USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=11 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 66 GLN : amide:sc= -2.63! C(o=-12!,f=-11!) USER MOD Set 1.2: A 76 ASN : amide:sc= -9.07! C(o=-12!,f=-11!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.162) USER MOD Single : A 17 GLN : amide:sc= -16.4! C(o=-16!,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= -1.64! C(o=-1.6!,f=-6.6!) USER MOD Single : A 25 TYR OH : rot 160:sc= -0.931 USER MOD Single : A 27 MET CE :methyl -134:sc= -0.0132 (180deg=-1.22) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= -13.3! C(o=-13!,f=-9.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -50:sc= -3.67! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 68:sc= -1.88! USER MOD Single : A 53 GLN : amide:sc= -0.862 K(o=-0.86,f=-5.2!) 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 64 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.1) USER MOD Single : A 70 HIS : no HD1:sc= -6.38! C(o=-6.4!,f=-7.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -140:sc= -4.1! USER MOD Single : A 78 HIS : no HE2:sc= -21.5! C(o=-22!,f=-27!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -27.9! C(o=-28!,f=-20!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -9.372 -6.465 -6.984 1.00 0.00 N ATOM 97 CA VAL A 8 -8.146 -5.935 -6.425 1.00 0.00 C ATOM 98 C VAL A 8 -7.398 -5.167 -7.512 1.00 0.00 C ATOM 99 O VAL A 8 -7.601 -5.381 -8.691 1.00 0.00 O ATOM 100 CB VAL A 8 -7.283 -7.100 -5.926 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.195 -8.172 -7.012 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.874 -6.604 -5.599 1.00 0.00 C ATOM 0 HA VAL A 8 -8.368 -5.265 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.738 -7.518 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.581 -9.000 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.195 -8.536 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.745 -7.746 -7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.268 -7.438 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.420 -6.180 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.928 -5.840 -4.823 1.00 0.00 H new ATOM 112 N LEU A 9 -6.583 -4.227 -7.123 1.00 0.00 N ATOM 113 CA LEU A 9 -5.901 -3.414 -8.114 1.00 0.00 C ATOM 114 C LEU A 9 -4.453 -3.871 -8.379 1.00 0.00 C ATOM 115 O LEU A 9 -4.067 -3.996 -9.525 1.00 0.00 O ATOM 116 CB LEU A 9 -5.893 -1.959 -7.645 1.00 0.00 C ATOM 117 CG LEU A 9 -5.263 -1.074 -8.723 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.836 -1.441 -10.094 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.575 0.392 -8.419 1.00 0.00 C ATOM 0 H LEU A 9 -6.372 -4.001 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.446 -3.523 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.911 -1.628 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.333 -1.870 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.184 -1.227 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.385 -0.808 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.617 -2.486 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.916 -1.290 -10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.128 1.026 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.655 0.540 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.165 0.657 -7.444 1.00 0.00 H new ATOM 131 N LEU A 10 -3.622 -4.107 -7.390 1.00 0.00 N ATOM 132 CA LEU A 10 -2.267 -4.510 -7.736 1.00 0.00 C ATOM 133 C LEU A 10 -1.596 -5.252 -6.582 1.00 0.00 C ATOM 134 O LEU A 10 -2.074 -5.258 -5.466 1.00 0.00 O ATOM 135 CB LEU A 10 -1.450 -3.261 -8.082 1.00 0.00 C ATOM 136 CG LEU A 10 -0.195 -3.654 -8.867 1.00 0.00 C ATOM 137 CD1 LEU A 10 -0.578 -4.570 -10.032 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.474 -2.393 -9.417 1.00 0.00 C ATOM 0 H LEU A 10 -3.835 -4.035 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.313 -5.185 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.056 -2.572 -8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.168 -2.737 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 10 0.493 -4.179 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.318 -4.847 -10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.057 -5.469 -9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.268 -4.047 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.368 -2.670 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.220 -1.871 -10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.751 -1.738 -8.591 1.00 0.00 H new ATOM 150 N ILE A 11 -0.479 -5.879 -6.854 1.00 0.00 N ATOM 151 CA ILE A 11 0.234 -6.608 -5.827 1.00 0.00 C ATOM 152 C ILE A 11 1.732 -6.348 -6.002 1.00 0.00 C ATOM 153 O ILE A 11 2.247 -6.355 -7.102 1.00 0.00 O ATOM 154 CB ILE A 11 -0.045 -8.108 -5.986 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.014 -8.933 -5.218 1.00 0.00 C ATOM 156 CG2 ILE A 11 -0.008 -8.463 -7.477 1.00 0.00 C ATOM 157 CD1 ILE A 11 1.157 -10.328 -5.838 1.00 0.00 C ATOM 0 H ILE A 11 -0.042 -5.901 -7.775 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.090 -6.284 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.027 -8.343 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.974 -8.417 -5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.726 -9.021 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.205 -9.528 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.768 -7.888 -8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.975 -8.226 -7.883 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.906 -10.896 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.200 -10.847 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.467 -10.234 -6.879 1.00 0.00 H new ATOM 169 N VAL A 12 2.437 -6.127 -4.930 1.00 0.00 N ATOM 170 CA VAL A 12 3.860 -5.885 -5.048 1.00 0.00 C ATOM 171 C VAL A 12 4.634 -6.883 -4.181 1.00 0.00 C ATOM 172 O VAL A 12 4.822 -6.702 -2.995 1.00 0.00 O ATOM 173 CB VAL A 12 4.213 -4.449 -4.636 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.373 -3.591 -5.892 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.115 -3.843 -3.755 1.00 0.00 C ATOM 0 H VAL A 12 2.067 -6.108 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 12 4.142 -6.018 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 12 5.143 -4.472 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.624 -2.570 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.170 -4.000 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.439 -3.591 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.391 -2.826 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.174 -3.827 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.998 -4.445 -2.854 1.00 0.00 H new ATOM 185 N LYS A 13 5.086 -7.931 -4.803 1.00 0.00 N ATOM 186 CA LYS A 13 5.854 -8.974 -4.135 1.00 0.00 C ATOM 187 C LYS A 13 7.053 -8.388 -3.402 1.00 0.00 C ATOM 188 O LYS A 13 7.622 -8.991 -2.515 1.00 0.00 O ATOM 189 CB LYS A 13 6.322 -9.977 -5.192 1.00 0.00 C ATOM 190 CG LYS A 13 7.711 -9.609 -5.739 1.00 0.00 C ATOM 191 CD LYS A 13 7.630 -8.287 -6.507 1.00 0.00 C ATOM 192 CE LYS A 13 7.326 -8.569 -7.980 1.00 0.00 C ATOM 193 NZ LYS A 13 8.566 -8.394 -8.787 1.00 0.00 N ATOM 0 H LYS A 13 4.938 -8.100 -5.798 1.00 0.00 H new ATOM 0 HA LYS A 13 5.226 -9.468 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.353 -10.977 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.603 -10.007 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.424 -9.521 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.075 -10.400 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.853 -7.653 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.571 -7.744 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.945 -9.584 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.549 -7.894 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.359 -8.586 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.911 -7.418 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.295 -9.056 -8.451 1.00 0.00 H new ATOM 207 N LYS A 14 7.421 -7.216 -3.763 1.00 0.00 N ATOM 208 CA LYS A 14 8.539 -6.580 -3.106 1.00 0.00 C ATOM 209 C LYS A 14 8.056 -5.338 -2.357 1.00 0.00 C ATOM 210 O LYS A 14 7.634 -4.377 -2.964 1.00 0.00 O ATOM 211 CB LYS A 14 9.583 -6.161 -4.146 1.00 0.00 C ATOM 212 CG LYS A 14 10.960 -6.079 -3.485 1.00 0.00 C ATOM 213 CD LYS A 14 11.384 -7.471 -3.013 1.00 0.00 C ATOM 214 CE LYS A 14 12.898 -7.497 -2.791 1.00 0.00 C ATOM 215 NZ LYS A 14 13.268 -6.478 -1.769 1.00 0.00 N ATOM 0 H LYS A 14 6.980 -6.668 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 14 8.985 -7.284 -2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.604 -6.880 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.316 -5.195 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.691 -5.685 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.929 -5.391 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.866 -7.726 -2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.102 -8.219 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.211 -8.488 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.417 -7.293 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.241 -6.650 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.205 -5.528 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.617 -6.544 -0.961 1.00 0.00 H new ATOM 229 N VAL A 15 8.212 -5.300 -1.055 1.00 0.00 N ATOM 230 CA VAL A 15 7.866 -4.086 -0.373 1.00 0.00 C ATOM 231 C VAL A 15 8.733 -3.952 0.854 1.00 0.00 C ATOM 232 O VAL A 15 9.140 -4.916 1.472 1.00 0.00 O ATOM 233 CB VAL A 15 6.367 -3.976 -0.087 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.106 -2.955 1.020 1.00 0.00 C ATOM 235 CG2 VAL A 15 5.713 -3.474 -1.362 1.00 0.00 C ATOM 0 H VAL A 15 8.560 -6.061 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 15 8.069 -3.236 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 15 5.973 -4.942 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.035 -2.890 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.618 -3.267 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.479 -1.979 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.638 -3.379 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.129 -2.502 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.902 -4.181 -2.170 1.00 0.00 H new ATOM 245 N ARG A 16 9.048 -2.751 1.170 1.00 0.00 N ATOM 246 CA ARG A 16 9.904 -2.476 2.279 1.00 0.00 C ATOM 247 C ARG A 16 9.173 -1.591 3.250 1.00 0.00 C ATOM 248 O ARG A 16 8.674 -0.549 2.899 1.00 0.00 O ATOM 249 CB ARG A 16 11.121 -1.720 1.741 1.00 0.00 C ATOM 250 CG ARG A 16 12.171 -1.578 2.827 1.00 0.00 C ATOM 251 CD ARG A 16 12.857 -2.922 3.005 1.00 0.00 C ATOM 252 NE ARG A 16 12.541 -3.452 4.317 1.00 0.00 N ATOM 253 CZ ARG A 16 12.814 -2.771 5.403 1.00 0.00 C ATOM 254 NH1 ARG A 16 13.457 -1.635 5.327 1.00 0.00 N ATOM 255 NH2 ARG A 16 12.483 -3.240 6.574 1.00 0.00 N ATOM 0 H ARG A 16 8.722 -1.924 0.670 1.00 0.00 H new ATOM 0 HA ARG A 16 10.205 -3.397 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.540 -2.252 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.819 -0.735 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.898 -0.813 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.710 -1.260 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.529 -3.616 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.936 -2.810 2.896 1.00 0.00 H new ATOM 0 HE ARG A 16 12.100 -4.368 4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 16 13.749 -1.274 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.666 -1.110 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.010 -4.140 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.698 -2.706 7.416 1.00 0.00 H new ATOM 269 N GLN A 17 9.125 -1.976 4.472 1.00 0.00 N ATOM 270 CA GLN A 17 8.476 -1.147 5.429 1.00 0.00 C ATOM 271 C GLN A 17 9.420 -1.062 6.616 1.00 0.00 C ATOM 272 O GLN A 17 10.027 -2.045 6.990 1.00 0.00 O ATOM 273 CB GLN A 17 7.111 -1.742 5.796 1.00 0.00 C ATOM 274 CG GLN A 17 7.229 -3.243 6.025 1.00 0.00 C ATOM 275 CD GLN A 17 5.917 -3.788 6.601 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.784 -4.976 6.806 1.00 0.00 O ATOM 277 NE2 GLN A 17 4.931 -2.972 6.872 1.00 0.00 N ATOM 0 H GLN A 17 9.519 -2.845 4.833 1.00 0.00 H new ATOM 0 HA GLN A 17 8.271 -0.146 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.727 -1.260 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.395 -1.545 4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.461 -3.746 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.051 -3.452 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.036 -1.972 6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.058 -3.336 7.253 1.00 0.00 H new ATOM 286 N LYS A 18 9.652 0.126 7.112 1.00 0.00 N ATOM 287 CA LYS A 18 10.646 0.314 8.163 1.00 0.00 C ATOM 288 C LYS A 18 10.653 -0.874 9.130 1.00 0.00 C ATOM 289 O LYS A 18 11.653 -1.150 9.762 1.00 0.00 O ATOM 290 CB LYS A 18 10.330 1.595 8.936 1.00 0.00 C ATOM 291 CG LYS A 18 11.626 2.361 9.208 1.00 0.00 C ATOM 292 CD LYS A 18 11.714 2.710 10.695 1.00 0.00 C ATOM 293 CE LYS A 18 11.441 4.203 10.887 1.00 0.00 C ATOM 294 NZ LYS A 18 12.490 4.790 11.766 1.00 0.00 N ATOM 0 H LYS A 18 9.176 0.978 6.815 1.00 0.00 H new ATOM 0 HA LYS A 18 11.630 0.388 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.641 2.217 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.835 1.352 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.485 1.758 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.655 3.271 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.991 2.122 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.702 2.458 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.435 4.710 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.456 4.350 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.305 5.805 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.475 4.313 12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.423 4.662 11.326 1.00 0.00 H new ATOM 308 N LYS A 19 9.585 -1.608 9.228 1.00 0.00 N ATOM 309 CA LYS A 19 9.601 -2.755 10.097 1.00 0.00 C ATOM 310 C LYS A 19 10.303 -3.942 9.397 1.00 0.00 C ATOM 311 O LYS A 19 11.179 -4.579 9.947 1.00 0.00 O ATOM 312 CB LYS A 19 8.145 -3.156 10.454 1.00 0.00 C ATOM 313 CG LYS A 19 7.370 -3.670 9.211 1.00 0.00 C ATOM 314 CD LYS A 19 5.888 -3.850 9.549 1.00 0.00 C ATOM 315 CE LYS A 19 5.749 -4.546 10.904 1.00 0.00 C ATOM 316 NZ LYS A 19 4.309 -4.611 11.283 1.00 0.00 N ATOM 0 H LYS A 19 8.709 -1.443 8.732 1.00 0.00 H new ATOM 0 HA LYS A 19 10.146 -2.503 11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.158 -3.931 11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.625 -2.297 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.480 -2.964 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.792 -4.618 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.391 -2.880 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.397 -4.440 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.169 -5.551 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.312 -4.003 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.213 -5.084 12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.923 -3.647 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.784 -5.147 10.563 1.00 0.00 H new ATOM 330 N GLN A 20 9.830 -4.286 8.232 1.00 0.00 N ATOM 331 CA GLN A 20 10.307 -5.451 7.519 1.00 0.00 C ATOM 332 C GLN A 20 10.167 -5.264 6.021 1.00 0.00 C ATOM 333 O GLN A 20 9.482 -4.380 5.549 1.00 0.00 O ATOM 334 CB GLN A 20 9.485 -6.665 7.926 1.00 0.00 C ATOM 335 CG GLN A 20 9.828 -7.046 9.356 1.00 0.00 C ATOM 336 CD GLN A 20 11.192 -7.740 9.393 1.00 0.00 C ATOM 337 OE1 GLN A 20 12.106 -7.346 8.697 1.00 0.00 O ATOM 338 NE2 GLN A 20 11.368 -8.764 10.182 1.00 0.00 N ATOM 0 H GLN A 20 9.100 -3.768 7.743 1.00 0.00 H new ATOM 0 HA GLN A 20 11.359 -5.594 7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.421 -6.443 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.691 -7.499 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.845 -6.156 9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.062 -7.708 9.760 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.601 -9.095 10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.273 -9.233 10.214 1.00 0.00 H new ATOM 347 N ASP A 21 10.765 -6.131 5.269 1.00 0.00 N ATOM 348 CA ASP A 21 10.618 -6.051 3.841 1.00 0.00 C ATOM 349 C ASP A 21 9.686 -7.217 3.580 1.00 0.00 C ATOM 350 O ASP A 21 9.866 -8.308 4.085 1.00 0.00 O ATOM 351 CB ASP A 21 11.952 -6.271 3.101 1.00 0.00 C ATOM 352 CG ASP A 21 13.107 -6.410 4.100 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.124 -5.669 5.069 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.955 -7.258 3.877 1.00 0.00 O ATOM 0 H ASP A 21 11.352 -6.894 5.607 1.00 0.00 H new ATOM 0 HA ASP A 21 10.264 -5.079 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.888 -7.167 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.144 -5.434 2.429 1.00 0.00 H new ATOM 359 N GLY A 22 8.653 -6.967 2.846 1.00 0.00 N ATOM 360 CA GLY A 22 7.672 -7.988 2.600 1.00 0.00 C ATOM 361 C GLY A 22 6.839 -7.605 1.395 1.00 0.00 C ATOM 362 O GLY A 22 6.929 -6.495 0.906 1.00 0.00 O ATOM 0 H GLY A 22 8.460 -6.068 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.163 -8.946 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.032 -8.111 3.474 1.00 0.00 H new ATOM 366 N ALA A 23 6.092 -8.519 0.854 1.00 0.00 N ATOM 367 CA ALA A 23 5.323 -8.198 -0.315 1.00 0.00 C ATOM 368 C ALA A 23 3.994 -7.560 0.087 1.00 0.00 C ATOM 369 O ALA A 23 3.304 -7.984 0.991 1.00 0.00 O ATOM 370 CB ALA A 23 5.044 -9.476 -1.106 1.00 0.00 C ATOM 0 H ALA A 23 5.997 -9.476 1.193 1.00 0.00 H new ATOM 0 HA ALA A 23 5.888 -7.496 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.460 -9.234 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.988 -9.932 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.485 -10.175 -0.483 1.00 0.00 H new ATOM 376 N LEU A 24 3.705 -6.485 -0.572 1.00 0.00 N ATOM 377 CA LEU A 24 2.520 -5.712 -0.266 1.00 0.00 C ATOM 378 C LEU A 24 1.498 -5.895 -1.387 1.00 0.00 C ATOM 379 O LEU A 24 1.808 -5.794 -2.551 1.00 0.00 O ATOM 380 CB LEU A 24 2.911 -4.239 -0.206 1.00 0.00 C ATOM 381 CG LEU A 24 2.652 -3.650 1.168 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.720 -2.126 1.049 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.269 -4.057 1.668 1.00 0.00 C ATOM 0 H LEU A 24 4.271 -6.111 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 24 2.095 -6.039 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.966 -4.131 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.348 -3.681 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 24 3.397 -4.017 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.537 -1.676 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.708 -1.833 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.964 -1.782 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.098 -3.627 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.510 -3.692 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.210 -5.144 1.731 1.00 0.00 H new ATOM 395 N TYR A 25 0.276 -6.154 -1.025 1.00 0.00 N ATOM 396 CA TYR A 25 -0.775 -6.337 -2.007 1.00 0.00 C ATOM 397 C TYR A 25 -1.696 -5.135 -1.908 1.00 0.00 C ATOM 398 O TYR A 25 -2.002 -4.697 -0.817 1.00 0.00 O ATOM 399 CB TYR A 25 -1.599 -7.571 -1.636 1.00 0.00 C ATOM 400 CG TYR A 25 -1.067 -8.810 -2.304 1.00 0.00 C ATOM 401 CD1 TYR A 25 -0.063 -9.563 -1.688 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.607 -9.222 -3.524 1.00 0.00 C ATOM 403 CE1 TYR A 25 0.402 -10.735 -2.292 1.00 0.00 C ATOM 404 CE2 TYR A 25 -1.141 -10.393 -4.134 1.00 0.00 C ATOM 405 CZ TYR A 25 -0.137 -11.152 -3.515 1.00 0.00 C ATOM 406 OH TYR A 25 0.320 -12.309 -4.111 1.00 0.00 O ATOM 0 H TYR A 25 -0.027 -6.245 -0.055 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.349 -6.450 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.587 -7.706 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.638 -7.417 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.353 -9.239 -0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.383 -8.638 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.176 -11.318 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.554 -10.711 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.344 -12.628 -4.757 1.00 0.00 H new ATOM 416 N LEU A 26 -2.175 -4.582 -2.985 1.00 0.00 N ATOM 417 CA LEU A 26 -3.063 -3.456 -2.847 1.00 0.00 C ATOM 418 C LEU A 26 -4.442 -3.895 -3.329 1.00 0.00 C ATOM 419 O LEU A 26 -4.577 -4.474 -4.395 1.00 0.00 O ATOM 420 CB LEU A 26 -2.560 -2.300 -3.712 1.00 0.00 C ATOM 421 CG LEU A 26 -3.409 -1.058 -3.447 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.563 -0.015 -2.718 1.00 0.00 C ATOM 423 CD2 LEU A 26 -3.897 -0.481 -4.778 1.00 0.00 C ATOM 0 H LEU A 26 -1.977 -4.877 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.107 -3.124 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.514 -2.093 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.613 -2.571 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.268 -1.326 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.165 0.873 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.214 -0.427 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.706 0.254 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.503 0.405 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.039 -0.210 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.497 -1.227 -5.300 1.00 0.00 H new ATOM 435 N MET A 27 -5.464 -3.588 -2.579 1.00 0.00 N ATOM 436 CA MET A 27 -6.805 -3.945 -2.975 1.00 0.00 C ATOM 437 C MET A 27 -7.638 -2.674 -2.952 1.00 0.00 C ATOM 438 O MET A 27 -7.472 -1.851 -2.073 1.00 0.00 O ATOM 439 CB MET A 27 -7.377 -4.950 -1.975 1.00 0.00 C ATOM 440 CG MET A 27 -8.589 -5.645 -2.586 1.00 0.00 C ATOM 441 SD MET A 27 -8.625 -7.370 -2.041 1.00 0.00 S ATOM 442 CE MET A 27 -9.960 -7.919 -3.128 1.00 0.00 C ATOM 0 H MET A 27 -5.398 -3.092 -1.690 1.00 0.00 H new ATOM 0 HA MET A 27 -6.812 -4.394 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.618 -5.686 -1.709 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.663 -4.440 -1.055 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.505 -5.137 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.541 -5.596 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.673 -8.514 -2.557 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.467 -7.051 -3.549 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.547 -8.524 -3.935 1.00 0.00 H new ATOM 452 N ALA A 28 -8.519 -2.489 -3.905 1.00 0.00 N ATOM 453 CA ALA A 28 -9.319 -1.273 -3.922 1.00 0.00 C ATOM 454 C ALA A 28 -9.730 -0.925 -2.489 1.00 0.00 C ATOM 455 O ALA A 28 -9.504 0.166 -2.006 1.00 0.00 O ATOM 456 CB ALA A 28 -10.576 -1.516 -4.766 1.00 0.00 C ATOM 0 H ALA A 28 -8.703 -3.143 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.742 -0.452 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.182 -0.610 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.286 -1.780 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.155 -2.331 -4.331 1.00 0.00 H new ATOM 462 N GLU A 29 -10.405 -1.826 -1.850 1.00 0.00 N ATOM 463 CA GLU A 29 -10.908 -1.546 -0.524 1.00 0.00 C ATOM 464 C GLU A 29 -9.893 -1.859 0.580 1.00 0.00 C ATOM 465 O GLU A 29 -10.123 -1.509 1.715 1.00 0.00 O ATOM 466 CB GLU A 29 -12.149 -2.398 -0.293 1.00 0.00 C ATOM 467 CG GLU A 29 -12.833 -1.993 1.016 1.00 0.00 C ATOM 468 CD GLU A 29 -14.082 -1.165 0.704 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.906 -1.638 -0.060 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.192 -0.073 1.236 1.00 0.00 O ATOM 0 H GLU A 29 -10.624 -2.755 -2.211 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.126 -0.479 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.842 -2.278 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.874 -3.452 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.105 -2.881 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.146 -1.415 1.634 1.00 0.00 H new ATOM 477 N ARG A 30 -8.788 -2.505 0.324 1.00 0.00 N ATOM 478 CA ARG A 30 -7.896 -2.761 1.448 1.00 0.00 C ATOM 479 C ARG A 30 -6.457 -3.031 1.009 1.00 0.00 C ATOM 480 O ARG A 30 -6.171 -3.322 -0.133 1.00 0.00 O ATOM 481 CB ARG A 30 -8.410 -3.958 2.254 1.00 0.00 C ATOM 482 CG ARG A 30 -7.982 -5.274 1.609 1.00 0.00 C ATOM 483 CD ARG A 30 -9.225 -6.081 1.247 1.00 0.00 C ATOM 484 NE ARG A 30 -9.874 -5.450 0.111 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.869 -6.048 -0.495 1.00 0.00 C ATOM 486 NH1 ARG A 30 -11.253 -7.236 -0.109 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.478 -5.462 -1.490 1.00 0.00 N ATOM 0 H ARG A 30 -8.486 -2.849 -0.587 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.889 -1.860 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.027 -3.907 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.497 -3.917 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.387 -5.079 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.352 -5.841 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.952 -7.108 1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.907 -6.125 2.096 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.554 -4.538 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.778 -7.699 0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.028 -7.700 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.179 -4.536 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.253 -5.930 -1.960 1.00 0.00 H new ATOM 501 N ILE A 31 -5.561 -2.939 1.950 1.00 0.00 N ATOM 502 CA ILE A 31 -4.156 -3.183 1.674 1.00 0.00 C ATOM 503 C ILE A 31 -3.741 -4.488 2.368 1.00 0.00 C ATOM 504 O ILE A 31 -4.101 -4.734 3.499 1.00 0.00 O ATOM 505 CB ILE A 31 -3.328 -1.996 2.196 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.243 -0.933 1.102 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.909 -2.446 2.566 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.321 -1.418 -0.019 1.00 0.00 C ATOM 0 H ILE A 31 -5.769 -2.697 2.919 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.983 -3.281 0.602 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.812 -1.593 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.237 -0.726 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.865 0.001 1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.340 -1.591 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.960 -3.208 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.417 -2.858 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.263 -0.657 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.325 -1.602 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.718 -2.341 -0.443 1.00 0.00 H new ATOM 520 N ALA A 32 -3.002 -5.335 1.697 1.00 0.00 N ATOM 521 CA ALA A 32 -2.605 -6.591 2.313 1.00 0.00 C ATOM 522 C ALA A 32 -1.087 -6.733 2.319 1.00 0.00 C ATOM 523 O ALA A 32 -0.403 -6.276 1.428 1.00 0.00 O ATOM 524 CB ALA A 32 -3.221 -7.755 1.536 1.00 0.00 C ATOM 0 H ALA A 32 -2.666 -5.190 0.745 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.960 -6.601 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.924 -8.697 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.307 -7.669 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.871 -7.729 0.504 1.00 0.00 H new ATOM 530 N TRP A 33 -0.558 -7.375 3.326 1.00 0.00 N ATOM 531 CA TRP A 33 0.879 -7.548 3.382 1.00 0.00 C ATOM 532 C TRP A 33 1.230 -9.022 3.519 1.00 0.00 C ATOM 533 O TRP A 33 0.589 -9.761 4.229 1.00 0.00 O ATOM 534 CB TRP A 33 1.457 -6.797 4.565 1.00 0.00 C ATOM 535 CG TRP A 33 2.934 -6.809 4.463 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.635 -6.533 3.345 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.916 -7.127 5.489 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.978 -6.583 3.658 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.200 -6.966 4.938 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.825 -7.517 6.829 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.356 -7.174 5.669 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.987 -7.749 7.575 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.255 -7.574 6.996 1.00 0.00 C ATOM 0 H TRP A 33 -1.080 -7.780 4.103 1.00 0.00 H new ATOM 0 HA TRP A 33 1.301 -7.155 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.088 -5.771 4.578 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.139 -7.262 5.499 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.218 -6.311 2.374 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.722 -6.356 2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.856 -7.640 7.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.325 -7.027 5.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.908 -8.065 8.605 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.147 -7.749 7.579 1.00 0.00 H new ATOM 554 N ALA A 34 2.257 -9.438 2.846 1.00 0.00 N ATOM 555 CA ALA A 34 2.678 -10.825 2.919 1.00 0.00 C ATOM 556 C ALA A 34 4.190 -10.927 2.684 1.00 0.00 C ATOM 557 O ALA A 34 4.680 -10.526 1.649 1.00 0.00 O ATOM 558 CB ALA A 34 1.931 -11.648 1.877 1.00 0.00 C ATOM 0 H ALA A 34 2.826 -8.849 2.238 1.00 0.00 H new ATOM 0 HA ALA A 34 2.448 -11.215 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.251 -12.688 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.859 -11.587 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.147 -11.258 0.882 1.00 0.00 H new ATOM 564 N PRO A 35 4.884 -11.467 3.657 1.00 0.00 N ATOM 565 CA PRO A 35 6.350 -11.596 3.489 1.00 0.00 C ATOM 566 C PRO A 35 6.746 -13.072 3.372 1.00 0.00 C ATOM 567 O PRO A 35 7.306 -13.498 2.382 1.00 0.00 O ATOM 568 CB PRO A 35 6.967 -10.992 4.755 1.00 0.00 C ATOM 569 CG PRO A 35 5.812 -10.659 5.722 1.00 0.00 C ATOM 570 CD PRO A 35 4.497 -10.966 4.996 1.00 0.00 C ATOM 0 HA PRO A 35 6.694 -11.092 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.662 -11.695 5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.535 -10.094 4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.893 -11.251 6.634 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.850 -9.611 6.018 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.915 -11.711 5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.877 -10.073 4.915 1.00 0.00 H new ATOM 678 N THR A 42 -0.249 -11.772 5.128 1.00 0.00 N ATOM 679 CA THR A 42 0.094 -11.490 6.504 1.00 0.00 C ATOM 680 C THR A 42 -0.718 -10.279 6.990 1.00 0.00 C ATOM 681 O THR A 42 -0.805 -10.011 8.171 1.00 0.00 O ATOM 682 CB THR A 