USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 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 62 LYS NZ :NH3+ 147:sc= 0.978 (180deg=-0.126) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.852 K(o=1.8,f=-2.5) USER MOD Set 2.1: A 19 THR OG1 : rot 154:sc= 0.0272 USER MOD Set 2.2: A 23 MET CE :methyl -130:sc= 0 (180deg=-0.159) USER MOD Set 2.3: A 74 HIS : no HE2:sc= 0.328 K(o=0.36,f=-7.6!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -135:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 54 THR OG1 : rot 171:sc= 2.22 USER MOD Single : A 16 ASN : amide:sc= 0.874 K(o=0.87,f=-0.4) USER MOD Single : A 20 ASN : amide:sc= -0.999 X(o=-1,f=-1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.354 (180deg=0.303) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= 0.633 K(o=0.63,f=-2.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -45:sc=0.000123 USER MOD Single : A 45 SER OG : rot -40:sc= 0.758 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= -0.195 (180deg=-0.214) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0023) USER MOD Single : A 63 ASN : amide:sc= 0.412 K(o=0.41,f=-0.52) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -119:sc= -2.48 (180deg=-3.1!) USER MOD Single : A 69 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.26) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.16) USER MOD Single : A 72 SER OG : rot 14:sc= 0.133 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 0.0474 (180deg=0) 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 10.775 6.283 6.881 1.00 0.00 N ATOM 112 CA LYS A 9 10.930 7.587 6.230 1.00 0.00 C ATOM 113 C LYS A 9 9.691 7.705 5.374 1.00 0.00 C ATOM 114 O LYS A 9 9.346 6.773 4.644 1.00 0.00 O ATOM 115 CB LYS A 9 12.228 7.606 5.412 1.00 0.00 C ATOM 116 CG LYS A 9 12.606 8.992 4.863 1.00 0.00 C ATOM 117 CD LYS A 9 13.161 9.894 5.970 1.00 0.00 C ATOM 118 CE LYS A 9 13.713 11.206 5.405 1.00 0.00 C ATOM 119 NZ LYS A 9 14.486 11.941 6.438 1.00 0.00 N ATOM 0 HA LYS A 9 11.014 8.427 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.043 7.240 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.129 6.912 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.349 8.883 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.730 9.460 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.374 10.111 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.950 9.368 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.351 10.997 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.892 11.828 5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.220 12.946 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.278 11.543 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.503 11.849 6.241 1.00 0.00 H new ATOM 133 N LEU A 10 8.984 8.810 5.528 1.00 0.00 N ATOM 134 CA LEU A 10 7.620 8.884 5.064 1.00 0.00 C ATOM 135 C LEU A 10 7.353 10.207 4.316 1.00 0.00 C ATOM 136 O LEU A 10 7.826 11.261 4.736 1.00 0.00 O ATOM 137 CB LEU A 10 6.792 8.586 6.342 1.00 0.00 C ATOM 138 CG LEU A 10 5.508 7.833 6.021 1.00 0.00 C ATOM 139 CD1 LEU A 10 5.650 6.312 5.951 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.300 8.246 6.856 1.00 0.00 C ATOM 0 H LEU A 10 9.333 9.661 5.969 1.00 0.00 H new ATOM 0 HA LEU A 10 7.341 8.167 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.394 7.999 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.548 9.522 6.844 1.00 0.00 H new ATOM 0 HG LEU A 10 5.302 8.161 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.683 5.867 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.368 6.049 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.000 5.935 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.433 7.657 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.511 8.073 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.092 9.304 6.697 1.00 0.00 H new ATOM 152 N PHE A 11 6.671 10.135 3.173 1.00 0.00 N ATOM 153 CA PHE A 11 6.450 11.211 2.197 1.00 0.00 C ATOM 154 C PHE A 11 5.009 11.725 2.318 1.00 0.00 C ATOM 155 O PHE A 11 4.065 10.940 2.166 1.00 0.00 O ATOM 156 CB PHE A 11 6.695 10.627 0.786 1.00 0.00 C ATOM 157 CG PHE A 11 6.389 11.457 -0.464 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.204 12.858 -0.448 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.302 10.782 -1.699 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.880 13.550 -1.628 1.00 0.00 C ATOM 161 CE2 PHE A 11 6.020 11.480 -2.887 1.00 0.00 C ATOM 162 CZ PHE A 11 5.794 12.865 -2.850 1.00 0.00 C ATOM 0 H PHE A 11 6.226 9.265 2.881 1.00 0.00 H new