USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 LYS NZ :NH3+ -107:sc= 0.154 (180deg=-1.6!) USER MOD Set 1.2: A 97 GLN : amide:sc= -13.5! C(o=-13!,f=-30!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -9.59! C(o=-12!,f=-9.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -127:sc= -2.04! (180deg=-5.09!) USER MOD Single : A 20 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.13) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -120:sc= -7.13! (180deg=-11.6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -11.9! C(o=-15!,f=-12!) USER MOD Single : A 46 MET CE :methyl 170:sc= -0.111 (180deg=-0.318) USER MOD Single : A 47 TYR OH : rot 165:sc= -3.53! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 64:sc= -2.36! USER MOD Single : A 53 GLN : amide:sc= -8.85! C(o=-8.8!,f=-9.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0102 F(o=-0.77,f=-0.01) USER MOD Single : A 66 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.75) USER MOD Single : A 70 HIS : no HD1:sc= -6.28! C(o=-6.3!,f=-6.2!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0795 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -3.52 K(o=-3.5,f=-4.8!) USER MOD Single : A 78 HIS : no HE2:sc= -23.6! C(o=-24!,f=-28!) USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0049) USER MOD Single : A 98 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.092) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.792 -6.240 -6.830 1.00 0.00 N ATOM 97 CA VAL A 8 -7.612 -5.632 -6.250 1.00 0.00 C ATOM 98 C VAL A 8 -6.906 -4.800 -7.319 1.00 0.00 C ATOM 99 O VAL A 8 -7.082 -5.007 -8.503 1.00 0.00 O ATOM 100 CB VAL A 8 -6.676 -6.724 -5.705 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.515 -7.867 -5.133 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.781 -7.273 -6.822 1.00 0.00 C ATOM 0 HA VAL A 8 -7.896 -4.983 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.047 -6.290 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.856 -8.644 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.143 -7.489 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.145 -8.285 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.126 -8.044 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.402 -7.701 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.178 -6.465 -7.235 1.00 0.00 H new ATOM 112 N LEU A 9 -6.159 -3.818 -6.906 1.00 0.00 N ATOM 113 CA LEU A 9 -5.521 -2.951 -7.881 1.00 0.00 C ATOM 114 C LEU A 9 -4.043 -3.313 -8.141 1.00 0.00 C ATOM 115 O LEU A 9 -3.615 -3.271 -9.277 1.00 0.00 O ATOM 116 CB LEU A 9 -5.611 -1.504 -7.402 1.00 0.00 C ATOM 117 CG LEU A 9 -4.886 -0.596 -8.394 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.340 -0.923 -9.818 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.217 0.864 -8.078 1.00 0.00 C ATOM 0 H LEU A 9 -5.973 -3.592 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.051 -3.085 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.655 -1.203 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.165 -1.409 -6.412 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.811 -0.755 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.821 -0.274 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.108 -1.964 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.415 -0.765 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.701 1.515 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.293 1.019 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.893 1.099 -7.064 1.00 0.00 H new ATOM 131 N LEU A 10 -3.231 -3.658 -7.163 1.00 0.00 N ATOM 132 CA LEU A 10 -1.854 -3.969 -7.526 1.00 0.00 C ATOM 133 C LEU A 10 -1.108 -4.650 -6.383 1.00 0.00 C ATOM 134 O LEU A 10 -1.522 -4.623 -5.245 1.00 0.00 O ATOM 135 CB LEU A 10 -1.124 -2.679 -7.898 1.00 0.00 C ATOM 136 CG LEU A 10 -0.040 -2.985 -8.933 1.00 0.00 C ATOM 137 CD1 LEU A 10 -0.675 -3.642 -10.159 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.644 -1.682 -9.351 1.00 0.00 C ATOM 0 H LEU A 10 -3.471 -3.729 -6.174 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.879 -4.655 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.830 -1.952 -8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.677 -2.232 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 10 0.696 -3.662 -8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.098 -3.860 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.165 -4.569 -9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.411 -2.966 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.417 -1.897 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.094 -1.007 -9.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.097 -1.212 -8.478 1.00 0.00 H new ATOM 150 N ILE A 11 0.005 -5.257 -6.700 1.00 0.00 N ATOM 151 CA ILE A 11 0.798 -5.931 -5.689 1.00 0.00 C ATOM 152 C ILE A 11 2.288 -5.676 -5.962 1.00 0.00 C ATOM 153 O ILE A 11 2.729 -5.674 -7.094 1.00 0.00 O ATOM 154 CB ILE A 11 0.503 -7.435 -5.738 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.655 -8.222 -5.087 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.327 -7.875 -7.195 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.804 -8.413 -6.084 1.00 0.00 C ATOM 0 H ILE A 11 0.387 -5.302 -7.644 1.00 0.00 H new ATOM 0 HA ILE A 11 0.546 -5.549 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.415 -7.638 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.014 -7.690 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.294 -9.193 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.117 -8.944 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.503 -7.328 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.241 -7.666 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.610 -8.971 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.444 -8.965 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.176 -7.439 -6.402 1.00 0.00 H new ATOM 169 N VAL A 12 3.064 -5.466 -4.933 1.00 0.00 N ATOM 170 CA VAL A 12 4.483 -5.225 -5.137 1.00 0.00 C ATOM 171 C VAL A 12 5.326 -6.193 -4.298 1.00 0.00 C ATOM 172 O VAL A 12 5.520 -6.024 -3.110 1.00 0.00 O ATOM 173 CB VAL A 12 4.847 -3.782 -4.785 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.545 -2.884 -5.983 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.037 -3.307 -3.580 1.00 0.00 C ATOM 0 H VAL A 12 2.755 -5.455 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 12 4.700 -5.393 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 12 5.907 -3.733 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.802 -1.853 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.133 -3.211 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.484 -2.946 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.308 -2.278 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.974 -3.358 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.251 -3.946 -2.723 1.00 0.00 H new ATOM 185 N LYS A 13 5.831 -7.199 -4.947 1.00 0.00 N ATOM 186 CA LYS A 13 6.670 -8.210 -4.321 1.00 0.00 C ATOM 187 C LYS A 13 7.827 -7.591 -3.538 1.00 0.00 C ATOM 188 O LYS A 13 8.434 -8.221 -2.696 1.00 0.00 O ATOM 189 CB LYS A 13 7.212 -9.121 -5.421 1.00 0.00 C ATOM 190 CG LYS A 13 8.582 -8.644 -5.925 1.00 0.00 C ATOM 191 CD LYS A 13 8.425 -7.301 -6.638 1.00 0.00 C ATOM 192 CE LYS A 13 8.511 -7.515 -8.150 1.00 0.00 C ATOM 193 NZ LYS A 13 7.146 -7.442 -8.741 1.00 0.00 N ATOM 0 H LYS A 13 5.677 -7.354 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 13 6.070 -8.774 -3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.297 -10.139 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.507 -9.148 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.274 -8.545 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.008 -9.381 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.468 -6.848 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.203 -6.611 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.154 -6.758 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.961 -8.484 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.205 -7.588 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.546 -8.180 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.733 -6.507 -8.547 1.00 0.00 H new ATOM 207 N LYS A 14 8.132 -6.375 -3.812 1.00 0.00 N ATOM 208 CA LYS A 14 9.224 -5.736 -3.098 1.00 0.00 C ATOM 209 C LYS A 14 8.723 -4.568 -2.238 1.00 0.00 C ATOM 210 O LYS A 14 8.332 -3.537 -2.747 1.00 0.00 O ATOM 211 CB LYS A 14 10.267 -5.208 -4.092 1.00 0.00 C ATOM 212 CG LYS A 14 11.613 -5.877 -3.811 1.00 0.00 C ATOM 213 CD LYS A 14 11.454 -7.397 -3.884 1.00 0.00 C ATOM 214 CE LYS A 14 12.834 -8.053 -3.963 1.00 0.00 C ATOM 215 NZ LYS A 14 12.717 -9.384 -4.623 1.00 0.00 N ATOM 0 H LYS A 14 7.664 -5.795 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 14 9.673 -6.485 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.951 -5.416 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.359 -4.126 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.355 -5.543 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.977 -5.586 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.917 -7.759 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.860 -7.669 -4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.519 -7.417 -4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.251 -8.167 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.656 -9.829 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.077 -9.990 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.336 -9.263 -5.583 1.00 0.00 H new ATOM 229 N VAL A 15 8.836 -4.680 -0.932 1.00 0.00 N ATOM 230 CA VAL A 15 8.481 -3.542 -0.122 1.00 0.00 C ATOM 231 C VAL A 15 9.295 -3.537 1.164 1.00 0.00 C ATOM 232 O VAL A 15 9.673 -4.563 1.693 1.00 0.00 O ATOM 233 CB VAL A 15 6.977 -3.464 0.105 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.663 -2.514 1.258 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.357 -2.910 -1.171 1.00 0.00 C ATOM 0 H VAL A 15 9.156 -5.508 -0.429 1.00 0.00 H new ATOM 0 HA VAL A 15 8.737 -2.629 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 15 6.582 -4.450 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.584 -2.468 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.141 -2.876 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.039 -1.518 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.276 -2.838 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.766 -1.920 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.585 -3.575 -2.004 1.00 0.00 H new ATOM 245 N ARG A 16 9.587 -2.367 1.642 1.00 0.00 N ATOM 246 CA ARG A 16 10.379 -2.218 2.835 1.00 0.00 C ATOM 247 C ARG A 16 9.621 -1.368 3.826 1.00 0.00 C ATOM 248 O ARG A 16 9.163 -0.286 3.516 1.00 0.00 O ATOM 249 CB ARG A 16 11.680 -1.508 2.470 1.00 0.00 C ATOM 250 CG ARG A 16 12.473 -1.192 3.738 1.00 0.00 C ATOM 251 CD ARG A 16 13.173 -2.454 4.251 1.00 0.00 C ATOM 252 NE ARG A 16 14.025 -3.010 3.213 1.00 0.00 N ATOM 253 CZ ARG A 16 14.983 -3.843 3.525 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.195 -4.171 4.772 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.733 -4.349 2.585 1.00 0.00 N ATOM 0 H ARG A 16 9.287 -1.488 1.222 1.00 0.00 H new ATOM 0 HA ARG A 16 10.590 -3.195 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.274 -2.137 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.463 -0.588 1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.211 -0.417 3.531 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.805 -0.800 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.769 -2.216 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.431 -3.192 4.557 1.00 0.00 H new ATOM 0 HE ARG A 16 13.875 -2.749 2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.611 -3.776 5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.944 -4.822 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.571 -4.094 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.481 -4.999 2.824 1.00 0.00 H new ATOM 269 N GLN A 17 9.496 -1.833 5.021 1.00 0.00 N ATOM 270 CA GLN A 17 8.805 -1.057 6.001 1.00 0.00 C ATOM 271 C GLN A 17 9.645 -1.092 7.273 1.00 0.00 C ATOM 272 O GLN A 17 10.271 -2.088 7.575 1.00 0.00 O ATOM 273 CB GLN A 17 7.407 -1.648 6.218 1.00 0.00 C ATOM 274 CG GLN A 17 7.516 -2.980 6.924 1.00 0.00 C ATOM 275 CD GLN A 17 6.710 -4.033 6.169 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.463 -4.239 6.495 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 7.219 -4.677 5.273 1.00 0.00 N flip ATOM 0 H GLN A 17 9.855 -2.731 5.343 1.00 0.00 H new ATOM 0 HA GLN A 17 8.671 -0.022 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.800 -0.962 6.809 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.903 -1.775 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.561 -3.284 6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.148 -2.891 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.194 -4.515 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.672 -5.379 4.775 1.00 0.00 H new ATOM 286 N LYS A 18 9.762 0.026 7.936 1.00 0.00 N ATOM 287 CA LYS A 18 10.646 0.120 9.094 1.00 0.00 C ATOM 288 C LYS A 18 10.643 -1.183 9.911 1.00 0.00 C ATOM 289 O LYS A 18 11.597 -1.474 10.605 1.00 0.00 O ATOM 290 CB LYS A 18 10.183 1.271 9.988 1.00 0.00 C ATOM 291 CG LYS A 18 11.119 2.468 9.806 1.00 0.00 C ATOM 292 CD LYS A 18 10.587 3.368 8.689 1.00 0.00 C ATOM 293 CE LYS A 18 11.537 4.551 8.492 1.00 0.00 C ATOM 294 NZ LYS A 18 10.957 5.766 9.131 1.00 0.00 N ATOM 0 H LYS A 18 9.265 0.887 7.706 1.00 0.00 H new ATOM 0 HA LYS A 18 11.660 0.297 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.161 1.553 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.178 0.956 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.192 3.031 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.124 2.123 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.498 2.801 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.589 3.727 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.510 4.326 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.699 4.728 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.603 6.570 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.038 5.983 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.825 5.594 10.148 1.00 0.00 H new ATOM 308 N LYS A 19 9.625 -1.990 9.819 1.00 0.00 N ATOM 309 CA LYS A 19 9.644 -3.235 10.552 1.00 0.00 C ATOM 310 C LYS A 19 10.472 -4.285 9.775 1.00 0.00 C ATOM 311 O LYS A 19 11.356 -4.927 10.305 1.00 0.00 O ATOM 312 CB LYS A 19 8.177 -3.741 10.758 1.00 0.00 C ATOM 313 CG LYS A 19 7.759 -4.817 9.707 1.00 0.00 C ATOM 314 CD LYS A 19 6.415 -5.459 10.063 1.00 0.00 C ATOM 315 CE LYS A 19 5.491 -4.427 10.717 1.00 0.00 C ATOM 316 NZ LYS A 19 5.787 -4.351 12.175 1.00 0.00 N ATOM 0 H LYS A 19 8.789 -1.821 9.260 1.00 0.00 H new ATOM 0 HA LYS A 19 10.105 -3.079 11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.078 -4.160 11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.493 -2.895 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.694 -4.357 8.721 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.527 -5.588 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.946 -5.860 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.573 -6.298 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.633 -3.450 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.449 -4.705 10.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.908 -4.483 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.466 -5.096 12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.194 -3.420 12.399 1.00 0.00 H new ATOM 330 N GLN A 20 10.077 -4.524 8.564 1.00 0.00 N ATOM 331 CA GLN A 20 10.657 -5.568 7.758 1.00 0.00 C ATOM 332 C GLN A 20 10.569 -5.235 6.284 1.00 0.00 C ATOM 333 O GLN A 20 9.851 -4.351 5.870 1.00 0.00 O ATOM 334 CB GLN A 20 9.930 -6.879 8.023 1.00 0.00 C ATOM 335 CG GLN A 20 10.578 -7.545 9.225 1.00 0.00 C ATOM 336 CD GLN A 20 11.189 -8.884 8.808 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.534 -9.697 8.186 1.00 0.00 O ATOM 338 NE2 GLN A 20 12.426 -9.149 9.126 1.00 0.00 N ATOM 0 H GLN A 20 9.337 -3.999 8.097 1.00 0.00 H new ATOM 0 HA GLN A 20 11.709 -5.662 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.873 -6.696 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.988 -7.529 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.349 -6.896 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.837 -7.701 10.009 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.976 -8.467 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.844 -10.039 8.853 1.00 0.00 H new ATOM 347 N ASP A 21 11.243 -5.981 5.478 1.00 0.00 N ATOM 348 CA ASP A 21 11.134 -5.756 4.070 1.00 0.00 C ATOM 349 C ASP A 21 10.272 -6.934 3.672 1.00 0.00 C ATOM 350 O ASP A 21 10.459 -8.046 4.123 1.00 0.00 O ATOM 351 CB ASP A 21 12.496 -5.810 3.361 1.00 0.00 C ATOM 352 CG ASP A 21 13.565 -6.379 4.301 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.649 -5.913 5.426 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.282 -7.271 3.878 1.00 0.00 O ATOM 0 H ASP A 21 11.865 -6.739 5.757 1.00 0.00 H new ATOM 0 HA ASP A 21 10.737 -4.775 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.423 -6.428 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.784 -4.810 3.035 1.00 0.00 H new ATOM 359 N GLY A 22 9.271 -6.671 2.895 1.00 0.00 N ATOM 360 CA GLY A 22 8.342 -7.704 2.540 1.00 0.00 C ATOM 361 C GLY A 22 7.554 -7.285 1.315 1.00 0.00 C ATOM 362 O GLY A 22 7.599 -6.138 0.899 1.00 0.00 O ATOM 0 H GLY A 22 9.073 -5.755 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.876 -8.633 2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.664 -7.898 3.371 1.00 0.00 H new ATOM 366 N ALA A 23 6.870 -8.195 0.695 1.00 0.00 N ATOM 367 CA ALA A 23 6.126 -7.839 -0.476 1.00 0.00 C ATOM 368 C ALA A 23 4.767 -7.290 -0.056 1.00 0.00 C ATOM 369 O ALA A 23 4.136 -7.740 0.879 1.00 0.00 O ATOM 370 CB ALA A 23 5.926 -9.075 -1.352 1.00 0.00 C ATOM 0 H ALA A 23 6.810 -9.175 0.972 1.00 0.00 H new ATOM 0 HA ALA A 23 6.672 -7.082 -1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.360 -8.802 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.897 -9.473 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.378 -9.833 -0.792 1.00 0.00 H new ATOM 376 N LEU A 24 4.392 -6.245 -0.712 1.00 0.00 N ATOM 377 CA LEU A 24 3.178 -5.548 -0.356 1.00 0.00 C ATOM 378 C LEU A 24 2.100 -5.785 -1.411 1.00 0.00 C ATOM 379 O LEU A 24 2.328 -5.708 -2.593 1.00 0.00 O ATOM 380 CB LEU A 24 3.495 -4.054 -0.291 1.00 0.00 C ATOM 381 CG LEU A 24 3.234 -3.495 1.097 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.190 -1.971 0.990 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.898 -4.002 1.630 1.00 0.00 C ATOM 0 H LEU A 24 4.901 -5.845 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 24 2.811 -5.912 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.538 -3.889 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.888 -3.519 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 24 4.022 -3.814 1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.004 -1.542 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.144 -1.605 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.391 -1.677 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.725 -3.593 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.096 -3.685 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.917 -5.091 1.683 1.00 0.00 H new ATOM 395 N TYR A 25 0.917 -6.072 -0.959 1.00 0.00 N ATOM 396 CA TYR A 25 -0.194 -6.306 -1.854 1.00 0.00 C ATOM 397 C TYR A 25 -1.148 -5.143 -1.683 1.00 0.00 C ATOM 398 O TYR A 25 -1.402 -4.724 -0.571 1.00 0.00 O ATOM 399 CB TYR A 25 -0.920 -7.579 -1.429 1.00 0.00 C ATOM 400 CG TYR A 25 -0.400 -8.764 -2.191 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.747 -9.433 -1.751 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.085 -9.210 -3.321 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.215 -10.551 -2.448 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.624 -10.333 -4.018 1.00 0.00 C ATOM 405 CZ TYR A 25 0.528 -11.004 -3.583 1.00 0.00 C ATOM 406 OH TYR A 25 0.983 -12.112 -4.268 1.00 0.00 O ATOM 0 H TYR A 25 0.687 -6.152 0.032 1.00 0.00 H new ATOM 0 HA TYR A 25 0.150 -6.404 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.786 -7.740 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.990 -7.469 -1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.271 -9.086 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.970 -8.690 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.104 -11.065 -2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.155 -10.683 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 25 0.392 -12.292 -5.029 1.00 0.00 H new ATOM 416 N LEU A 26 -1.703 -4.598 -2.723 1.00 0.00 N ATOM 417 CA LEU A 26 -2.615 -3.502 -2.528 1.00 0.00 C ATOM 418 C LEU A 26 -3.969 -3.934 -3.083 1.00 0.00 C ATOM 419 O LEU A 26 -4.057 -4.495 -4.167 1.00 0.00 O ATOM 420 CB LEU A 26 -2.102 -2.273 -3.280 1.00 0.00 C ATOM 421 CG LEU A 26 -3.138 -1.156 -3.202 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.431 0.200 -3.250 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.093 -1.275 -4.389 1.00 0.00 C ATOM 0 H LEU A 26 -1.550 -4.881 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.702 -3.245 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.158 -1.938 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.905 -2.528 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.698 -1.239 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.171 0.998 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.744 0.282 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.873 0.287 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.836 -0.479 -4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.531 -1.188 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.594 -2.242 -4.357 1.00 0.00 H new ATOM 435 N MET A 27 -5.022 -3.653 -2.369 1.00 0.00 N ATOM 436 CA MET A 27 -6.340 -4.020 -2.826 1.00 0.00 C ATOM 437 C MET A 27 -7.227 -2.789 -2.729 1.00 0.00 C ATOM 438 O MET A 27 -7.100 -2.009 -1.805 1.00 0.00 O ATOM 439 CB MET A 27 -6.888 -5.115 -1.912 1.00 0.00 C ATOM 440 CG MET A 27 -8.058 -5.823 -2.588 1.00 0.00 C ATOM 441 SD MET A 27 -8.082 -7.554 -2.063 1.00 0.00 S ATOM 442 CE MET A 27 -9.602 -8.030 -2.917 1.00 0.00 C ATOM 0 H MET A 27 -4.998 -3.172 -1.470 1.00 0.00 H new ATOM 0 HA MET A 27 -6.310 -4.385 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.102 -5.834 -1.681 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.212 -4.682 -0.966 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.997 -5.336 -2.323 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.961 -5.760 -3.672 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.334 -8.380 -2.189 1.00 0.00 H new ATOM 0 HE2 MET A 27 -10.004 -7.169 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.386 -8.829 -3.626 1.00 0.00 H new ATOM 452 N ALA A 28 -8.120 -2.599 -3.664 1.00 0.00 N ATOM 453 CA ALA A 28 -8.982 -1.431 -3.610 1.00 0.00 C ATOM 454 C ALA A 28 -9.448 -1.218 -2.167 1.00 0.00 C ATOM 455 O ALA A 28 -9.322 -0.146 -1.609 1.00 0.00 O ATOM 456 CB ALA A 28 -10.199 -1.665 -4.511 1.00 0.00 C ATOM 0 H ALA A 28 -8.274 -3.219 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.438 -0.550 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.851 -0.792 -4.476 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.867 -1.828 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.746 -2.541 -4.163 1.00 0.00 H new ATOM 462 N GLU A 29 -10.066 -2.210 -1.603 1.00 0.00 N ATOM 463 CA GLU A 29 -10.622 -2.049 -0.276 1.00 0.00 C ATOM 464 C GLU A 29 -9.603 -2.329 0.837 1.00 0.00 C ATOM 465 O GLU A 29 -9.885 -2.067 1.988 1.00 0.00 O ATOM 466 CB GLU A 29 -11.796 -3.014 -0.123 1.00 0.00 C ATOM 467 CG GLU A 29 -12.529 -2.741 1.192 1.00 0.00 C ATOM 468 CD GLU A 29 -13.897 -2.123 0.895 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.612 -2.681 0.079 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.206 -1.103 1.488 1.00 0.00 O ATOM 0 H GLU A 29 -10.202 -3.129 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.936 -1.010 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.483 -2.901 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.437 -4.043 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.651 -3.668 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.941 -2.067 1.815 1.00 0.00 H new ATOM 477 N ARG A 30 -8.430 -2.837 0.565 1.00 0.00 N ATOM 478 CA ARG A 30 -7.519 -3.060 1.682 1.00 0.00 C ATOM 479 C ARG A 30 -6.073 -3.193 1.218 1.00 0.00 C ATOM 480 O ARG A 30 -5.785 -3.438 0.065 1.00 0.00 O ATOM 481 CB ARG A 30 -7.906 -4.332 2.437 1.00 0.00 C ATOM 482 CG ARG A 30 -7.492 -5.565 1.643 1.00 0.00 C ATOM 483 CD ARG A 30 -8.737 -6.364 1.265 1.00 0.00 C ATOM 484 NE ARG A 30 -9.394 -5.712 0.147 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.362 -6.318 -0.491 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.722 -7.525 -0.144 1.00 0.00 N ATOM 487 NH2 ARG A 30 -10.968 -5.720 -1.480 1.00 0.00 N ATOM 0 H ARG A 30 -8.086 -3.095 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.599 -2.191 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.425 -4.343 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.982 -4.347 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.950 -5.268 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.816 -6.182 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.463 -7.385 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.416 -6.429 2.115 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.100 -4.779 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.248 -7.997 0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.477 -7.995 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.687 -4.779 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.723 -6.193 -1.977 1.00 0.00 H new ATOM 501 N ILE A 31 -5.168 -3.048 2.143 1.00 0.00 N ATOM 502 CA ILE A 31 -3.757 -3.176 1.819 1.00 0.00 C ATOM 503 C ILE A 31 -3.232 -4.473 2.450 1.00 0.00 C ATOM 504 O ILE A 31 -3.427 -4.726 3.620 1.00 0.00 O ATOM 505 CB ILE A 31 -2.983 -1.939 2.330 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.710 -1.021 1.137 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.641 -2.345 2.964 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.678 0.038 1.524 1.00 0.00 C ATOM 0 H ILE A 31 -5.368 -2.843 3.122 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.614 -3.224 0.740 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.581 -1.435 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.345 -1.606 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.635 -0.541 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.120 -1.454 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.824 -3.013 3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.028 -2.856 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.487 0.689 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.060 0.631 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.750 -0.450 1.823 1.00 0.00 H new ATOM 520 N ALA A 32 -2.582 -5.300 1.675 1.00 0.00 N ATOM 521 CA ALA A 32 -2.078 -6.556 2.208 1.00 0.00 C ATOM 522 C ALA A 32 -0.560 -6.562 2.210 1.00 0.00 C ATOM 523 O ALA A 32 0.081 -5.859 1.456 1.00 0.00 O ATOM 524 CB ALA A 32 -2.592 -7.716 1.354 1.00 0.00 C ATOM 0 H ALA A 32 -2.387 -5.139 0.687 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.430 -6.668 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.214 -8.657 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.682 -7.726 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.247 -7.593 0.327 1.00 0.00 H new ATOM 530 N TRP A 33 0.021 -7.353 3.066 1.00 0.00 N ATOM 531 CA TRP A 33 1.462 -7.410 3.133 1.00 0.00 C ATOM 532 C TRP A 33 1.912 -8.847 3.288 1.00 0.00 C ATOM 533 O TRP A 33 1.311 -9.602 3.999 1.00 0.00 O ATOM 534 CB TRP A 33 1.955 -6.655 4.347 1.00 0.00 C ATOM 535 CG TRP A 33 3.437 -6.689 4.335 1.00 0.00 C ATOM 536 CD1 TRP A 33 4.196 -6.371 3.267 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.367 -7.085 5.388 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.520 -6.453 3.638 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.676 -6.906 4.902 1.00 0.00 C ATOM 540 CE3 TRP A 33 4.217 -7.551 6.701 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.796 -7.165 5.664 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.351 -7.837 7.479 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.642 -7.637 6.958 1.00 0.00 C ATOM 0 H TRP A 33 -0.469 -7.962 3.721 1.00 0.00 H new ATOM 0 HA TRP A 33 1.861 -6.973 2.218 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.597 -5.626 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.570 -7.109 5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.829 -6.099 2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.296 -6.200 3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.229 -7.690 7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.783 -7.002 5.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.231 -8.213 8.484 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.510 -7.850 7.564 1.00 0.00 H new ATOM 554 N ALA A 34 2.968 -9.223 2.642 1.00 0.00 N ATOM 555 CA ALA A 34 3.435 -10.591 2.776 1.00 0.00 C ATOM 556 C ALA A 34 4.954 -10.695 2.595 1.00 0.00 C ATOM 557 O ALA A 34 5.508 -10.136 1.671 1.00 0.00 O ATOM 558 CB ALA A 34 2.761 -11.468 1.733 1.00 0.00 C ATOM 0 H ALA A 34 3.522 -8.628 2.026 1.00 0.00 H new ATOM 0 HA ALA A 34 3.182 -10.925 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.114 -12.494 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.681 -11.440 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.004 -11.100 0.736 1.00 0.00 H new ATOM 564 N PRO A 35 5.573 -11.459 3.466 1.00 0.00 N ATOM 565 CA PRO A 35 7.031 -11.662 3.329 1.00 0.00 C ATOM 566 C PRO A 35 7.284 -13.119 2.928 1.00 0.00 C ATOM 567 O PRO A 35 7.897 -13.401 1.917 1.00 0.00 O ATOM 568 CB PRO A 35 7.633 -11.376 4.709 1.00 0.00 C ATOM 569 CG PRO A 35 6.466 -11.083 5.671 1.00 0.00 C ATOM 570 CD PRO A 35 5.166 -11.179 4.864 1.00 0.00 C ATOM 0 HA PRO A 35 7.474 -11.014 2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.213 -12.230 5.059 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.314 -10.526 4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.460 -11.797 6.494 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.572 -10.091 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.525 -11.971 5.250 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.598 -10.251 4.927 1.00 0.00 