42 1.619 -11.216 6.581 1.00 0.00 C ATOM 683 OG1 THR A 42 2.176 -11.975 7.642 1.00 0.00 O ATOM 684 CG2 THR A 42 1.927 -9.731 6.811 1.00 0.00 C ATOM 0 HA THR A 42 -0.145 -12.336 7.148 1.00 0.00 H new ATOM 0 HB THR A 42 2.058 -11.505 5.626 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.140 -11.807 7.694 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.006 -9.586 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.518 -9.143 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.476 -9.407 7.749 1.00 0.00 H new ATOM 692 N ILE A 43 -1.297 -9.539 6.082 1.00 0.00 N ATOM 693 CA ILE A 43 -2.059 -8.374 6.503 1.00 0.00 C ATOM 694 C ILE A 43 -3.186 -8.045 5.533 1.00 0.00 C ATOM 695 O ILE A 43 -3.158 -8.402 4.372 1.00 0.00 O ATOM 696 CB ILE A 43 -1.109 -7.175 6.617 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.998 -6.757 8.082 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.604 -5.973 5.778 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.475 -5.326 8.150 1.00 0.00 C ATOM 0 H ILE A 43 -1.264 -9.706 5.076 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.515 -8.597 7.467 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.135 -7.477 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.971 -6.826 8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.326 -7.429 8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.905 -5.143 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.667 -6.263 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.589 -5.665 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.392 -5.018 9.192 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.506 -5.274 7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.164 -4.662 7.629 1.00 0.00 H new ATOM 711 N SER A 44 -4.146 -7.307 6.023 1.00 0.00 N ATOM 712 CA SER A 44 -5.247 -6.881 5.194 1.00 0.00 C ATOM 713 C SER A 44 -6.050 -5.801 5.933 1.00 0.00 C ATOM 714 O SER A 44 -6.842 -6.096 6.805 1.00 0.00 O ATOM 715 CB SER A 44 -6.149 -8.074 4.877 1.00 0.00 C ATOM 716 OG SER A 44 -7.401 -7.602 4.396 1.00 0.00 O ATOM 0 H SER A 44 -4.190 -6.987 6.991 1.00 0.00 H new ATOM 0 HA SER A 44 -4.862 -6.471 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.677 -8.713 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.295 -8.681 5.770 1.00 0.00 H new ATOM 0 HG SER A 44 -7.981 -8.365 4.190 1.00 0.00 H new ATOM 722 N HIS A 45 -5.864 -4.550 5.584 1.00 0.00 N ATOM 723 CA HIS A 45 -6.616 -3.497 6.252 1.00 0.00 C ATOM 724 C HIS A 45 -7.636 -2.903 5.286 1.00 0.00 C ATOM 725 O HIS A 45 -7.285 -2.373 4.249 1.00 0.00 O ATOM 726 CB HIS A 45 -5.721 -2.347 6.709 1.00 0.00 C ATOM 727 CG HIS A 45 -4.262 -2.654 6.520 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.374 -2.703 7.583 1.00 0.00 N ATOM 729 CD2 HIS A 45 -3.513 -2.861 5.396 1.00 0.00 C ATOM 730 CE1 HIS A 45 -2.149 -2.926 7.074 1.00 0.00 C ATOM 731 NE2 HIS A 45 -2.177 -3.034 5.745 1.00 0.00 N ATOM 0 H HIS A 45 -5.217 -4.234 4.861 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.091 -3.956 7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.976 -1.446 6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.913 -2.135 7.761 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.607 -2.591 8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.900 -2.887 4.388 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.252 -3.008 7.669 1.00 0.00 H new ATOM 739 N MET A 46 -8.885 -2.948 5.639 1.00 0.00 N ATOM 740 CA MET A 46 -9.894 -2.373 4.778 1.00 0.00 C ATOM 741 C MET A 46 -9.753 -0.852 4.793 1.00 0.00 C ATOM 742 O MET A 46 -10.064 -0.200 5.766 1.00 0.00 O ATOM 743 CB MET A 46 -11.286 -2.761 5.272 1.00 0.00 C ATOM 744 CG MET A 46 -11.828 -3.914 4.424 1.00 0.00 C ATOM 745 SD MET A 46 -13.194 -4.718 5.297 1.00 0.00 S ATOM 746 CE MET A 46 -12.632 -6.424 5.080 1.00 0.00 C ATOM 0 H MET A 46 -9.234 -3.368 6.501 1.00 0.00 H new ATOM 0 HA MET A 46 -9.762 -2.749 3.763 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.242 -3.057 6.320 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.957 -1.904 5.210 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.170 -3.540 3.459 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.036 -4.636 4.224 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.342 -7.104 5.552 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.563 -6.652 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.652 -6.546 5.541 1.00 0.00 H new ATOM 756 N TYR A 47 -9.292 -0.292 3.713 1.00 0.00 N ATOM 757 CA TYR A 47 -9.126 1.136 3.620 1.00 0.00 C ATOM 758 C TYR A 47 -10.302 1.857 4.300 1.00 0.00 C ATOM 759 O TYR A 47 -10.106 2.740 5.090 1.00 0.00 O ATOM 760 CB TYR A 47 -9.027 1.527 2.133 1.00 0.00 C ATOM 761 CG TYR A 47 -7.580 1.469 1.651 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.513 1.245 2.548 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.299 1.680 0.293 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.195 1.244 2.081 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.983 1.671 -0.162 1.00 0.00 C ATOM 766 CZ TYR A 47 -4.931 1.460 0.729 1.00 0.00 C ATOM 767 OH TYR A 47 -3.631 1.464 0.270 1.00 0.00 O ATOM 0 H TYR A 47 -9.021 -0.805 2.874 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.213 1.437 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.641 0.855 1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.422 2.533 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.715 1.074 3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.107 1.850 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.380 1.076 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.776 1.828 -1.210 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.088 2.057 0.830 1.00 0.00 H new ATOM 777 N ALA A 48 -11.520 1.470 4.064 1.00 0.00 N ATOM 778 CA ALA A 48 -12.603 2.149 4.759 1.00 0.00 C ATOM 779 C ALA A 48 -12.468 1.838 6.256 1.00 0.00 C ATOM 780 O ALA A 48 -12.550 2.702 7.106 1.00 0.00 O ATOM 781 CB ALA A 48 -13.951 1.649 4.233 1.00 0.00 C ATOM 0 H ALA A 48 -11.795 0.722 3.427 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.551 3.225 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.758 2.161 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.024 1.855 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.032 0.575 4.402 1.00 0.00 H new ATOM 787 N ASP A 49 -12.251 0.592 6.554 1.00 0.00 N ATOM 788 CA ASP A 49 -12.096 0.179 7.934 1.00 0.00 C ATOM 789 C ASP A 49 -11.120 1.119 8.593 1.00 0.00 C ATOM 790 O ASP A 49 -11.196 1.381 9.766 1.00 0.00 O ATOM 791 CB ASP A 49 -11.581 -1.260 8.013 1.00 0.00 C ATOM 792 CG ASP A 49 -12.755 -2.232 7.875 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.727 -1.868 7.234 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.661 -3.323 8.411 1.00 0.00 O ATOM 0 H ASP A 49 -12.176 -0.161 5.870 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.059 0.213 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.852 -1.440 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.070 -1.423 8.962 1.00 0.00 H new ATOM 799 N ILE A 50 -10.163 1.583 7.871 1.00 0.00 N ATOM 800 CA ILE A 50 -9.191 2.435 8.487 1.00 0.00 C ATOM 801 C ILE A 50 -9.339 3.842 7.895 1.00 0.00 C ATOM 802 O ILE A 50 -9.921 4.002 6.850 1.00 0.00 O ATOM 803 CB ILE A 50 -7.804 1.796 8.261 1.00 0.00 C ATOM 804 CG1 ILE A 50 -6.959 2.563 7.243 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.959 0.359 7.760 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.714 2.685 5.932 1.00 0.00 C ATOM 0 H ILE A 50 -10.027 1.398 6.877 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.329 2.537 9.563 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.295 1.823 9.225 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.720 3.554 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.012 2.047 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.974 -0.080 7.605 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.505 -0.227 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.509 0.359 6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.106 3.232 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.930 1.690 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.649 3.220 6.099 1.00 0.00 H new ATOM 818 N LYS A 51 -8.863 4.883 8.527 1.00 0.00 N ATOM 819 CA LYS A 51 -9.060 6.172 7.894 1.00 0.00 C ATOM 820 C LYS A 51 -7.962 7.177 8.215 1.00 0.00 C ATOM 821 O LYS A 51 -7.946 7.814 9.250 1.00 0.00 O ATOM 822 CB LYS A 51 -10.389 6.778 8.324 1.00 0.00 C ATOM 823 CG LYS A 51 -10.739 7.908 7.351 1.00 0.00 C ATOM 824 CD LYS A 51 -9.817 9.110 7.597 1.00 0.00 C ATOM 825 CE LYS A 51 -10.502 10.388 7.112 1.00 0.00 C ATOM 826 NZ LYS A 51 -11.045 11.135 8.281 1.00 0.00 N ATOM 0 H LYS A 51 -8.368 4.879 9.419 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.042 5.977 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.171 6.019 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.320 7.161 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.633 7.561 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.780 8.204 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.583 9.191 8.659 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.872 8.970 7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.791 11.010 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.306 10.142 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.511 12.004 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.736 10.541 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.268 11.382 8.926 1.00 0.00 H new ATOM 840 N CYS A 52 -7.107 7.372 7.270 1.00 0.00 N ATOM 841 CA CYS A 52 -6.066 8.356 7.367 1.00 0.00 C ATOM 842 C CYS A 52 -5.183 8.158 6.151 1.00 0.00 C ATOM 843 O CYS A 52 -4.904 7.036 5.777 1.00 0.00 O ATOM 844 CB CYS A 52 -5.285 8.176 8.641 1.00 0.00 C ATOM 845 SG CYS A 52 -5.763 9.446 9.838 1.00 0.00 S ATOM 0 H CYS A 52 -7.105 6.849 6.394 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.473 9.367 7.392 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.470 7.185 9.055 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.217 8.241 8.436 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.987 9.239 10.225 1.00 0.00 H new ATOM 851 N GLN A 53 -4.765 9.192 5.503 