O THR A 42 -1.185 -10.853 8.162 1.00 0.00 O ATOM 682 CB THR A 42 1.819 -10.963 6.680 1.00 0.00 C ATOM 683 OG1 THR A 42 2.419 -11.338 7.910 1.00 0.00 O ATOM 684 CG2 THR A 42 1.726 -9.433 6.616 1.00 0.00 C ATOM 0 HA THR A 42 0.452 -12.523 7.205 1.00 0.00 H new ATOM 0 HB THR A 42 2.420 -11.296 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.299 -10.914 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.725 -9.004 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.281 -9.135 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.107 -9.071 7.437 1.00 0.00 H new ATOM 692 N ILE A 43 -1.137 -9.816 6.226 1.00 0.00 N ATOM 693 CA ILE A 43 -2.214 -8.937 6.643 1.00 0.00 C ATOM 694 C ILE A 43 -3.042 -8.458 5.455 1.00 0.00 C ATOM 695 O ILE A 43 -2.719 -8.693 4.306 1.00 0.00 O ATOM 696 CB ILE A 43 -1.651 -7.734 7.396 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.534 -7.098 6.576 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.096 -8.189 8.746 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.527 -5.590 6.810 1.00 0.00 C ATOM 0 H ILE A 43 -0.779 -9.658 5.284 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.868 -9.508 7.302 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.445 -7.004 7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.428 -7.525 6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.679 -7.312 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.694 -7.329 9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.894 -8.643 9.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.303 -8.920 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.271 -5.135 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.486 -5.170 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.362 -5.387 7.868 1.00 0.00 H new ATOM 711 N SER A 44 -4.109 -7.770 5.755 1.00 0.00 N ATOM 712 CA SER A 44 -4.984 -7.243 4.731 1.00 0.00 C ATOM 713 C SER A 44 -5.920 -6.233 5.399 1.00 0.00 C ATOM 714 O SER A 44 -6.784 -6.600 6.171 1.00 0.00 O ATOM 715 CB SER A 44 -5.804 -8.377 4.115 1.00 0.00 C ATOM 716 OG SER A 44 -4.980 -9.525 3.961 1.00 0.00 O ATOM 0 H SER A 44 -4.400 -7.557 6.709 1.00 0.00 H new ATOM 0 HA SER A 44 -4.405 -6.767 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.657 -8.611 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.202 -8.069 3.148 1.00 0.00 H new ATOM 0 HG SER A 44 -4.128 -9.264 3.552 1.00 0.00 H new ATOM 722 N HIS A 45 -5.753 -4.966 5.134 1.00 0.00 N ATOM 723 CA HIS A 45 -6.613 -3.985 5.776 1.00 0.00 C ATOM 724 C HIS A 45 -7.573 -3.372 4.764 1.00 0.00 C ATOM 725 O HIS A 45 -7.174 -2.878 3.725 1.00 0.00 O ATOM 726 CB HIS A 45 -5.808 -2.841 6.378 1.00 0.00 C ATOM 727 CG HIS A 45 -4.332 -3.061 6.240 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.518 -3.058 5.145 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.505 -3.265 7.332 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.198 -3.254 5.538 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.247 -3.371 6.869 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.052 -4.587 4.497 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.154 -4.514 6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.083 -1.907 5.888 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.062 -2.734 7.433 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.831 -2.931 4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.814 -3.327 8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.324 -3.301 4.906 1.00 0.00 H new ATOM 739 N MET A 46 -8.831 -3.371 5.086 1.00 0.00 N ATOM 740 CA MET A 46 -9.808 -2.787 4.192 1.00 0.00 C ATOM 741 C MET A 46 -9.678 -1.262 4.238 1.00 0.00 C ATOM 742 O MET A 46 -9.982 -0.650 5.224 1.00 0.00 O ATOM 743 CB MET A 46 -11.216 -3.198 4.625 1.00 0.00 C ATOM 744 CG MET A 46 -11.704 -4.352 3.747 1.00 0.00 C ATOM 745 SD MET A 46 -11.388 -5.924 4.587 1.00 0.00 S ATOM 746 CE MET A 46 -12.436 -5.624 6.031 1.00 0.00 C ATOM 0 H MET A 46 -9.211 -3.761 5.949 1.00 0.00 H new ATOM 0 HA MET A 46 -9.633 -3.140 3.176 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.212 -3.500 5.672 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.896 -2.350 4.541 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.769 -4.243 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.193 -4.332 2.785 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.963 -6.541 6.295 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.817 -5.307 6.870 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.160 -4.843 5.799 1.00 0.00 H new ATOM 756 N TYR A 47 -9.178 -0.667 3.189 1.00 0.00 N ATOM 757 CA TYR A 47 -8.979 0.784 3.158 1.00 0.00 C ATOM 758 C TYR A 47 -10.024 1.538 4.014 1.00 0.00 C ATOM 759 O TYR A 47 -9.706 2.521 4.647 1.00 0.00 O ATOM 760 CB TYR A 47 -9.063 1.272 1.714 1.00 0.00 C ATOM 761 CG TYR A 47 -7.681 1.239 1.090 1.00 0.00 C ATOM 762 CD1 TYR A 47 -7.138 0.029 0.633 1.00 0.00 C ATOM 763 CD2 TYR A 47 -6.939 2.419 0.965 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.864 0.006 0.056 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.670 2.395 0.392 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.129 1.189 -0.065 1.00 0.00 C ATOM 767 OH TYR A 47 -3.872 1.167 -0.634 1.00 0.00 O ATOM 0 H TYR A 47 -8.896 -1.152 2.337 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.996 0.992 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.746 0.642 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.464 2.285 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.704 -0.886 0.727 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.353 3.353 1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.448 -0.926 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.103 3.309 0.300 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.883 0.595 -1.429 1.00 0.00 H new ATOM 777 N ALA A 48 -11.252 1.088 4.071 1.00 0.00 N ATOM 778 CA ALA A 48 -12.235 1.785 4.899 1.00 0.00 C ATOM 779 C ALA A 48 -11.814 1.643 6.369 1.00 0.00 C ATOM 780 O ALA A 48 -11.784 2.591 7.126 1.00 0.00 O ATOM 781 CB ALA A 48 -13.618 1.168 4.682 1.00 0.00 C ATOM 0 H ALA A 48 -11.600 0.268 3.574 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.281 2.840 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.350 1.689 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.897 1.261 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.594 