H new ATOM 678 N THR A 42 0.525 -11.647 4.454 1.00 0.00 N ATOM 679 CA THR A 42 0.673 -11.734 5.890 1.00 0.00 C ATOM 680 C THR A 42 -0.441 -10.912 6.577 1.00 0.00 C ATOM 681 O THR A 42 -0.963 -11.303 7.602 1.00 0.00 O ATOM 682 CB THR A 42 2.092 -11.238 6.272 1.00 0.00 C ATOM 683 OG1 THR A 42 2.488 -11.844 7.493 1.00 0.00 O ATOM 684 CG2 THR A 42 2.150 -9.715 6.425 1.00 0.00 C ATOM 0 HA THR A 42 0.569 -12.764 6.231 1.00 0.00 H new ATOM 0 HB THR A 42 2.769 -11.518 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.385 -11.534 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.163 -9.415 6.693 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.869 -9.244 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.460 -9.401 7.208 1.00 0.00 H new ATOM 692 N ILE A 43 -0.806 -9.781 6.024 1.00 0.00 N ATOM 693 CA ILE A 43 -1.856 -8.976 6.643 1.00 0.00 C ATOM 694 C ILE A 43 -2.727 -8.336 5.559 1.00 0.00 C ATOM 695 O ILE A 43 -2.416 -8.393 4.385 1.00 0.00 O ATOM 696 CB ILE A 43 -1.252 -7.897 7.588 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.455 -6.471 7.040 1.00 0.00 C ATOM 698 CG2 ILE A 43 0.244 -8.136 7.790 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.770 -6.326 5.679 1.00 0.00 C ATOM 0 H ILE A 43 -0.409 -9.395 5.167 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.482 -9.628 7.253 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.778 -7.984 8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.520 -6.258 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.046 -5.743 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.648 -7.372 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.399 -9.120 8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.753 -8.087 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.920 -5.314 5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.298 -6.518 5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.199 -7.042 4.978 1.00 0.00 H new ATOM 711 N SER A 44 -3.812 -7.719 5.955 1.00 0.00 N ATOM 712 CA SER A 44 -4.695 -7.075 5.005 1.00 0.00 C ATOM 713 C SER A 44 -5.581 -6.091 5.783 1.00 0.00 C ATOM 714 O SER A 44 -6.362 -6.487 6.625 1.00 0.00 O ATOM 715 CB SER A 44 -5.570 -8.128 4.323 1.00 0.00 C ATOM 716 OG SER A 44 -5.602 -9.302 5.125 1.00 0.00 O ATOM 0 H SER A 44 -4.108 -7.647 6.928 1.00 0.00 H new ATOM 0 HA SER A 44 -4.121 -6.550 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.580 -7.743 4.182 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.176 -8.360 3.334 1.00 0.00 H new ATOM 0 HG SER A 44 -6.163 -9.979 4.692 1.00 0.00 H new ATOM 722 N HIS A 45 -5.455 -4.814 5.532 1.00 0.00 N ATOM 723 CA HIS A 45 -6.262 -3.851 6.273 1.00 0.00 C ATOM 724 C HIS A 45 -7.313 -3.232 5.362 1.00 0.00 C ATOM 725 O HIS A 45 -7.005 -2.661 4.334 1.00 0.00 O ATOM 726 CB HIS A 45 -5.398 -2.713 6.807 1.00 0.00 C ATOM 727 CG HIS A 45 -3.943 -3.057 6.706 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.107 -3.104 5.630 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.173 -3.396 7.806 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -1.828 -3.466 6.042 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -1.923 -3.630 7.365 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.821 -4.413 4.840 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.730 -4.388 7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.601 -1.802 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.657 -2.510 7.846 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.378 -2.904 4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.513 -3.461 8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.949 -3.588 5.426 1.00 0.00 H new ATOM 739 N MET A 46 -8.547 -3.304 5.755 1.00 0.00 N ATOM 740 CA MET A 46 -9.588 -2.711 4.948 1.00 0.00 C ATOM 741 C MET A 46 -9.441 -1.190 5.000 1.00 0.00 C ATOM 742 O MET A 46 -9.670 -0.572 6.016 1.00 0.00 O ATOM 743 CB MET A 46 -10.961 -3.119 5.480 1.00 0.00 C ATOM 744 CG MET A 46 -11.637 -4.062 4.484 1.00 0.00 C ATOM 745 SD MET A 46 -13.115 -4.781 5.239 1.00 0.00 S ATOM 746 CE MET A 46 -14.047 -5.037 3.709 1.00 0.00 C ATOM 0 H MET A 46 -8.863 -3.757 6.613 1.00 0.00 H new ATOM 0 HA MET A 46 -9.499 -3.058 3.919 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.856 -3.610 6.448 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.579 -2.235 5.636 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.906 -3.519 3.578 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.946 -4.852 4.189 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.931 -5.639 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.352 -4.072 3.303 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.420 -5.554 2.983 1.00 0.00 H new ATOM 756 N TYR A 47 -9.020 -0.598 3.917 1.00 0.00 N ATOM 757 CA TYR A 47 -8.819 0.839 3.890 1.00 0.00 C ATOM 758 C TYR A 47 -9.929 1.562 4.673 1.00 0.00 C ATOM 759 O TYR A 47 -9.664 2.461 5.440 1.00 0.00 O ATOM 760 CB TYR A 47 -8.791 1.334 2.431 1.00 0.00 C ATOM 761 CG TYR A 47 -7.370 1.354 1.885 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.247 1.477 2.731 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.180 1.279 0.503 1.00 0.00 C ATOM 764 CE1 TYR A 47 -4.962 1.520 2.182 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.899 1.328 -0.034 1.00 0.00 C ATOM 766 CZ TYR A 47 -4.789 1.450 0.801 1.00 0.00 C ATOM 767 OH TYR A 47 -3.520 1.499 0.261 1.00 0.00 O ATOM 0 H TYR A 47 -8.808 -1.078 3.042 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.865 1.065 4.366 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.412 0.686 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.219 2.335 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.380 1.538 3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.033 1.182 -0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.102 1.608 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.763 1.271 -1.104 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.550 1.201 -0.672 1.00 0.00 H new ATOM 777 N ALA A 48 -11.159 1.155 4.542 1.00 0.00 N ATOM 778 CA ALA A 48 -12.205 1.818 5.310 1.00 0.00 C ATOM 779 C ALA A 48 -11.967 1.527 6.794 1.00 0.00 C ATOM 780 O ALA A 48 -12.011 2.399 7.639 1.00 0.00 O ATOM 781 CB ALA A 48 -13.574 1.281 4.887 1.00 0.00 C ATOM 0 H ALA A 48 -11.468 0.395 3.936 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.182 2.893 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.354 1.779 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.728 1.474 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.616 0.207 5.071 1.00 0.00 H new ATOM 787 N ASP A 49 -11.708 0.291 7.090 1.00 0.00 N ATOM 788 CA ASP A 49 -11.456 -0.101 8.460 1.00 0.00 C ATOM 789 C ASP A 49 -10.467 0.889 9.039 1.00 0.00 C ATOM 790 O ASP A 49 -10.431 1.143 10.224 1.00 0.00 O ATOM 791 CB ASP A 49 -10.878 -1.516 8.512 1.00 0.00 C ATOM 792 CG ASP A 49 -11.977 -2.528 8.180 1.00 0.00 C ATOM 793 OD1 ASP A 49 -12.820 -2.208 7.359 1.00 0.00 O ATOM 794 OD2 ASP A 49 -11.956 -3.605 8.753 1.00 0.00 O ATOM 0 H ASP A 49 -11.663 -0.469 6.411 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.383 -0.100 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.055 -1.611 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.470 -1.718 9.502 1.00 0.00 H new ATOM 799 N ILE A 50 -9.615 1.397 8.211 1.00 0.00 N ATOM 800 CA ILE A 50 -8.611 2.294 8.704 1.00 0.00 C ATOM 801 C ILE A 50 -8.893 3.723 8.230 1.00 0.00 C ATOM 802 O ILE A 50 -9.484 3.924 7.192 1.00 0.00 O ATOM 803 CB ILE A 50 -7.258 1.828 8.168 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.277 1.698 6.637 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.931 0.464 8.765 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.046 3.062 5.987 1.00 0.00 C ATOM 0 H ILE A 50 -9.588 1.214 7.208 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.612 2.291 9.794 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.508 2.568 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.506 0.999 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.234 1.290 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.967 0.123 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.888 0.543 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.704 -0.251 8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.062 2.956 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.833 3.750 6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.078 3.454 6.299 1.00 0.00 H new ATOM 818 N LYS A 51 -8.457 4.735 8.949 1.00 0.00 N ATOM 819 CA LYS A 51 -8.693 6.062 8.441 1.00 0.00 C ATOM 820 C LYS A 51 -7.527 6.989 8.776 1.00 0.00 C ATOM 821 O LYS A 51 -7.407 7.515 9.864 1.00 0.00 O ATOM 822 CB LYS A 51 -9.945 6.669 9.053 1.00 0.00 C ATOM 823 CG LYS A 51 -9.998 8.143 8.637 1.00 0.00 C ATOM 824 CD LYS A 51 -9.722 8.266 7.136 1.00 0.00 C ATOM 825 CE LYS A 51 -10.206 9.628 6.639 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.171 10.229 5.751 1.00 0.00 N ATOM 0 H LYS A 51 -7.964 4.671 9.839 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.808 5.968 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.834 6.142 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.923 6.578 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.976 8.562 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.262 8.716 9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.655 8.154 6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.231 7.468 6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.145 9.517 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.402 10.287 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.500 11.156 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.285 10.349 6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.005 9.602 4.938 1.00 0.00 H new ATOM 840 N CYS A 52 -6.727 7.235 7.802 1.00 0.00 N ATOM 841 CA CYS A 52 -5.627 8.150 7.927 1.00 0.00 C ATOM 842 C CYS A 52 -4.811 8.032 6.661 1.00 0.00 C ATOM 843 O CYS A 52 -4.459 6.936 6.270 1.00 0.00 O ATOM 844 CB CYS A 52 -4.786 7.802 9.118 1.00 0.00 C ATOM 845 SG CYS A 52 -5.107 8.988 10.450 1.00 0.00 S ATOM 0 H CYS A 52 -6.810 6.806 6.880 1.00 0.00 H new ATOM 0 HA CYS A 52 -5.988 9.169 8.067 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.013 