USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 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 16 ASN : amide:sc= 0.941 K(o=3.4,f=-7.6!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 131:sc= 2.42 (180deg=0.452) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 173:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 71:sc= 1.02 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 20 ASN : amide:sc= -0.529 X(o=-0.53,f=-0.53) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 176:sc= -2.4! (180deg=-2.55!) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 0.53 (180deg=0.29) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.78 K(o=0.78,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0347) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -38:sc= 0.775 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.1 K(o=1.1,f=-0.054) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.384 K(o=0.38,f=-4.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 173:sc= -0.71 (180deg=-0.855) USER MOD Single : A 69 ASN : amide:sc= -1.04! K(o=-1!,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -0.368 X(o=-0.37,f=-0.58) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.89 (180deg=1.8) USER MOD Single : A 82 GLN : amide:sc= -0.0422 K(o=-0.042,f=-0.87) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.882 6.291 7.090 1.00 0.00 N ATOM 112 CA LYS A 9 10.825 7.680 6.607 1.00 0.00 C ATOM 113 C LYS A 9 9.744 7.804 5.528 1.00 0.00 C ATOM 114 O LYS A 9 9.609 6.926 4.675 1.00 0.00 O ATOM 115 CB LYS A 9 12.237 8.061 6.132 1.00 0.00 C ATOM 116 CG LYS A 9 12.486 9.567 5.952 1.00 0.00 C ATOM 117 CD LYS A 9 13.957 9.765 5.539 1.00 0.00 C ATOM 118 CE LYS A 9 14.402 11.233 5.540 1.00 0.00 C ATOM 119 NZ LYS A 9 15.106 11.608 6.792 1.00 0.00 N ATOM 0 HA LYS A 9 10.538 8.383 7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.961 7.673 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.430 7.562 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.819 9.974 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.276 10.101 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.596 9.200 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.105 9.350 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.059 11.412 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.530 11.875 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.491 12.570 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.438 11.577 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.884 10.940 6.967 1.00 0.00 H new ATOM 133 N LEU A 10 8.944 8.861 5.626 1.00 0.00 N ATOM 134 CA LEU A 10 7.707 8.997 4.838 1.00 0.00 C ATOM 135 C LEU A 10 7.720 10.184 3.884 1.00 0.00 C ATOM 136 O LEU A 10 8.225 11.231 4.262 1.00 0.00 O ATOM 137 CB LEU A 10 6.525 9.208 5.794 1.00 0.00 C ATOM 138 CG LEU A 10 5.767 7.936 6.097 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.577 6.891 6.814 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.438 8.201 6.811 1.00 0.00 C ATOM 0 H LEU A 10 9.127 9.648 6.248 1.00 0.00 H new ATOM 0 HA LEU A 10 7.620 8.084 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.893 9.635 6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.840 9.936 5.359 1.00 0.00 H new ATOM 0 HG LEU A 10 5.540 7.514 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.959 6.011 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.435 6.613 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.924 7.290 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.934 7.254 7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.628 8.711 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.805 8.826 6.181 1.00 0.00 H new ATOM 152 N PHE A 11 7.078 10.041 2.724 1.00 0.00 N ATOM 153 CA PHE A 11 6.798 11.120 1.771 1.00 0.00 C ATOM 154 C PHE A 11 5.312 11.497 1.893 1.00 0.00 C ATOM 155 O PHE A 11 4.435 10.639 1.755 1.00 0.00 O ATOM 156 CB PHE A 11 7.064 10.611 0.340 1.00 0.00 C ATOM 157 CG PHE A 11 6.544 11.451 -0.828 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.495 12.863 -0.795 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.107 10.784 -1.991 1.00 0.00 C ATOM 160 CE1 PHE A 11 6.026 13.583 -1.908 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.663 11.507 -3.112 1.00 0.00 C ATOM 162 CZ PHE A 11 5.644 12.908 -3.077 1.00 0.00 C ATOM 0 H PHE A 11 6.725 9.137 2.409 1.00 0.00 H new ATOM 0 HA PHE A 11 7.431 11.982 1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.142 10.502 0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.631 9.614 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.819 13.392 0.089 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.113 9.704 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.960 14.660 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.337 10.984 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.336 13.467 -3.948 1.00 0.00 H new ATOM 172 N ILE A 12 5.058 12.789 2.139 1.00 0.00 N ATOM 173 CA ILE A 12 3.712 13.333 2.131 1.00 0.00 C ATOM 174 C ILE A 12 3.692 14.308 0.981 1.00 0.00 C ATOM 175 O ILE A 12 4.608 15.119 0.776 1.00 0.00 O ATOM 176 CB ILE A 12 3.335 14.031 3.449 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.546 13.091 4.367 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.418 15.256 3.291 1.00 0.00 C ATOM 179 CD1 ILE A 12 3.169 11.728 4.631 1.00 0.00 C ATOM 0 H ILE A 12 5.783 13.476 2.347 1.00 0.00 H new ATOM 0 HA ILE A 12 2.977 12.536 2.022 1.00 0.00 H new ATOM 0 HB ILE A 12 4.302 14.333 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.399 13.591 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.558 12.937 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.207 15.681 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.913 16.003 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.484 14.953 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.521 11.154 5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.290 11.194 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.143 11.858 5.102 1.00 0.00 H new ATOM 191 N GLY A 13 2.607 14.191 0.242 1.00 0.00 N ATOM 192 CA GLY A 13 2.362 14.929 -0.945 1.00 0.00 C ATOM 193 C GLY A 13 1.186 15.846 -0.753 1.00 0.00 C ATOM 194 O GLY A 13 0.048 15.436 -0.497 1.00 0.00 O ATOM 0 H GLY A 13 1.851 13.548 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.246 15.510 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.169 14.247 -1.773 1.00 0.00 H new ATOM 198 N GLY A 14 1.590 17.100 -0.912 1.00 0.00 N ATOM 199 CA GLY A 14 0.678 18.218 -0.936 1.00 0.00 C ATOM 200 C GLY A 14 1.440 19.478 -0.762 1.00 0.00 C ATOM 201 O GLY A 14 2.102 19.883 -1.709 1.00 0.00 O ATOM 0 H GLY A 14 2.569 17.363 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.133 18.237 -1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.062 18.115 -0.143 1.00 0.00 H new ATOM 205 N LEU A 15 1.367 20.031 0.437 1.00 0.00 N ATOM 206 CA LEU A 15 2.197 21.218 0.798 1.00 0.00 C ATOM 207 C LEU A 15 2.080 22.477 -0.089 1.00 0.00 C ATOM 208 O LEU A 15 2.676 23.522 0.156 1.00 0.00 O ATOM 209 CB LEU A 15 3.662 20.776 0.706 1.00 0.00 C ATOM 210 CG LEU A 15 4.161 19.607 1.547 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.612 19.699 2.948 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.702 18.289 0.948 1.00 0.00 C ATOM 0 H LEU A 15 0.757 19.698 1.183 1.00 0.00 H new ATOM 0 HA LEU A 15 1.834 21.519 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.862 20.533 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.277 21.640 0.955 1.00 0.00 H new ATOM 0 HG LEU A 15 5.250 19.651 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.976 18.858 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.939 20.632 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.523 19.674 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.067 17.464 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.613 18.263 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.097 18.192 -0.063 1.00 0.00 H new ATOM 224 N ASN A 16 1.238 22.329 -1.086 1.00 0.00 N ATOM 225 CA ASN A 16 0.920 22.998 -2.322 1.00 0.00 C ATOM 226 C ASN A 16 0.832 24.519 -2.309 1.00 0.00 C ATOM 227 O ASN A 16 -0.191 25.110 -2.654 1.00 0.00 O ATOM 228 CB ASN A 16 -0.341 22.235 -2.704 1.00 0.00 C ATOM 229 CG ASN A 16 -0.851 22.579 -4.097 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.954 23.061 -4.290 1.00 0.00 O ATOM 231 ND2 ASN A 16 -0.056 22.380 -5.116 1.00 0.00 N ATOM 0 H ASN A 16 0.608 21.530 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 16 1.720 22.958 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.140 21.165 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.122 22.449 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.362 22.627 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.870 21.977 -4.970 1.00 0.00 H new ATOM 238 N ARG A 17 1.934 25.159 -1.911 1.00 0.00 N ATOM 239 CA ARG A 17 1.990 26.578 -1.543 1.00 0.00 C ATOM 240 C ARG A 17 0.932 26.895 -0.457 1.00 0.00 C ATOM 241 O ARG A 17 0.458 28.022 -0.330 1.00 0.00 O ATOM 242 CB ARG A 17 1.951 27.504 -2.776 1.00 0.00 C ATOM 243 CG ARG A 17 2.803 27.092 -3.988 1.00 0.00 C ATOM 244 CD ARG A 17 2.268 25.944 -4.875 1.00 0.00 C ATOM 245 NE ARG A 17 0.815 26.032 -5.124 1.00 0.00 N ATOM 246 CZ ARG A 17 0.171 26.034 -6.276 1.00 0.00 C ATOM 247 NH1 ARG A 17 0.755 25.795 -7.416 1.00 0.00 N ATOM 248 NH2 ARG A 17 -1.105 26.286 -6.298 1.00 0.00 N ATOM 0 H ARG A 17 2.838 24.693 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 17 2.959 26.789 