1.00 0.00 N ATOM 852 CA GLN A 53 -3.969 8.967 4.319 1.00 0.00 C ATOM 853 C GLN A 53 -2.882 10.016 4.179 1.00 0.00 C ATOM 854 O GLN A 53 -3.107 11.208 4.233 1.00 0.00 O ATOM 855 CB GLN A 53 -4.875 9.012 3.092 1.00 0.00 C ATOM 856 CG GLN A 53 -5.241 7.587 2.672 1.00 0.00 C ATOM 857 CD GLN A 53 -4.069 6.959 1.916 1.00 0.00 C ATOM 858 OE1 GLN A 53 -2.923 7.183 2.253 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.309 6.175 0.901 1.00 0.00 N ATOM 0 H GLN A 53 -4.944 10.166 5.748 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.492 7.991 4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.778 9.580 3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.370 9.525 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.483 6.989 3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.129 7.600 2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.271 5.987 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.535 5.750 0.390 1.00 0.00 H new ATOM 868 N LYS A 54 -1.690 9.533 4.003 1.00 0.00 N ATOM 869 CA LYS A 54 -0.540 10.381 3.857 1.00 0.00 C ATOM 870 C LYS A 54 0.247 9.889 2.646 1.00 0.00 C ATOM 871 O LYS A 54 0.800 8.807 2.666 1.00 0.00 O ATOM 872 CB LYS A 54 0.323 10.221 5.112 1.00 0.00 C ATOM 873 CG LYS A 54 0.493 11.565 5.811 1.00 0.00 C ATOM 874 CD LYS A 54 1.699 12.301 5.223 1.00 0.00 C ATOM 875 CE LYS A 54 2.987 11.592 5.648 1.00 0.00 C ATOM 876 NZ LYS A 54 4.062 12.602 5.864 1.00 0.00 N ATOM 0 H LYS A 54 -1.484 8.535 3.956 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.826 11.425 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.140 9.506 5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.299 9.818 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.408 12.166 5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.633 11.414 6.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.628 12.327 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.710 13.335 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.817 11.024 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.292 10.879 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.938 12.121 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.230 13.125 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.770 13.266 6.609 1.00 0.00 H new ATOM 988 N LYS A 62 11.723 7.553 -1.864 1.00 0.00 N ATOM 989 CA LYS A 62 11.598 6.656 -2.996 1.00 0.00 C ATOM 990 C LYS A 62 10.225 6.000 -3.076 1.00 0.00 C ATOM 991 O LYS A 62 10.166 4.896 -3.544 1.00 0.00 O ATOM 992 CB LYS A 62 12.636 5.528 -2.904 1.00 0.00 C ATOM 993 CG LYS A 62 13.019 5.304 -1.436 1.00 0.00 C ATOM 994 CD LYS A 62 14.331 6.000 -1.105 1.00 0.00 C ATOM 995 CE LYS A 62 15.476 4.987 -1.151 1.00 0.00 C ATOM 996 NZ LYS A 62 16.406 5.337 -2.261 1.00 0.00 N ATOM 0 HA LYS A 62 11.754 7.270 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.230 4.610 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.521 5.785 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.228 5.682 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.109 4.236 -1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.516 6.806 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.274 6.454 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.011 4.984 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.081 3.982 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.184 4.648 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.891 5.318 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.793 6.289 -2.103 1.00 0.00 H new ATOM 1010 N ILE A 63 9.134 6.665 -2.689 1.00 0.00 N ATOM 1011 CA ILE A 63 7.759 6.106 -2.792 1.00 0.00 C ATOM 1012 C ILE A 63 7.201 5.608 -1.420 1.00 0.00 C ATOM 1013 O ILE A 63 6.888 4.452 -1.238 1.00 0.00 O ATOM 1014 CB ILE A 63 7.626 5.011 -3.872 1.00 0.00 C ATOM 1015 CG1 ILE A 63 8.017 3.594 -3.371 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.453 5.356 -5.128 1.00 0.00 C ATOM 1017 CD1 ILE A 63 8.903 3.603 -2.115 1.00 0.00 C ATOM 0 H ILE A 63 9.165 7.605 -2.294 1.00 0.00 H new ATOM 0 HA ILE A 63 7.140 6.945 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 63 6.566 4.986 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.109 3.030 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.540 3.068 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.337 4.565 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.102 6.299 -5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.505 5.448 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.134 2.578 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.829 4.138 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.375 4.100 -1.301 1.00 0.00 H new ATOM 1029 N GLN A 64 7.068 6.470 -0.455 1.00 0.00 N ATOM 1030 CA GLN A 64 6.587 6.002 0.849 1.00 0.00 C ATOM 1031 C GLN A 64 5.155 6.477 1.136 1.00 0.00 C ATOM 1032 O GLN A 64 4.827 7.636 0.984 1.00 0.00 O ATOM 1033 CB GLN A 64 7.533 6.510 1.944 1.00 0.00 C ATOM 1034 CG GLN A 64 7.166 7.942 2.330 1.00 0.00 C ATOM 1035 CD GLN A 64 8.431 8.707 2.721 1.00 0.00 C ATOM 1036 OE1 GLN A 64 8.474 9.347 3.753 1.00 0.00 O ATOM 1037 NE2 GLN A 64 9.470 8.668 1.934 1.00 0.00 N ATOM 0 H GLN A 64 7.272 7.467 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 64 6.573 4.912 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.471 5.862 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.564 6.473 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.671 8.439 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.461 7.936 3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.434 8.131 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.319 9.175 2.185 1.00 0.00 H new ATOM 1046 N LEU A 65 4.297 5.586 1.574 1.00 0.00 N ATOM 1047 CA LEU A 65 2.930 5.993 1.859 1.00 0.00 C ATOM 1048 C LEU A 65 2.590 5.782 3.343 1.00 0.00 C ATOM 1049 O LEU A 65 3.252 5.037 4.049 1.00 0.00 O ATOM 1050 CB LEU A 65 1.949 5.242 0.923 1.00 0.00 C ATOM 1051 CG LEU A 65 1.855 3.721 1.205 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.172 3.032 0.868 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.488 3.428 2.664 1.00 0.00 C ATOM 0 H LEU A 65 4.506 4.601 1.739 1.00 0.00 H new ATOM 0 HA LEU A 65 2.829 7.060 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.957 5.682 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.261 5.392 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 65 1.061 3.329 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.087 1.965 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.402 3.182 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.971 3.456 1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.433 2.350 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.248 3.849 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.521 3.876 2.893 1.00 0.00 H new ATOM 1065 N GLN A 66 1.556 6.446 3.817 1.00 0.00 N ATOM 1066 CA GLN A 66 1.164 6.315 5.215 1.00 0.00 C ATOM 1067 C GLN A 66 -0.354 6.521 5.367 1.00 0.00 C ATOM 1068 O GLN A 66 -0.930 7.431 4.815 1.00 0.00 O ATOM 1069 CB GLN A 66 1.900 7.360 6.053 1.00 0.00 C ATOM 1070 CG GLN A 66 2.369 6.722 7.361 1.00 0.00 C ATOM 1071 CD GLN A 66 3.123 7.759 8.195 1.00 0.00 C ATOM 1072 OE1 GLN A 66 3.713 8.675 7.658 1.00 0.00 O ATOM 1073 NE2 GLN A 66 3.127 7.654 9.496 1.00 0.00 N ATOM 0 H GLN A 66 0.974 7.077 3.266 1.00 0.00 H new ATOM 0 HA GLN A 66 1.424 5.314 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.754 7.751 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.242 8.204 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.513 6.343 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.015 5.870 7.151 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.632 6.885 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.625 8.341 10.062 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.995 5.648 6.092 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.432 5.731 6.274 1.00 0.00 C ATOM 1084 C LEU A 67 -2.741 5.335 7.716 1.00 0.00 C ATOM 1085 O LEU A 67 -1.981 4.629 8.348 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.085 4.783 5.250 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.372 4.156 5.788 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -5.451 4.219 4.707 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.098 2.695 6.145 1.00 0.00 C ATOM 0 H LEU A 67 -0.551 4.865 6.572 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.824 6.734 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.305 5.334 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.381 3.994 4.986 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.709 4.697 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.371 3.773 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.636 5.259 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.117 3.670 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.009 2.237 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.771 2.158 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.318 2.646 6.905 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.839 5.783 8.251 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.144 5.426 9.620 1.00 0.00 C ATOM 1103 C VAL A 68 -5.558 4.920 9.741 1.00 0.00 C ATOM 1104 O VAL A 68 -6.412 5.138 8.910 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.935 6.588 10.592 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.757 6.041 12.003 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.671 7.332 10.232 1.00 0.00 C ATOM 0 H VAL A 68 -4.524 6.378 7.785 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.446 4.634 9.892 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.799 7.250 10.537 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.608 6.868 12.698 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.647 5.481 12.291 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.889 5.382 12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.525 8.159 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.820 6.654 10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.754 7.721 9.217 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.754 4.186 10.770 1.00 0.00 N ATOM 1118 CA LEU A 69 -7.013 3.550 11.029 1.00 0.00 C ATOM 1119 C LEU A 69 -7.889 4.480 11.858 1.00 0.00 C ATOM 1120 O LEU A 69 -7.393 5.197 12.702 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.676 2.267 11.814 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.619 1.391 11.055 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.202 0.062 10.624 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -5.083 2.060 9.787 1.00 0.00 C ATOM 0 H LEU A 69 -5.041 4.000 11.475 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.559 3.318 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.291 2.532 12.