USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 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+ 150:sc= -0.0367 (180deg=-2.49!) USER MOD Set 1.2: A 97 GLN : amide:sc= -15.5! C(o=-16!,f=-33!) USER MOD Set 2.1: A 66 GLN :FLIP amide:sc= -0.436 F(o=-6.8,f=-4.5) USER MOD Set 2.2: A 76 ASN : amide:sc= -4.1! C(o=-4.5!,f=-13!) 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 : amide:sc= -7.36! C(o=-7.4!,f=-7.3!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.022 (180deg=-0.288) USER MOD Single : A 19 LYS NZ :NH3+ -120:sc= -0.773 (180deg=-2.69!) USER MOD Single : A 20 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -118:sc= -1.7 (180deg=-3.74!) 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 :FLIP no HD1:sc= -9.5! C(o=-15!,f=-9.5!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -108:sc= -7.58! USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.106) USER MOD Single : A 52 CYS SG : rot 160:sc= -1.01 USER MOD Single : A 53 GLN : amide:sc= -9.59! C(o=-9.6!,f=-15!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -146:sc= -0.163 (180deg=-1.05) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0185 F(o=-0.86,f=-0.018) USER MOD Single : A 70 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-7.7!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 78 HIS : no HD1:sc= -16.1! C(o=-16!,f=-19!) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.0742 (180deg=-0.518) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.177 F(o=-0.7,f=-0.18) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.492 -7.727 -7.083 1.00 0.00 N ATOM 97 CA VAL A 8 -7.353 -7.060 -6.486 1.00 0.00 C ATOM 98 C VAL A 8 -6.743 -6.093 -7.501 1.00 0.00 C ATOM 99 O VAL A 8 -6.917 -6.233 -8.695 1.00 0.00 O ATOM 100 CB VAL A 8 -6.318 -8.115 -6.083 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.022 -9.022 -7.278 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.025 -7.429 -5.636 1.00 0.00 C ATOM 0 HA VAL A 8 -7.666 -6.500 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.715 -8.710 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.286 -9.773 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.940 -9.517 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.629 -8.424 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.292 -8.184 -5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.628 -6.830 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.232 -6.783 -4.783 1.00 0.00 H new ATOM 112 N LEU A 9 -6.076 -5.077 -7.025 1.00 0.00 N ATOM 113 CA LEU A 9 -5.525 -4.083 -7.935 1.00 0.00 C ATOM 114 C LEU A 9 -4.026 -4.307 -8.216 1.00 0.00 C ATOM 115 O LEU A 9 -3.628 -4.335 -9.363 1.00 0.00 O ATOM 116 CB LEU A 9 -5.727 -2.688 -7.338 1.00 0.00 C ATOM 117 CG LEU A 9 -5.035 -1.650 -8.222 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.688 -1.641 -9.606 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.176 -0.265 -7.586 1.00 0.00 C ATOM 0 H LEU A 9 -5.898 -4.908 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.052 -4.178 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.791 -2.464 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.319 -2.651 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.979 -1.902 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.195 -0.901 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.591 -2.627 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.744 -1.389 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.683 0.476 -8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.232 -0.015 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.713 -0.269 -6.599 1.00 0.00 H new ATOM 131 N LEU A 10 -3.172 -4.454 -7.230 1.00 0.00 N ATOM 132 CA LEU A 10 -1.769 -4.646 -7.569 1.00 0.00 C ATOM 133 C LEU A 10 -1.022 -5.304 -6.413 1.00 0.00 C ATOM 134 O LEU A 10 -1.466 -5.287 -5.287 1.00 0.00 O ATOM 135 CB LEU A 10 -1.133 -3.289 -7.878 1.00 0.00 C ATOM 136 CG LEU A 10 0.315 -3.489 -8.326 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.341 -4.295 -9.626 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.966 -2.124 -8.562 1.00 0.00 C ATOM 0 H LEU A 10 -3.399 -4.447 -6.236 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.705 -5.296 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.699 -2.781 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.166 -2.651 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 10 0.864 -4.028 -7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.373 -4.437 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.125 -5.266 -9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.207 -3.756 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.999 -2.264 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.416 -1.588 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.947 -1.547 -7.637 1.00 0.00 H new ATOM 150 N ILE A 11 0.115 -5.892 -6.687 1.00 0.00 N ATOM 151 CA ILE A 11 0.872 -6.539 -5.635 1.00 0.00 C ATOM 152 C ILE A 11 2.366 -6.247 -5.830 1.00 0.00 C ATOM 153 O ILE A 11 2.876 -6.260 -6.932 1.00 0.00 O ATOM 154 CB ILE A 11 0.628 -8.051 -5.697 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.752 -8.800 -4.956 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.578 -8.499 -7.160 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.980 -8.965 -5.861 1.00 0.00 C ATOM 0 H ILE A 11 0.536 -5.939 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 11 0.555 -6.159 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.322 -8.281 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.029 -8.252 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.395 -9.779 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.405 -9.574 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.231 -7.979 -7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.525 -8.263 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.763 -9.496 -5.319 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.704 -9.533 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.347 -7.983 -6.158 1.00 0.00 H new ATOM 169 N VAL A 12 3.063 -5.989 -4.761 1.00 0.00 N ATOM 170 CA VAL A 12 4.480 -5.708 -4.854 1.00 0.00 C ATOM 171 C VAL A 12 5.259 -6.715 -3.998 1.00 0.00 C ATOM 172 O VAL A 12 5.337 -6.607 -2.791 1.00 0.00 O ATOM 173 CB VAL A 12 4.751 -4.292 -4.357 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.245 -3.279 -5.386 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.018 -4.087 -3.036 1.00 0.00 C ATOM 0 H VAL A 12 2.682 -5.966 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 12 4.801 -5.793 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 12 5.822 -4.149 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.440 -2.268 -5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.761 -3.434 -6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.173 -3.412 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.204 -3.077 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.948 -4.226 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.378 -4.810 -2.304 1.00 0.00 H new ATOM 185 N LYS A 13 5.839 -7.684 -4.638 1.00 0.00 N ATOM 186 CA LYS A 13 6.619 -8.707 -3.956 1.00 0.00 C ATOM 187 C LYS A 13 7.740 -8.082 -3.135 1.00 0.00 C ATOM 188 O LYS A 13 8.304 -8.694 -2.249 1.00 0.00 O ATOM 189 CB LYS A 13 7.198 -9.655 -5.007 1.00 0.00 C ATOM 190 CG LYS A 13 8.600 -9.211 -5.453 1.00 0.00 C ATOM 191 CD LYS A 13 8.504 -7.873 -6.188 1.00 0.00 C ATOM 192 CE LYS A 13 8.289 -8.127 -7.682 1.00 0.00 C ATOM 193 NZ LYS A 13 9.608 -8.311 -8.351 1.00 0.00 N ATOM 0 H LYS A 13 5.793 -7.800 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 13 5.975 -9.256 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.247 -10.665 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.534 -9.691 -5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.255 -9.116 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.041 -9.965 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.680 -7.283 -5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.415 -7.295 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.670 -9.013 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.756 -7.289 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.461 -8.484 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.184 -7.454 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.101 -9.124 -7.929 1.00 0.00 H new ATOM 207 N LYS A 14 8.067 -6.879 -3.436 1.00 0.00 N ATOM 208 CA LYS A 14 9.133 -6.221 -2.706 1.00 0.00 C ATOM 209 C LYS A 14 8.614 -5.006 -1.925 1.00 0.00 C ATOM 210 O LYS A 14 8.236 -4.007 -2.502 1.00 0.00 O ATOM 211 CB LYS A 14 10.209 -5.754 -3.689 1.00 0.00 C ATOM 212 CG LYS A 14 11.570 -5.748 -2.990 1.00 0.00 C ATOM 213 CD LYS A 14 12.034 -7.187 -2.758 1.00 0.00 C ATOM 214 CE LYS A 14 13.032 -7.222 -1.600 1.00 0.00 C ATOM 215 NZ LYS A 14 12.525 -8.131 -0.534 1.00 0.00 N ATOM 0 H LYS A 14 7.630 -6.320 -4.169 1.00 0.00 H new ATOM 0 HA LYS A 14 9.546 -6.938 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.236 -6.414 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.972 -4.755 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.300 -5.213 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.499 -5.220 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.179 -7.824 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.497 -7.581 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.004 -7.566 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.175 -6.219 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.204 -8.155 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.607 -7.784 -0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.410 -9.089 -0.921 1.00 0.00 H new ATOM 229 N VAL A 15 8.720 -5.036 -0.617 1.00 0.00 N ATOM 230 CA VAL A 15 8.375 -3.848 0.126 1.00 0.00 C ATOM 231 C VAL A 15 9.182 -3.782 1.410 1.00 0.00 C ATOM 232 O VAL A 15 9.572 -4.780 1.982 1.00 0.00 O ATOM 233 CB VAL A 15 6.876 -3.721 0.360 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.601 -2.690 1.457 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.264 -3.227 -0.941 1.00 0.00 C ATOM 0 H VAL A 15 9.029 -5.835 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 15 8.641 -2.981 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 