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.915 27.588 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.268 28.499 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.939 27.970 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.790 26.805 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.795 25.954 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.491 24.990 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 17 0.229 26.101 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.755 25.595 -7.445 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.212 25.808 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.602 26.480 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.609 26.289 -7.185 1.00 0.00 H new ATOM 262 N GLU A 18 0.555 25.860 0.307 1.00 0.00 N ATOM 263 CA GLU A 18 -0.548 25.806 1.267 1.00 0.00 C ATOM 264 C GLU A 18 -0.031 25.451 2.653 1.00 0.00 C ATOM 265 O GLU A 18 -0.135 26.264 3.573 1.00 0.00 O ATOM 266 CB GLU A 18 -1.540 24.713 0.892 1.00 0.00 C ATOM 267 CG GLU A 18 -2.452 24.993 -0.285 1.00 0.00 C ATOM 268 CD GLU A 18 -2.773 26.453 -0.667 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.178 27.255 0.208 1.00 0.00 O ATOM 270 OE2 GLU A 18 -2.756 26.757 -1.884 1.00 0.00 O ATOM 0 H GLU A 18 1.055 24.972 0.264 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.023 26.787 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.979 23.804 0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.163 24.506 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.011 24.516 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.399 24.490 -0.091 1.00 0.00 H new ATOM 277 N THR A 19 0.528 24.234 2.784 1.00 0.00 N ATOM 278 CA THR A 19 0.835 23.693 4.140 1.00 0.00 C ATOM 279 C THR A 19 2.314 23.454 4.493 1.00 0.00 C ATOM 280 O THR A 19 3.182 23.531 3.622 1.00 0.00 O ATOM 281 CB THR A 19 -0.115 22.556 4.513 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.292 22.562 5.910 1.00 0.00 O ATOM 283 CG2 THR A 19 0.338 21.168 4.089 1.00 0.00 C ATOM 0 H THR A 19 0.772 23.620 2.007 1.00 0.00 H new ATOM 0 HA THR A 19 0.629 24.524 4.814 1.00 0.00 H new ATOM 0 HB THR A 19 -1.039 22.747 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.901 21.838 6.166 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.404 20.432 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.448 21.137 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.295 20.939 4.558 1.00 0.00 H new ATOM 291 N ASN A 20 2.600 23.196 5.785 1.00 0.00 N ATOM 292 CA ASN A 20 3.982 23.255 6.319 1.00 0.00 C ATOM 293 C ASN A 20 4.208 22.358 7.554 1.00 0.00 C ATOM 294 O ASN A 20 3.396 21.492 7.867 1.00 0.00 O ATOM 295 CB ASN A 20 4.348 24.723 6.680 1.00 0.00 C ATOM 296 CG ASN A 20 4.215 25.734 5.549 1.00 0.00 C ATOM 297 OD1 ASN A 20 5.095 25.883 4.713 1.00 0.00 O ATOM 298 ND2 ASN A 20 3.138 26.489 5.509 1.00 0.00 N ATOM 0 H ASN A 20 1.896 22.945 6.479 1.00 0.00 H new ATOM 0 HA ASN A 20 4.629 22.875 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.713 25.044 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.376 24.743 7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.038 27.197 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.403 26.366 6.205 1.00 0.00 H new ATOM 305 N GLU A 21 5.330 22.520 8.269 1.00 0.00 N ATOM 306 CA GLU A 21 5.682 21.633 9.398 1.00 0.00 C ATOM 307 C GLU A 21 4.613 21.500 10.524 1.00 0.00 C ATOM 308 O GLU A 21 4.548 20.496 11.258 1.00 0.00 O ATOM 309 CB GLU A 21 7.103 21.947 9.851 1.00 0.00 C ATOM 310 CG GLU A 21 7.592 21.218 11.102 1.00 0.00 C ATOM 311 CD GLU A 21 8.930 21.791 11.610 1.00 0.00 C ATOM 312 OE1 GLU A 21 9.963 21.658 10.912 1.00 0.00 O ATOM 313 OE2 GLU A 21 8.955 22.388 12.715 1.00 0.00 O ATOM 0 H GLU A 21 6.013 23.256 8.089 1.00 0.00 H new ATOM 0 HA GLU A 21 5.670 20.606 9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.783 21.714 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.176 23.020 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.840 21.298 11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.711 20.157 10.882 1.00 0.00 H new ATOM 320 N LYS A 22 3.709 22.490 10.584 1.00 0.00 N ATOM 321 CA LYS A 22 2.450 22.347 11.316 1.00 0.00 C ATOM 322 C LYS A 22 1.771 21.045 10.883 1.00 0.00 C ATOM 323 O LYS A 22 1.557 20.163 11.714 1.00 0.00 O ATOM 324 CB LYS A 22 1.555 23.551 11.009 1.00 0.00 C ATOM 325 CG LYS A 22 0.180 23.375 11.669 1.00 0.00 C ATOM 326 CD LYS A 22 0.142 23.584 13.188 1.00 0.00 C ATOM 327 CE LYS A 22 0.432 25.029 13.594 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.721 25.937 13.346 1.00 0.00 N ATOM 0 H LYS A 22 3.830 23.397 10.133 1.00 0.00 H new ATOM 0 HA LYS A 22 2.633 22.310 12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.026 24.465 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.437 23.660 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.517 24.074 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.183 22.371 11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.839 23.295 13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.872 22.925 13.659 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.692 25.060 14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.299 25.390 13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.471 26.903 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.955 25.932 12.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.543 25.611 13.893 1.00 0.00 H new ATOM 342 N MET A 23 1.477 20.946 9.576 1.00 0.00 N ATOM 343 CA MET A 23 0.942 19.718 9.035 1.00 0.00 C ATOM 344 C MET A 23 1.845 18.534 9.335 1.00 0.00 C ATOM 345 O MET A 23 1.412 17.395 9.380 1.00 0.00 O ATOM 346 CB MET A 23 0.787 19.819 7.536 1.00 0.00 C ATOM 347 CG MET A 23 1.798 19.072 6.732 1.00 0.00 C ATOM 348 SD MET A 23 1.654 17.336 6.315 1.00 0.00 S ATOM 349 CE MET A 23 0.557 17.644 4.920 1.00 0.00 C ATOM 0 H MET A 23 1.603 21.696 8.897 1.00 0.00 H new ATOM 0 HA MET A 23 -0.028 19.563 9.508 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.205 19.457 7.266 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.830 20.871 7.254 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.892 19.606 5.787 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.747 19.182 7.256 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.349 16.705 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.377 18.075 5.280 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.034 18.338 4.228 1.00 0.00 H new ATOM 359 N LEU A 24 3.151 18.771 9.293 1.00 0.00 N ATOM 360 CA LEU A 24 4.080 17.668 9.429 1.00 0.00 C ATOM 361 C LEU A 24 3.831 16.886 10.714 1.00 0.00 C ATOM 362 O LEU A 24 3.308 15.761 10.706 1.00 0.00 O ATOM 363 CB LEU A 24 5.507 18.177 9.309 1.00 0.00 C ATOM 364 CG LEU A 24 6.007 18.426 7.888 1.00 0.00 C ATOM 365 CD1 LEU A 24 6.319 17.125 7.313 1.00 0.00 C ATOM 366 CD2 LEU A 24 5.149 18.981 6.780 1.00 0.00 C ATOM 0 H LEU A 24 3.576 19.690 9.170 1.00 0.00 H new ATOM 0 HA LEU A 24 3.917 16.960 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.589 19.107 9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.171 17.456 9.786 1.00 0.00 H new ATOM 0 HG LEU A 24 6.759 19.184 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.682 17.255 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.088 16.637 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.421 16.507 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.740 19.063 5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.304 18.315 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.782 19.967 7.064 1.00 0.00 H new ATOM 378 N LYS A 25 4.115 17.513 11.857 1.00 0.00 N ATOM 379 CA LYS A 25 3.786 16.909 13.146 1.00 0.00 C ATOM 380 C LYS A 25 2.317 16.543 13.255 1.00 0.00 C ATOM 381 O LYS A 25 2.019 15.516 13.854 1.00 0.00 O ATOM 382 CB LYS A 25 4.228 17.803 14.277 1.00 0.00 C ATOM 383 CG LYS A 25 5.780 17.823 14.301 1.00 0.00 C ATOM 384 CD LYS A 25 6.410 17.128 15.513 1.00 0.00 C ATOM 385 CE LYS A 25 6.560 15.596 15.385 1.00 0.00 C ATOM 386 NZ LYS A 25 6.883 14.968 16.699 1.00 0.00 N ATOM 0 H LYS A 25 4.566 18.426 11.916 1.00 0.00 H new ATOM 0 HA LYS A 25 4.337 15.971 13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.837 18.811 14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.838 17.436 15.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.150 17.347 13.393 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.117 18.859 14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.395 17.560 15.689 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.804 17.346 16.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.636 15.170 14.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.347 15.365 14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.649 13.955 16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.897 15.083 16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.329 15.428 17.449 1.00 0.00 H new ATOM 400 N ALA A 26 1.439 17.314 12.612 1.00 0.00 N ATOM 401 CA ALA A 26 0.038 16.955 12.490 1.00 0.00 C ATOM 402 C ALA A 26 -0.185 15.540 11.887 1.00 0.00 C ATOM 403 O ALA A 26 -0.325 14.527 12.580 1.00 0.00 O ATOM 404 CB ALA A 26 -0.667 18.036 11.626 1.00 0.00 C ATOM 0 H ALA A 26 1.683 18.198 12.166 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.390 16.917 13.