0.114 4.959 1.00 0.00 H new ATOM 787 N ASP A 49 -11.452 0.451 6.738 1.00 0.00 N ATOM 788 CA ASP A 49 -10.987 0.187 8.093 1.00 0.00 C ATOM 789 C ASP A 49 -9.655 0.927 8.322 1.00 0.00 C ATOM 790 O ASP A 49 -9.132 0.965 9.418 1.00 0.00 O ATOM 791 CB ASP A 49 -10.770 -1.315 8.280 1.00 0.00 C ATOM 792 CG ASP A 49 -12.081 -2.059 8.022 1.00 0.00 C ATOM 793 OD1 ASP A 49 -12.799 -1.658 7.121 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.345 -3.018 8.729 1.00 0.00 O ATOM 0 H ASP A 49 -11.465 -0.366 6.127 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.732 0.535 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.999 -1.669 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.418 -1.519 9.291 1.00 0.00 H new ATOM 799 N ILE A 50 -9.123 1.531 7.290 1.00 0.00 N ATOM 800 CA ILE A 50 -7.881 2.273 7.417 1.00 0.00 C ATOM 801 C ILE A 50 -8.149 3.700 6.940 1.00 0.00 C ATOM 802 O ILE A 50 -8.263 3.914 5.752 1.00 0.00 O ATOM 803 CB ILE A 50 -6.808 1.663 6.508 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.137 0.199 6.213 1.00 0.00 C ATOM 805 CG2 ILE A 50 -5.443 1.752 7.189 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.057 -0.616 7.503 1.00 0.00 C ATOM 0 H ILE A 50 -9.524 1.528 6.352 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.537 2.247 8.451 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.784 2.219 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.135 0.120 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.440 -0.199 5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.683 1.317 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.200 2.797 7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.470 1.205 8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.292 -1.659 7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.050 -0.548 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.772 -0.224 8.226 1.00 0.00 H new ATOM 818 N LYS A 51 -8.251 4.700 7.795 1.00 0.00 N ATOM 819 CA LYS A 51 -8.511 6.005 7.216 1.00 0.00 C ATOM 820 C LYS A 51 -7.579 7.088 7.722 1.00 0.00 C ATOM 821 O LYS A 51 -7.737 7.655 8.785 1.00 0.00 O ATOM 822 CB LYS A 51 -9.937 6.443 7.509 1.00 0.00 C ATOM 823 CG LYS A 51 -10.313 7.550 6.518 1.00 0.00 C ATOM 824 CD LYS A 51 -9.936 7.138 5.087 1.00 0.00 C ATOM 825 CE LYS A 51 -10.315 5.674 4.842 1.00 0.00 C ATOM 826 NZ LYS A 51 -11.791 5.554 4.722 1.00 0.00 N ATOM 0 H LYS A 51 -8.167 4.649 8.810 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.344 5.885 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.621 5.599 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.020 6.806 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.383 7.751 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.801 8.475 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.448 7.779 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.866 7.276 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.836 5.311 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.955 5.053 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.024 4.841 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.191 5.265 5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.192 6.472 4.443 1.00 0.00 H new ATOM 840 N CYS A 52 -6.655 7.409 6.888 1.00 0.00 N ATOM 841 CA CYS A 52 -5.722 8.465 7.133 1.00 0.00 C ATOM 842 C CYS A 52 -4.712 8.379 6.012 1.00 0.00 C ATOM 843 O CYS A 52 -4.375 7.291 5.605 1.00 0.00 O ATOM 844 CB CYS A 52 -5.050 8.260 8.461 1.00 0.00 C ATOM 845 SG CYS A 52 -5.784 9.360 9.697 1.00 0.00 S ATOM 0 H CYS A 52 -6.518 6.937 5.994 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.207 9.441 7.163 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.156 7.222 8.776 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.982 8.459 8.373 1.00 0.00 H new ATOM 0 HG CYS A 52 -7.038 9.058 9.857 1.00 0.00 H new ATOM 851 N GLN A 53 -4.253 9.451 5.468 1.00 0.00 N ATOM 852 CA GLN A 53 -3.340 9.286 4.358 1.00 0.00 C ATOM 853 C GLN A 53 -2.242 10.329 4.393 1.00 0.00 C ATOM 854 O GLN A 53 -2.456 11.525 4.376 1.00 0.00 O ATOM 855 CB GLN A 53 -4.113 9.414 3.045 1.00 0.00 C ATOM 856 CG GLN A 53 -4.796 8.083 2.724 1.00 0.00 C ATOM 857 CD GLN A 53 -4.502 7.692 1.274 1.00 0.00 C ATOM 858 OE1 GLN A 53 -3.758 8.366 0.589 1.00 0.00 O ATOM 859 NE2 GLN A 53 -5.059 6.623 0.773 1.00 0.00 N ATOM 0 H GLN A 53 -4.470 10.409 5.743 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.882 8.300 4.434 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.857 10.207 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.436 9.692 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.438 7.307 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.872 8.168 2.877 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.684 6.057 1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.870 6.354 -0.193 1.00 0.00 H new ATOM 868 N LYS A 54 -1.047 9.817 4.465 1.00 0.00 N ATOM 869 CA LYS A 54 0.138 10.627 4.531 1.00 0.00 C ATOM 870 C LYS A 54 1.012 10.297 3.323 1.00 0.00 C ATOM 871 O LYS A 54 1.527 9.202 3.211 1.00 0.00 O ATOM 872 CB LYS A 54 0.884 10.237 5.808 1.00 0.00 C ATOM 873 CG LYS A 54 1.079 11.455 6.701 1.00 0.00 C ATOM 874 CD LYS A 54 2.060 12.426 6.042 1.00 0.00 C ATOM 875 CE LYS A 54 1.669 13.863 6.393 1.00 0.00 C ATOM 876 NZ LYS A 54 2.862 14.746 6.267 1.00 0.00 N ATOM 0 H LYS A 54 -0.865 8.814 4.480 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.104 11.690 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.324 9.471 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.852 9.805 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.123 11.949 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.457 11.147 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.075 12.221 6.382 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.052 12.290 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.876 14.208 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.276 13.907 7.