15 6.455 -4.679 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.526 -2.607 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.082 -3.006 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.999 -1.722 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.186 -3.121 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.696 -2.261 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.470 -3.944 -1.736 1.00 0.00 H new ATOM 245 N ARG A 16 9.446 -2.594 1.841 1.00 0.00 N ATOM 246 CA ARG A 16 10.221 -2.385 3.032 1.00 0.00 C ATOM 247 C ARG A 16 9.409 -1.540 3.989 1.00 0.00 C ATOM 248 O ARG A 16 8.881 -0.509 3.633 1.00 0.00 O ATOM 249 CB ARG A 16 11.504 -1.633 2.648 1.00 0.00 C ATOM 250 CG ARG A 16 12.097 -0.923 3.873 1.00 0.00 C ATOM 251 CD ARG A 16 13.596 -1.230 3.996 1.00 0.00 C ATOM 252 NE ARG A 16 13.873 -2.594 3.581 1.00 0.00 N ATOM 253 CZ ARG A 16 15.093 -2.946 3.265 1.00 0.00 C ATOM 254 NH1 ARG A 16 16.072 -2.086 3.362 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.336 -4.160 2.853 1.00 0.00 N ATOM 0 H ARG A 16 9.134 -1.738 1.383 1.00 0.00 H new ATOM 0 HA ARG A 16 10.475 -3.335 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.233 -2.331 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.286 -0.904 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.946 0.153 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.578 -1.246 4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.167 -0.534 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.919 -1.085 5.027 1.00 0.00 H new ATOM 0 HE ARG A 16 13.117 -3.277 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.887 -1.136 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.022 -2.364 3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.575 -4.835 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.287 -4.434 2.607 1.00 0.00 H new ATOM 269 N GLN A 17 9.323 -1.953 5.205 1.00 0.00 N ATOM 270 CA GLN A 17 8.594 -1.173 6.155 1.00 0.00 C ATOM 271 C GLN A 17 9.403 -1.187 7.444 1.00 0.00 C ATOM 272 O GLN A 17 10.004 -2.186 7.784 1.00 0.00 O ATOM 273 CB GLN A 17 7.189 -1.762 6.336 1.00 0.00 C ATOM 274 CG GLN A 17 7.233 -3.036 7.159 1.00 0.00 C ATOM 275 CD GLN A 17 5.803 -3.508 7.432 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.171 -3.059 8.368 1.00 0.00 O ATOM 277 NE2 GLN A 17 5.263 -4.403 6.650 1.00 0.00 N ATOM 0 H GLN A 17 9.739 -2.811 5.566 1.00 0.00 H new ATOM 0 HA GLN A 17 8.456 -0.143 5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.545 -1.031 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.750 -1.971 5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.788 -3.808 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.756 -2.858 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.793 -4.780 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.311 -4.725 6.825 1.00 0.00 H new ATOM 286 N LYS A 18 9.527 -0.054 8.085 1.00 0.00 N ATOM 287 CA LYS A 18 10.386 0.048 9.259 1.00 0.00 C ATOM 288 C LYS A 18 10.331 -1.235 10.096 1.00 0.00 C ATOM 289 O LYS A 18 11.266 -1.549 10.807 1.00 0.00 O ATOM 290 CB LYS A 18 9.931 1.231 10.114 1.00 0.00 C ATOM 291 CG LYS A 18 10.685 2.490 9.681 1.00 0.00 C ATOM 292 CD LYS A 18 10.152 3.698 10.453 1.00 0.00 C ATOM 293 CE LYS A 18 10.982 4.933 10.103 1.00 0.00 C ATOM 294 NZ LYS A 18 10.762 5.290 8.674 1.00 0.00 N ATOM 0 H LYS A 18 9.052 0.811 7.825 1.00 0.00 H new ATOM 0 HA LYS A 18 11.413 0.196 8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.857 1.381 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.119 1.026 11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.752 2.369 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.564 2.648 8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.104 3.868 10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.199 3.507 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.700 5.768 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.039 4.736 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.112 6.254 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.275 4.620 8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.746 5.246 8.458 1.00 0.00 H new ATOM 308 N LYS A 19 9.287 -2.004 10.000 1.00 0.00 N ATOM 309 CA LYS A 19 9.250 -3.237 10.746 1.00 0.00 C ATOM 310 C LYS A 19 10.082 -4.314 10.012 1.00 0.00 C ATOM 311 O LYS A 19 10.946 -4.952 10.580 1.00 0.00 O ATOM 312 CB LYS A 19 7.766 -3.703 10.903 1.00 0.00 C ATOM 313 CG LYS A 19 7.389 -4.839 9.905 1.00 0.00 C ATOM 314 CD LYS A 19 6.035 -5.468 10.253 1.00 0.00 C ATOM 315 CE LYS A 19 5.090 -4.411 10.831 1.00 0.00 C ATOM 316 NZ LYS A 19 5.203 -4.406 12.316 1.00 0.00 N ATOM 0 H LYS A 19 8.465 -1.811 9.428 1.00 0.00 H new ATOM 0 HA LYS A 19 9.678 -3.082 11.736 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.604 -4.051 11.923 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.103 -2.852 10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.355 -4.438 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.162 -5.607 9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.593 -5.912 9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.175 -6.273 10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.340 -3.427 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.063 -4.624 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.277 -4.626 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.897 -5.121 12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.514 -3.467 12.637 1.00 0.00 H new ATOM 330 N GLN A 20 9.727 -4.579 8.788 1.00 0.00 N ATOM 331 CA GLN A 20 10.336 -5.644 8.031 1.00 0.00 C ATOM 332 C GLN A 20 10.297 -5.346 6.545 1.00 0.00 C ATOM 333 O GLN A 20 9.594 -4.472 6.090 1.00 0.00 O ATOM 334 CB GLN A 20 9.617 -6.956 8.310 1.00 0.00 C ATOM 335 CG GLN A 20 10.402 -7.708 9.372 1.00 0.00 C ATOM 336 CD GLN A 20 10.898 -9.038 8.802 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.242 -9.641 7.976 1.00 0.00 O ATOM 338 NE2 GLN A 20 12.038 -9.523 9.211 1.00 0.00 N ATOM 0 H GLN A 20 9.006 -4.064 8.282 1.00 0.00 H new ATOM 0 HA GLN A 20 11.378 -5.727 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.599 -6.767 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.543 -7.550 7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.247 -7.107 9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.773 -7.887 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.588 -9.016 9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.379 -10.409 8.837 1.00 0.00 H new ATOM 347 N ASP A 21 10.993 -6.113 5.775 1.00 0.00 N ATOM 348 CA ASP A 21 10.918 -5.920 4.357 1.00 0.00 C ATOM 349 C ASP A 21 10.065 -7.111 3.967 1.00 0.00 C ATOM 350 O ASP A 21 10.272 -8.225 4.406 1.00 0.00 O ATOM 351 CB ASP A 21 12.302 -5.986 3.699 1.00 0.00 C ATOM 352 CG ASP A 21 13.345 -5.404 4.655 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.980 -4.561 5.458 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.492 -5.811 4.567 1.00 0.00 O ATOM 0 H ASP A 21 11.608 -6.864 6.088 1.00 0.00 H new ATOM 0 HA ASP A 21 10.524 -4.951 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.552 -7.018 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.299 -5.428 2.763 1.00 0.00 H new ATOM 359 N GLY A 22 9.045 -6.847 3.213 1.00 0.00 N ATOM 360 CA GLY A 22 8.110 -7.882 2.864 1.00 0.00 C ATOM 361 C GLY A 22 7.294 -7.460 1.652 1.00 0.00 C ATOM 362 O GLY A 22 7.361 -6.324 1.221 1.00 0.00 O ATOM 0 H GLY A 22 8.834 -5.927 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.644 -8.808 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.448 -8.084 3.706 1.00 0.00 H new ATOM 366 N ALA A 23 6.604 -8.374 1.036 1.00 0.00 N ATOM 367 CA ALA A 23 5.862 -8.037 -0.150 1.00 0.00 C ATOM 368 C ALA A 23 4.490 -7.459 0.219 1.00 0.00 C ATOM 369 O ALA A 23 3.830 -7.856 1.157 1.00 0.00 O ATOM 370 CB ALA A 23 5.659 -9.299 -0.989 1.00 0.00 C ATOM 0 H ALA A 23 6.537 -9.349 1.328 1.00 0.00 H new ATOM 0 HA ALA A 23 6.421 -7.291 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.097 -9.051 -1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.629 -9.710 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.106 -10.037 -0.408 1.00 0.00 H new ATOM 376 N LEU A 24 4.153 -6.442 -0.506 1.00 0.00 N ATOM 377 CA LEU A 24 2.935 -5.694 -0.243 1.00 0.00 C ATOM 378 C LEU A 24 1.894 -5.981 -1.331 1.00 0.00 C ATOM 379 O LEU A 24 2.159 -5.929 -2.506 1.00 0.00 O ATOM 380 CB LEU A 24 3.276 -4.199 -0.231 1.00 0.00 C ATOM 381 CG LEU A 24 3.042 -3.601 1.147 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.087 -2.078 1.020 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.675 -4.023 1.678 1.00 0.00 C ATOM 0 H LEU A 24 4.700 -6.097 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 24 2.519 -5.992 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.317 -4.057 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.665 -3.677 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 24 3.809 -3.952 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.921 -1.626 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.062 -1.773 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.310 -1.747 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.518 -3.589 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.897 -3.672 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.632 -5.110 1.749 1.00 0.00 H new ATOM 395 N TYR A 25 0.701 -6.304 -0.913 1.00 0.00 N ATOM 396 CA TYR A 25 -0.372 -6.617 -1.843 1.00 0.00 C ATOM 397 C TYR A 25 -1.427 -5.526 -1.745 1.00 0.00 C ATOM 398 O TYR A 25 -1.799 -5.149 -0.659 1.00 0.00 O ATOM 399 CB TYR A 25 -1.047 -7.909 -1.386 1.00 0.00 C ATOM 400 CG TYR A 25 -0.482 -9.114 -2.083 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.614 -9.788 -1.536 1.00 0.00 C ATOM 402 CD2 TYR A 25 -1.086 -9.581 -3.250 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.108 -10.938 -2.159 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.592 -10.728 -3.880 1.00 0.00 C ATOM 405 CZ TYR A 25 0.504 -11.411 -3.332 1.00 0.00 C ATOM 406 OH TYR A 25 0.990 -12.546 -3.950 1.00 0.00 O ATOM 0 H TYR A 25 0.437 -6.360 0.071 1.00 0.00 H new ATOM 0 HA TYR A 25 0.028 -6.704 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.923 -8.022 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.118 -7.847 