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.723 17.786 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.571 19.008 12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.203 18.073 10.640 1.00 0.00 H new ATOM 410 N VAL A 27 -0.159 15.514 10.554 1.00 0.00 N ATOM 411 CA VAL A 27 -0.519 14.333 9.760 1.00 0.00 C ATOM 412 C VAL A 27 0.226 13.123 10.232 1.00 0.00 C ATOM 413 O VAL A 27 -0.340 12.056 10.454 1.00 0.00 O ATOM 414 CB VAL A 27 -0.087 14.624 8.302 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.005 13.518 7.255 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.005 15.649 7.722 1.00 0.00 C ATOM 0 H VAL A 27 0.114 16.317 9.988 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.588 14.140 9.850 1.00 0.00 H new ATOM 0 HB VAL A 27 0.953 14.905 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.317 13.941 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.712 12.763 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.986 13.058 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.710 15.862 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.027 15.271 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.949 16.563 8.313 1.00 0.00 H new ATOM 426 N PHE A 28 1.532 13.300 10.326 1.00 0.00 N ATOM 427 CA PHE A 28 2.387 12.221 10.714 1.00 0.00 C ATOM 428 C PHE A 28 2.271 11.840 12.181 1.00 0.00 C ATOM 429 O PHE A 28 2.071 10.672 12.517 1.00 0.00 O ATOM 430 CB PHE A 28 3.788 12.579 10.257 1.00 0.00 C ATOM 431 CG PHE A 28 4.045 12.845 8.768 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.720 14.080 8.161 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.823 11.934 8.033 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.257 14.441 6.920 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.429 12.336 6.830 1.00 0.00 C ATOM 436 CZ PHE A 28 5.191 13.608 6.301 1.00 0.00 C ATOM 0 H PHE A 28 2.011 14.181 10.137 1.00 0.00 H new ATOM 0 HA PHE A 28 2.075 11.298 10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.095 13.469 10.807 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.450 11.770 10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.045 14.757 8.664 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.955 10.924 8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.950 15.360 6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.085 11.655 6.309 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.724 13.943 5.423 1.00 0.00 H new ATOM 446 N GLY A 29 2.439 12.817 13.070 1.00 0.00 N ATOM 447 CA GLY A 29 2.249 12.549 14.490 1.00 0.00 C ATOM 448 C GLY A 29 0.906 11.975 14.891 1.00 0.00 C ATOM 449 O GLY A 29 0.785 11.490 16.019 1.00 0.00 O ATOM 0 H GLY A 29 2.699 13.776 12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.027 11.858 14.815 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.400 13.480 15.037 1.00 0.00 H new ATOM 453 N LYS A 30 -0.109 12.031 14.013 1.00 0.00 N ATOM 454 CA LYS A 30 -1.445 11.484 14.340 1.00 0.00 C ATOM 455 C LYS A 30 -1.389 10.045 14.848 1.00 0.00 C ATOM 456 O LYS A 30 -2.091 9.672 15.791 1.00 0.00 O ATOM 457 CB LYS A 30 -2.392 11.567 13.147 1.00 0.00 C ATOM 458 CG LYS A 30 -3.038 12.931 13.271 1.00 0.00 C ATOM 459 CD LYS A 30 -3.846 13.402 12.068 1.00 0.00 C ATOM 460 CE LYS A 30 -4.027 14.915 12.206 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.060 15.280 13.214 1.00 0.00 N ATOM 0 H LYS A 30 -0.037 12.443 13.083 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.828 12.108 15.147 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.853 11.467 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.136 10.771 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.693 12.922 14.142 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.256 13.664 13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.329 13.160 11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.813 12.901 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.076 15.367 12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.305 15.333 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.142 16.315 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.976 14.874 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.784 14.906 14.145 1.00 0.00 H new ATOM 475 N HIS A 31 -0.497 9.290 14.217 1.00 0.00 N ATOM 476 CA HIS A 31 -0.234 7.894 14.599 1.00 0.00 C ATOM 477 C HIS A 31 1.254 7.498 14.802 1.00 0.00 C ATOM 478 O HIS A 31 1.549 6.300 14.814 1.00 0.00 O ATOM 479 CB HIS A 31 -1.012 6.966 13.635 1.00 0.00 C ATOM 480 CG HIS A 31 -2.319 6.448 14.190 1.00 0.00 C ATOM 481 ND1 HIS A 31 -3.145 7.086 15.089 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.919 5.260 13.872 1.00 0.00 C ATOM 483 CE1 HIS A 31 -4.214 6.304 15.311 1.00 0.00 C ATOM 484 NE2 HIS A 31 -4.120 5.169 14.593 1.00 0.00 N ATOM 0 H HIS A 31 0.064 9.618 13.431 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.608 7.766 15.615 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.212 7.508 12.711 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.379 6.117 13.376 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.974 7.997 15.514 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.535 4.520 13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -5.032 6.550 15.971 1.00 0.00 H new ATOM 492 N GLY A 32 2.207 8.418 15.040 1.00 0.00 N ATOM 493 CA GLY A 32 3.555 8.035 15.452 1.00 0.00 C ATOM 494 C GLY A 32 4.307 9.100 16.267 1.00 0.00 C ATOM 495 O GLY A 32 3.785 10.190 16.511 1.00 0.00 O ATOM 0 H GLY A 32 2.062 9.424 14.953 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.493 7.122 16.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.139 7.800 14.562 1.00 0.00 H new ATOM 499 N PRO A 33 5.540 8.780 16.697 1.00 0.00 N ATOM 500 CA PRO A 33 6.410 9.651 17.477 1.00 0.00 C ATOM 501 C PRO A 33 7.010 10.818 16.664 1.00 0.00 C ATOM 502 O PRO A 33 6.662 11.976 16.910 1.00 0.00 O ATOM 503 CB PRO A 33 7.497 8.711 18.031 1.00 0.00 C ATOM 504 CG PRO A 33 7.559 7.553 17.026 1.00 0.00 C ATOM 505 CD PRO A 33 6.110 7.460 16.559 1.00 0.00 C ATOM 0 HA PRO A 33 5.852 10.158 18.264 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.458 9.219 18.109 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.242 8.356 19.029 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.240 7.764 16.202 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.898 6.627 17.491 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.059 7.123 15.524 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.557 6.736 17.157 1.00 0.00 H new ATOM 513 N ILE A 34 7.954 10.500 15.756 1.00 0.00 N ATOM 514 CA ILE A 34 8.559 11.493 14.847 1.00 0.00 C ATOM 515 C ILE A 34 9.786 12.151 15.494 1.00 0.00 C ATOM 516 O ILE A 34 9.634 12.994 16.383 1.00 0.00 O ATOM 517 CB ILE A 34 7.618 12.449 14.084 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.654 11.771 13.110 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.486 13.430 13.279 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.445 11.209 13.840 1.00 0.00 C ATOM 0 H ILE A 34 8.316 9.554 15.633 1.00 0.00 H new ATOM 0 HA ILE A 34 8.904 10.905 13.997 1.00 0.00 H new ATOM 0 HB ILE A 34 7.000 12.932 14.841 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.327 12.489 12.358 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.170 10.969 12.582 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.843 14.118 12.730 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.124 13.994 13.959 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.107 12.874 12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.776 10.733 13.123 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.773 10.474 14.575 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.918 12.017 14.346 1.00 0.00 H new ATOM 532 N SER A 35 10.984 11.759 15.058 1.00 0.00 N ATOM 533 CA SER A 35 12.258 12.309 15.537 1.00 0.00 C ATOM 534 C SER A 35 13.032 13.056 14.447 1.00 0.00 C ATOM 535 O SER A 35 14.112 13.574 14.738 1.00 0.00 O ATOM 536 CB SER A 35 13.097 11.222 16.222 1.00 0.00 C ATOM 537 OG SER A 35 12.657 11.090 17.565 1.00 0.00 O ATOM 0 H SER A 35 11.101 11.036 14.348 1.00 0.00 H new ATOM 0 HA SER A 35 12.024 13.064 16.288 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.992 10.274 15.694 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.154 11.486 16.194 1.00 0.00 H new ATOM 0 HG SER A 35 13.184 10.397 18.015 1.00 0.00 H new ATOM 543 N GLU A 36 12.505 13.183 13.217 1.00 0.00 N ATOM 544 CA GLU A 36 13.082 14.120 12.230 1.00 0.00 C ATOM 545 C GLU A 36 12.051 14.637 11.216 1.00 0.00 C ATOM 546 O GLU A 36 11.158 13.891 10.816 1.00 0.00 O ATOM 547 CB GLU A 36 14.316 13.516 11.518 1.00 0.00 C ATOM 548 CG GLU A 36 15.605 14.330 11.711 1.00 0.00 C ATOM 549 CD GLU A 36 15.552 15.705 11.018 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.887 16.626 11.551 1.00 0.00 O ATOM 551 OE2 GLU A 36 16.176 15.870 9.942 1.00 0.00 O ATOM 0 H GLU A 36 11.695 12.660 12.884 1.00 0.00 H new ATOM 0 HA GLU A 36 13.415 14.987 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.478 12.504 11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.105 13.435 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.783 14.472 12.