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.597 15.723 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.605 14.420 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.217 14.712 5.290 1.00 0.00 H new ATOM 988 N LYS A 62 12.407 7.860 -2.141 1.00 0.00 N ATOM 989 CA LYS A 62 11.814 7.036 -3.159 1.00 0.00 C ATOM 990 C LYS A 62 10.304 7.087 -3.010 1.00 0.00 C ATOM 991 O LYS A 62 9.645 7.933 -3.579 1.00 0.00 O ATOM 992 CB LYS A 62 12.310 5.591 -3.083 1.00 0.00 C ATOM 993 CG LYS A 62 12.713 5.269 -1.653 1.00 0.00 C ATOM 994 CD LYS A 62 14.152 5.686 -1.391 1.00 0.00 C ATOM 995 CE LYS A 62 15.003 4.447 -1.115 1.00 0.00 C ATOM 996 NZ LYS A 62 16.170 4.825 -0.270 1.00 0.00 N ATOM 0 HA LYS A 62 12.108 7.421 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.527 4.909 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.159 5.451 -3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.048 5.783 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.600 4.200 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.547 6.226 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.195 6.366 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.406 3.687 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.346 4.012 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.750 3.982 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.743 5.536 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.833 5.221 0.630 1.00 0.00 H new ATOM 1010 N ILE A 63 9.747 6.168 -2.293 1.00 0.00 N ATOM 1011 CA ILE A 63 8.297 6.145 -2.176 1.00 0.00 C ATOM 1012 C ILE A 63 7.770 5.532 -0.848 1.00 0.00 C ATOM 1013 O ILE A 63 7.412 4.382 -0.754 1.00 0.00 O ATOM 1014 CB ILE A 63 7.677 5.470 -3.403 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.601 3.955 -3.236 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.537 5.756 -4.639 1.00 0.00 C ATOM 1017 CD1 ILE A 63 9.012 3.379 -3.268 1.00 0.00 C ATOM 0 H ILE A 63 10.243 5.435 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 63 7.976 7.186 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 63 6.670 5.872 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.114 3.704 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.998 3.519 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.093 5.274 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.588 6.832 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.542 5.365 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.966 2.296 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.482 3.620 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.599 3.808 -2.456 1.00 0.00 H new ATOM 1029 N GLN A 64 7.696 6.314 0.182 1.00 0.00 N ATOM 1030 CA GLN A 64 7.167 5.790 1.432 1.00 0.00 C ATOM 1031 C GLN A 64 5.795 6.420 1.667 1.00 0.00 C ATOM 1032 O GLN A 64 5.648 7.626 1.670 1.00 0.00 O ATOM 1033 CB GLN A 64 8.079 6.105 2.614 1.00 0.00 C ATOM 1034 CG GLN A 64 8.819 7.420 2.377 1.00 0.00 C ATOM 1035 CD GLN A 64 10.207 7.129 1.804 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.447 7.373 0.545 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 11.084 6.674 2.510 1.00 0.00 N flip ATOM 0 H GLN A 64 7.982 7.293 0.200 1.00 0.00 H new ATOM 0 HA GLN A 64 7.097 4.705 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.490 6.171 3.529 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.796 5.296 2.754 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.254 8.048 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.909 7.973 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.898 6.483 3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.006 6.483 2.119 1.00 0.00 H new ATOM 1046 N LEU A 65 4.784 5.617 1.846 1.00 0.00 N ATOM 1047 CA LEU A 65 3.459 6.173 2.044 1.00 0.00 C ATOM 1048 C LEU A 65 2.956 5.885 3.468 1.00 0.00 C ATOM 1049 O LEU A 65 3.518 5.071 4.181 1.00 0.00 O ATOM 1050 CB LEU A 65 2.486 5.618 0.983 1.00 0.00 C ATOM 1051 CG LEU A 65 2.543 4.081 0.881 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.773 3.630 0.093 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.589 3.459 2.264 1.00 0.00 C ATOM 0 H LEU A 65 4.839 4.599 1.860 1.00 0.00 H new ATOM 0 HA LEU A 65 3.511 7.255 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.470 5.926 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.724 6.053 0.012 1.00 0.00 H new ATOM 0 HG LEU A 65 1.644 3.752 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.789 2.542 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.733 4.046 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.675 3.981 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.629 2.373 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.475 3.812 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.697 3.744 2.821 1.00 0.00 H new ATOM 1065 N GLN A 66 1.906 6.550 3.893 1.00 0.00 N ATOM 1066 CA GLN A 66 1.399 6.323 5.238 1.00 0.00 C ATOM 1067 C GLN A 66 -0.137 6.396 5.268 1.00 0.00 C ATOM 1068 O GLN A 66 -0.753 7.271 4.691 1.00 0.00 O ATOM 1069 CB GLN A 66 1.976 7.374 6.187 1.00 0.00 C ATOM 1070 CG GLN A 66 2.852 6.687 7.237 1.00 0.00 C ATOM 1071 CD GLN A 66 3.561 7.746 8.083 1.00 0.00 C ATOM 1072 OE1 GLN A 66 3.275 7.896 9.254 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.480 8.493 7.535 1.00 0.00 N ATOM 0 H GLN A 66 1.392 7.239 3.345 1.00 0.00 H new ATOM 0 HA GLN A 66 1.704 5.326 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.564 8.101 5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.169 7.922 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.241 6.047 7.874 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.586 6.045 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.720 8.367 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.958 9.203 8.090 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.737 5.455 5.940 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.182 5.392 6.041 1.00 0.00 C ATOM 1084 C LEU A 67 -2.527 5.063 7.486 1.00 0.00 C ATOM 1085 O LEU A 67 -1.928 4.192 8.078 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.706 4.279 5.124 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.059 4.680 4.530 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.319 3.873 3.257 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.169 4.392 5.544 1.00 0.00 C ATOM 0 H LEU A 67 -0.248 4.709 6.434 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.633 6.338 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.991 4.090 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.808 3.351 5.687 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.047 5.744 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.282 4.159 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.531 4.074 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.329 