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.079 -9.421 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.934 -9.058 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.954 -11.461 -1.737 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.054 -11.088 -4.788 1.00 0.00 H new ATOM 0 HH TYR A 25 0.457 -12.737 -4.750 1.00 0.00 H new ATOM 416 N LEU A 26 -1.946 -5.003 -2.820 1.00 0.00 N ATOM 417 CA LEU A 26 -2.962 -3.986 -2.676 1.00 0.00 C ATOM 418 C LEU A 26 -4.267 -4.557 -3.242 1.00 0.00 C ATOM 419 O LEU A 26 -4.299 -5.064 -4.352 1.00 0.00 O ATOM 420 CB LEU A 26 -2.535 -2.736 -3.464 1.00 0.00 C ATOM 421 CG LEU A 26 -3.760 -1.916 -3.884 1.00 0.00 C ATOM 422 CD1 LEU A 26 -4.405 -1.286 -2.650 1.00 0.00 C ATOM 423 CD2 LEU A 26 -3.321 -0.810 -4.845 1.00 0.00 C ATOM 0 H LEU A 26 -1.697 -5.250 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.100 -3.705 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.873 -2.123 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.969 -3.032 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.481 -2.568 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.276 -0.704 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.715 -2.071 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.685 -0.633 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.189 -0.224 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.600 -0.161 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.860 -1.256 -5.727 1.00 0.00 H new ATOM 435 N MET A 27 -5.340 -4.451 -2.503 1.00 0.00 N ATOM 436 CA MET A 27 -6.615 -4.952 -2.978 1.00 0.00 C ATOM 437 C MET A 27 -7.568 -3.773 -3.140 1.00 0.00 C ATOM 438 O MET A 27 -7.420 -2.757 -2.491 1.00 0.00 O ATOM 439 CB MET A 27 -7.190 -5.939 -1.957 1.00 0.00 C ATOM 440 CG MET A 27 -8.615 -6.336 -2.354 1.00 0.00 C ATOM 441 SD MET A 27 -8.815 -8.125 -2.150 1.00 0.00 S ATOM 442 CE MET A 27 -9.139 -8.516 -3.886 1.00 0.00 C ATOM 0 H MET A 27 -5.363 -4.027 -1.576 1.00 0.00 H new ATOM 0 HA MET A 27 -6.485 -5.462 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.559 -6.826 -1.902 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.193 -5.488 -0.965 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.339 -5.804 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.809 -6.052 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.136 -8.946 -3.982 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.078 -7.605 -4.482 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.399 -9.233 -4.242 1.00 0.00 H new ATOM 452 N ALA A 28 -8.529 -3.896 -4.012 1.00 0.00 N ATOM 453 CA ALA A 28 -9.462 -2.811 -4.236 1.00 0.00 C ATOM 454 C ALA A 28 -9.815 -2.102 -2.926 1.00 0.00 C ATOM 455 O ALA A 28 -9.690 -0.898 -2.831 1.00 0.00 O ATOM 456 CB ALA A 28 -10.736 -3.369 -4.876 1.00 0.00 C ATOM 0 H ALA A 28 -8.692 -4.728 -4.579 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.994 -2.083 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.443 -2.557 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.489 -3.842 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.185 -4.106 -4.210 1.00 0.00 H new ATOM 462 N GLU A 29 -10.304 -2.794 -1.928 1.00 0.00 N ATOM 463 CA GLU A 29 -10.698 -2.111 -0.710 1.00 0.00 C ATOM 464 C GLU A 29 -9.679 -2.304 0.425 1.00 0.00 C ATOM 465 O GLU A 29 -9.943 -1.938 1.546 1.00 0.00 O ATOM 466 CB GLU A 29 -12.029 -2.717 -0.275 1.00 0.00 C ATOM 467 CG GLU A 29 -12.446 -2.192 1.105 1.00 0.00 C ATOM 468 CD GLU A 29 -13.922 -1.791 1.071 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.307 -1.106 0.137 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.641 -2.175 1.978 1.00 0.00 O ATOM 0 H GLU A 29 -10.439 -3.805 -1.927 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.765 -1.041 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.799 -2.476 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.946 -3.803 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.283 -2.959 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.831 -1.335 1.381 1.00 0.00 H new ATOM 477 N ARG A 30 -8.530 -2.867 0.191 1.00 0.00 N ATOM 478 CA ARG A 30 -7.624 -3.015 1.321 1.00 0.00 C ATOM 479 C ARG A 30 -6.167 -3.166 0.898 1.00 0.00 C ATOM 480 O ARG A 30 -5.845 -3.431 -0.239 1.00 0.00 O ATOM 481 CB ARG A 30 -8.042 -4.215 2.182 1.00 0.00 C ATOM 482 CG ARG A 30 -7.380 -5.510 1.708 1.00 0.00 C ATOM 483 CD ARG A 30 -8.454 -6.580 1.532 1.00 0.00 C ATOM 484 NE ARG A 30 -9.425 -6.110 0.562 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.337 -6.919 0.094 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.387 -8.159 0.501 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.200 -6.488 -0.784 1.00 0.00 N ATOM 0 H ARG A 30 -8.200 -3.216 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.696 -2.096 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.773 -4.028 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.126 -4.327 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.857 -5.343 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.635 -5.839 2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.005 -7.514 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.941 -6.786 2.485 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.395 -5.141 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.712 -8.498 1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.101 -8.788 0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.162 -5.520 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.913 -7.119 -1.151 1.00 0.00 H new ATOM 501 N ILE A 31 -5.294 -3.000 1.850 1.00 0.00 N ATOM 502 CA ILE A 31 -3.874 -3.127 1.592 1.00 0.00 C ATOM 503 C ILE A 31 -3.368 -4.386 2.317 1.00 0.00 C ATOM 504 O ILE A 31 -3.555 -4.542 3.503 1.00 0.00 O ATOM 505 CB ILE A 31 -3.160 -1.858 2.098 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.029 -0.865 0.941 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.763 -2.194 2.633 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.948 -1.345 -0.029 1.00 0.00 C ATOM 0 H ILE A 31 -5.533 -2.776 2.816 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.669 -3.228 0.526 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.747 -1.425 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.982 -0.770 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.775 0.123 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.279 -1.283 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.850 -2.900 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.166 -2.638 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.857 -0.636 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.995 -1.417 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.221 -2.324 -0.422 1.00 0.00 H new ATOM 520 N ALA A 32 -2.753 -5.292 1.606 1.00 0.00 N ATOM 521 CA ALA A 32 -2.278 -6.518 2.229 1.00 0.00 C ATOM 522 C ALA A 32 -0.760 -6.547 2.301 1.00 0.00 C ATOM 523 O ALA A 32 -0.065 -5.895 1.550 1.00 0.00 O ATOM 524 CB ALA A 32 -2.771 -7.719 1.422 1.00 0.00 C ATOM 0 H ALA A 32 -2.566 -5.216 0.606 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.669 -6.560 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.417 -8.639 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.861 -7.720 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.387 -7.655 0.404 1.00 0.00 H new ATOM 530 N TRP A 33 -0.256 -7.323 3.216 1.00 0.00 N ATOM 531 CA TRP A 33 1.176 -7.430 3.366 1.00 0.00 C ATOM 532 C TRP A 33 1.579 -8.875 3.542 1.00 0.00 C ATOM 533 O TRP A 33 0.890 -9.636 4.161 1.00 0.00 O ATOM 534 CB TRP A 33 1.649 -6.681 4.596 1.00 0.00 C ATOM 535 CG TRP A 33 3.130 -6.755 4.610 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.899 -6.555 3.522 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.050 -7.077 5.700 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.216 -6.645 3.900 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.364 -6.979 5.198 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.896 -7.418 7.053 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.480 -7.194 5.975 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.032 -7.660 7.851 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.324 -7.540 7.304 1.00 0.00 C ATOM 0 H TRP A 33 -0.803 -7.888 3.866 1.00 0.00 H new ATOM 0 HA TRP A 33 1.626 -7.007 2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.316 -5.644 4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.233 -7.124 5.501 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.541 -6.357 2.523 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.998 -6.477 3.267 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.908 -7.495 7.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.468 -7.093 5.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.911 -7.939 8.887 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.192 -7.718 7.922 1.00 0.00 H new ATOM 554 N ALA A 34 2.713 -9.238 3.029 1.00 0.00 N ATOM 555 CA ALA A 34 3.179 -10.603 3.187 1.00 0.00 C ATOM 556 C ALA A 34 4.711 -10.656 3.187 1.00 0.00 C ATOM 557 O ALA A 34 5.359 -9.749 2.714 1.00 0.00 O ATOM 558 CB ALA A 34 2.667 -11.466 2.046 1.00 0.00 C ATOM 0 H ALA A 34 3.335 -8.626 2.501 1.00 0.00 H new ATOM 0 HA ALA A 34 2.801 -10.977 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.023 -12.488 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.577 -11.459 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.033 -11.071 1.098 1.00 0.00 H new ATOM 564 N PRO A 35 5.237 -11.752 3.680 1.00 0.00 N ATOM 565 CA PRO A 35 6.708 -11.907 3.661 1.00 0.00 C ATOM 566 C PRO A 35 7.062 -13.044 2.700 1.00 0.00 C ATOM 567 O PRO A 35 6.205 -13.569 2.017 1.00 0.00 O ATOM 568 CB PRO A 35 7.117 -12.271 5.092 1.00 0.00 C ATOM 569 CG PRO A 35 5.826 -12.434 5.916 1.00 0.00 C ATOM 570 CD PRO A 35 4.646 -12.084 5.000 1.00 0.00 C ATOM 0 HA PRO A 35 7.220 -11.003 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.697 -13.194 5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.749 -11.493 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.734 -13.455 6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.842 -11.779 6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.954 -12.922 4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.080 -11.241 5.397 1.00 