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.449 13.763 11.319 1.00 0.00 H new ATOM 558 N VAL A 37 12.164 15.905 10.800 1.00 0.00 N ATOM 559 CA VAL A 37 11.157 16.609 9.980 1.00 0.00 C ATOM 560 C VAL A 37 11.775 17.406 8.820 1.00 0.00 C ATOM 561 O VAL A 37 12.711 18.184 9.014 1.00 0.00 O ATOM 562 CB VAL A 37 10.278 17.541 10.842 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.121 18.076 9.987 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.688 16.879 12.100 1.00 0.00 C ATOM 0 H VAL A 37 12.972 16.486 11.026 1.00 0.00 H new ATOM 0 HA VAL A 37 10.534 15.827 9.546 1.00 0.00 H new ATOM 0 HB VAL A 37 10.938 18.337 11.188 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.497 18.735 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.522 18.632 9.139 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.522 17.242 9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.085 17.606 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.063 16.035 11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.497 16.527 12.739 1.00 0.00 H new ATOM 574 N LEU A 38 11.243 17.205 7.608 1.00 0.00 N ATOM 575 CA LEU A 38 11.748 17.717 6.330 1.00 0.00 C ATOM 576 C LEU A 38 10.648 18.298 5.412 1.00 0.00 C ATOM 577 O LEU A 38 9.592 17.692 5.235 1.00 0.00 O ATOM 578 CB LEU A 38 12.478 16.582 5.603 1.00 0.00 C ATOM 579 CG LEU A 38 13.294 17.020 4.380 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.490 17.860 4.776 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.924 15.818 3.703 1.00 0.00 C ATOM 0 H LEU A 38 10.398 16.647 7.487 1.00 0.00 H new ATOM 0 HA LEU A 38 12.420 18.544 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.145 16.087 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.744 15.841 5.286 1.00 0.00 H new ATOM 0 HG LEU A 38 12.595 17.563 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.042 18.151 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.150 18.754 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.140 17.281 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.499 16.148 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.585 15.310 4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.142 15.132 3.379 1.00 0.00 H new ATOM 593 N LEU A 39 10.910 19.456 4.805 1.00 0.00 N ATOM 594 CA LEU A 39 10.111 20.049 3.717 1.00 0.00 C ATOM 595 C LEU A 39 11.063 20.326 2.534 1.00 0.00 C ATOM 596 O LEU A 39 12.164 20.841 2.747 1.00 0.00 O ATOM 597 CB LEU A 39 9.436 21.371 4.138 1.00 0.00 C ATOM 598 CG LEU A 39 8.133 21.395 4.949 1.00 0.00 C ATOM 599 CD1 LEU A 39 6.972 20.800 4.153 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.247 20.722 6.306 1.00 0.00 C ATOM 0 H LEU A 39 11.712 20.032 5.062 1.00 0.00 H new ATOM 0 HA LEU A 39 9.318 19.352 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.174 21.932 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.248 21.933 3.223 1.00 0.00 H new ATOM 0 HG LEU A 39 7.929 22.448 5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.064 20.832 4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.823 21.377 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.200 19.766 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.288 20.778 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.526 19.677 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.008 21.228 6.900 1.00 0.00 H new ATOM 612 N ILE A 40 10.659 19.986 1.304 1.00 0.00 N ATOM 613 CA ILE A 40 11.567 19.999 0.153 1.00 0.00 C ATOM 614 C ILE A 40 11.254 21.201 -0.744 1.00 0.00 C ATOM 615 O ILE A 40 10.067 21.423 -1.040 1.00 0.00 O ATOM 616 CB ILE A 40 11.399 18.695 -0.647 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.625 17.419 0.191 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.310 18.718 -1.884 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.023 17.247 0.776 1.00 0.00 C ATOM 0 H ILE A 40 9.706 19.698 1.081 1.00 0.00 H new ATOM 0 HA ILE A 40 12.595 20.078 0.506 1.00 0.00 H new ATOM 0 HB ILE A 40 10.357 18.652 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.906 17.413 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.404 16.553 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.185 17.792 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.043 19.564 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.349 18.814 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.068 16.318 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.754 17.213 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.248 18.086 1.434 1.00 0.00 H new ATOM 631 N LYS A 41 12.359 21.871 -1.141 1.00 0.00 N ATOM 632 CA LYS A 41 12.324 23.109 -1.947 1.00 0.00 C ATOM 633 C LYS A 41 13.274 22.943 -3.172 1.00 0.00 C ATOM 634 O LYS A 41 13.269 21.896 -3.821 1.00 0.00 O ATOM 635 CB LYS A 41 12.695 24.307 -1.029 1.00 0.00 C ATOM 636 CG LYS A 41 11.920 24.326 0.304 1.00 0.00 C ATOM 637 CD LYS A 41 12.141 25.603 1.125 1.00 0.00 C ATOM 638 CE LYS A 41 11.311 25.545 2.419 1.00 0.00 C ATOM 639 NZ LYS A 41 9.857 25.745 2.159 1.00 0.00 N ATOM 0 H LYS A 41 13.304 21.565 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 41 11.329 23.307 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.764 24.275 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.504 25.237 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.855 24.217 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.219 23.464 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.198 25.712 1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.856 26.476 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.463 24.581 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.664 26.310 3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.347 25.800 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.718 26.628 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.491 24.946 1.603 1.00 0.00 H new ATOM 653 N ASP A 42 14.066 23.967 -3.496 1.00 0.00 N ATOM 654 CA ASP A 42 14.900 24.161 -4.712 1.00 0.00 C ATOM 655 C ASP A 42 15.787 25.400 -4.436 1.00 0.00 C ATOM 656 O ASP A 42 15.291 26.342 -3.831 1.00 0.00 O ATOM 657 CB ASP A 42 14.029 24.363 -5.971 1.00 0.00 C ATOM 658 CG ASP A 42 12.701 25.161 -5.870 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.025 25.165 -4.813 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.334 25.817 -6.872 1.00 0.00 O ATOM 0 H ASP A 42 14.157 24.762 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 42 15.508 23.279 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.649 24.856 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.786 23.374 -6.360 1.00 0.00 H new ATOM 665 N ARG A 43 17.083 25.439 -4.794 1.00 0.00 N ATOM 666 CA ARG A 43 18.146 26.436 -4.431 1.00 0.00 C ATOM 667 C ARG A 43 18.371 26.705 -2.943 1.00 0.00 C ATOM 668 O ARG A 43 19.418 27.268 -2.649 1.00 0.00 O ATOM 669 CB ARG A 43 17.853 27.804 -5.142 1.00 0.00 C ATOM 670 CG ARG A 43 18.206 29.156 -4.454 1.00 0.00 C ATOM 671 CD ARG A 43 17.657 30.458 -5.100 1.00 0.00 C ATOM 672 NE ARG A 43 16.717 31.191 -4.225 1.00 0.00 N ATOM 673 CZ ARG A 43 16.995 31.824 -3.098 1.00 0.00 C ATOM 674 NH1 ARG A 43 18.154 31.779 -2.513 1.00 0.00 N ATOM 675 NH2 ARG A 43 16.099 32.536 -2.491 1.00 0.00 N ATOM 0 H ARG A 43 17.464 24.713 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 43 19.066 25.963 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.376 27.786 -6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.786 27.827 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 43 17.846 29.114 -3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.292 29.236 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.493 31.111 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.154 30.208 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 43 15.742 31.211 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 43 18.911 31.233 -2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.307 32.290 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.160 32.615 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.332 33.017 -1.622 1.00 0.00 H new ATOM 689 N THR A 44 17.517 26.159 -2.068 1.00 0.00 N ATOM 690 CA THR A 44 17.391 26.651 -0.663 1.00 0.00 C ATOM 691 C THR A 44 16.312 27.764 -0.578 1.00 0.00 C ATOM 692 O THR A 44 16.034 28.225 0.527 1.00 0.00 O ATOM 693 CB THR A 44 18.705 27.078 0.037 1.00 0.00 C ATOM 694 OG1 THR A 44 18.631 26.802 1.421 1.00 0.00 O ATOM 695 CG2 THR A 44 19.043 28.565 -0.145 1.00 0.00 C ATOM 0 H THR A 44 16.899 25.379 -2.293 1.00 0.00 H new ATOM 0 HA THR A 44 17.078 25.777 -0.092 1.00 0.00 H new ATOM 0 HB THR A 44 19.497 26.499 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.467 27.074 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.975 28.792 0.372 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.153 28.786 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.240 29.174 0.271 1.00 0.00 H new ATOM 703 N SER A 45 15.702 28.087 -1.750 1.00 0.00 N ATOM 704 CA SER A 45 14.468 28.911 -1.840 1.00 0.00 C ATOM 705 C SER A 45 14.103 29.514 -3.233 1.00 0.00 C ATOM 706 O SER A 45 13.587 30.630 -3.323 1.00 0.00 O ATOM 707 CB SER A 45 14.117 29.793 -0.621 1.00 0.00 C ATOM 708 OG SER A 45 12.899 30.512 -0.728 1.00 0.00 O ATOM 0 H SER A 45 16.053 27.783 -2.658 1.00 0.00 H new ATOM 0 HA SER A 45 13.734 28.110 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.070 29.159 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.928 30.504 -0.461 1.00 0.00 H new ATOM 0 HG SER A 45 12.789 30.833 -1.647 1.00 0.00 H new ATOM 714 N LYS A 46 14.405 28.840 -4.365 1.00 0.00 N ATOM 715 CA LYS A 46 13.648 29.064 -5.638 1.00 0.00 C ATOM 716 C LYS A 46 12.122 28.866 -5.269 1.00 0.00 C ATOM 717 O LYS A 46 11.285 29.653 -5.715 1.00 0.00 O ATOM 718 CB LYS A 46 14.153 28.162 -6.809 1.00 0.00 C ATOM 719 CG LYS A 46 15.236 28.682 -7.805 1.00 0.00 C ATOM 720 CD LYS A 46 16.499 27.791 -8.044 1.00 0.00 C ATOM 721 CE LYS A 46 16.850 27.140 -9.411 1.00 0.00 C ATOM 722 NZ LYS A 46 18.191 26.479 -9.383 1.00 0.00 N ATOM 0 H LYS A 46 15.151 28.148 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 46 13.808 30.068 