6.790 9.454 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.730 7.818 8.848 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.345 8.886 10.833 1.00 0.00 H new ATOM 851 N GLN A 53 -4.506 9.095 6.006 1.00 0.00 N ATOM 852 CA GLN A 53 -3.742 8.940 4.791 1.00 0.00 C ATOM 853 C GLN A 53 -2.761 10.088 4.619 1.00 0.00 C ATOM 854 O GLN A 53 -3.117 11.250 4.629 1.00 0.00 O ATOM 855 CB GLN A 53 -4.690 8.895 3.595 1.00 0.00 C ATOM 856 CG GLN A 53 -5.158 7.456 3.379 1.00 0.00 C ATOM 857 CD GLN A 53 -4.109 6.695 2.567 1.00 0.00 C ATOM 858 OE1 GLN A 53 -2.941 7.028 2.596 1.00 0.00 O ATOM 859 NE2 GLN A 53 -4.479 5.677 1.838 1.00 0.00 N ATOM 0 H GLN A 53 -4.754 10.050 6.264 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.178 8.009 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.546 9.546 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.186 9.264 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.316 6.966 4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.114 7.448 2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.459 5.397 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.788 5.162 1.293 1.00 0.00 H new ATOM 868 N LYS A 54 -1.516 9.746 4.455 1.00 0.00 N ATOM 869 CA LYS A 54 -0.493 10.746 4.277 1.00 0.00 C ATOM 870 C LYS A 54 0.505 10.227 3.236 1.00 0.00 C ATOM 871 O LYS A 54 1.241 9.293 3.484 1.00 0.00 O ATOM 872 CB LYS A 54 0.202 10.965 5.634 1.00 0.00 C ATOM 873 CG LYS A 54 1.691 11.284 5.445 1.00 0.00 C ATOM 874 CD LYS A 54 2.150 12.255 6.536 1.00 0.00 C ATOM 875 CE LYS A 54 2.709 13.524 5.890 1.00 0.00 C ATOM 876 NZ LYS A 54 3.274 14.413 6.944 1.00 0.00 N ATOM 0 H LYS A 54 -1.180 8.783 4.440 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.910 11.692 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.284 11.782 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.093 10.073 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.278 10.367 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.858 11.722 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.314 12.505 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.912 11.785 7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.481 13.266 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.921 14.044 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.654 15.275 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.526 14.670 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.037 13.915 7.445 1.00 0.00 H new ATOM 988 N LYS A 62 12.235 7.964 -1.077 1.00 0.00 N ATOM 989 CA LYS A 62 12.122 6.944 -2.103 1.00 0.00 C ATOM 990 C LYS A 62 10.751 6.270 -2.107 1.00 0.00 C ATOM 991 O LYS A 62 10.675 5.064 -2.199 1.00 0.00 O ATOM 992 CB LYS A 62 13.182 5.855 -1.912 1.00 0.00 C ATOM 993 CG LYS A 62 13.617 5.805 -0.443 1.00 0.00 C ATOM 994 CD LYS A 62 14.836 6.674 -0.207 1.00 0.00 C ATOM 995 CE LYS A 62 16.095 5.807 -0.183 1.00 0.00 C ATOM 996 NZ LYS A 62 16.837 5.978 -1.464 1.00 0.00 N ATOM 0 HA LYS A 62 12.268 7.459 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.781 4.888 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.043 6.057 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.798 6.140 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.840 4.776 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.916 7.425 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.735 7.210 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.729 6.089 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.827 4.760 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.694 5.389 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.231 5.688 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.105 6.976 -1.579 1.00 0.00 H new ATOM 1010 N ILE A 63 9.668 7.002 -1.998 1.00 0.00 N ATOM 1011 CA ILE A 63 8.334 6.416 -2.018 1.00 0.00 C ATOM 1012 C ILE A 63 7.969 5.707 -0.705 1.00 0.00 C ATOM 1013 O ILE A 63 8.078 4.508 -0.529 1.00 0.00 O ATOM 1014 CB ILE A 63 7.990 5.625 -3.318 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.222 4.333 -3.010 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.221 5.298 -4.184 1.00 0.00 C ATOM 1017 CD1 ILE A 63 6.075 4.190 -4.003 1.00 0.00 C ATOM 0 H ILE A 63 9.678 8.017 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 63 7.650 7.263 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 63 7.354 6.296 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.889 3.473 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.837 4.358 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.906 4.748 -5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.710 6.224 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.920 4.690 -3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.523 3.274 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.406 5.046 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.474 4.148 -5.016 1.00 0.00 H new ATOM 1029 N GLN A 64 7.517 6.523 0.202 1.00 0.00 N ATOM 1030 CA GLN A 64 7.085 6.063 1.504 1.00 0.00 C ATOM 1031 C GLN A 64 5.638 6.528 1.722 1.00 0.00 C ATOM 1032 O GLN A 64 5.309 7.669 1.466 1.00 0.00 O ATOM 1033 CB GLN A 64 7.998 6.638 2.599 1.00 0.00 C ATOM 1034 CG GLN A 64 7.436 7.961 3.132 1.00 0.00 C ATOM 1035 CD GLN A 64 8.442 8.597 4.094 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.714 8.559 3.809 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 8.065 9.134 5.117 1.00 0.00 N flip ATOM 0 H GLN A 64 7.434 7.531 0.066 1.00 0.00 H new ATOM 0 HA GLN A 64 7.140 4.976 1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.091 5.922 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.999 6.797 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.230 8.640 2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.490 7.786 3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.070 9.164 5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.743 9.555 5.752 1.00 0.00 H new ATOM 1046 N LEU A 65 4.772 5.681 2.200 1.00 0.00 N ATOM 1047 CA LEU A 65 3.406 6.129 2.415 1.00 0.00 C ATOM 1048 C LEU A 65 2.976 5.835 3.862 1.00 0.00 C ATOM 1049 O LEU A 65 3.613 5.066 4.563 1.00 0.00 O ATOM 1050 CB LEU A 65 2.455 5.488 1.379 1.00 0.00 C ATOM 1051 CG LEU A 65 2.542 3.953 1.365 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.842 3.512 0.695 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.479 3.382 2.779 1.00 0.00 C ATOM 0 H LEU A 65 4.965 4.710 2.444 1.00 0.00 H new ATOM 0 HA LEU A 65 3.353 7.208 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.430 5.788 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.694 5.871 0.387 1.00 0.00 H new ATOM 0 HG LEU A 65 1.689 3.573 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.897 2.423 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.867 3.883 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.691 3.915 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.543 2.295 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.311 3.771 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.538 3.672 3.247 1.00 0.00 H new ATOM 1065 N GLN A 66 1.914 6.458 4.322 1.00 0.00 N ATOM 1066 CA GLN A 66 1.482 6.239 5.698 1.00 0.00 C ATOM 1067 C GLN A 66 -0.051 6.301 5.817 1.00 0.00 C ATOM 1068 O GLN A 66 -0.699 7.196 5.311 1.00 0.00 O ATOM 1069 CB GLN A 66 2.099 7.312 6.596 1.00 0.00 C ATOM 1070 CG GLN A 66 2.506 6.689 7.933 1.00 0.00 C ATOM 1071 CD GLN A 66 3.259 7.724 8.772 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.416 7.999 8.523 1.00 0.00 O ATOM 1073 NE2 GLN A 66 2.648 8.313 9.763 1.00 0.00 N ATOM 0 H GLN A 66 1.340 7.107 3.784 1.00 0.00 H new ATOM 0 HA GLN A 66 1.812 5.247 6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.969 7.753 6.109 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.384 8.118 6.761 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.622 6.344 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.136 5.816 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.677 8.083 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.142 9.004 10.328 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.619 5.325 6.474 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.058 5.256 6.636 1.00 0.00 C ATOM 1084 C LEU A 67 -2.358 4.875 8.085 1.00 0.00 C ATOM 1085 O LEU A 67 -1.582 4.185 8.716 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.583 4.177 5.687 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.078 3.965 5.893 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.806 4.242 4.578 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.324 2.516 6.321 1.00 0.00 C ATOM 0 H LEU A 67 -0.108 4.558 6.911 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.534 6.210 6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.390 4.468 4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.050 3.242 5.860 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.449 4.640 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.877 4.093 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.620 5.271 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.441 3.561 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.392 2.357 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.962 1.841 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.794 2.317 7.252 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.466 5.300 8.632 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.736 4.923 10.008 1.00 0.00 C ATOM 1103 C VAL A 68 -5.109 4.315 10.153 1.00 0.00 C ATOM 1104 O VAL A 68 -5.989 4.457 9.332 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.590 6.086 10.990 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.283 5.543 12.383 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.432 6.962 10.573 1.00 0.00 C ATOM 0 H VAL A 68 -4.171 5.881 8.178 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.979 4.180 10.260 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.518 6.657 10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.179 6.373 13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.096 4.894 12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.354 4.974 12.355 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.331 7.790 11.