0.00 H new ATOM 678 N THR A 42 0.209 -11.713 4.554 1.00 0.00 N ATOM 679 CA THR A 42 0.196 -11.861 5.990 1.00 0.00 C ATOM 680 C THR A 42 -0.961 -11.035 6.593 1.00 0.00 C ATOM 681 O THR A 42 -1.529 -11.394 7.605 1.00 0.00 O ATOM 682 CB THR A 42 1.570 -11.382 6.525 1.00 0.00 C ATOM 683 OG1 THR A 42 1.830 -12.002 7.775 1.00 0.00 O ATOM 684 CG2 THR A 42 1.615 -9.854 6.700 1.00 0.00 C ATOM 0 HA THR A 42 0.036 -12.901 6.275 1.00 0.00 H new ATOM 0 HB THR A 42 2.329 -11.660 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.699 -11.702 8.114 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.595 -9.560 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.436 -9.372 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.846 -9.546 7.409 1.00 0.00 H new ATOM 692 N ILE A 43 -1.284 -9.917 5.995 1.00 0.00 N ATOM 693 CA ILE A 43 -2.343 -9.081 6.547 1.00 0.00 C ATOM 694 C ILE A 43 -3.103 -8.351 5.444 1.00 0.00 C ATOM 695 O ILE A 43 -2.776 -8.443 4.276 1.00 0.00 O ATOM 696 CB ILE A 43 -1.737 -8.050 7.502 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.634 -7.276 6.778 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.145 -8.766 8.717 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.050 -5.811 6.610 1.00 0.00 C ATOM 0 H ILE A 43 -0.846 -9.562 5.145 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.040 -9.727 7.080 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.512 -7.358 7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.296 -7.337 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.444 -7.723 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.713 -8.032 9.397 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.930 -9.320 9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.369 -9.457 8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.260 -5.265 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.969 -5.758 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.217 -5.366 7.591 1.00 0.00 H new ATOM 711 N SER A 44 -4.113 -7.607 5.821 1.00 0.00 N ATOM 712 CA SER A 44 -4.895 -6.863 4.858 1.00 0.00 C ATOM 713 C SER A 44 -5.760 -5.855 5.630 1.00 0.00 C ATOM 714 O SER A 44 -6.568 -6.231 6.455 1.00 0.00 O ATOM 715 CB SER A 44 -5.796 -7.818 4.076 1.00 0.00 C ATOM 716 OG SER A 44 -6.146 -8.918 4.906 1.00 0.00 O ATOM 0 H SER A 44 -4.415 -7.499 6.789 1.00 0.00 H new ATOM 0 HA SER A 44 -4.241 -6.346 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.694 -7.298 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.282 -8.171 3.182 1.00 0.00 H new ATOM 0 HG SER A 44 -6.725 -9.532 4.408 1.00 0.00 H new ATOM 722 N HIS A 45 -5.601 -4.582 5.378 1.00 0.00 N ATOM 723 CA HIS A 45 -6.404 -3.599 6.096 1.00 0.00 C ATOM 724 C HIS A 45 -7.414 -2.986 5.136 1.00 0.00 C ATOM 725 O HIS A 45 -7.056 -2.372 4.149 1.00 0.00 O ATOM 726 CB HIS A 45 -5.538 -2.469 6.663 1.00 0.00 C ATOM 727 CG HIS A 45 -4.075 -2.737 6.434 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.322 -2.759 5.291 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.198 -3.008 7.472 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -1.995 -3.037 5.607 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -1.976 -3.178 6.935 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.943 -4.198 4.700 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.900 -4.110 6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.815 -1.525 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.728 -2.363 7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.449 -3.071 8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.161 -3.121 4.926 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.137 -3.389 7.476 1.00 0.00 H new ATOM 739 N MET A 46 -8.675 -3.154 5.416 1.00 0.00 N ATOM 740 CA MET A 46 -9.690 -2.612 4.545 1.00 0.00 C ATOM 741 C MET A 46 -9.668 -1.085 4.593 1.00 0.00 C ATOM 742 O MET A 46 -9.839 -0.479 5.623 1.00 0.00 O ATOM 743 CB MET A 46 -11.062 -3.114 4.984 1.00 0.00 C ATOM 744 CG MET A 46 -11.616 -4.075 3.932 1.00 0.00 C ATOM 745 SD MET A 46 -11.278 -5.780 4.438 1.00 0.00 S ATOM 746 CE MET A 46 -12.983 -6.383 4.365 1.00 0.00 C ATOM 0 H MET A 46 -9.027 -3.656 6.231 1.00 0.00 H new ATOM 0 HA MET A 46 -9.489 -2.938 3.524 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.985 -3.618 5.947 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.743 -2.273 5.118 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.689 -3.925 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.159 -3.874 2.963 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.009 -7.436 4.645 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.602 -5.809 5.055 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.367 -6.268 3.351 1.00 0.00 H new ATOM 756 N TYR A 47 -9.413 -0.479 3.478 1.00 0.00 N ATOM 757 CA TYR A 47 -9.348 0.966 3.417 1.00 0.00 C ATOM 758 C TYR A 47 -10.473 1.589 4.280 1.00 0.00 C ATOM 759 O TYR A 47 -10.226 2.479 5.063 1.00 0.00 O ATOM 760 CB TYR A 47 -9.489 1.399 1.953 1.00 0.00 C ATOM 761 CG TYR A 47 -8.176 1.196 1.208 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.955 1.030 1.897 1.00 0.00 C ATOM 763 CD2 TYR A 47 -8.178 1.185 -0.194 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.766 0.862 1.180 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.994 1.014 -0.895 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.785 0.854 -0.215 1.00 0.00 C ATOM 767 OH TYR A 47 -4.611 0.692 -0.919 1.00 0.00 O ATOM 0 H TYR A 47 -9.245 -0.953 2.591 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.393 1.313 3.810 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.280 0.823 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.783 2.447 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.939 1.033 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.107 1.310 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.832 0.738 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.007 1.004 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.361 1.542 -1.339 1.00 0.00 H new ATOM 777 N ALA A 48 -11.695 1.120 4.178 1.00 0.00 N ATOM 778 CA ALA A 48 -12.766 1.681 5.013 1.00 0.00 C ATOM 779 C ALA A 48 -12.513 1.272 6.476 1.00 0.00 C ATOM 780 O ALA A 48 -12.780 1.996 7.414 1.00 0.00 O ATOM 781 CB ALA A 48 -14.116 1.150 4.528 1.00 0.00 C ATOM 0 H ALA A 48 -11.982 0.372 3.547 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.778 2.769 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.913 1.564 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.271 1.444 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.127 0.063 4.603 1.00 0.00 H new ATOM 787 N ASP A 49 -11.944 0.115 6.626 1.00 0.00 N ATOM 788 CA ASP A 49 -11.571 -0.428 7.928 1.00 0.00 C ATOM 789 C ASP A 49 -10.410 0.394 8.512 1.00 0.00 C ATOM 790 O ASP A 49 -9.984 0.185 9.631 1.00 0.00 O ATOM 791 CB ASP A 49 -11.143 -1.888 7.779 1.00 0.00 C ATOM 792 CG ASP A 49 -12.381 -2.761 7.566 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.251 -2.349 6.817 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.437 -3.828 8.155 1.00 0.00 O ATOM 0 H ASP A 49 -11.716 -0.500 5.845 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.428 -0.375 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.460 -1.994 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.604 -2.213 8.669 1.00 0.00 H new ATOM 799 N ILE A 50 -9.911 1.333 7.757 1.00 0.00 N ATOM 800 CA ILE A 50 -8.826 2.157 8.241 1.00 0.00 C ATOM 801 C ILE A 50 -9.071 3.614 7.821 1.00 0.00 C ATOM 802 O ILE A 50 -9.524 3.859 6.724 1.00 0.00 O ATOM 803 CB ILE A 50 -7.526 1.659 7.617 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.581 1.870 6.103 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.358 0.168 7.907 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.245 1.459 5.481 1.00 0.00 C ATOM 0 H ILE A 50 -10.230 1.550 6.813 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.764 2.101 9.328 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.686 2.211 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.391 1.281 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.792 2.915 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.429 -0.187 7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.327 0.008 8.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.198 -0.382 7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.284 1.609 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.445 2.067 5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.053 0.407 5.694 1.00 0.00 H new ATOM 818 N LYS A 51 -8.762 4.607 8.630 1.00 0.00 N ATOM 819 CA LYS A 51 -8.995 5.945 8.132 1.00 0.00 C ATOM 820 C LYS A 51 -7.945 6.948 8.605 1.00 0.00 C ATOM 821 O LYS A 51 -7.990 7.473 9.699 1.00 0.00 O ATOM 822 CB LYS A 51 -10.350 6.461 8.580 1.00 0.00 C ATOM 823 CG LYS A 51 -10.499 7.895 8.058 1.00 0.00 C ATOM 824 CD LYS A 51 -10.071 7.968 6.585 1.00 0.00 C ATOM 825 CE LYS A 51 -10.183 9.412 6.096 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.049 10.210 6.642 1.00 0.00 N ATOM 0 H LYS A 51 -8.376 4.527 9.571 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.944 5.863 7.046 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.148 5.828 8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.427 6.440 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.534 8.222 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.890 8.573 8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.046 7.613 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.701 7.317 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.170 9.440 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.132 9.843 6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.005 11.128 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.191 10.364 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.158 9.695 6.491 1.00 0.00 H new ATOM 840 N CYS A 52 -7.072 7.267 7.714 1.00 0.00 N ATOM 841 CA CYS A 52 -6.058 8.273 7.926 1.00 0.00 C ATOM 842 C CYS A 52 -5.146 8.198 6.720 1.00 0.00 C ATOM 843 O CYS A 52 -4.746 7.116 6.332 1.00 0.00 O ATOM 844 CB CYS A 52 -5.273 8.043 9.200 1.00 0.00 C ATOM 845 SG CYS A 52 -4.370 9.552 9.628 1.00 0.00 S ATOM 0 H CYS A 52 -7.032 6.833 6.792 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.516 