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.540 27.245 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.280 27.885 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.754 28.844 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.576 29.655 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.359 28.399 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.438 26.975 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.088 26.405 -9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.836 27.902 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.389 26.057 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.921 27.185 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.196 25.735 -8.656 1.00 0.00 H new ATOM 736 N SER A 47 11.837 27.911 -4.347 1.00 0.00 N ATOM 737 CA SER A 47 10.586 27.885 -3.557 1.00 0.00 C ATOM 738 C SER A 47 9.321 27.140 -4.015 1.00 0.00 C ATOM 739 O SER A 47 8.430 27.707 -4.658 1.00 0.00 O ATOM 740 CB SER A 47 10.229 29.256 -2.959 1.00 0.00 C ATOM 741 OG SER A 47 9.444 29.072 -1.790 1.00 0.00 O ATOM 0 H SER A 47 12.469 27.140 -4.133 1.00 0.00 H new ATOM 0 HA SER A 47 10.938 27.171 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.138 29.807 -2.717 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.680 29.851 -3.689 1.00 0.00 H new ATOM 0 HG SER A 47 9.217 29.945 -1.407 1.00 0.00 H new ATOM 747 N ARG A 48 9.228 25.858 -3.605 1.00 0.00 N ATOM 748 CA ARG A 48 8.028 25.022 -3.563 1.00 0.00 C ATOM 749 C ARG A 48 8.135 24.077 -2.354 1.00 0.00 C ATOM 750 O ARG A 48 9.038 24.233 -1.536 1.00 0.00 O ATOM 751 CB ARG A 48 7.625 24.477 -4.927 1.00 0.00 C ATOM 752 CG ARG A 48 8.622 23.669 -5.700 1.00 0.00 C ATOM 753 CD ARG A 48 9.014 22.415 -4.957 1.00 0.00 C ATOM 754 NE ARG A 48 8.053 21.313 -5.145 1.00 0.00 N ATOM 755 CZ ARG A 48 8.096 20.334 -6.030 1.00 0.00 C ATOM 756 NH1 ARG A 48 9.127 20.108 -6.788 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.068 19.555 -6.162 1.00 0.00 N ATOM 0 H ARG A 48 10.050 25.353 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 48 7.126 25.600 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.736 23.861 -4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.332 25.323 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.202 23.402 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.510 24.272 -5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.999 22.092 -5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.098 22.640 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 48 7.254 21.306 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.954 20.701 -6.715 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.110 19.338 -7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.239 19.702 -5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.088 18.795 -6.842 1.00 0.00 H new ATOM 771 N GLY A 49 7.161 23.197 -2.178 1.00 0.00 N ATOM 772 CA GLY A 49 6.975 22.362 -0.974 1.00 0.00 C ATOM 773 C GLY A 49 6.639 20.878 -1.185 1.00 0.00 C ATOM 774 O GLY A 49 5.679 20.573 -1.887 1.00 0.00 O ATOM 0 H GLY A 49 6.447 23.030 -2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.888 22.419 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.178 22.806 -0.377 1.00 0.00 H new ATOM 778 N PHE A 50 7.458 19.965 -0.649 1.00 0.00 N ATOM 779 CA PHE A 50 7.058 18.529 -0.460 1.00 0.00 C ATOM 780 C PHE A 50 7.557 17.883 0.840 1.00 0.00 C ATOM 781 O PHE A 50 8.642 18.216 1.276 1.00 0.00 O ATOM 782 CB PHE A 50 7.077 17.683 -1.704 1.00 0.00 C ATOM 783 CG PHE A 50 8.346 17.369 -2.391 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.911 18.326 -3.243 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.819 16.059 -2.339 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.996 17.975 -4.056 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.961 15.736 -3.081 1.00 0.00 C ATOM 788 CZ PHE A 50 10.518 16.672 -3.969 1.00 0.00 C ATOM 0 H PHE A 50 8.405 20.176 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 50 5.985 18.578 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.607 16.733 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.432 18.173 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.512 19.329 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.317 15.312 -1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.425 18.693 -4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.416 14.763 -2.971 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.355 16.388 -4.590 1.00 0.00 H new ATOM 798 N ALA A 51 6.810 17.029 1.535 1.00 0.00 N ATOM 799 CA ALA A 51 7.132 16.664 2.921 1.00 0.00 C ATOM 800 C ALA A 51 7.739 15.296 3.122 1.00 0.00 C ATOM 801 O ALA A 51 7.328 14.312 2.523 1.00 0.00 O ATOM 802 CB ALA A 51 5.888 16.840 3.776 1.00 0.00 C ATOM 0 H ALA A 51 5.976 16.574 1.165 1.00 0.00 H new ATOM 0 HA ALA A 51 7.927 17.342 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.115 16.572 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.562 17.879 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.094 16.195 3.400 1.00 0.00 H new ATOM 808 N PHE A 52 8.768 15.280 3.959 1.00 0.00 N ATOM 809 CA PHE A 52 9.439 14.081 4.396 1.00 0.00 C ATOM 810 C PHE A 52 9.429 13.980 5.936 1.00 0.00 C ATOM 811 O PHE A 52 9.785 14.964 6.584 1.00 0.00 O ATOM 812 CB PHE A 52 10.813 14.072 3.783 1.00 0.00 C ATOM 813 CG PHE A 52 10.805 13.446 2.422 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.654 12.066 2.230 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.821 14.318 1.340 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.467 11.578 0.924 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.637 13.837 0.038 1.00 0.00 C ATOM 818 CZ PHE A 52 10.434 12.465 -0.166 1.00 0.00 C ATOM 0 H PHE A 52 9.164 16.130 4.360 1.00 0.00 H new ATOM 0 HA PHE A 52 8.919 13.185 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.187 15.093 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.498 13.526 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.681 11.389 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.976 15.374 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.348 10.517 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.651 14.517 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.252 12.089 -1.162 1.00 0.00 H new ATOM 828 N ILE A 53 9.044 12.858 6.573 1.00 0.00 N ATOM 829 CA ILE A 53 9.174 12.762 8.053 1.00 0.00 C ATOM 830 C ILE A 53 9.760 11.420 8.507 1.00 0.00 C ATOM 831 O ILE A 53 9.395 10.370 7.983 1.00 0.00 O ATOM 832 CB ILE A 53 7.891 13.216 8.803 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.051 14.497 9.620 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.404 12.127 9.764 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.718 15.055 10.158 1.00 0.00 C ATOM 0 H ILE A 53 8.655 12.033 6.116 1.00 0.00 H new ATOM 0 HA ILE A 53 9.923 13.494 8.357 1.00 0.00 H new ATOM 0 HB ILE A 53 7.173 13.409 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.719 14.302 10.459 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.530 15.256 9.001 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.505 12.469 10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.178 11.220 9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.182 11.915 10.498 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.908 15.964 10.728 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.055 15.282 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.247 14.314 10.804 1.00 0.00 H new ATOM 847 N THR A 54 10.700 11.467 9.453 1.00 0.00 N ATOM 848 CA THR A 54 11.401 10.298 10.006 1.00 0.00 C ATOM 849 C THR A 54 10.878 9.970 11.404 1.00 0.00 C ATOM 850 O THR A 54 10.895 10.817 12.314 1.00 0.00 O ATOM 851 CB THR A 54 12.915 10.538 10.095 1.00 0.00 C ATOM 852 OG1 THR A 54 13.372 11.277 8.985 1.00 0.00 O ATOM 853 CG2 THR A 54 13.712 9.237 10.112 1.00 0.00 C ATOM 0 H THR A 54 11.007 12.345 9.871 1.00 0.00 H new ATOM 0 HA THR A 54 11.212 9.464 9.330 1.00 0.00 H new ATOM 0 HB THR A 54 13.071 11.080 11.028 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.053 12.201 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.776 9.463 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.416 8.640 10.974 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.514 8.677 9.198 1.00 0.00 H new ATOM 861 N PHE A 55 10.460 8.710 11.557 1.00 0.00 N ATOM 862 CA PHE A 55 9.856 8.097 12.735 1.00 0.00 C ATOM 863 C PHE A 55 10.863 7.191 13.445 1.00 0.00 C ATOM 864 O PHE A 55 11.559 6.401 12.805 1.00 0.00 O ATOM 865 CB PHE A 55 8.677 7.207 12.320 1.00 0.00 C ATOM 866 CG PHE A 55 7.487 7.928 11.736 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.476 8.298 10.383 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.358 8.176 12.532 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.347 8.921 9.842 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.219 8.778 11.978 1.00 0.00 C ATOM 871 CZ PHE A 55 5.214 9.156 10.630 1.00 0.00 C ATOM 0 H PHE A 55 10.544 8.039 10.793 1.00 0.00 H new ATOM 0 HA PHE A 55 9.530 8.903 13.393 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.033 6.481 11.589 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.345 6.644 13.193 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.337 8.102 9.761 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.366 7.902 13.577 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.349 9.224 8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.346 8.950 12.591 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.342 9.626 10.201 1.00 0.00 H new ATOM 881 N GLU A 56 10.916 7.292 14.774 1.00 0.00 N ATOM 882 CA GLU A 56 11.676 6.343 15.607 1.00 0.00 C ATOM 883 C GLU A 56 11.502 4.834 15.271 1.00 0.00 C ATOM 884 O GLU A 56 12.435 4.071 15.523 1.00 0.00 O ATOM 885 CB GLU A 56 11.395 6.621 17.094 1.00 0.00 C ATOM 886 CG GLU A 56 11.513 8.104 17.480 1.00 0.00 C ATOM 887 CD GLU A 56 11.618 8.262 19.012 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.570 8.297 19.702 1.00 0.00 O ATOM 889 OE2 GLU A 56 12.755 8.331 19.541 1.00 0.00 O ATOM 0 H GLU A 56 10.441 8.023 15.304 1.00 0.00 H new ATOM 0 HA GLU A 56 12.723 6.531 15.368 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.392 6.271 17.