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.585 1.687 11.973 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.810 1.257 11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.441 -0.517 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.539 -0.490 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.047 0.234 9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.356 1.403 9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.907 2.251 9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.603 3.003 10.048 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.193 4.474 11.655 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.030 5.338 12.472 1.00 0.00 C ATOM 1138 C HIS A 70 -9.603 5.096 13.918 1.00 0.00 C ATOM 1139 O HIS A 70 -9.654 5.965 14.766 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.520 5.015 12.274 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.781 3.547 12.476 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.551 2.913 13.687 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -12.277 2.578 11.635 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.907 1.623 13.544 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.356 1.366 12.314 1.00 0.00 N ATOM 0 H HIS A 70 -9.682 3.907 10.962 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.906 6.384 12.193 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.119 5.595 12.976 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.830 5.309 11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.562 2.734 10.605 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.838 0.885 14.330 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.686 0.472 11.950 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.111 3.909 14.162 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.604 3.577 15.465 1.00 0.00 C ATOM 1155 C ALA A 71 -7.206 4.196 15.576 1.00 0.00 C ATOM 1156 O ALA A 71 -6.917 5.201 14.961 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.518 2.057 15.619 1.00 0.00 C ATOM 0 H ALA A 71 -9.051 3.158 13.475 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.260 3.959 16.247 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.133 1.813 16.609 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.510 1.622 15.498 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.849 1.652 14.860 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.358 3.651 16.391 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.038 4.238 16.579 1.00 0.00 C ATOM 1165 C GLY A 72 -3.991 3.338 15.949 1.00 0.00 C ATOM 1166 O GLY A 72 -3.029 2.927 16.567 1.00 0.00 O ATOM 0 H GLY A 72 -6.538 2.809 16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.001 5.229 16.127 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.832 4.365 17.642 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.203 3.029 14.721 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.284 2.167 14.028 1.00 0.00 C ATOM 1172 C ASP A 73 -2.889 2.824 12.721 1.00 0.00 C ATOM 1173 O ASP A 73 -3.717 3.294 11.974 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.940 0.810 13.772 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.785 -0.074 15.012 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.736 0.472 16.102 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -3.719 -1.281 14.850 1.00 0.00 O ATOM 0 H ASP A 73 -4.997 3.352 14.168 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.392 2.006 14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.996 0.943 13.537 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.480 0.329 12.909 1.00 0.00 H new ATOM 1182 N THR A 74 -1.622 2.873 12.450 1.00 0.00 N ATOM 1183 CA THR A 74 -1.177 3.502 11.235 1.00 0.00 C ATOM 1184 C THR A 74 -0.708 2.428 10.279 1.00 0.00 C ATOM 1185 O THR A 74 -0.465 1.302 10.667 1.00 0.00 O ATOM 1186 CB THR A 74 -0.020 4.458 11.539 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.147 4.945 12.867 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.053 5.630 10.556 1.00 0.00 C ATOM 0 H THR A 74 -0.883 2.492 13.041 1.00 0.00 H new ATOM 0 HA THR A 74 -1.996 4.068 10.790 1.00 0.00 H new ATOM 0 HB THR A 74 0.927 3.928 11.436 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.594 5.556 13.064 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.771 6.310 10.773 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.046 5.254 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.999 6.162 10.656 1.00 0.00 H new ATOM 1196 N THR A 75 -0.550 2.760 9.038 1.00 0.00 N ATOM 1197 CA THR A 75 -0.081 1.797 8.088 1.00 0.00 C ATOM 1198 C THR A 75 1.029 2.494 7.309 1.00 0.00 C ATOM 1199 O THR A 75 0.769 3.358 6.495 1.00 0.00 O ATOM 1200 CB THR A 75 -1.217 1.404 7.141 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.438 1.350 7.865 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.921 0.035 6.530 1.00 0.00 C ATOM 0 H THR A 75 -0.738 3.687 8.657 1.00 0.00 H new ATOM 0 HA THR A 75 0.275 0.888 8.573 1.00 0.00 H new ATOM 0 HB THR A 75 -1.301 2.144 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.965 0.582 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.730 -0.245 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.016 0.079 5.974 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.837 -0.707 7.324 1.00 0.00 H new ATOM 1210 N ASN A 76 2.258 2.148 7.541 1.00 0.00 N ATOM 1211 CA ASN A 76 3.328 2.801 6.820 1.00 0.00 C ATOM 1212 C ASN A 76 3.947 1.782 5.884 1.00 0.00 C ATOM 1213 O ASN A 76 4.160 0.646 6.259 1.00 0.00 O ATOM 1214 CB ASN A 76 4.389 3.296 7.805 1.00 0.00 C ATOM 1215 CG ASN A 76 3.758 4.270 8.804 1.00 0.00 C ATOM 1216 OD1 ASN A 76 4.125 5.427 8.855 1.00 0.00 O ATOM 1217 ND2 ASN A 76 2.823 3.847 9.610 1.00 0.00 N ATOM 0 H ASN A 76 2.550 1.434 8.208 1.00 0.00 H new ATOM 0 HA ASN A 76 2.942 3.654 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.828 2.451 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.198 3.788 7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.401 4.488 10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.514 2.876 9.568 1.00 0.00 H new ATOM 1224 N PHE A 77 4.238 2.145 4.672 1.00 0.00 N ATOM 1225 CA PHE A 77 4.817 1.156 3.797 1.00 0.00 C ATOM 1226 C PHE A 77 5.764 1.798 2.782 1.00 0.00 C ATOM 1227 O PHE A 77 5.592 2.923 2.345 1.00 0.00 O ATOM 1228 CB PHE A 77 3.710 0.406 3.063 1.00 0.00 C ATOM 1229 CG PHE A 77 3.733 -1.047 3.459 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.909 -1.779 3.300 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.583 -1.671 3.966 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.945 -3.127 3.639 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.622 -3.022 4.306 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.809 -3.747 4.137 1.00 0.00 C ATOM 0 H PHE A 77 4.095 3.073 4.273 1.00 0.00 H new ATOM 0 HA PHE A 77 5.393 0.460 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.741 0.843 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.845 0.502 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.795 -1.298 2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.671 -1.106 4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.858 -3.691 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.741 -3.508 4.698 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.839 -4.795 4.396 1.00 0.00 H new ATOM 1244 N HIS A 78 6.774 1.062 2.429 1.00 0.00 N ATOM 1245 CA HIS A 78 7.745 1.559 1.481 1.00 0.00 C ATOM 1246 C HIS A 78 8.106 0.458 0.484 1.00 0.00 C ATOM 1247 O HIS A 78 7.852 -0.702 0.687 1.00 0.00 O ATOM 1248 CB HIS A 78 9.021 2.050 2.194 1.00 0.00 C ATOM 1249 CG HIS A 78 9.867 2.809 1.200 1.00 0.00 C ATOM 1250 ND1 HIS A 78 10.681 2.151 0.299 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.001 4.153 0.899 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.242 3.079 -0.488 1.00 0.00 C ATOM 1253 NE2 HIS A 78 10.865 4.306 -0.163 1.00 0.00 N ATOM 0 H HIS A 78 6.953 0.120 2.776 1.00 0.00 H new ATOM 0 HA HIS A 78 7.301 2.403 0.953 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.761 2.691 3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.578 1.204 2.597 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.828 1.143 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.504 4.959 1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.923 2.852 -1.295 1.00 0.00 H new ATOM 1261 N PHE A 79 8.689 0.860 -0.590 1.00 0.00 N ATOM 1262 CA PHE A 79 9.101 -0.052 -1.647 1.00 0.00 C ATOM 1263 C PHE A 79 10.494 0.377 -2.093 1.00 0.00 C ATOM 1264 O PHE A 79 10.679 1.530 -2.371 1.00 0.00 O ATOM 1265 CB PHE A 79 8.185 0.133 -2.852 1.00 0.00 C ATOM 1266 CG PHE A 79 6.724 0.141 -2.474 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.159 1.249 -1.821 1.00 0.00 C ATOM 1268 CD2 PHE A 79 5.921 -0.948 -2.816 1.00 0.00 C ATOM 1269 CE1 PHE A 79 4.790 1.251 -1.507 1.00 0.00 C ATOM 1270 CE2 PHE A 79 4.564 -0.944 -2.496 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.001 0.148 -1.842 1.00 0.00 C ATOM 0 H PHE A 79 8.905 1.839 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 79 9.071 -1.082 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.432 1.070 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.367 -0.668 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.775 2.097 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.351 -1.795 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.349 2.102 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.947 -1.791 -2.757 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.950 0.143 -1.593 1.00 0.00 H new ATOM 1346 N ALA A 85 13.485 0.427 -7.098 1.00 0.00 N ATOM 1347 CA ALA A 