9.256 8.038 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.947 7.767 10.011 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.577 7.215 9.067 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.052 9.525 10.888 1.00 0.00 H new ATOM 851 N GLN A 53 -4.817 9.281 6.103 1.00 0.00 N ATOM 852 CA GLN A 53 -3.976 9.151 4.938 1.00 0.00 C ATOM 853 C GLN A 53 -2.994 10.304 4.831 1.00 0.00 C ATOM 854 O GLN A 53 -3.349 11.466 4.820 1.00 0.00 O ATOM 855 CB GLN A 53 -4.852 9.112 3.687 1.00 0.00 C ATOM 856 CG GLN A 53 -6.006 8.139 3.915 1.00 0.00 C ATOM 857 CD GLN A 53 -6.675 7.813 2.580 1.00 0.00 C ATOM 858 OE1 GLN A 53 -6.160 8.145 1.531 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.810 7.171 2.577 1.00 0.00 N ATOM 0 H GLN A 53 -5.095 10.228 6.360 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.405 8.227 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.238 10.107 3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.262 8.801 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.637 7.225 4.381 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.733 8.576 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.241 6.893 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.267 6.947 1.693 1.00 0.00 H new ATOM 868 N LYS A 54 -1.748 9.953 4.741 1.00 0.00 N ATOM 869 CA LYS A 54 -0.700 10.930 4.622 1.00 0.00 C ATOM 870 C LYS A 54 0.129 10.558 3.389 1.00 0.00 C ATOM 871 O LYS A 54 0.576 9.437 3.252 1.00 0.00 O ATOM 872 CB LYS A 54 0.156 10.887 5.904 1.00 0.00 C ATOM 873 CG LYS A 54 1.643 11.085 5.584 1.00 0.00 C ATOM 874 CD LYS A 54 2.320 11.829 6.737 1.00 0.00 C ATOM 875 CE LYS A 54 3.072 13.043 6.190 1.00 0.00 C ATOM 876 NZ LYS A 54 2.737 14.243 7.006 1.00 0.00 N ATOM 0 H LYS A 54 -1.425 8.985 4.748 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.091 11.941 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.177 11.663 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.014 9.931 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.124 10.119 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.754 11.649 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.574 12.148 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.010 11.165 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.146 12.861 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.802 13.212 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.248 15.069 6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.713 14.420 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.016 14.079 7.995 1.00 0.00 H new ATOM 988 N LYS A 62 12.399 7.594 -0.283 1.00 0.00 N ATOM 989 CA LYS A 62 12.288 6.792 -1.483 1.00 0.00 C ATOM 990 C LYS A 62 10.918 6.148 -1.614 1.00 0.00 C ATOM 991 O LYS A 62 10.846 5.016 -1.993 1.00 0.00 O ATOM 992 CB LYS A 62 13.339 5.671 -1.510 1.00 0.00 C ATOM 993 CG LYS A 62 14.064 5.611 -0.155 1.00 0.00 C ATOM 994 CD LYS A 62 14.856 4.310 -0.038 1.00 0.00 C ATOM 995 CE LYS A 62 16.138 4.561 0.758 1.00 0.00 C ATOM 996 NZ LYS A 62 17.014 5.502 0.006 1.00 0.00 N ATOM 0 HA LYS A 62 12.450 7.479 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.860 4.715 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.057 5.851 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.735 6.464 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.340 5.679 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.253 3.548 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.100 3.930 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.896 4.976 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.661 3.620 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.011 5.257 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.806 5.433 -1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.838 6.474 0.330 1.00 0.00 H new ATOM 1010 N ILE A 63 9.835 6.834 -1.347 1.00 0.00 N ATOM 1011 CA ILE A 63 8.509 6.257 -1.533 1.00 0.00 C ATOM 1012 C ILE A 63 7.959 5.508 -0.297 1.00 0.00 C ATOM 1013 O ILE A 63 8.002 4.301 -0.178 1.00 0.00 O ATOM 1014 CB ILE A 63 8.404 5.467 -2.855 1.00 0.00 C ATOM 1015 CG1 ILE A 63 8.790 3.966 -2.701 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.289 6.165 -3.901 1.00 0.00 C ATOM 1017 CD1 ILE A 63 9.841 3.545 -3.760 1.00 0.00 C ATOM 0 H ILE A 63 9.836 7.793 -1.000 1.00 0.00 H new ATOM 0 HA ILE A 63 7.826 7.101 -1.632 1.00 0.00 H new ATOM 0 HB ILE A 63 7.362 5.465 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.187 3.791 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.899 3.346 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.231 5.624 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.942 7.188 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.322 6.178 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 63 10.090 2.492 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.432 3.698 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.741 4.149 -3.640 1.00 0.00 H new ATOM 1029 N GLN A 64 7.420 6.286 0.616 1.00 0.00 N ATOM 1030 CA GLN A 64 6.838 5.750 1.840 1.00 0.00 C ATOM 1031 C GLN A 64 5.429 6.317 2.043 1.00 0.00 C ATOM 1032 O GLN A 64 5.222 7.513 1.999 1.00 0.00 O ATOM 1033 CB GLN A 64 7.704 6.140 3.036 1.00 0.00 C ATOM 1034 CG GLN A 64 7.495 7.619 3.374 1.00 0.00 C ATOM 1035 CD GLN A 64 8.497 8.044 4.450 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.721 7.590 4.402 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 8.164 8.797 5.343 1.00 0.00 N flip ATOM 0 H GLN A 64 7.370 7.302 0.538 1.00 0.00 H new ATOM 0 HA GLN A 64 6.787 4.664 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.449 5.522 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.754 5.955 2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.625 8.229 2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.476 7.782 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.208 9.152 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.840 9.074 6.055 1.00 0.00 H new ATOM 1046 N LEU A 65 4.459 5.477 2.291 1.00 0.00 N ATOM 1047 CA LEU A 65 3.116 5.993 2.504 1.00 0.00 C ATOM 1048 C LEU A 65 2.666 5.710 3.940 1.00 0.00 C ATOM 1049 O LEU A 65 3.267 4.915 4.644 1.00 0.00 O ATOM 1050 CB LEU A 65 2.121 5.389 1.490 1.00 0.00 C ATOM 1051 CG LEU A 65 2.199 3.855 1.433 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.448 3.422 0.672 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.219 3.251 2.836 1.00 0.00 C ATOM 0 H LEU A 65 4.558 4.464 2.351 1.00 0.00 H new ATOM 0 HA LEU A 65 3.133 7.072 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.108 5.689 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.323 5.797 0.500 1.00 0.00 H new ATOM 0 HG LEU A 65 1.311 3.493 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.494 2.334 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.410 3.816 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.334 3.807 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.274 2.165 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.087 3.623 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.310 3.533 3.367 1.00 0.00 H new ATOM 1065 N GLN A 66 1.614 6.355 4.383 1.00 0.00 N ATOM 1066 CA GLN A 66 1.148 6.130 5.742 1.00 0.00 C ATOM 1067 C GLN A 66 -0.385 6.206 5.811 1.00 0.00 C ATOM 1068 O GLN A 66 -1.004 7.121 5.305 1.00 0.00 O ATOM 1069 CB GLN A 66 1.748 7.190 6.667 1.00 0.00 C ATOM 1070 CG GLN A 66 2.428 6.505 7.855 1.00 0.00 C ATOM 1071 CD GLN A 66 3.432 7.467 8.493 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.688 7.122 8.575 1.00 0.00 O flip ATOM 1073 NE2 GLN A 66 3.069 8.545 8.922 1.00 0.00 N flip ATOM 0 H GLN A 66 1.070 7.027 3.841 1.00 0.00 H new ATOM 0 HA GLN A 66 1.464 5.136 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.470 7.797 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.967 7.864 7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.682 6.202 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.936 5.599 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.087 8.815 8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.746 9.179 9.346 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.988 5.238 6.448 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.429 5.210 6.580 1.00 0.00 C ATOM 1084 C LEU A 67 -2.740 4.808 8.012 1.00 0.00 C ATOM 1085 O LEU A 67 -1.973 4.106 8.641 1.00 0.00 O ATOM 1086 CB LEU A 67 -3.012 4.173 5.614 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.325 4.694 5.022 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.632 3.948 3.722 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.462 4.455 6.016 1.00 0.00 C ATOM 0 H LEU A 67 -0.506 4.453 6.887 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.862 6.183 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.300 3.966 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.186 3.233 6.137 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.231 5.761 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.567 4.319 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.823 4.111 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.725 2.882 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.397 4.826 5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.552 3.387 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.249 4.982 6.946 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.845 5.223 8.544 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.136 4.826 9.904 1.00 0.00 C ATOM 1103 C VAL A 68 -5.487 4.169 9.978 1.00 0.00 C ATOM 1104 O VAL A 68 -6.329 4.298 9.115 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.068 5.986 10.893 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.886 5.436 12.302 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.862 6.838 10.582 1.00 0.00 C ATOM 0 H VAL A 68 -4.542 5.813 8.089 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.361 4.116 10.193 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.985 6.570 10.819 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.837 6.262 13.011 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.729 4.792 12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.962 4.860 12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.811 7.668 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.958 6.234 10.666 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.944 7.229 9.568 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.655 3.421 11.000 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.860 2.679 11.196 1.00 0.00 C ATOM 1119 C LEU A 69 -7.833 3.533 11.999 1.00 0.00 C ATOM 1120 O LEU A 69 -7.421 4.241 12.896 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.469 1.418 11.987 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.320 0.629 11.278 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.797 -0.735 10.826 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.784 1.339 10.033 1.00 0.00 C ATOM 0 H LEU A 69 -4.960 3.298 11.736 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.338 2.408 10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.152 1.701 12.991 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.340 0.772 12.098 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.528 0.552 12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.979 -1.263 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.132 -1.308 11.