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.514 6.374 10.570 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.615 7.355 9.573 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.226 3.577 11.193 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.421 2.840 11.494 1.00 0.00 C ATOM 1119 C LEU A 69 -7.352 3.701 12.343 1.00 0.00 C ATOM 1120 O LEU A 69 -6.892 4.473 13.159 1.00 0.00 O ATOM 1121 CB LEU A 69 -5.950 1.602 12.282 1.00 0.00 C ATOM 1122 CG LEU A 69 -4.798 0.857 11.523 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.148 -0.593 11.258 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.480 1.477 10.166 1.00 0.00 C ATOM 0 H LEU A 69 -4.483 3.458 11.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.972 2.554 10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.603 1.906 13.270 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.789 0.923 12.434 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.936 0.943 12.184 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.325 -1.075 10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.321 -1.104 12.205 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.050 -0.644 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.675 0.917 9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.368 1.444 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.170 2.513 10.303 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.658 3.563 12.190 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.562 4.346 13.025 1.00 0.00 C ATOM 1138 C HIS A 70 -9.011 4.232 14.448 1.00 0.00 C ATOM 1139 O HIS A 70 -9.072 5.139 15.255 1.00 0.00 O ATOM 1140 CB HIS A 70 -10.974 3.749 12.984 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.624 4.021 11.653 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.850 5.304 11.182 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -12.127 3.180 10.693 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -12.465 5.192 9.989 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.656 3.920 9.645 1.00 0.00 N ATOM 0 H HIS A 70 -9.108 2.939 11.520 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.623 5.379 12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.926 2.674 13.159 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.579 4.175 13.784 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.113 2.101 10.745 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.767 6.034 9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -13.096 3.566 8.795 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.431 3.089 14.704 1.00 0.00 N ATOM 1154 CA ALA A 71 -7.818 2.826 15.980 1.00 0.00 C ATOM 1155 C ALA A 71 -6.477 3.565 16.033 1.00 0.00 C ATOM 1156 O ALA A 71 -6.295 4.587 15.402 1.00 0.00 O ATOM 1157 CB ALA A 71 -7.586 1.323 16.141 1.00 0.00 C ATOM 0 H ALA A 71 -8.370 2.318 14.039 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.467 3.169 16.786 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.122 1.128 17.108 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.540 0.799 16.084 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.930 0.969 15.346 1.00 0.00 H new ATOM 1163 N GLY A 72 -5.560 3.088 16.818 1.00 0.00 N ATOM 1164 CA GLY A 72 -4.279 3.766 16.966 1.00 0.00 C ATOM 1165 C GLY A 72 -3.186 2.940 16.308 1.00 0.00 C ATOM 1166 O GLY A 72 -2.170 2.622 16.893 1.00 0.00 O ATOM 0 H GLY A 72 -5.660 2.236 17.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.325 4.755 16.511 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.053 3.911 18.022 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.420 2.588 15.096 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.458 1.789 14.383 1.00 0.00 C ATOM 1172 C ASP A 73 -2.169 2.455 13.053 1.00 0.00 C ATOM 1173 O ASP A 73 -3.061 2.798 12.307 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.001 0.368 14.186 1.00 0.00 C ATOM 1175 CG ASP A 73 -2.217 -0.341 13.077 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -1.134 0.121 12.756 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -2.712 -1.333 12.569 1.00 0.00 O ATOM 0 H ASP A 73 -4.259 2.832 14.570 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.532 1.713 14.952 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.920 -0.194 15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.059 0.406 13.928 1.00 0.00 H new ATOM 1182 N THR A 74 -0.920 2.650 12.758 1.00 0.00 N ATOM 1183 CA THR A 74 -0.569 3.292 11.522 1.00 0.00 C ATOM 1184 C THR A 74 0.032 2.257 10.600 1.00 0.00 C ATOM 1185 O THR A 74 0.450 1.199 11.026 1.00 0.00 O ATOM 1186 CB THR A 74 0.455 4.398 11.788 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.053 5.151 12.924 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.545 5.317 10.569 1.00 0.00 C ATOM 0 H THR A 74 -0.132 2.379 13.347 1.00 0.00 H new ATOM 0 HA THR A 74 -1.455 3.733 11.065 1.00 0.00 H new ATOM 0 HB THR A 74 1.432 3.952 11.975 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.709 5.858 13.096 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.274 6.104 10.760 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.855 4.738 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.430 5.765 10.378 1.00 0.00 H new ATOM 1196 N THR A 75 0.107 2.549 9.343 1.00 0.00 N ATOM 1197 CA THR A 75 0.691 1.617 8.430 1.00 0.00 C ATOM 1198 C THR A 75 1.745 2.391 7.650 1.00 0.00 C ATOM 1199 O THR A 75 1.426 3.265 6.869 1.00 0.00 O ATOM 1200 CB THR A 75 -0.377 1.083 7.472 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.532 0.714 8.214 1.00 0.00 O ATOM 1202 CG2 THR A 75 0.166 -0.138 6.729 1.00 0.00 C ATOM 0 H THR A 75 -0.225 3.418 8.925 1.00 0.00 H new ATOM 0 HA THR A 75 1.125 0.766 8.954 1.00 0.00 H new ATOM 0 HB THR A 75 -0.639 1.857 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.218 0.373 7.603 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.595 -0.517 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.052 0.146 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.429 -0.914 7.448 1.00 0.00 H new ATOM 1210 N ASN A 76 2.991 2.086 7.834 1.00 0.00 N ATOM 1211 CA ASN A 76 4.008 2.797 7.099 1.00 0.00 C ATOM 1212 C ASN A 76 4.577 1.824 6.092 1.00 0.00 C ATOM 1213 O ASN A 76 4.819 0.675 6.407 1.00 0.00 O ATOM 1214 CB ASN A 76 5.110 3.269 8.051 1.00 0.00 C ATOM 1215 CG ASN A 76 4.496 4.120 9.164 1.00 0.00 C ATOM 1216 OD1 ASN A 76 4.739 5.308 9.241 1.00 0.00 O ATOM 1217 ND2 ASN A 76 3.704 3.558 10.036 1.00 0.00 N ATOM 0 H ASN A 76 3.332 1.366 8.471 1.00 0.00 H new ATOM 0 HA ASN A 76 3.593 3.676 6.605 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.627 2.410 8.479 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.853 3.849 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.289 4.116 10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.500 2.561 9.971 1.00 0.00 H new ATOM 1224 N PHE A 77 4.781 2.232 4.880 1.00 0.00 N ATOM 1225 CA PHE A 77 5.299 1.284 3.929 1.00 0.00 C ATOM 1226 C PHE A 77 6.228 1.970 2.934 1.00 0.00 C ATOM 1227 O PHE A 77 6.053 3.115 2.568 1.00 0.00 O ATOM 1228 CB PHE A 77 4.137 0.602 3.209 1.00 0.00 C ATOM 1229 CG PHE A 77 4.168 -0.870 3.527 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.393 -1.534 3.554 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.983 -1.577 3.781 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.449 -2.891 3.828 1.00 0.00 C ATOM 1233 CE2 PHE A 77 3.040 -2.943 4.059 1.00 0.00 C ATOM 1234 CZ PHE A 77 4.282 -3.596 4.078 1.00 0.00 C ATOM 0 H PHE A 77 4.608 3.174 4.529 1.00 0.00 H new ATOM 0 HA PHE A 77 5.882 0.529 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.189 1.037 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.216 0.758 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.304 -0.988 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.032 -1.066 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.402 -3.399 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.133 -3.495 4.258 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.329 -4.654 4.289 1.00 0.00 H new ATOM 1244 N HIS A 78 7.252 1.272 2.547 1.00 0.00 N ATOM 1245 CA HIS A 78 8.224 1.851 1.650 1.00 0.00 C ATOM 1246 C HIS A 78 8.705 0.823 0.633 1.00 0.00 C ATOM 1247 O HIS A 78 8.551 -0.360 0.796 1.00 0.00 O ATOM 1248 CB HIS A 78 9.435 2.342 2.463 1.00 0.00 C ATOM 1249 CG HIS A 78 10.296 3.227 1.596 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.215 2.700 0.713 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.366 4.594 1.423 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.773 3.727 0.052 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.290 4.893 0.449 1.00 0.00 N ATOM 0 H HIS A 78 7.442 0.311 2.830 1.00 0.00 H new ATOM 0 HA HIS A 78 7.754 2.680 1.122 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.098 2.892 3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.015 1.492 2.822 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.431 1.711 0.585 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.783 5.320 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.527 3.615 -0.713 1.00 0.00 H new ATOM 1261 N PHE A 79 9.317 1.300 -0.396 1.00 0.00 N ATOM 1262 CA PHE A 79 9.872 0.439 -1.424 1.00 0.00 C ATOM 1263 C PHE A 79 11.344 0.826 -1.488 1.00 0.00 C ATOM 1264 O PHE A 79 11.630 1.986 -1.637 1.00 0.00 O ATOM 1265 CB PHE A 79 9.180 0.757 -2.736 1.00 0.00 C ATOM 1266 CG PHE A 79 7.675 0.697 -2.553 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.992 1.747 -1.909 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.956 -0.396 -3.048 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.596 1.692 -1.767 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.572 -0.444 -2.901 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.893 0.591 -2.266 1.00 0.00 C ATOM 0 H PHE A 79 9.455 2.297 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 79 9.743 -0.625 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.474 1.748 -3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.491 0.047 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.541 2.594 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.474 -1.203 -3.544 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.068 2.496 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.022 -1.291 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.819 0.544 -2.158 1.00 0.00 H new ATOM 1346 N ALA A 85 13.266 2.149 -6.132 1.00 0.00 N ATOM 1347 CA ALA A 85 12.395 3.183 -5.625 1.00 0.00 C ATOM 1348 C ALA A 85 12.284 4.281 -6.666 1.00 0.00 C ATOM 1349 O ALA A 85 12.898 5.327 -6.588 1.00 0.00 O ATOM 1350 CB ALA A 85 12.942 3.748 -4.316 1.00 0.00 C ATOM 0 HA ALA A 85 11.409 2.764 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.273 4.526 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.012 2.950 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.932 4.172 -4.488 1.00 0.00 H new ATOM 1356 N VAL A 86 11.480 4.019 -7.630 1.00 0.00 N ATOM 1357 CA VAL A 86 11.255 4.969 -8.698 1.00 0.00 C ATOM 1358 C VAL A 86 9.840 4.790 -9.264 1.00 0.00 C ATOM 1359 O VAL A 86 8.909 4.512 -8.540 1.00 0.00 O ATOM 1360 CB VAL A 86 12.293 4.752 -9.801 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.696 4.784 -9.195 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.055 3.394 -10.463 1.00 0.00 C ATOM 0 H VAL A 86 10.954 3.150 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 86 11.353 5.982 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 86 12.202 5.542 -10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.435 4.629 -9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.866 5.751 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.788 3.994 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.794 3.238 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.147 2.605 -9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.055 3.370 -10.895 1.00 0.00 H new ATOM 1372 N LYS A 87 9.677 4.958 -10.553 1.00 0.00 N ATOM 1373 CA LYS A 87 8.363 4.818 -11.163 1.00 0.00 C ATOM 1374 C LYS A 87 7.601 3.634 -10.554 1.00 0.00 C ATOM 1375 O LYS A 87 6.502 3.786 -10.064 1.00 0.00 O ATOM 1376 CB LYS A 87 8.526 4.594 -12.668 1.00 0.00 C ATOM 1377 CG LYS A 87 7.297 5.135 -13.400 1.00 0.00 C ATOM 1378 CD LYS A 87 7.377 6.661 -13.475 1.00 0.00 C ATOM 1379 CE LYS A 87 7.477 7.097 -14.938 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.812 6.718 -15.480 1.00 0.00 N ATOM 0 H LYS A 87 10.428 5.191 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 87 7.795 5.729 -10.977 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.425 5.095 -13.026 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.649 3.531 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.244 4.713 -14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.388 4.833 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.496 7.105 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.244 7.018 -12.918 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.688 6.625 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.333 8.174 -15.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.893 7.045 -16.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.558 7.160 -14.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.919 5.684 -15.449 1.00 0.00 H new ATOM 1394 N GLU A 88 8.171 2.459 -10.595 1.00 0.00 N ATOM 1395 CA GLU A 88 7.502 1.284 -10.046 1.00 0.00 C ATOM 1396 C GLU A 88 6.767 1.643 -8.752 1.00 0.00 C ATOM 1397 O GLU A 88 5.552 1.748 -8.701 1.00 0.00 O ATOM 1398 CB GLU A 88 8.558 0.221 -9.715 1.00 0.00 C ATOM 1399 CG GLU A 88 9.892 0.887 -9.358 1.00 0.00 C ATOM 1400 CD GLU A 88 10.930 0.565 -10.434 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.541 0.056 -11.472 1.00 0.00 O ATOM 1402 OE2 GLU A 88 12.097 0.834 -10.202 1.00 0.00 O ATOM 0 H GLU A 88 9.091 2.279 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 88 6.787 0.912 -10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.216 -0.393 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.693 -0.445 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.761 1.966 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.238 0.533 -8.387 1.00 0.00 H new ATOM 1409 N ARG A 89 7.508 1.838 -7.708 1.00 0.00 N ATOM 1410 CA ARG A 89 6.907 2.188 -6.443 1.00 0.00 C ATOM 1411 C ARG A 89 6.083 3.453 -6.674 1.00 0.00 C ATOM 1412 O ARG A 89 4.963 3.584 -6.224 1.00 0.00 O ATOM 1413 CB ARG A 89 8.015 2.418 -5.405 1.00 0.00 C ATOM 1414 CG ARG A 89 9.179 1.439 -5.656 1.00 0.00 C ATOM 1415 CD ARG A 89 8.624 0.019 -5.839 1.00 0.00 C ATOM 1416 NE ARG A 89 9.615 -0.828 -6.474 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.460 -2.127 -6.479 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.444 -2.670 -5.863 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.319 -2.887 -7.102 1.00 0.00 N ATOM 0 H ARG A 89 8.525 1.763 -7.697 1.00 0.00 H new ATOM 0 HA ARG A 89 6.262 1.395 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.373 3.446 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.619 2.276 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.736 1.740 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.876 1.463 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.345 -0.398 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.719 0.050 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 89 10.433 -0.411 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.769 -2.081 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.326 -3.683 -5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.113 -2.468 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.196 -3.900 -7.105 1.00 0.00 H new ATOM 1433 N ASP A 90 6.638 4.364 -7.417 1.00 0.00 N ATOM 1434 CA ASP A 90 5.927 5.588 -7.733 1.00 0.00 C ATOM 1435 C ASP A 90 4.574 5.222 -8.364 1.00 0.00 C ATOM 1436 O ASP A 90 3.670 6.034 -8.444 1.00 0.00 O ATOM 1437 CB ASP A 90 6.740 6.431 -8.718 1.00 0.00 C ATOM 1438 CG ASP A 90 6.398 7.910 -8.526 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.243 8.259 -8.708 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.296 8.668 -8.199 1.00 0.00 O ATOM 0 H ASP A 90 7.573 4.293 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 90 5.773 6.167 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.806 6.269 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.521 6.126 -9.741 1.00 0.00 H new ATOM 1445 N ALA A 91 4.401 3.981 -8.747 1.00 0.00 N ATOM 1446 CA ALA A 91 3.136 3.556 -9.293 1.00 0.00 C ATOM 1447 C ALA A 91 2.324 2.943 -8.154 1.00 0.00 C ATOM 1448 O ALA A 91 1.136 3.171 -8.029 1.00 0.00 O ATOM 1449 CB ALA A 91 3.369 2.509 -10.385 1.00 0.00 C ATOM 0 H ALA A 91 5.113 3.253 -8.692 1.00 0.00 H new ATOM 0 HA ALA A 91 2.604 4.400 -9.732 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.410 2.191 -10.795 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.978 2.941 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.885 1.648 -9.960 1.00 0.00 H new ATOM 1455 N VAL A 92 2.970 2.226 -7.269 1.00 0.00 N ATOM 1456 CA VAL A 92 2.235 1.689 -6.141 1.00 0.00 C ATOM 1457 C VAL A 92 1.625 2.884 -5.429 1.00 0.00 C ATOM 1458 O VAL A 92 0.433 2.954 -5.192 1.00 0.00 O ATOM 1459 CB VAL A 92 3.160 0.947 -5.177 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.313 0.172 -4.166 1.00 0.00 C ATOM 1461 CG2 VAL A 92 4.038 -0.032 -5.948 1.00 0.00 C ATOM 0 H VAL A 92 3.965 2.004 -7.298 1.00 0.00 H new ATOM 0 HA VAL A 92 1.482 0.978 -6.481 1.00 0.00 H new ATOM 0 HB VAL A 92 3.794 1.668 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.967 -0.360 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.685 0.867 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.683 -0.544 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.694 -0.557 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.408 -0.754 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.640 0.514 -6.674 1.00 0.00 H new ATOM 1471 N LYS A 93 2.442 3.856 -5.140 1.00 0.00 N ATOM 1472 CA LYS A 93 1.945 5.055 -4.525 1.00 0.00 C ATOM 1473 C LYS A 93 0.862 5.599 -5.461 1.00 0.00 C ATOM 1474 O LYS A 93 -0.258 5.877 -5.049 1.00 0.00 O ATOM 1475 CB LYS A 93 3.101 6.051 -4.384 1.00 0.00 C ATOM 1476 CG LYS A 93 2.557 7.477 -4.289 1.00 0.00 C ATOM 1477 CD LYS A 93 3.720 8.449 -4.098 1.00 0.00 C ATOM 1478 CE LYS A 93 3.991 9.189 -5.410 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.723 9.784 -5.918 1.00 0.00 N ATOM 0 H LYS A 93 3.446 3.844 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 93 1.533 4.876 -3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.687 5.817 -3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.771 5.965 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.003 7.728 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.860 7.558 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.485 9.162 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.612 7.907 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.734 9.971 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.404 8.502 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.391 9.243 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.001 9.753 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.890 10.772 -6.197 1.00 0.00 H new ATOM 1493 N ASP A 94 1.196 5.727 -6.733 1.00 0.00 N ATOM 1494 CA ASP A 94 0.242 6.217 -7.717 1.00 0.00 C ATOM 1495 C ASP A 94 -1.141 5.610 -7.466 1.00 0.00 C ATOM 1496 O ASP A 94 -2.149 6.232 -7.737 1.00 0.00 O ATOM 1497 CB ASP A 94 0.711 5.838 -9.123 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.164 6.547 -10.159 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.156 7.766 -10.179 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.829 5.857 -10.915 1.00 0.00 O ATOM 0 H ASP A 94 2.116 5.500 -7.110 1.00 0.00 H new ATOM 0 HA ASP A 94 0.177 7.302 -7.630 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.755 6.120 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.652 4.758 -9.259 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.217 4.425 -6.916 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.532 3.865 -6.634 1.00 0.00 C ATOM 1507 C LEU A 95 -2.970 4.404 -5.278 1.00 0.00 C ATOM 1508 O LEU A 95 -4.101 4.799 -5.081 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.490 2.336 -6.566 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.512 1.781 -7.596 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -0.981 0.438 -7.103 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -2.222 1.586 -8.934 1.00 0.00 C