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.090 6.041 17.700 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.391 8.540 17.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.645 8.651 17.112 1.00 0.00 H new ATOM 896 N ASN A 57 10.381 4.397 14.660 1.00 0.00 N ATOM 897 CA ASN A 57 10.267 3.029 14.102 1.00 0.00 C ATOM 898 C ASN A 57 9.497 3.013 12.756 1.00 0.00 C ATOM 899 O ASN A 57 8.584 3.821 12.553 1.00 0.00 O ATOM 900 CB ASN A 57 9.558 2.081 15.090 1.00 0.00 C ATOM 901 CG ASN A 57 10.070 2.117 16.518 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.071 1.500 16.864 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.377 2.793 17.401 1.00 0.00 N ATOM 0 H ASN A 57 9.544 4.967 14.540 1.00 0.00 H new ATOM 0 HA ASN A 57 11.286 2.684 13.929 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.495 2.323 15.098 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.650 1.061 14.716 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.670 2.806 18.378 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.544 3.306 17.112 1.00 0.00 H new ATOM 910 N PRO A 58 9.777 2.029 11.875 1.00 0.00 N ATOM 911 CA PRO A 58 9.065 1.813 10.604 1.00 0.00 C ATOM 912 C PRO A 58 7.589 1.467 10.828 1.00 0.00 C ATOM 913 O PRO A 58 6.719 1.907 10.073 1.00 0.00 O ATOM 914 CB PRO A 58 9.816 0.675 9.903 1.00 0.00 C ATOM 915 CG PRO A 58 10.435 -0.096 11.068 1.00 0.00 C ATOM 916 CD PRO A 58 10.774 0.991 12.071 1.00 0.00 C ATOM 0 HA PRO A 58 9.054 2.718 9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.144 0.049 9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.576 1.054 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.737 -0.823 11.484 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.323 -0.647 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.744 0.607 13.091 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.780 1.377 11.905 1.00 0.00 H new ATOM 924 N ALA A 59 7.321 0.749 11.924 1.00 0.00 N ATOM 925 CA ALA A 59 5.966 0.531 12.408 1.00 0.00 C ATOM 926 C ALA A 59 5.137 1.809 12.445 1.00 0.00 C ATOM 927 O ALA A 59 4.102 1.936 11.799 1.00 0.00 O ATOM 928 CB ALA A 59 6.090 0.005 13.848 1.00 0.00 C ATOM 0 H ALA A 59 8.041 0.306 12.495 1.00 0.00 H new ATOM 0 HA ALA A 59 5.464 -0.163 11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.096 -0.175 14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.656 -0.927 13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.607 0.743 14.462 1.00 0.00 H new ATOM 934 N ASP A 60 5.588 2.721 13.294 1.00 0.00 N ATOM 935 CA ASP A 60 4.916 3.979 13.505 1.00 0.00 C ATOM 936 C ASP A 60 4.765 4.838 12.243 1.00 0.00 C ATOM 937 O ASP A 60 3.747 5.498 12.033 1.00 0.00 O ATOM 938 CB ASP A 60 5.621 4.701 14.627 1.00 0.00 C ATOM 939 CG ASP A 60 5.824 3.889 15.916 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.840 3.327 16.452 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.975 3.848 16.408 1.00 0.00 O ATOM 0 H ASP A 60 6.433 2.602 13.853 1.00 0.00 H new ATOM 0 HA ASP A 60 3.883 3.774 13.784 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.597 5.028 14.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.053 5.599 14.870 1.00 0.00 H new ATOM 946 N ALA A 61 5.788 4.792 11.389 1.00 0.00 N ATOM 947 CA ALA A 61 5.715 5.382 10.056 1.00 0.00 C ATOM 948 C ALA A 61 4.520 4.845 9.255 1.00 0.00 C ATOM 949 O ALA A 61 3.688 5.597 8.748 1.00 0.00 O ATOM 950 CB ALA A 61 7.052 5.070 9.369 1.00 0.00 C ATOM 0 H ALA A 61 6.682 4.349 11.601 1.00 0.00 H new ATOM 0 HA ALA A 61 5.555 6.458 10.119 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.051 5.491 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.868 5.507 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.188 3.990 9.310 1.00 0.00 H new ATOM 956 N LYS A 62 4.449 3.519 9.160 1.00 0.00 N ATOM 957 CA LYS A 62 3.334 2.779 8.523 1.00 0.00 C ATOM 958 C LYS A 62 1.982 3.130 9.124 1.00 0.00 C ATOM 959 O LYS A 62 0.995 3.311 8.424 1.00 0.00 O ATOM 960 CB LYS A 62 3.582 1.266 8.542 1.00 0.00 C ATOM 961 CG LYS A 62 2.549 0.488 7.706 1.00 0.00 C ATOM 962 CD LYS A 62 2.940 -0.992 7.614 1.00 0.00 C ATOM 963 CE LYS A 62 1.964 -1.768 6.721 1.00 0.00 C ATOM 964 NZ LYS A 62 2.470 -3.135 6.440 1.00 0.00 N ATOM 0 H LYS A 62 5.175 2.905 9.528 1.00 0.00 H new ATOM 0 HA LYS A 62 3.303 3.098 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.582 1.060 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.554 0.909 9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.561 0.582 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.484 0.916 6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.951 -1.080 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.952 -1.431 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.991 -1.830 7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.818 -1.231 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.791 -3.639 5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.388 -3.073 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.586 -3.653 7.334 1.00 0.00 H new ATOM 978 N ASN A 63 1.943 3.174 10.447 1.00 0.00 N ATOM 979 CA ASN A 63 0.763 3.562 11.185 1.00 0.00 C ATOM 980 C ASN A 63 0.235 4.931 10.772 1.00 0.00 C ATOM 981 O ASN A 63 -0.900 5.032 10.325 1.00 0.00 O ATOM 982 CB ASN A 63 1.210 3.502 12.635 1.00 0.00 C ATOM 983 CG ASN A 63 0.125 3.212 13.630 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.806 2.456 13.390 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.262 3.745 14.809 1.00 0.00 N ATOM 0 H ASN A 63 2.740 2.938 11.039 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.086 2.907 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.980 2.736 12.729 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.673 4.454 12.895 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.411 3.534 15.546 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.043 4.374 14.997 1.00 0.00 H new ATOM 992 N ALA A 64 1.082 5.957 10.872 1.00 0.00 N ATOM 993 CA ALA A 64 0.754 7.282 10.366 1.00 0.00 C ATOM 994 C ALA A 64 0.361 7.271 8.876 1.00 0.00 C ATOM 995 O ALA A 64 -0.597 7.940 8.491 1.00 0.00 O ATOM 996 CB ALA A 64 1.931 8.187 10.720 1.00 0.00 C ATOM 0 H ALA A 64 2.004 5.890 11.302 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.147 7.676 10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.734 9.197 10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.063 8.206 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.838 7.805 10.251 1.00 0.00 H new ATOM 1002 N ALA A 65 1.034 6.468 8.041 1.00 0.00 N ATOM 1003 CA ALA A 65 0.589 6.229 6.668 1.00 0.00 C ATOM 1004 C ALA A 65 -0.857 5.709 6.573 1.00 0.00 C ATOM 1005 O ALA A 65 -1.721 6.415 6.068 1.00 0.00 O ATOM 1006 CB ALA A 65 1.584 5.327 5.919 1.00 0.00 C ATOM 0 H ALA A 65 1.889 5.974 8.296 1.00 0.00 H new ATOM 0 HA ALA A 65 0.574 7.199 6.171 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.232 5.164 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.562 5.808 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.665 4.369 6.433 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.118 4.483 7.038 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.404 3.763 6.949 1.00 0.00 C ATOM 1014 C LYS A 66 -3.553 4.560 7.552 1.00 0.00 C ATOM 1015 O LYS A 66 -4.687 4.496 7.080 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.300 2.315 7.467 1.00 0.00 C ATOM 1017 CG LYS A 66 -2.273 2.176 8.996 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.140 0.711 9.433 1.00 0.00 C ATOM 1019 CE LYS A 66 -2.184 0.620 10.963 1.00 0.00 C ATOM 1020 NZ LYS A 66 -2.118 -0.788 11.437 1.00 0.00 N ATOM 0 H LYS A 66 -0.403 3.932 7.513 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.650 3.667 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.144 1.744 7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.396 1.863 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.440 2.752 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.186 2.599 9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.946 0.118 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.204 0.295 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.352 1.184 11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.101 1.083 11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.150 -0.806 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.926 -1.321 11.