2.810 3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.132 4.678 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.178 3.328 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.988 4.965 6.454 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.472 5.732 8.078 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.771 5.395 9.460 1.00 0.00 C ATOM 1103 C VAL A 68 -5.115 4.711 9.568 1.00 0.00 C ATOM 1104 O VAL A 68 -5.985 4.825 8.729 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.747 6.615 10.386 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.502 6.170 11.821 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.604 7.520 10.003 1.00 0.00 C ATOM 0 H VAL A 68 -4.030 6.478 7.663 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.983 4.715 9.784 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.703 7.132 10.297 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.486 7.042 12.475 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.300 5.496 12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.545 5.652 11.883 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.589 8.387 10.663 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.663 6.977 10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.732 7.851 8.972 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.256 3.987 10.616 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.462 3.253 10.871 1.00 0.00 C ATOM 1119 C LEU A 69 -7.471 4.175 11.546 1.00 0.00 C ATOM 1120 O LEU A 69 -7.092 5.038 12.313 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.110 2.108 11.825 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.292 1.027 11.100 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.211 0.175 10.264 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.241 1.638 10.175 1.00 0.00 C ATOM 0 H LEU A 69 -4.539 3.879 11.333 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.888 2.868 9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.542 2.495 12.671 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.023 1.670 12.228 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.789 0.432 11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.630 -0.591 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.951 -0.301 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.718 0.800 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.684 0.842 9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.733 2.257 9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.555 2.252 10.759 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.754 3.993 11.308 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.728 4.838 11.986 1.00 0.00 C ATOM 1138 C HIS A 70 -9.312 4.845 13.459 1.00 0.00 C ATOM 1139 O HIS A 70 -9.350 5.840 14.154 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.128 4.228 11.862 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.712 4.541 10.513 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.659 5.537 10.331 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.511 3.984 9.275 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -12.991 5.546 9.028 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.321 4.620 8.339 1.00 0.00 N ATOM 0 H HIS A 70 -9.142 3.294 10.674 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.755 5.840 11.558 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.076 3.148 12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.775 4.621 12.647 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.828 3.175 9.060 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.713 6.221 8.592 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.388 4.421 7.341 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.878 3.693 13.887 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.406 3.521 15.241 1.00 0.00 C ATOM 1155 C ALA A 71 -7.101 4.307 15.401 1.00 0.00 C ATOM 1156 O ALA A 71 -6.880 5.301 14.737 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.151 2.038 15.514 1.00 0.00 C ATOM 0 H ALA A 71 -8.839 2.849 13.315 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.152 3.885 15.947 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.795 1.912 16.537 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.077 1.479 15.381 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.399 1.664 14.819 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.255 3.891 16.296 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.008 4.613 16.527 1.00 0.00 C ATOM 1165 C GLY A 72 -3.851 3.777 16.004 1.00 0.00 C ATOM 1166 O GLY A 72 -2.898 3.476 16.696 1.00 0.00 O ATOM 0 H GLY A 72 -6.390 3.066 16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.033 5.579 16.023 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.879 4.812 17.591 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.975 3.375 14.788 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.961 2.538 14.201 1.00 0.00 C ATOM 1172 C ASP A 73 -2.526 3.124 12.878 1.00 0.00 C ATOM 1173 O ASP A 73 -3.312 3.662 12.139 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.521 1.129 14.000 1.00 0.00 C ATOM 1175 CG ASP A 73 -2.595 0.329 13.080 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -1.420 0.653 13.029 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -3.075 -0.595 12.446 1.00 0.00 O ATOM 0 H ASP A 73 -4.758 3.604 14.176 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.097 2.485 14.863 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.617 0.625 14.962 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.520 1.183 13.568 1.00 0.00 H new ATOM 1182 N THR A 74 -1.267 3.034 12.591 1.00 0.00 N ATOM 1183 CA THR A 74 -0.778 3.585 11.355 1.00 0.00 C ATOM 1184 C THR A 74 -0.417 2.449 10.416 1.00 0.00 C ATOM 1185 O THR A 74 -0.158 1.337 10.831 1.00 0.00 O ATOM 1186 CB THR A 74 0.459 4.447 11.617 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.416 4.942 12.949 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.481 5.619 10.633 1.00 0.00 C ATOM 0 H THR A 74 -0.562 2.592 13.182 1.00 0.00 H new ATOM 0 HA THR A 74 -1.551 4.207 10.905 1.00 0.00 H new ATOM 0 HB THR A 74 1.358 3.846 11.483 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.208 5.493 13.119 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.362 6.234 10.819 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.514 