ATOM 0 H LEU A 95 -0.422 3.840 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.222 4.145 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.193 2.019 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.486 1.931 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.687 2.481 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.281 0.033 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.471 0.576 -6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.811 -0.256 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.518 1.189 -9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.048 0.886 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.608 2.543 -9.284 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.061 4.406 -4.342 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.354 4.897 -3.009 1.00 0.00 C ATOM 1526 C LEU A 96 -3.259 6.129 -3.087 1.00 0.00 C ATOM 1527 O LEU A 96 -4.403 6.122 -2.669 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.040 5.308 -2.349 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.154 4.079 -2.159 1.00 0.00 C ATOM 1530 CD1 LEU A 96 1.000 4.425 -1.221 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -0.982 2.946 -1.559 1.00 0.00 C ATOM 0 H LEU A 96 -1.105 4.073 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.855 4.115 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.527 6.046 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.237 5.779 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 96 0.246 3.764 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.633 3.548 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.589 5.235 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.603 4.739 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.351 2.067 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.382 3.259 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.805 2.701 -2.231 1.00 0.00 H new ATOM 1543 N GLN A 97 -2.740 7.191 -3.630 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.524 8.418 -3.740 1.00 0.00 C ATOM 1545 C GLN A 97 -4.774 8.186 -4.593 1.00 0.00 C ATOM 1546 O GLN A 97 -5.582 9.075 -4.770 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.687 9.533 -4.367 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.363 9.644 -3.618 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.238 9.065 -4.472 1.00 0.00 C ATOM 1550 OE1 GLN A 97 0.907 9.448 -4.333 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.516 8.157 -5.362 1.00 0.00 N ATOM 0 H GLN A 97 -1.792 7.248 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.826 8.714 -2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.506 9.320 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.226 10.479 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.154 10.688 -3.383 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.425 9.110 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.477 7.835 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.227 7.767 -5.942 1.00 0.00 H new ATOM 1560 N GLN A 98 -4.949 7.008 -5.118 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.118 6.750 -5.923 1.00 0.00 C ATOM 1562 C GLN A 98 -7.144 5.937 -5.121 1.00 0.00 C ATOM 1563 O GLN A 98 -8.325 5.973 -5.404 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.715 5.970 -7.166 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.710 6.271 -8.285 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.269 4.959 -8.839 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -8.446 4.860 -9.127 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.470 3.941 -9.002 1.00 0.00 N ATOM 0 H GLN A 98 -4.312 6.219 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.566 7.700 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.707 6.247 -7.474 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.701 4.901 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.521 6.893 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.220 6.834 -9.080 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.482 4.024 -8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.833 3.062 -9.371 1.00 0.00 H new ATOM 1577 N LEU A 99 -6.715 5.209 -4.120 1.00 0.00 N ATOM 1578 CA LEU A 99 -7.679 4.433 -3.340 1.00 0.00 C ATOM 1579 C LEU A 99 -8.144 5.256 -2.145 1.00 0.00 C ATOM 1580 O LEU A 99 -9.272 5.142 -1.715 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.107 3.104 -2.794 1.00 0.00 C ATOM 1582 CG LEU A 99 -5.595 2.997 -2.989 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -4.912 3.373 -1.674 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -5.234 1.556 -3.358 1.00 0.00 C ATOM 0 H LEU A 99 -5.742 5.130 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 99 -8.496 4.195 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.341 3.020 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.595 2.268 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.268 3.665 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.831 3.303 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.182 4.394 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.236 2.691 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.156 1.475 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.547 0.886 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.742 1.279 -4.282 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.284 6.052 -1.570 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.709 6.808 -0.403 1.00 0.00 C ATOM 1598 C LEU A 100 -9.043 7.485 -0.726 1.00 0.00 C ATOM 1599 O LEU A 100 -9.912 7.590 0.115 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.691 7.883 0.040 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.546 8.063 -0.961 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.223 9.554 -1.085 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -4.308 7.325 -0.448 1.00 0.00 C ATOM 0 H LEU A 100 -6.320 6.198 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.799 6.104 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.207 8.834 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.279 7.609 1.011 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.838 7.663 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.408 9.692 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.105 10.089 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.925 9.944 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.490 7.450 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.015 7.734 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.535 6.264 -0.340 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.156 7.905 -1.956 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.408 8.558 -2.403 1.00 0.00 C ATOM 1617 C PRO A 101 -11.563 7.549 -2.502 1.00 0.00 C ATOM 1618 O PRO A 101 -12.707 7.913 -2.683 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.065 9.095 -3.790 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.538 9.192 -3.881 1.00 0.00 C ATOM 1621 CD PRO A 101 -7.980 8.311 -2.767 1.00 0.00 C ATOM 0 HA PRO A 101 -10.738 9.330 -1.708 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.454 8.434 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.521 10.072 -3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.185 8.855 -4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.207 10.224 -3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.465 7.441 -3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.255 8.855 -2.162 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.261 6.288 -2.412 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.284 5.261 -2.526 1.00 0.00 C ATOM 1631 C LYS A 102 -13.090 5.139 -1.233 1.00 0.00 C ATOM 1632 O LYS A 102 -14.302 5.052 -1.245 1.00 0.00 O ATOM 1633 CB LYS A 102 -11.587 3.927 -2.771 1.00 0.00 C ATOM 1634 CG LYS A 102 -12.596 2.785 -2.693 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.456 1.897 -3.930 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.366 2.422 -5.043 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.606 1.598 -5.101 1.00 0.00 N ATOM 0 H LYS A 102 -10.317 5.933 -2.260 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.959 5.526 -3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.108 3.933 -3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.800 3.778 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.428 2.198 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.609 3.184 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.420 1.887 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.721 0.869 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.619 3.466 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.846 2.384 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.225 1.954 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.356 0.608 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.104 1.656 -4.190 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.415 5.075 -0.126 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.106 4.897 1.144 1.00 0.00 C ATOM 1653 C PHE A 103 -13.200 6.223 1.888 1.00 0.00 C ATOM 1654 O PHE A 103 -13.667 6.278 3.008 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.356 3.884 2.026 1.00 0.00 C ATOM 1656 CG PHE A 103 -10.909 3.844 1.612 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -10.547 3.146 0.457 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -9.943 4.540 2.348 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.222 3.141 0.032 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.609 4.528 1.929 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.247 3.831 0.768 1.00 0.00 C ATOM 0 H PHE A 103 -11.399 5.141 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.108 4.525 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.439 4.166 3.076 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -12.803 2.895 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.296 2.610 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.227 5.084 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.944 2.606 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.858 5.055 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.218 3.825 0.440 1.00 0.00 H new