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.232 -1.223 11.111 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.245 5.297 8.619 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.140 6.331 9.132 1.00 0.00 C ATOM 1036 C ASP A 67 -4.520 7.366 8.064 1.00 0.00 C ATOM 1037 O ASP A 67 -5.688 7.588 7.740 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.403 7.059 10.264 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.321 7.813 11.243 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.561 7.621 11.214 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.795 8.609 12.050 1.00 0.00 O ATOM 0 H ASP A 67 -2.378 5.195 9.146 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.059 5.852 9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.815 6.332 10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.700 7.768 9.826 1.00 0.00 H new ATOM 1046 N MET A 68 -3.462 8.053 7.632 1.00 0.00 N ATOM 1047 CA MET A 68 -3.591 9.260 6.789 1.00 0.00 C ATOM 1048 C MET A 68 -4.041 8.989 5.358 1.00 0.00 C ATOM 1049 O MET A 68 -5.234 9.043 5.065 1.00 0.00 O ATOM 1050 CB MET A 68 -2.332 10.117 6.877 1.00 0.00 C ATOM 1051 CG MET A 68 -2.184 10.788 8.241 1.00 0.00 C ATOM 1052 SD MET A 68 -3.453 12.036 8.597 1.00 0.00 S ATOM 1053 CE MET A 68 -4.500 11.060 9.709 1.00 0.00 C ATOM 0 H MET A 68 -2.498 7.799 7.849 1.00 0.00 H new ATOM 0 HA MET A 68 -4.416 9.838 7.204 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.458 9.496 6.683 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.359 10.881 6.100 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.216 10.022 9.016 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.202 11.258 8.298 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.273 11.699 10.135 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.967 10.249 9.150 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.890 10.644 10.511 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.062 8.675 4.498 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.314 8.079 3.177 1.00 0.00 C ATOM 1065 C ASN A 69 -4.551 8.538 2.369 1.00 0.00 C ATOM 1066 O ASN A 69 -5.293 7.721 1.818 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.131 6.555 3.323 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.221 5.715 3.986 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -4.188 4.494 3.909 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.206 6.279 4.646 1.00 0.00 N ATOM 0 H ASN A 69 -2.073 8.827 4.698 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.574 8.495 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.973 6.150 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.210 6.391 3.883 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.924 5.701 5.082 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.253 7.295 4.723 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.770 9.854 2.312 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.893 10.491 1.619 1.00 0.00 C ATOM 1079 C GLY A 70 -6.950 11.123 2.515 1.00 0.00 C ATOM 1080 O GLY A 70 -8.129 11.165 2.151 1.00 0.00 O ATOM 0 H GLY A 70 -4.150 10.528 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.497 11.261 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.377 9.745 0.988 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.506 11.635 3.667 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.339 12.500 4.493 1.00 0.00 C ATOM 1086 C LYS A 71 -7.046 13.945 4.056 1.00 0.00 C ATOM 1087 O LYS A 71 -6.384 14.163 3.034 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.973 12.138 5.933 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.777 12.887 7.012 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.035 12.017 8.249 1.00 0.00 C ATOM 1091 CE LYS A 71 -8.830 12.802 9.301 1.00 0.00 C ATOM 1092 NZ LYS A 71 -9.219 11.944 10.453 1.00 0.00 N ATOM 0 H LYS A 71 -5.574 11.463 4.044 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.418 12.382 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.117 11.066 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.913 12.339 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.236 13.786 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.729 13.212 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.585 11.121 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.087 11.687 8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.232 13.640 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.725 13.222 8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.754 12.510 11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.811 11.158 10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.364 11.564 10.907 1.00 0.00 H new ATOM 1106 N SER A 72 -7.528 14.954 4.769 1.00 0.00 N ATOM 1107 CA SER A 72 -7.497 16.327 4.278 1.00 0.00 C ATOM 1108 C SER A 72 -7.544 17.346 5.406 1.00 0.00 C ATOM 1109 O SER A 72 -8.397 17.308 6.296 1.00 0.00 O ATOM 1110 CB SER A 72 -8.622 16.511 3.248 1.00 0.00 C ATOM 1111 OG SER A 72 -9.912 16.348 3.817 1.00 0.00 O ATOM 0 H SER A 72 -7.947 14.848 5.693 1.00 0.00 H new ATOM 0 HA SER A 72 -6.544 16.511 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.546 17.504 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.491 15.791 2.440 1.00 0.00 H new ATOM 0 HG SER A 72 -10.594 16.476 3.124 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.537 18.221 5.381 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.232 19.145 6.475 1.00 0.00 C ATOM 1119 C LEU A 73 -5.549 20.459 6.030 1.00 0.00 C ATOM 1120 O LEU A 73 -5.120 21.252 6.867 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.526 18.346 7.596 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.108 17.754 7.427 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.708 17.091 6.104 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.047 18.810 7.744 1.00 0.00 C ATOM 0 H LEU A 73 -5.901 18.309 4.588 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.157 19.544 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.490 18.998 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.184 17.514 7.847 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.156 16.926 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.680 16.736 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.371 16.249 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.789 17.816 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.054 18.377 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.161 19.656 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.169 19.151 8.772 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.511 20.716 4.713 1.00 0.00 N ATOM 1137 CA HIS A 74 -5.111 21.999 4.108 1.00 0.00 C ATOM 1138 C HIS A 74 -5.989 22.409 2.897 1.00 0.00 C ATOM 1139 O HIS A 74 -5.513 23.029 1.944 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.598 22.028 3.843 1.00 0.00 C ATOM 1141 CG HIS A 74 -3.061 21.179 2.719 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.729 21.610 1.454 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.548 19.924 2.858 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -2.005 20.650 0.851 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.868 19.597 1.674 1.00 0.00 N ATOM 0 H HIS A 74 -5.766 20.015 4.017 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.308 22.786 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.313 23.062 3.647 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.092 21.727 4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.989 22.507 1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.647 19.291 3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.595 20.716 -0.146 1.00 0.00 H new ATOM 1153 N GLY A 75 -7.280 22.031 2.928 1.00 0.00 N ATOM 1154 CA GLY A 75 -8.237 22.411 1.867 1.00 0.00 C ATOM 1155 C GLY A 75 -8.000 21.777 0.486 1.00 0.00 C ATOM 1156 O GLY A 75 -8.454 22.334 -0.519 1.00 0.00 O ATOM 0 H GLY A 75 -7.686 21.464 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.241 22.146 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.214 23.495 1.756 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.278 20.643 0.445 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.764 20.058 -0.825 1.00 0.00 C ATOM 1162 C LYS A 76 -6.492 18.541 -0.766 1.00 0.00 C ATOM 1163 O LYS A 76 -6.477 17.907 -1.822 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.456 20.774 -1.240 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.711 22.192 -1.774 1.00 0.00 C ATOM 1166 CD LYS A 76 -4.525 22.820 -2.507 1.00 0.00 C ATOM 1167 CE LYS A 76 -4.985 24.185 -3.042 1.00 0.00 C ATOM 1168 NZ LYS A 76 -3.884 24.950 -3.674 1.00 0.00 N ATOM 0 H LYS A 76 -7.032 20.105 1.276 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.558 20.209 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.785 20.826 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.950 20.186 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.565 22.163 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.987 22.836 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.676 22.938 -1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.196 22.179 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.783 24.036 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.405 24.769 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.193 25.300 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.628 25.756 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.057 24.332 -3.795 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.301 18.008 0.452 1.00 0.00 N ATOM 1183 CA ALA A 77 -6.073 16.569 0.674 1.00 0.00 C ATOM 1184 C ALA A 77 -4.602 16.146 0.504 1.00 0.00 C ATOM 1185 O ALA A 77 -3.833 16.801 -0.205 1.00 0.00 O ATOM 1186 CB ALA A 77 -7.082 15.662 -0.052 1.00 0.00 C ATOM 0 H ALA A 77 -6.300 18.561 1.309 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.282 16.407 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.850 14.618 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.090 15.887 