85 12.876 1.587 -6.437 1.00 0.00 C ATOM 1348 C ALA A 85 12.626 2.736 -7.410 1.00 0.00 C ATOM 1349 O ALA A 85 13.350 3.711 -7.441 1.00 0.00 O ATOM 1350 CB ALA A 85 13.814 2.100 -5.343 1.00 0.00 C ATOM 0 HA ALA A 85 11.922 1.258 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.363 2.962 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.983 1.311 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.765 2.393 -5.787 1.00 0.00 H new ATOM 1356 N VAL A 86 11.603 2.630 -8.184 1.00 0.00 N ATOM 1357 CA VAL A 86 11.288 3.691 -9.126 1.00 0.00 C ATOM 1358 C VAL A 86 9.776 3.737 -9.446 1.00 0.00 C ATOM 1359 O VAL A 86 8.937 3.671 -8.567 1.00 0.00 O ATOM 1360 CB VAL A 86 12.099 3.490 -10.410 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.272 4.835 -11.119 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.477 2.919 -10.067 1.00 0.00 C ATOM 0 H VAL A 86 10.965 1.835 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 86 11.554 4.645 -8.671 1.00 0.00 H new ATOM 0 HB VAL A 86 11.571 2.795 -11.063 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.849 4.693 -12.033 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.293 5.244 -11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.798 5.528 -10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.051 2.778 -10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.005 3.612 -9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.358 1.961 -9.562 1.00 0.00 H new ATOM 1372 N LYS A 87 9.437 3.882 -10.711 1.00 0.00 N ATOM 1373 CA LYS A 87 8.042 3.972 -11.120 1.00 0.00 C ATOM 1374 C LYS A 87 7.212 2.813 -10.565 1.00 0.00 C ATOM 1375 O LYS A 87 6.108 3.011 -10.118 1.00 0.00 O ATOM 1376 CB LYS A 87 7.969 3.950 -12.648 1.00 0.00 C ATOM 1377 CG LYS A 87 7.429 5.289 -13.154 1.00 0.00 C ATOM 1378 CD LYS A 87 6.525 5.050 -14.365 1.00 0.00 C ATOM 1379 CE LYS A 87 5.847 6.362 -14.762 1.00 0.00 C ATOM 1380 NZ LYS A 87 5.538 6.341 -16.219 1.00 0.00 N ATOM 0 H LYS A 87 10.107 3.941 -11.478 1.00 0.00 H new ATOM 0 HA LYS A 87 7.632 4.901 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.958 3.763 -13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.323 3.137 -12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.871 5.790 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.255 5.946 -13.427 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.111 4.664 -15.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.773 4.297 -14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.931 6.499 -14.187 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.498 7.205 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.077 7.233 -16.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.420 6.230 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.901 5.545 -16.427 1.00 0.00 H new ATOM 1394 N GLU A 88 7.720 1.612 -10.604 1.00 0.00 N ATOM 1395 CA GLU A 88 6.964 0.466 -10.097 1.00 0.00 C ATOM 1396 C GLU A 88 6.189 0.859 -8.831 1.00 0.00 C ATOM 1397 O GLU A 88 4.977 1.033 -8.826 1.00 0.00 O ATOM 1398 CB GLU A 88 7.953 -0.652 -9.728 1.00 0.00 C ATOM 1399 CG GLU A 88 9.322 -0.056 -9.370 1.00 0.00 C ATOM 1400 CD GLU A 88 10.287 -0.270 -10.538 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.554 -1.416 -10.859 1.00 0.00 O ATOM 1402 OE2 GLU A 88 10.744 0.717 -11.092 1.00 0.00 O ATOM 0 H GLU A 88 8.643 1.387 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 88 6.265 0.133 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.567 -1.225 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.057 -1.345 -10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.223 1.008 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.713 -0.528 -8.469 1.00 0.00 H new ATOM 1409 N ARG A 89 6.902 1.012 -7.768 1.00 0.00 N ATOM 1410 CA ARG A 89 6.302 1.397 -6.512 1.00 0.00 C ATOM 1411 C ARG A 89 5.557 2.708 -6.749 1.00 0.00 C ATOM 1412 O ARG A 89 4.442 2.909 -6.312 1.00 0.00 O ATOM 1413 CB ARG A 89 7.427 1.581 -5.495 1.00 0.00 C ATOM 1414 CG ARG A 89 8.476 0.467 -5.688 1.00 0.00 C ATOM 1415 CD ARG A 89 7.768 -0.888 -5.834 1.00 0.00 C ATOM 1416 NE ARG A 89 8.737 -1.904 -6.195 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.430 -3.170 -6.095 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.261 -3.529 -5.635 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.294 -4.081 -6.451 1.00 0.00 N ATOM 0 H ARG A 89 7.912 0.878 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 89 5.605 0.649 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.891 2.559 -5.622 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.026 1.547 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.079 0.671 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.157 0.443 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.276 -1.156 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.991 -0.824 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 89 9.661 -1.630 -6.528 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.584 -2.820 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.025 -4.518 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.209 -3.805 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.054 -5.069 -6.373 1.00 0.00 H new ATOM 1433 N ASP A 90 6.186 3.583 -7.477 1.00 0.00 N ATOM 1434 CA ASP A 90 5.568 4.855 -7.798 1.00 0.00 C ATOM 1435 C ASP A 90 4.241 4.595 -8.535 1.00 0.00 C ATOM 1436 O ASP A 90 3.424 5.481 -8.693 1.00 0.00 O ATOM 1437 CB ASP A 90 6.500 5.670 -8.697 1.00 0.00 C ATOM 1438 CG ASP A 90 6.415 7.148 -8.311 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.426 7.775 -8.656 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.341 7.629 -7.679 1.00 0.00 O ATOM 0 H ASP A 90 7.121 3.450 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 90 5.379 5.412 -6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.525 5.314 -8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.221 5.539 -9.742 1.00 0.00 H new ATOM 1445 N ALA A 91 4.003 3.375 -8.952 1.00 0.00 N ATOM 1446 CA ALA A 91 2.764 3.060 -9.629 1.00 0.00 C ATOM 1447 C ALA A 91 1.771 2.520 -8.603 1.00 0.00 C ATOM 1448 O ALA A 91 0.593 2.844 -8.621 1.00 0.00 O ATOM 1449 CB ALA A 91 3.022 1.999 -10.700 1.00 0.00 C ATOM 0 H ALA A 91 4.643 2.589 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 91 2.360 3.954 -10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.088 1.762 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.744 2.380 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.418 1.098 -10.232 1.00 0.00 H new ATOM 1455 N VAL A 92 2.243 1.751 -7.657 1.00 0.00 N ATOM 1456 CA VAL A 92 1.343 1.274 -6.637 1.00 0.00 C ATOM 1457 C VAL A 92 0.887 2.509 -5.873 1.00 0.00 C ATOM 1458 O VAL A 92 -0.272 2.681 -5.551 1.00 0.00 O ATOM 1459 CB VAL A 92 2.081 0.287 -5.725 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.721 1.007 -4.542 1.00 0.00 C ATOM 1461 CG2 VAL A 92 1.098 -0.765 -5.206 1.00 0.00 C ATOM 0 H VAL A 92 3.213 1.448 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 92 0.485 0.744 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 92 2.869 -0.192 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.238 0.283 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.435 1.744 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.948 1.509 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.624 -1.466 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.304 -0.275 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.664 -1.305 -6.048 1.00 0.00 H new ATOM 1471 N LYS A 93 1.812 3.393 -5.634 1.00 0.00 N ATOM 1472 CA LYS A 93 1.491 4.632 -4.965 1.00 0.00 C ATOM 1473 C LYS A 93 0.602 5.433 -5.922 1.00 0.00 C ATOM 1474 O LYS A 93 -0.370 6.044 -5.501 1.00 0.00 O ATOM 1475 CB LYS A 93 2.791 5.391 -4.658 1.00 0.00 C ATOM 1476 CG LYS A 93 2.526 6.897 -4.523 1.00 0.00 C ATOM 1477 CD LYS A 93 3.849 7.653 -4.649 1.00 0.00 C ATOM 1478 CE LYS A 93 4.133 7.943 -6.122 1.00 0.00 C ATOM 1479 NZ LYS A 93 4.156 9.416 -6.343 1.00 0.00 N ATOM 0 H LYS A 93 2.794 3.285 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 93 0.972 4.463 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.230 5.011 -3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.516 5.215 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.830 7.227 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.061 7.112 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.802 8.585 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.659 7.063 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.089 7.506 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.369 7.482 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.349 9.614 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.234 9.821 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.901 9.844 -5.756 1.00 0.00 H new ATOM 1493 N ASP A 94 0.935 5.406 -7.213 1.00 0.00 N ATOM 1494 CA ASP A 94 0.144 6.114 -8.217 1.00 0.00 C ATOM 1495 C ASP A 94 -1.300 5.640 -8.121 1.00 0.00 C ATOM 1496 O ASP A 94 -2.222 6.338 -8.498 1.00 0.00 O ATOM 1497 CB ASP A 94 0.685 5.824 -9.618 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.131 6.602 -10.652 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.856 7.499 -10.254 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.017 6.286 -11.825 1.00 0.00 O ATOM 0 H ASP A 94 1.742 4.905 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 94 0.202 7.187 -8.036 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.735 6.108 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.631 4.755 -9.826 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.510 4.475 -7.569 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.872 3.992 -7.388 1.00 0.00 C ATOM 1507 C LEU A 95 -3.374 4.436 -5.993 1.00 0.00 C ATOM 1508 O LEU A 95 -4.493 4.899 -5.832 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.898 2.464 -7.480 1.00 0.00 C ATOM 1510 CG LEU A 95 -3.053 2.036 -8.942 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -4.263 2.738 -9.561 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.792 2.411 -9.723 1.00 0.00 C ATOM 0 H LEU A 95 -0.778 3.846 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.516 4.403 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.979 