5.237 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.417 6.222 10.766 1.00 0.00 H new ATOM 1196 N THR A 75 -0.369 2.731 9.155 1.00 0.00 N ATOM 1197 CA THR A 75 -0.006 1.731 8.193 1.00 0.00 C ATOM 1198 C THR A 75 1.030 2.389 7.290 1.00 0.00 C ATOM 1199 O THR A 75 0.699 3.214 6.462 1.00 0.00 O ATOM 1200 CB THR A 75 -1.234 1.329 7.371 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.128 0.585 8.188 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.796 0.473 6.182 1.00 0.00 C ATOM 0 H THR A 75 -0.577 3.649 8.761 1.00 0.00 H new ATOM 0 HA THR A 75 0.383 0.831 8.669 1.00 0.00 H new ATOM 0 HB THR A 75 -1.736 2.225 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.915 0.329 7.663 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.671 0.187 5.598 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.111 1.044 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.293 -0.424 6.545 1.00 0.00 H new ATOM 1210 N ASN A 76 2.278 2.066 7.446 1.00 0.00 N ATOM 1211 CA ASN A 76 3.278 2.701 6.620 1.00 0.00 C ATOM 1212 C ASN A 76 3.830 1.683 5.638 1.00 0.00 C ATOM 1213 O ASN A 76 3.961 0.516 5.948 1.00 0.00 O ATOM 1214 CB ASN A 76 4.411 3.231 7.501 1.00 0.00 C ATOM 1215 CG ASN A 76 3.837 4.179 8.556 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.695 4.049 8.949 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.587 5.134 9.034 1.00 0.00 N ATOM 0 H ASN A 76 2.630 1.384 8.118 1.00 0.00 H new ATOM 0 HA ASN A 76 2.830 3.532 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.928 2.402 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.147 3.753 6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.214 5.771 9.738 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.546 5.243 8.704 1.00 0.00 H new ATOM 1224 N PHE A 77 4.168 2.108 4.459 1.00 0.00 N ATOM 1225 CA PHE A 77 4.707 1.169 3.506 1.00 0.00 C ATOM 1226 C PHE A 77 5.669 1.875 2.549 1.00 0.00 C ATOM 1227 O PHE A 77 5.516 3.030 2.207 1.00 0.00 O ATOM 1228 CB PHE A 77 3.578 0.469 2.752 1.00 0.00 C ATOM 1229 CG PHE A 77 3.621 -0.991 3.104 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.849 -1.646 3.126 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.450 -1.688 3.418 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.920 -2.990 3.457 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.518 -3.041 3.748 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.762 -3.689 3.766 1.00 0.00 C ATOM 0 H PHE A 77 4.086 3.071 4.133 1.00 0.00 H new ATOM 0 HA PHE A 77 5.272 0.406 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.614 0.899 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.695 0.606 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.751 -1.104 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.497 -1.180 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.876 -3.493 3.474 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.618 -3.587 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.819 -4.737 4.022 1.00 0.00 H new ATOM 1244 N HIS A 78 6.709 1.183 2.207 1.00 0.00 N ATOM 1245 CA HIS A 78 7.744 1.776 1.384 1.00 0.00 C ATOM 1246 C HIS A 78 8.351 0.757 0.414 1.00 0.00 C ATOM 1247 O HIS A 78 8.140 -0.425 0.522 1.00 0.00 O ATOM 1248 CB HIS A 78 8.847 2.318 2.297 1.00 0.00 C ATOM 1249 CG HIS A 78 9.915 2.917 1.446 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.947 2.148 0.961 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.116 4.181 0.931 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.702 2.933 0.197 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.244 4.176 0.153 1.00 0.00 N ATOM 0 H HIS A 78 6.874 0.213 2.476 1.00 0.00 H new ATOM 0 HA HIS A 78 7.297 2.576 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.441 3.066 2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.257 1.517 2.912 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.104 1.158 1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.485 5.038 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.585 2.597 -0.326 1.00 0.00 H new ATOM 1261 N PHE A 79 9.093 1.239 -0.547 1.00 0.00 N ATOM 1262 CA PHE A 79 9.721 0.360 -1.522 1.00 0.00 C ATOM 1263 C PHE A 79 11.061 0.969 -1.971 1.00 0.00 C ATOM 1264 O PHE A 79 11.143 2.163 -2.173 1.00 0.00 O ATOM 1265 CB PHE A 79 8.863 0.279 -2.765 1.00 0.00 C ATOM 1266 CG PHE A 79 7.380 0.209 -2.478 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.703 1.317 -1.941 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.665 -0.921 -2.869 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.306 1.283 -1.796 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.283 -0.965 -2.700 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.604 0.133 -2.172 1.00 0.00 C ATOM 0 H PHE A 79 9.283 2.232 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 79 9.854 -0.620 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.062 1.149 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.154 -0.600 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.256 2.194 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.183 -1.763 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.779 2.137 -1.398 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.735 -1.853 -2.979 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.531 0.095 -2.053 1.00 0.00 H new ATOM 1346 N ALA A 85 12.722 1.082 -7.681 1.00 0.00 N ATOM 1347 CA ALA A 85 12.136 1.871 -6.610 1.00 0.00 C ATOM 1348 C ALA A 85 11.268 3.070 -7.054 1.00 0.00 C ATOM 1349 O ALA A 85 11.039 3.947 -6.246 1.00 0.00 O ATOM 1350 CB ALA A 85 13.261 2.406 -5.730 1.00 0.00 C ATOM 0 HA ALA A 85 11.462 1.191 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.838 3.001 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.824 1.572 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.926 3.028 -6.328 1.00 0.00 H new ATOM 1356 N VAL A 86 10.781 3.194 -8.265 1.00 0.00 N ATOM 1357 CA VAL A 86 9.991 4.388 -8.563 1.00 0.00 C ATOM 1358 C VAL A 86 8.632 4.037 -9.218 1.00 0.00 C ATOM 1359 O VAL A 86 7.584 4.274 -8.643 1.00 0.00 O ATOM 1360 CB VAL A 86 10.782 5.282 -9.517 1.00 0.00 C ATOM 1361 CG1 VAL A 86 10.266 6.719 -9.417 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.264 5.246 -9.139 1.00 0.00 C ATOM 0 H VAL A 86 10.901 2.530 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 86 9.790 4.899 -7.622 1.00 0.00 