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.022 15.837 -1.126 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.233 15.057 1.192 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.825 14.626 1.289 1.00 0.00 C ATOM 1194 C ILE A 78 -2.582 13.176 0.957 1.00 0.00 C ATOM 1195 O ILE A 78 -3.303 12.286 1.407 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.128 14.916 2.623 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -2.716 14.450 3.957 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -1.925 16.437 2.712 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -3.150 13.026 4.263 1.00 0.00 C ATOM 0 H ILE A 78 -4.888 14.456 1.691 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.380 15.258 0.521 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.238 14.291 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.979 14.709 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.591 15.075 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.430 16.684 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.308 16.771 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.893 16.936 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.531 12.973 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.934 12.727 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.297 12.355 4.159 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.531 12.941 0.177 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.109 11.590 -0.165 1.00 0.00 C ATOM 1213 C LYS A 79 0.137 11.158 0.595 1.00 0.00 C ATOM 1214 O LYS A 79 1.080 11.928 0.708 1.00 0.00 O ATOM 1215 CB LYS A 79 -1.028 11.533 -1.698 1.00 0.00 C ATOM 1216 CG LYS A 79 -0.595 10.179 -2.263 1.00 0.00 C ATOM 1217 CD LYS A 79 0.931 10.120 -2.404 1.00 0.00 C ATOM 1218 CE LYS A 79 1.495 8.790 -2.892 1.00 0.00 C ATOM 1219 NZ LYS A 79 0.899 7.564 -2.294 1.00 0.00 N ATOM 0 H LYS A 79 -0.953 13.676 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.829 10.839 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.004 11.788 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.328 12.295 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.937 9.378 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.063 10.017 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.245 10.903 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.377 10.351 -1.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.368 8.740 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.567 8.780 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.445 6.731 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.921 7.638 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.086 7.465 -2.613 1.00 0.00 H new ATOM 1233 N VAL A 80 0.125 9.929 1.120 1.00 0.00 N ATOM 1234 CA VAL A 80 1.238 9.338 1.885 1.00 0.00 C ATOM 1235 C VAL A 80 1.846 8.138 1.165 1.00 0.00 C ATOM 1236 O VAL A 80 1.127 7.304 0.610 1.00 0.00 O ATOM 1237 CB VAL A 80 0.784 8.903 3.291 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.987 8.404 4.106 1.00 0.00 C ATOM 1239 CG2 VAL A 80 0.070 10.044 4.026 1.00 0.00 C ATOM 0 H VAL A 80 -0.673 9.301 1.026 1.00 0.00 H new ATOM 0 HA VAL A 80 1.996 10.116 1.976 1.00 0.00 H new ATOM 0 HB VAL A 80 0.071 8.086 3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.653 8.099 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.442 7.553 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.720 9.205 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.237 9.704 5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.748 10.891 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.809 10.349 3.458 1.00 0.00 H new ATOM 1249 N GLU A 81 3.173 8.079 1.108 1.00 0.00 N ATOM 1250 CA GLU A 81 3.962 6.917 0.688 1.00 0.00 C ATOM 1251 C GLU A 81 5.158 6.662 1.618 1.00 0.00 C ATOM 1252 O GLU A 81 5.711 7.607 2.186 1.00 0.00 O ATOM 1253 CB GLU A 81 4.338 6.988 -0.801 1.00 0.00 C ATOM 1254 CG GLU A 81 4.446 5.574 -1.404 1.00 0.00 C ATOM 1255 CD GLU A 81 4.072 5.546 -2.896 1.00 0.00 C ATOM 1256 OE1 GLU A 81 2.884 5.804 -3.216 1.00 0.00 O ATOM 1257 OE2 GLU A 81 4.949 5.237 -3.736 1.00 0.00 O ATOM 0 H GLU A 81 3.758 8.874 1.364 1.00 0.00 H new ATOM 0 HA GLU A 81 3.327 6.036 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.588 7.564 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.287 7.512 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.464 5.205 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.792 4.896 -0.855 1.00 0.00 H new ATOM 1264 N GLN A 82 5.598 5.409 1.773 1.00 0.00 N ATOM 1265 CA GLN A 82 6.838 5.128 2.506 1.00 0.00 C ATOM 1266 C GLN A 82 7.993 5.468 1.539 1.00 0.00 C ATOM 1267 O GLN A 82 8.000 5.038 0.381 1.00 0.00 O ATOM 1268 CB GLN A 82 6.874 3.642 2.907 1.00 0.00 C ATOM 1269 CG GLN A 82 7.727 3.388 4.165 1.00 0.00 C ATOM 1270 CD GLN A 82 6.947 3.476 5.480 1.00 0.00 C ATOM 1271 OE1 GLN A 82 5.808 3.914 5.554 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.520 3.019 6.571 1.00 0.00 N ATOM 0 H GLN A 82 5.123 4.584 1.407 1.00 0.00 H new ATOM 0 HA GLN A 82 6.916 5.714 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.857 3.293 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.271 3.055 2.079 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.180 2.399 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.542 4.111 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.470 2.649 6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.015 3.034 7.457 1.00 0.00 H new ATOM 1281 N ALA A 83 8.918 6.326 1.978 1.00 0.00 N ATOM 1282 CA ALA A 83 9.896 6.965 1.097 1.00 0.00 C ATOM 1283 C ALA A 83 10.887 6.022 0.383 1.00 0.00 C ATOM 1284 O ALA A 83 11.325 4.998 0.919 1.00 0.00 O ATOM 1285 CB ALA A 83 10.649 8.051 1.875 1.00 0.00 C ATOM 0 H ALA A 83 9.009 6.597 2.957 1.00 0.00 H new ATOM 0 HA ALA A 83 9.311 7.393 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.378 8.528 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.941 8.798 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.164 7.600 2.723 1.00 0.00 H new ATOM 1291 N LYS A 84 11.284 6.472 -0.813 1.00 0.00 N ATOM 1292 CA LYS A 84 12.395 5.869 -1.571 1.00 0.00 C ATOM 1293 C LYS A 84 13.614 6.792 -1.545 1.00 0.00 C ATOM 1294 O LYS A 84 13.490 7.977 -1.239 1.00 0.00 O ATOM 1295 CB LYS A 84 11.926 5.692 -3.032 1.00 0.00 C ATOM 1296 CG LYS A 84 11.342 4.301 -3.302 1.00 0.00 C ATOM 1297 CD LYS A 84 12.448 3.349 -3.775 1.00 0.00 C ATOM 1298 CE LYS A 84 11.869 1.946 -3.989 1.00 0.00 C ATOM 1299 NZ LYS A 84 12.737 1.135 -4.881 1.00 0.00 N ATOM 0 H LYS A 84 10.847 7.263 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 84 12.672 4.912 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.175 6.448 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.768 5.865 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.878 3.911 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.560 4.367 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.885 3.717 -4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.250 3.313 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.762 1.444 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.871 2.024 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.319 0.191 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.819 1.604 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.681 1.042 -4.455 1.00 0.00 H new ATOM 1313 N LYS A 85 14.791 6.254 -1.883 1.00 0.00 N ATOM 1314 CA LYS A 85 15.990 7.078 -2.146 1.00 0.00 C ATOM 1315 C LYS A 85 15.734 8.088 -3.297 1.00 0.00 C ATOM 1316 O LYS A 85 15.071 7.719 -4.273 1.00 0.00 O ATOM 1317 CB LYS A 85 17.170 6.146 -2.466 1.00 0.00 C ATOM 1318 CG LYS A 85 17.683 5.403 -1.221 1.00 0.00 C ATOM 1319 CD LYS A 85 18.729 4.332 -1.563 1.00 0.00 C ATOM 1320 CE LYS A 85 20.019 4.919 -2.151 1.00 0.00 C ATOM 1321 NZ LYS A 85 21.002 3.849 -2.463 1.00 0.00 N ATOM 0 H LYS A 85 14.945 5.251 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 85 16.229 7.667 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.862 5.420 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.983 6.729 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.118 6.122 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.842 4.934 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.971 3.768 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.300 3.627 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.787 5.479 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.457 5.624 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.864 4.275 -2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.240 3.331 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.591 3.191 -3.156 1.00 0.00 H new ATOM 1335 N PRO A 86 16.247 9.335 -3.231 1.00 0.00 N ATOM 1336 CA PRO A 86 15.884 10.410 -4.162 1.00 0.00 C ATOM 1337 C PRO A 86 16.378 10.143 -5.590 1.00 0.00 C ATOM 1338 O PRO A 86 17.575 9.960 -5.820 1.00 0.00 O ATOM 1339 CB PRO A 86 16.476 11.691 -3.568 1.00 0.00 C ATOM 1340 CG PRO A 86 17.624 11.214 -2.697 1.00 0.00 C ATOM 1341 CD PRO A 86 17.151 9.842 -2.208 1.00 0.00 C ATOM 0 HA PRO A 86 14.802 10.489 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.825 12.366 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.735 12.236 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.554 11.141 -3.262 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.808 11.895 -1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.995 9.167 -2.066 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.644 9.925 -1.247 1.00 0.00 H new