2.050 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.722 2.069 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.201 0.957 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.369 2.430 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.163 2.467 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.120 3.818 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.904 2.106 -10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.642 3.490 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.930 1.905 -9.287 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.547 4.276 -4.985 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.920 4.652 -3.619 1.00 0.00 C ATOM 1526 C LEU A 96 -3.772 5.929 -3.610 1.00 0.00 C ATOM 1527 O LEU A 96 -4.953 5.910 -3.311 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.640 4.938 -2.832 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.908 3.638 -2.481 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.129 3.929 -1.402 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.909 2.609 -1.957 1.00 0.00 C ATOM 0 H LEU A 96 -1.608 3.888 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.494 3.837 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.984 5.581 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.884 5.480 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.418 3.242 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.655 3.009 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.843 4.664 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.369 4.321 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.385 1.686 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.399 3.000 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.657 2.407 -2.723 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.167 7.036 -3.944 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.887 8.318 -3.977 1.00 0.00 C ATOM 1545 C GLN A 97 -5.099 8.263 -4.920 1.00 0.00 C ATOM 1546 O GLN A 97 -5.831 9.222 -5.059 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.978 9.438 -4.471 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.694 9.277 -5.964 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.787 8.083 -6.148 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.587 8.221 -6.276 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -2.321 6.906 -6.171 1.00 0.00 N ATOM 0 H GLN A 97 -2.181 7.096 -4.199 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.218 8.511 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.448 10.404 -4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.042 9.427 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.624 9.136 -6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.223 10.177 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.330 6.801 -6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.734 6.082 -6.298 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.317 7.158 -5.550 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.442 7.027 -6.443 1.00 0.00 C ATOM 1562 C GLN A 98 -7.557 6.259 -5.726 1.00 0.00 C ATOM 1563 O GLN A 98 -8.726 6.451 -5.993 1.00 0.00 O ATOM 1564 CB GLN A 98 -6.018 6.264 -7.701 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.736 6.844 -8.921 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.277 5.704 -9.785 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -8.391 5.258 -9.596 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.529 5.208 -10.734 1.00 0.00 N ATOM 0 H GLN A 98 -4.735 6.324 -5.469 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.800 8.015 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.939 6.335 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.258 5.206 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.553 7.491 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.049 7.460 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.593 5.582 -10.894 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.880 4.447 -11.315 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.201 5.396 -4.808 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.224 4.643 -4.085 1.00 0.00 C ATOM 1579 C LEU A 99 -8.683 5.456 -2.877 1.00 0.00 C ATOM 1580 O LEU A 99 -9.830 5.411 -2.485 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.679 3.304 -3.564 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.501 2.813 -4.406 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.327 2.545 -3.478 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.867 1.511 -5.104 1.00 0.00 C ATOM 0 H LEU A 99 -6.238 5.192 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.044 4.451 -4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.364 3.417 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.473 2.557 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.248 3.567 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.476 2.193 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.056 3.464 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.606 1.785 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.022 1.169 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.114 0.755 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.727 1.675 -5.753 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.777 6.169 -2.264 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.116 6.949 -1.087 1.00 0.00 C ATOM 1598 C LEU A 100 -9.450 7.650 -1.339 1.00 0.00 C ATOM 1599 O LEU A 100 -10.303 7.708 -0.477 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.002 7.973 -0.813 1.00 0.00 C ATOM 1601 CG LEU A 100 -7.553 9.167 -0.023 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -6.446 9.747 0.855 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -8.042 10.247 -0.992 1.00 0.00 C ATOM 0 H LEU A 100 -6.801 6.231 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.209 6.305 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.195 7.500 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.577 8.318 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.384 8.834 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.835 10.596 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.093 8.983 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.618 10.077 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.433 11.093 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.212 10.579 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.830 9.838 -1.625 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.584 8.127 -2.541 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.844 8.792 -2.928 1.00 0.00 C ATOM 1617 C PRO A 101 -12.026 7.818 -2.802 1.00 0.00 C ATOM 1618 O PRO A 101 -13.117 8.182 -2.412 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.613 9.170 -4.389 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.095 9.226 -4.609 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.463 8.438 -3.465 1.00 0.00 C ATOM 0 HA PRO A 101 -11.085 9.649 -2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.071 8.437 -5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.070 10.134 -4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.826 8.794 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.741 10.257 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.989 7.527 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.690 9.022 -2.964 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.798 6.588 -3.150 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.838 5.572 -3.093 1.00 0.00 C ATOM 1631 C LYS A 102 -13.558 5.592 -1.742 1.00 0.00 C ATOM 1632 O LYS A 102 -14.770 5.562 -1.670 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.163 4.212 -3.241 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.200 3.095 -3.174 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.980 2.128 -4.338 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.323 1.541 -4.778 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.128 0.131 -5.219 1.00 0.00 N ATOM 0 H LYS A 102 -10.895 6.248 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.565 5.763 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.629 4.165 -4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.423 4.078 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.118 2.564 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.205 3.514 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.508 2.648 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.303 1.328 -4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.036 1.581 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.742 2.133 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.040 -0.269 -5.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.461 0.106 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.746 -0.430 -4.431 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.816 5.597 -0.677 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.422 5.567 0.646 1.00 0.00 C ATOM 1653 C PHE A 103 -13.101 6.861 1.393 1.00 0.00 C ATOM 1654 O PHE A 103 -13.509 7.054 2.521 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.840 4.382 1.434 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.407 4.217 1.011 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.114 3.494 -0.146 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.383 4.837 1.735 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.798 3.387 -0.585 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.059 4.723 1.302 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.767 4.001 0.139 1.00 0.00 C ATOM 0 H PHE A 103 -11.796 5.621 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.502 5.463 0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.904 4.566 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.406 3.473 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.909 3.017 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.615 5.402 2.626 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.571 2.831 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.264 5.191 1.863 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.745 3.917 -0.201 1.00 0.00 H new