H new ATOM 0 HB VAL A 86 10.658 4.922 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.830 7.356 -10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.210 6.746 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.389 7.080 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.829 5.884 -9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.388 5.606 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.633 4.223 -9.210 1.00 0.00 H new ATOM 1372 N LYS A 87 8.635 3.497 -10.414 1.00 0.00 N ATOM 1373 CA LYS A 87 7.378 3.168 -11.110 1.00 0.00 C ATOM 1374 C LYS A 87 6.482 2.157 -10.338 1.00 0.00 C ATOM 1375 O LYS A 87 5.345 2.438 -10.004 1.00 0.00 O ATOM 1376 CB LYS A 87 7.725 2.563 -12.472 1.00 0.00 C ATOM 1377 CG LYS A 87 7.519 3.613 -13.567 1.00 0.00 C ATOM 1378 CD LYS A 87 6.970 2.939 -14.826 1.00 0.00 C ATOM 1379 CE LYS A 87 5.880 3.817 -15.443 1.00 0.00 C ATOM 1380 NZ LYS A 87 4.959 2.971 -16.252 1.00 0.00 N ATOM 0 H LYS A 87 9.481 3.271 -10.937 1.00 0.00 H new ATOM 0 HA LYS A 87 6.810 4.094 -11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.759 2.217 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.097 1.693 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.827 4.382 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.463 4.110 -13.790 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.773 2.779 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.564 1.958 -14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.324 4.330 -14.658 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.330 4.586 -16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.218 3.568 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.495 2.501 -17.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.520 2.253 -15.641 1.00 0.00 H new ATOM 1394 N GLU A 88 6.961 0.956 -10.164 1.00 0.00 N ATOM 1395 CA GLU A 88 6.157 -0.111 -9.544 1.00 0.00 C ATOM 1396 C GLU A 88 5.250 0.447 -8.444 1.00 0.00 C ATOM 1397 O GLU A 88 4.039 0.558 -8.602 1.00 0.00 O ATOM 1398 CB GLU A 88 7.083 -1.168 -8.911 1.00 0.00 C ATOM 1399 CG GLU A 88 8.347 -1.313 -9.732 1.00 0.00 C ATOM 1400 CD GLU A 88 8.689 -2.795 -9.899 1.00 0.00 C ATOM 1401 OE1 GLU A 88 8.368 -3.561 -9.005 1.00 0.00 O ATOM 1402 OE2 GLU A 88 9.267 -3.138 -10.917 1.00 0.00 O ATOM 0 H GLU A 88 7.902 0.672 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 88 5.544 -0.557 -10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.334 -0.878 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.567 -2.126 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.212 -0.849 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.171 -0.793 -9.243 1.00 0.00 H new ATOM 1409 N ARG A 89 5.801 0.796 -7.333 1.00 0.00 N ATOM 1410 CA ARG A 89 4.950 1.313 -6.294 1.00 0.00 C ATOM 1411 C ARG A 89 4.427 2.666 -6.732 1.00 0.00 C ATOM 1412 O ARG A 89 3.417 3.119 -6.236 1.00 0.00 O ATOM 1413 CB ARG A 89 5.651 1.423 -4.940 1.00 0.00 C ATOM 1414 CG ARG A 89 7.148 1.538 -5.118 1.00 0.00 C ATOM 1415 CD ARG A 89 7.445 2.759 -5.952 1.00 0.00 C ATOM 1416 NE ARG A 89 7.943 2.375 -7.248 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.896 1.505 -7.395 1.00 0.00 C ATOM 1418 NH1 ARG A 89 9.502 0.968 -6.374 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.280 1.206 -8.595 1.00 0.00 N ATOM 0 H ARG A 89 6.796 0.741 -7.115 1.00 0.00 H new ATOM 0 HA ARG A 89 4.131 0.609 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.276 2.293 -4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.419 0.548 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.639 1.615 -4.148 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.540 0.644 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.541 3.358 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.180 3.384 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 89 7.533 2.801 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.231 1.228 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.247 0.287 -6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.836 1.651 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.027 0.526 -8.737 1.00 0.00 H new ATOM 1433 N ASP A 90 5.097 3.328 -7.664 1.00 0.00 N ATOM 1434 CA ASP A 90 4.585 4.626 -8.098 1.00 0.00 C ATOM 1435 C ASP A 90 3.093 4.436 -8.295 1.00 0.00 C ATOM 1436 O ASP A 90 2.283 5.089 -7.673 1.00 0.00 O ATOM 1437 CB ASP A 90 5.220 5.077 -9.410 1.00 0.00 C ATOM 1438 CG ASP A 90 5.947 6.406 -9.196 1.00 0.00 C ATOM 1439 OD1 ASP A 90 6.158 6.766 -8.050 1.00 0.00 O ATOM 1440 OD2 ASP A 90 6.280 7.042 -10.183 1.00 0.00 O ATOM 0 H ASP A 90 5.954 3.012 -8.117 1.00 0.00 H new ATOM 0 HA ASP A 90 4.817 5.392 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.920 4.321 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.454 5.189 -10.177 1.00 0.00 H new ATOM 1445 N ALA A 91 2.731 3.487 -9.109 1.00 0.00 N ATOM 1446 CA ALA A 91 1.335 3.201 -9.288 1.00 0.00 C ATOM 1447 C ALA A 91 0.761 2.832 -7.914 1.00 0.00 C ATOM 1448 O ALA A 91 -0.206 3.413 -7.467 1.00 0.00 O ATOM 1449 CB ALA A 91 1.175 2.021 -10.250 1.00 0.00 C ATOM 0 H ALA A 91 3.370 2.906 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 91 0.812 4.062 -9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.116 1.804 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.620 2.273 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.675 1.145 -9.837 1.00 0.00 H new ATOM 1455 N VAL A 92 1.364 1.864 -7.245 1.00 0.00 N ATOM 1456 CA VAL A 92 0.866 1.458 -5.924 1.00 0.00 C ATOM 1457 C VAL A 92 0.434 2.691 -5.129 1.00 0.00 C ATOM 1458 O VAL A 92 -0.726 2.865 -4.802 1.00 0.00 O ATOM 1459 CB VAL A 92 1.961 0.749 -5.124 1.00 0.00 C ATOM 1460 CG1 VAL A 92 1.492 0.561 -3.678 1.00 0.00 C ATOM 1461 CG2 VAL A 92 2.256 -0.621 -5.727 1.00 0.00 C ATOM 0 H VAL A 92 2.180 1.350 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 92 0.024 0.783 -6.080 1.00 0.00 H new ATOM 0 HB VAL A 92 2.865 1.357 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.270 0.056 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.288 1.534 -3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.584 -0.042 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.037 -1.113 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.352 -1.229 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.590 -0.501 -6.757 1.00 0.00 H new ATOM 1471 N LYS A 93 1.355 3.563 -4.831 1.00 0.00 N ATOM 1472 CA LYS A 93 0.992 4.750 -4.104 1.00 0.00 C ATOM 1473 C LYS A 93 -0.055 5.477 -4.940 1.00 0.00 C ATOM 1474 O LYS A 93 -1.120 5.842 -4.452 1.00 0.00 O ATOM 1475 CB LYS A 93 2.245 5.609 -3.873 1.00 0.00 C ATOM 1476 CG LYS A 93 1.875 7.086 -3.733 1.00 0.00 C ATOM 1477 CD LYS A 93 2.937 7.794 -2.884 1.00 0.00 C ATOM 1478 CE LYS A 93 3.348 9.100 -3.567 1.00 0.00 C ATOM 1479 NZ LYS A 93 4.021 8.794 -4.861 1.00 0.00 N ATOM 0 H LYS A 93 2.342 3.480 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 93 0.578 4.521 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.761 5.272 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.937 5.481 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.809 7.551 -4.716 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.895 7.185 -3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.544 8.000 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.806 7.148 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.471 9.724 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.019 9.665 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.729 9.528 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.490 7.868 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.314 8.772 -5.623 1.00 0.00 H new ATOM 1493 N ASP A 94 0.227 5.630 -6.217 1.00 0.00 N ATOM 1494 CA ASP A 94 -0.711 6.268 -7.121 1.00 0.00 C ATOM 1495 C ASP A 94 -2.108 5.700 -6.894 1.00 0.00 C ATOM 1496 O ASP A 94 -3.092 6.331 -7.217 1.00 0.00 O ATOM 1497 CB ASP A 94 -0.303 6.010 -8.572 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.957 7.055 -9.478 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -1.771 7.815 -8.981 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.631 7.077 -10.654 1.00 0.00 O ATOM 0 H ASP A 94 1.096 5.322 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.708 7.341 -6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.782 6.056 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.608 5.008 -8.874 1.00 0.00 H new ATOM 1505 N LEU A 95 -2.222 4.543 -6.292 1.00 0.00 N ATOM 1506 CA LEU A 95 -3.536 4.024 -6.016 1.00 0.00 C ATOM 1507 C LEU A 95 -3.924 4.557 -4.649 1.00 0.00 C ATOM 1508 O LEU A 95 -5.026 5.012 -4.449 1.00 0.00 O ATOM 1509 CB LEU A 95 -3.526 2.497 -5.984 1.00 0.00 C ATOM 1510 CG LEU A 95 -2.502 1.966 -6.980 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -2.734 0.472 -7.183 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -2.660 2.691 -8.320 1.00 0.00 C ATOM 0 H LEU A 95 -1.444 3.957 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.240 4.329 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.286 2.147 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.517 2.113 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.496 2.137 -6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.005 0.084 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.623 -0.046 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.740 0.309 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.926 2.309 -9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.664 2.521 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.503 3.760 -8.176 1.00 0.00 H new ATOM 1524 N LEU A 96 -3.005 4.508 -3.707 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.279 5.013 -2.369 1.00 0.00 C ATOM 1526 C LEU A 96 -4.154 6.274 -2.468 1.00 0.00 C ATOM 1527 O LEU A 96 -5.291 6.306 -2.022 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.952 5.402 -1.686 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.147 4.173 -1.209 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.461 4.530 0.105 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -2.066 2.968 -0.986 1.00 0.00 C ATOM 0 H LEU A 96 -2.068 4.128 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.790 4.241 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.345 5.981 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.162 6.047 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.415 3.908 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.114 3.674 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.208 5.376 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.213 4.795 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.474 2.116 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.810 3.213 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.568 2.716 -1.920 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.611 7.318 -3.041 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.374 8.564 -3.152 1.00 0.00 C ATOM 1545 C GLN A 97 -5.517 8.422 -4.158 1.00 0.00 C ATOM 1546 O GLN A 97 -6.295 9.331 -4.365 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.487 9.720 -3.590 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.956 9.488 -5.001 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.458 9.225 -4.927 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -1.050 7.998 -4.909 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -0.661 10.141 -4.886 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.670 7.346 -3.433 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.779 8.773 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.052 10.651 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.654 9.829 -2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.465 8.641 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.156 10.358 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.992 11.106 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.339 9.945 -4.837 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.626 7.291 -4.769 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.689 7.069 -5.729 1.00 0.00 C ATOM 1562 C GLN A 98 -7.824 6.274 -5.066 1.00 0.00 C ATOM 1563 O GLN A 98 -8.975 6.397 -5.436 1.00 0.00 O ATOM 1564 CB GLN A 98 -6.138 6.284 -6.919 1.00 0.00 C ATOM 1565 CG GLN A 98 -7.049 6.482 -8.132 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.074 5.199 -8.965 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -6.742 5.213 -10.134 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -7.456 4.082 -8.408 1.00 0.00 N ATOM 0 H GLN A 98 -5.000 6.498 -4.631 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.077 8.028 -6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.127 6.620 -7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.073 