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.624 -0.618 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.989 0.741 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.591 1.467 9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.390 2.316 10.313 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.122 3.468 11.720 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.061 4.253 12.515 1.00 0.00 C ATOM 1138 C HIS A 70 -9.654 4.046 13.977 1.00 0.00 C ATOM 1139 O HIS A 70 -9.751 4.917 14.819 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.489 3.748 12.293 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.487 2.246 12.215 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.280 1.448 13.330 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.668 1.382 11.164 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.342 0.166 12.927 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.576 0.069 11.615 1.00 0.00 N ATOM 0 H HIS A 70 -9.536 2.903 10.978 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.036 5.307 12.237 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.133 4.079 13.108 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.896 4.169 11.374 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.854 1.677 10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.218 -0.682 13.584 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.667 -0.784 11.063 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.138 2.873 14.226 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.647 2.535 15.537 1.00 0.00 C ATOM 1155 C ALA A 71 -7.329 3.287 15.751 1.00 0.00 C ATOM 1156 O ALA A 71 -7.110 4.345 15.196 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.405 1.027 15.628 1.00 0.00 C ATOM 0 H ALA A 71 -9.046 2.130 13.534 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.374 2.814 16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.034 0.777 16.622 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.340 0.497 15.446 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.669 0.731 14.881 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.470 2.773 16.577 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.214 3.456 16.857 1.00 0.00 C ATOM 1165 C GLY A 72 -4.068 2.663 16.249 1.00 0.00 C ATOM 1166 O GLY A 72 -3.101 2.322 16.901 1.00 0.00 O ATOM 0 H GLY A 72 -6.600 1.891 17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.234 4.464 16.443 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.072 3.556 17.933 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.195 2.356 15.003 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.169 1.586 14.349 1.00 0.00 C ATOM 1172 C ASP A 73 -2.765 2.275 13.059 1.00 0.00 C ATOM 1173 O ASP A 73 -3.589 2.696 12.279 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.686 0.176 14.062 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.508 -0.697 15.306 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -4.173 -0.429 16.293 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -2.710 -1.618 15.250 1.00 0.00 O ATOM 0 H ASP A 73 -4.986 2.618 14.414 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.297 1.512 14.998 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.738 0.214 13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.145 -0.257 13.221 1.00 0.00 H new ATOM 1182 N THR A 74 -1.493 2.403 12.844 1.00 0.00 N ATOM 1183 CA THR A 74 -1.033 3.068 11.652 1.00 0.00 C ATOM 1184 C THR A 74 -0.461 2.032 10.702 1.00 0.00 C ATOM 1185 O THR A 74 -0.143 0.925 11.088 1.00 0.00 O ATOM 1186 CB THR A 74 0.054 4.083 12.015 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.162 4.553 13.338 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.003 5.259 11.038 1.00 0.00 C ATOM 0 H THR A 74 -0.759 2.063 13.465 1.00 0.00 H new ATOM 0 HA THR A 74 -1.864 3.589 11.177 1.00 0.00 H new ATOM 0 HB THR A 74 1.032 3.606 11.954 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.534 5.202 13.572 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.777 5.981 11.297 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.170 4.897 10.024 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.974 5.738 11.096 1.00 0.00 H new ATOM 1196 N THR A 75 -0.314 2.385 9.463 1.00 0.00 N ATOM 1197 CA THR A 75 0.234 1.463 8.508 1.00 0.00 C ATOM 1198 C THR A 75 1.283 2.230 7.708 1.00 0.00 C ATOM 1199 O THR A 75 0.952 3.066 6.889 1.00 0.00 O ATOM 1200 CB THR A 75 -0.872 0.970 7.571 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.874 0.310 8.332 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.283 -0.001 6.548 1.00 0.00 C ATOM 0 H THR A 75 -0.563 3.300 9.087 1.00 0.00 H new ATOM 0 HA THR A 75 0.672 0.597 9.004 1.00 0.00 H new ATOM 0 HB THR A 75 -1.312 1.820 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.584 -0.005 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.072 -0.351 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.485 0.507 5.965 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.158 -0.852 7.066 1.00 0.00 H new ATOM 1210 N ASN A 76 2.538 1.970 7.927 1.00 0.00 N ATOM 1211 CA ASN A 76 3.553 2.684 7.186 1.00 0.00 C ATOM 1212 C ASN A 76 4.214 1.709 6.227 1.00 0.00 C ATOM 1213 O ASN A 76 4.481 0.575 6.575 1.00 0.00 O ATOM 1214 CB ASN A 76 4.601 3.241 8.150 1.00 0.00 C ATOM 1215 CG ASN A 76 3.910 4.081 9.227 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.699 4.081 9.329 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.633 4.800 10.041 1.00 0.00 N ATOM 0 H ASN A 76 2.886 1.284 8.597 1.00 0.00 H new ATOM 0 HA ASN A 76 3.104 3.512 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.156 2.424 8.611 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.323 3.850 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.182 5.362 10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.649 4.800 9.956 1.00 0.00 H new ATOM 1224 N PHE A 77 4.472 2.115 5.021 1.00 0.00 N ATOM 1225 CA PHE A 77 5.084 1.183 4.104 1.00 0.00 C ATOM 1226 C PHE A 77 6.099 1.885 3.202 1.00 0.00 C ATOM 1227 O PHE A 77 6.005 3.065 2.919 1.00 0.00 O ATOM 1228 CB PHE A 77 3.999 0.505 3.273 1.00 0.00 C ATOM 1229 CG PHE A 77 3.984 -0.963 3.603 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.192 -1.650 3.710 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.774 -1.644 3.788 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.206 -3.005 3.996 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.788 -3.009 4.079 1.00 0.00 C ATOM 1234 CZ PHE A 77 4.012 -3.685 4.180 1.00 0.00 C ATOM 0 H PHE A 77 4.280 3.046 4.652 1.00 0.00 H new ATOM 0 HA PHE A 77 5.623 0.427 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.027 0.950 3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.191 0.651 2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.124 -1.122 3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.836 -1.116 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.146 -3.531 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.860 -3.542 4.226 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.025 -4.742 4.402 1.00 0.00 H new ATOM 1244 N HIS A 78 7.090 1.144 2.787 1.00 0.00 N ATOM 1245 CA HIS A 78 8.129 1.715 1.962 1.00 0.00 C ATOM 1246 C HIS A 78 8.599 0.721 0.911 1.00 0.00 C ATOM 1247 O HIS A 78 8.555 -0.472 1.083 1.00 0.00 O ATOM 1248 CB HIS A 78 9.337 2.118 2.829 1.00 0.00 C ATOM 1249 CG HIS A 78 10.262 2.977 2.005 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.000 2.454 0.966 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.549 4.325 2.015 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.672 3.469 0.398 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.437 4.625 1.000 1.00 0.00 N ATOM 0 H HIS A 78 7.203 0.153 3.002 1.00 0.00 H new ATOM 0 HA HIS A 78 7.712 2.593 1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.003 2.663 3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.861 1.230 3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.140 5.041 2.713 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.329 3.355 -0.452 1.00 0.00 H new ATOM 0 HE2 HIS A 78 11.827 5.538 0.765 1.00 0.00 H new ATOM 1261 N PHE A 79 9.073 1.246 -0.163 1.00 0.00 N ATOM 1262 CA PHE A 79 9.593 0.432 -1.242 1.00 0.00 C ATOM 1263 C PHE A 79 10.985 0.979 -1.538 1.00 0.00 C ATOM 1264 O PHE A 79 11.125 2.173 -1.643 1.00 0.00 O ATOM 1265 CB PHE A 79 8.740 0.633 -2.481 1.00 0.00 C ATOM 1266 CG PHE A 79 7.263 0.459 -2.214 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.533 1.486 -1.594 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.608 -0.695 -2.652 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.149 1.347 -1.410 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.233 -0.830 -2.460 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.506 0.185 -1.844 1.00 0.00 C ATOM 0 H PHE A 79 9.118 2.251 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 79 9.601 -0.625 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.917 1.632 -2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.051 -0.076 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.036 2.381 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.166 -1.481 