5.225 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -8.057 6.736 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.691 7.315 -8.737 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.735 4.071 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.476 3.221 -8.954 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.513 5.460 -4.087 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.554 4.686 -3.425 1.00 0.00 C ATOM 1579 C LEU A 99 -9.152 5.517 -2.288 1.00 0.00 C ATOM 1580 O LEU A 99 -10.308 5.372 -1.951 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.980 3.388 -2.844 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.738 2.960 -3.615 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.534 3.211 -2.732 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.805 1.471 -3.930 1.00 0.00 C ATOM 0 H LEU A 99 -6.569 5.312 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.321 4.435 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.730 3.533 -1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.732 2.600 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.670 3.521 -4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.628 2.913 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.478 4.271 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.628 2.630 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.912 1.175 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.862 0.905 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.689 1.266 -4.534 1.00 0.00 H new ATOM 1596 N LEU A 100 -8.358 6.359 -1.677 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.843 7.169 -0.566 1.00 0.00 C ATOM 1598 C LEU A 100 -10.247 7.662 -0.894 1.00 0.00 C ATOM 1599 O LEU A 100 -11.125 7.675 -0.054 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.915 8.367 -0.352 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.536 8.461 1.126 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -6.766 9.760 1.374 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -8.806 8.454 1.978 1.00 0.00 C ATOM 0 H LEU A 100 -7.379 6.508 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.862 6.570 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.018 8.259 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.409 9.285 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.911 7.610 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.496 9.827 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.861 9.768 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.392 10.611 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.537 8.521 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.430 9.306 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.357 7.530 1.802 1.00 0.00 H new ATOM 1615 N PRO A 101 -10.403 8.025 -2.131 1.00 0.00 N ATOM 1616 CA PRO A 101 -11.719 8.497 -2.609 1.00 0.00 C ATOM 1617 C PRO A 101 -12.766 7.371 -2.559 1.00 0.00 C ATOM 1618 O PRO A 101 -13.920 7.589 -2.249 1.00 0.00 O ATOM 1619 CB PRO A 101 -11.444 8.906 -4.054 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.941 9.183 -4.172 1.00 0.00 C ATOM 1621 CD PRO A 101 -9.281 8.458 -3.005 1.00 0.00 C ATOM 0 HA PRO A 101 -12.122 9.306 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.744 8.115 -4.741 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.020 9.793 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.552 8.822 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.738 10.253 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.699 7.604 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.596 9.115 -2.470 1.00 0.00 H new ATOM 1629 N LYS A 102 -12.359 6.178 -2.875 1.00 0.00 N ATOM 1630 CA LYS A 102 -13.263 5.036 -2.875 1.00 0.00 C ATOM 1631 C LYS A 102 -14.051 4.940 -1.564 1.00 0.00 C ATOM 1632 O LYS A 102 -15.256 4.785 -1.555 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.415 3.773 -3.003 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.293 2.528 -2.900 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.591 1.354 -3.589 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.610 0.549 -4.397 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.895 0.480 -3.647 1.00 0.00 N ATOM 0 H LYS A 102 -11.400 5.956 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.969 5.149 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.889 3.776 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.656 3.756 -2.221 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.484 2.289 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.261 2.712 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.802 1.723 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.115 0.715 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.769 1.015 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.231 -0.456 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.409 -0.383 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.700 0.462 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.475 1.313 -3.874 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.361 4.972 -0.465 1.00 0.00 N ATOM 1652 CA PHE A 103 -14.010 4.823 0.832 1.00 0.00 C ATOM 1653 C PHE A 103 -13.974 6.156 1.580 1.00 0.00 C ATOM 1654 O PHE A 103 -14.483 6.275 2.676 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.256 3.753 1.649 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.831 3.763 1.181 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.465 3.009 0.064 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.903 4.594 1.806 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -10.166 3.086 -0.432 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.596 4.662 1.322 1.00 0.00 C ATOM 1661 CZ PHE A 103 -9.228 3.913 0.198 1.00 0.00 C ATOM 0 H PHE A 103 -12.350 5.099 -0.424 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.047 4.519 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.313 3.972 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.703 2.770 1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.189 2.366 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.195 5.184 2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.883 2.509 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.869 5.292 1.814 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.219 3.973 -0.184 1.00 0.00 H new