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.583 2.135 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.730 -1.726 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.441 0.074 -1.701 1.00 0.00 H new ATOM 1346 N ALA A 85 13.550 1.930 -6.062 1.00 0.00 N ATOM 1347 CA ALA A 85 12.670 2.824 -5.328 1.00 0.00 C ATOM 1348 C ALA A 85 12.229 3.929 -6.285 1.00 0.00 C ATOM 1349 O ALA A 85 12.660 5.061 -6.182 1.00 0.00 O ATOM 1350 CB ALA A 85 13.398 3.427 -4.125 1.00 0.00 C ATOM 0 HA ALA A 85 11.806 2.276 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.723 4.093 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.725 2.628 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.266 3.990 -4.469 1.00 0.00 H new ATOM 1356 N VAL A 86 11.412 3.609 -7.229 1.00 0.00 N ATOM 1357 CA VAL A 86 10.992 4.618 -8.193 1.00 0.00 C ATOM 1358 C VAL A 86 9.593 4.316 -8.775 1.00 0.00 C ATOM 1359 O VAL A 86 8.688 3.902 -8.078 1.00 0.00 O ATOM 1360 CB VAL A 86 12.023 4.687 -9.327 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.049 6.103 -9.906 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.415 4.339 -8.791 1.00 0.00 C ATOM 0 H VAL A 86 11.017 2.679 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 86 10.930 5.576 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 86 11.746 3.974 -10.103 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.781 6.153 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.063 6.355 -10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.322 6.811 -9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.141 4.390 -9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.692 5.048 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.404 3.331 -8.377 1.00 0.00 H new ATOM 1372 N LYS A 87 9.425 4.553 -10.062 1.00 0.00 N ATOM 1373 CA LYS A 87 8.149 4.335 -10.733 1.00 0.00 C ATOM 1374 C LYS A 87 7.402 3.127 -10.162 1.00 0.00 C ATOM 1375 O LYS A 87 6.250 3.235 -9.793 1.00 0.00 O ATOM 1376 CB LYS A 87 8.406 4.100 -12.222 1.00 0.00 C ATOM 1377 CG LYS A 87 7.809 5.251 -13.035 1.00 0.00 C ATOM 1378 CD LYS A 87 7.337 4.722 -14.391 1.00 0.00 C ATOM 1379 CE LYS A 87 6.425 5.755 -15.053 1.00 0.00 C ATOM 1380 NZ LYS A 87 5.134 5.824 -14.314 1.00 0.00 N ATOM 0 H LYS A 87 10.164 4.901 -10.674 1.00 0.00 H new ATOM 0 HA LYS A 87 7.530 5.219 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.477 4.027 -12.409 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.963 3.154 -12.533 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.974 5.697 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.553 6.035 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.195 4.515 -15.031 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.803 3.781 -14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.907 6.733 -15.056 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.247 5.484 -16.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.387 6.167 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.883 4.877 -13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.229 6.476 -13.509 1.00 0.00 H new ATOM 1394 N GLU A 88 8.032 1.979 -10.105 1.00 0.00 N ATOM 1395 CA GLU A 88 7.361 0.789 -9.584 1.00 0.00 C ATOM 1396 C GLU A 88 6.481 1.173 -8.395 1.00 0.00 C ATOM 1397 O GLU A 88 5.265 1.240 -8.463 1.00 0.00 O ATOM 1398 CB GLU A 88 8.426 -0.208 -9.079 1.00 0.00 C ATOM 1399 CG GLU A 88 9.728 0.524 -8.711 1.00 0.00 C ATOM 1400 CD GLU A 88 10.766 0.300 -9.812 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.404 -0.253 -10.838 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.906 0.685 -9.611 1.00 0.00 O ATOM 0 H GLU A 88 8.996 1.833 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 88 6.756 0.346 -10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.046 -0.743 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.627 -0.953 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.536 1.590 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.108 0.156 -7.758 1.00 0.00 H new ATOM 1409 N ARG A 89 7.124 1.429 -7.315 1.00 0.00 N ATOM 1410 CA ARG A 89 6.440 1.813 -6.104 1.00 0.00 C ATOM 1411 C ARG A 89 5.656 3.082 -6.407 1.00 0.00 C ATOM 1412 O ARG A 89 4.524 3.249 -5.999 1.00 0.00 O ATOM 1413 CB ARG A 89 7.471 2.076 -5.000 1.00 0.00 C ATOM 1414 CG ARG A 89 8.767 1.275 -5.274 1.00 0.00 C ATOM 1415 CD ARG A 89 8.435 -0.211 -5.464 1.00 0.00 C ATOM 1416 NE ARG A 89 9.666 -0.966 -5.602 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.660 -2.266 -5.470 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.545 -2.896 -5.209 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.771 -2.937 -5.600 1.00 0.00 N ATOM 0 H ARG A 89 8.139 1.382 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 89 5.767 1.025 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.697 3.141 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.058 1.792 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.262 1.662 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.462 1.397 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.863 -0.579 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.812 -0.346 -6.348 1.00 0.00 H new ATOM 0 HE ARG A 89 10.540 -0.480 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.675 -2.373 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.545 -3.911 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.642 -2.447 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.769 -3.952 -5.497 1.00 0.00 H new ATOM 1433 N ASP A 90 6.271 3.968 -7.145 1.00 0.00 N ATOM 1434 CA ASP A 90 5.608 5.205 -7.518 1.00 0.00 C ATOM 1435 C ASP A 90 4.155 4.868 -7.871 1.00 0.00 C ATOM 1436 O ASP A 90 3.225 5.362 -7.263 1.00 0.00 O ATOM 1437 CB ASP A 90 6.307 5.824 -8.730 1.00 0.00 C ATOM 1438 CG ASP A 90 6.242 7.349 -8.634 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.220 7.852 -8.197 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.214 7.988 -9.000 1.00 0.00 O ATOM 0 H ASP A 90 7.221 3.865 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 90 5.645 5.921 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.346 5.496 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.830 5.486 -9.650 1.00 0.00 H new ATOM 1445 N ALA A 91 3.958 4.015 -8.841 1.00 0.00 N ATOM 1446 CA ALA A 91 2.613 3.633 -9.218 1.00 0.00 C ATOM 1447 C ALA A 91 1.912 2.952 -8.032 1.00 0.00 C ATOM 1448 O ALA A 91 0.728 3.141 -7.817 1.00 0.00 O ATOM 1449 CB ALA A 91 2.674 2.665 -10.400 1.00 0.00 C ATOM 0 H ALA A 91 4.700 3.572 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 91 2.051 4.523 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.663 2.376 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.165 3.151 -11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.238 1.777 -10.114 1.00 0.00 H new ATOM 1455 N VAL A 92 2.628 2.181 -7.240 1.00 0.00 N ATOM 1456 CA VAL A 92 1.977 1.549 -6.095 1.00 0.00 C ATOM 1457 C VAL A 92 1.206 2.637 -5.351 1.00 0.00 C ATOM 1458 O VAL A 92 -0.015 2.663 -5.328 1.00 0.00 O ATOM 1459 CB VAL A 92 2.998 0.931 -5.136 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.299 0.604 -3.818 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.565 -0.361 -5.719 1.00 0.00 C ATOM 0 H VAL A 92 3.621 1.978 -7.353 1.00 0.00 H new ATOM 0 HA VAL A 92 1.324 0.752 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 92 3.811 1.640 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.016 0.163 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.892 1.518 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.489 -0.103 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.289 -0.787 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.756 -1.073 -5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.056 -0.147 -6.669 1.00 0.00 H new ATOM 1471 N LYS A 93 1.918 3.558 -4.763 1.00 0.00 N ATOM 1472 CA LYS A 93 1.255 4.637 -4.073 1.00 0.00 C ATOM 1473 C LYS A 93 0.205 5.199 -5.033 1.00 0.00 C ATOM 1474 O LYS A 93 -0.956 5.365 -4.690 1.00 0.00 O ATOM 1475 CB LYS A 93 2.281 5.715 -3.702 1.00 0.00 C ATOM 1476 CG LYS A 93 1.579 7.065 -3.528 1.00 0.00 C ATOM 1477 CD LYS A 93 2.223 7.838 -2.377 1.00 0.00 C ATOM 1478 CE LYS A 93 2.982 9.043 -2.937 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.147 9.727 -3.963 1.00 0.00 N ATOM 0 H LYS A 93 2.937 3.588 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 93 0.784 4.294 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.793 5.440 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.042 5.788 -4.479 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.648 7.643 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.519 6.911 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.459 8.170 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.904 7.190 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.228 9.736 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.925 8.719 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.374 10.742 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.342 9.317 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.141 9.600 -3.732 1.00 0.00 H new ATOM 1493 N ASP A 94 0.621 5.464 -6.252 1.00 0.00 N ATOM 1494 CA ASP A 94 -0.284 5.984 -7.261 1.00 0.00 C ATOM 1495 C ASP A 94 -1.595 5.205 -7.228 1.00 0.00 C ATOM 1496 O ASP A 94 -2.636 5.718 -7.589 1.00 0.00 O ATOM 1497 CB ASP A 94 0.353 5.843 -8.644 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.252 6.878 -9.593 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.705 7.903 -9.110 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.252 6.629 -10.788 1.00 0.00 O ATOM 0 H ASP A 94 1.580 5.329 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.482 7.036 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.432 5.984 -8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.187 4.838 -9.032 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.575 3.992 -6.748 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.815 3.255 -6.649 1.00 0.00 C ATOM 1507 C LEU A 95 -3.484 3.720 -5.367 1.00 0.00 C ATOM 1508 O LEU A 95 -4.641 4.080 -5.352 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.546 1.753 -6.570 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.421 1.366 -7.529 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.480 -0.139 -7.775 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.590 2.102 -8.862 1.00 0.00 C ATOM 0 H LEU A 95 -0.742 3.499 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.442 3.432 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.275 1.478 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.452 1.201 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.461 1.640 -7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.681 -0.428 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.357 -0.667 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.444 -0.399 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.783 1.819 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.548 1.833 -9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.559 3.178 -8.690 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.739 3.707 -4.293 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.262 4.141 -3.003 1.00 0.00 C ATOM 1526 C LEU A 96 -4.194 5.348 -3.185 1.00 0.00 C ATOM 1527 O LEU A 96 -5.374 5.293 -2.901 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.088 4.562 -2.114 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.183 3.362 -1.787 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.553 3.573 -0.414 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.994 2.062 -1.774 1.00 0.00 C ATOM 0 H LEU A 96 -1.766 3.402 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.819 3.321 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.506 5.334 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.466 4.999 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.409 3.285 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.090 2.726 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.040 4.488 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.338 3.656 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.336 1.225 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.777 2.129 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.447 1.906 -2.753 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.656 6.441 -3.649 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.477 7.640 -3.842 1.00 0.00 C ATOM 1545 C GLN A 97 -5.514 7.396 -4.941 1.00 0.00 C ATOM 1546 O GLN A 97 -6.358 8.228 -5.210 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.605 8.833 -4.230 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.478 8.975 -3.216 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.162 8.538 -3.852 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.108 8.991 -3.457 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -1.177 7.673 -4.830 1.00 0.00 N ATOM 0 H GLN A 97 -2.673 6.543 -3.901 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.984 7.860 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.196 8.690 -5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.204 9.744 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.406 10.009 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.688 8.367 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.064 7.293 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.302 7.377 -5.263 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.462 6.260 -5.568 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.411 5.947 -6.609 1.00 0.00 C ATOM 1562 C GLN A 98 -7.646 5.279 -5.982 1.00 0.00 C ATOM 1563 O GLN A 98 -8.763 5.505 -6.402 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.741 5.007 -7.606 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.435 5.124 -8.964 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.512 3.744 -9.622 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -6.872 2.713 -8.907 1.00 0.00 O flip ATOM 1568 NE2 GLN A 98 -6.243 3.604 -10.798 1.00 0.00 N flip ATOM 0 H GLN A 98 -4.775 5.530 -5.382 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.730 6.852 -7.125 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.684 5.256 -7.703 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.794 3.980 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.437 5.534 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.887 5.814 -9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.962 4.410 -11.356 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.298 2.680 -11.227 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.456 4.476 -4.961 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.599 3.836 -4.309 1.00 0.00 C ATOM 1579 C LEU A 99 -9.113 4.769 -3.214 1.00 0.00 C ATOM 1580 O LEU A 99 -10.251 4.711 -2.809 1.00 0.00 O ATOM 1581 CB LEU A 99 -8.189 2.513 -3.642 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.860 2.024 -4.193 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.773 2.458 -3.230 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.870 0.498 -4.297 1.00 0.00 C ATOM 0 H LEU A 99 -6.545 4.247 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.360 3.635 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.112 2.652 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.958 1.760 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.685 2.440 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.804 2.121 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.772 3.545 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.960 2.021 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.914 0.154 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.030 0.067 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.673 0.184 -4.964 1.00 0.00 H new ATOM 1596 N LEU A 100 -8.256 5.601 -2.707 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.645 6.499 -1.641 1.00 0.00 C ATOM 1598 C LEU A 100 -10.008 7.115 -1.988 1.00 0.00 C ATOM 1599 O LEU A 100 -10.788 7.446 -1.118 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.571 7.592 -1.485 1.00 0.00 C ATOM 1601 CG LEU A 100 -8.196 8.905 -0.995 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -8.955 8.659 0.309 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -7.090 9.935 -0.754 1.00 0.00 C ATOM 0 H LEU A 100 -7.284 5.684 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.731 5.962 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.809 7.261 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.071 7.756 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.888 9.280 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.398 9.593 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.743 7.925 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.266 8.283 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.532 10.869 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.399 9.557 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.550 10.114 -1.684 1.00 0.00 H new ATOM 1615 N PRO A 101 -10.239 7.230 -3.265 1.00 0.00 N ATOM 1616 CA PRO A 101 -11.521 7.794 -3.737 1.00 0.00 C ATOM 1617 C PRO A 101 -12.683 6.787 -3.631 1.00 0.00 C ATOM 1618 O PRO A 101 -13.818 7.116 -3.915 1.00 0.00 O ATOM 1619 CB PRO A 101 -11.239 8.140 -5.197 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.725 8.345 -5.324 1.00 0.00 C ATOM 1621 CD PRO A 101 -9.096 7.634 -4.129 1.00 0.00 C ATOM 0 HA PRO A 101 -11.836 8.648 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.576 7.339 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.776 9.042 -5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.354 7.932 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.474 9.406 -5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.518 6.766 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.413 8.294 -3.594 1.00 0.00 H new ATOM 1629 N LYS A 102 -12.419 5.567 -3.247 1.00 0.00 N ATOM 1630 CA LYS A 102 -13.493 4.584 -3.153 1.00 0.00 C ATOM 1631 C LYS A 102 -14.175 4.641 -1.794 1.00 0.00 C ATOM 1632 O LYS A 102 -15.383 4.569 -1.685 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.928 3.173 -3.279 1.00 0.00 C ATOM 1634 CG LYS A 102 -11.984 3.070 -4.470 1.00 0.00 C ATOM 1635 CD LYS A 102 -11.873 1.608 -4.902 1.00 0.00 C ATOM 1636 CE LYS A 102 -12.133 1.495 -6.405 1.00 0.00 C ATOM 1637 NZ LYS A 102 -12.690 0.148 -6.712 1.00 0.00 N ATOM 0 H LYS A 102 -11.492 5.223 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.198 4.813 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.397 2.907 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.744 2.459 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.354 3.678 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.001 3.458 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.881 1.223 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.591 1.000 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.830 2.270 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.207 1.652 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.867 0.070 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.010 -0.583 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.583 0.015 -6.195 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.404 4.713 -0.754 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.976 4.708 0.567 1.00 0.00 C ATOM 1653 C PHE A 103 -13.921 6.111 1.156 1.00 0.00 C ATOM 1654 O PHE A 103 -14.318 6.328 2.279 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.187 3.745 1.473 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.702 3.891 1.202 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.129 3.329 0.049 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.898 4.598 2.104 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.763 3.481 -0.201 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.528 4.746 1.855 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.960 4.190 0.702 1.00 0.00 C ATOM 0 H PHE A 103 -12.386 4.776 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.013 4.380 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.398 3.960 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.501 2.718 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.746 2.778 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.335 5.030 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.326 3.052 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.909 5.290 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.904 4.308 0.509 1.00 0.00 H new