ATOM 0 HA PHE A 11 7.128 12.045 2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.746 10.343 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.112 9.709 0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.312 13.402 0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.454 9.713 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.696 14.614 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.977 10.951 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.555 13.401 -3.757 1.00 0.00 H new ATOM 172 N ILE A 12 4.859 13.039 2.554 1.00 0.00 N ATOM 173 CA ILE A 12 3.559 13.683 2.514 1.00 0.00 C ATOM 174 C ILE A 12 3.631 14.582 1.302 1.00 0.00 C ATOM 175 O ILE A 12 4.546 15.401 1.137 1.00 0.00 O ATOM 176 CB ILE A 12 3.260 14.449 3.817 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.478 13.555 4.793 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.409 15.727 3.637 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.933 12.103 4.953 1.00 0.00 C ATOM 0 H ILE A 12 5.632 13.668 2.774 1.00 0.00 H new ATOM 0 HA ILE A 12 2.737 12.972 2.436 1.00 0.00 H new ATOM 0 HB ILE A 12 4.244 14.736 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.509 14.026 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.435 13.546 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.250 16.198 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.930 16.421 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.446 15.464 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.289 11.597 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.872 11.595 3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.963 12.082 5.310 1.00 0.00 H new ATOM 191 N GLY A 13 2.650 14.371 0.445 1.00 0.00 N ATOM 192 CA GLY A 13 2.506 15.064 -0.799 1.00 0.00 C ATOM 193 C GLY A 13 1.361 16.043 -0.710 1.00 0.00 C ATOM 194 O GLY A 13 0.235 15.706 -0.335 1.00 0.00 O ATOM 0 H GLY A 13 1.912 13.687 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.429 15.591 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.325 14.351 -1.604 1.00 0.00 H new ATOM 198 N GLY A 14 1.727 17.264 -1.065 1.00 0.00 N ATOM 199 CA GLY A 14 0.795 18.372 -1.122 1.00 0.00 C ATOM 200 C GLY A 14 1.521 19.639 -0.939 1.00 0.00 C ATOM 201 O GLY A 14 2.181 20.073 -1.878 1.00 0.00 O ATOM 0 H GLY A 14 2.682 17.512 -1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.276 18.374 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.036 18.261 -0.348 1.00 0.00 H new ATOM 205 N LEU A 15 1.431 20.128 0.282 1.00 0.00 N ATOM 206 CA LEU A 15 2.144 21.324 0.710 1.00 0.00 C ATOM 207 C LEU A 15 1.829 22.618 0.028 1.00 0.00 C ATOM 208 O LEU A 15 1.745 23.627 0.711 1.00 0.00 O ATOM 209 CB LEU A 15 3.645 21.099 0.522 1.00 0.00 C ATOM 210 CG LEU A 15 4.297 19.940 1.263 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.841 19.915 2.693 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.900 18.605 0.667 1.00 0.00 C ATOM 0 H LEU A 15 0.858 19.707 1.013 1.00 0.00 H new ATOM 0 HA LEU A 15 1.811 21.446 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.830 20.959 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.158 22.014 0.817 1.00 0.00 H new ATOM 0 HG LEU A 15 5.374 20.088 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.315 19.081 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.119 20.850 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.758 19.795 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.384 17.801 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.818 18.487 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.212 18.565 -0.377 1.00 0.00 H new ATOM 224 N ASN A 16 1.513 22.568 -1.251 1.00 0.00 N ATOM 225 CA ASN A 16 0.959 23.595 -2.077 1.00 0.00 C ATOM 226 C ASN A 16 1.570 24.999 -1.873 1.00 0.00 C ATOM 227 O ASN A 16 0.926 26.018 -2.124 1.00 0.00 O ATOM 228 CB ASN A 16 -0.534 23.431 -1.834 1.00 0.00 C ATOM 229 CG ASN A 16 -1.400 24.348 -2.688 1.00 0.00 C ATOM 230 OD1 ASN A 16 -1.179 24.505 -3.881 1.00 0.00 O ATOM 231 ND2 ASN A 16 -2.428 24.948 -2.143 1.00 0.00 N ATOM 0 H ASN A 16 1.658 21.710 -1.783 1.00 0.00 H new ATOM 0 HA ASN A 16 1.200 23.494 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.813 22.396 -2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.745 23.623 -0.782 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.034 25.539 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.623 24.825 -1.149 1.00 0.00 H new ATOM 238 N ARG A 17 2.829 25.032 -1.396 1.00 0.00 N ATOM 239 CA ARG A 17 3.536 26.210 -0.870 1.00 0.00 C ATOM 240 C ARG A 17 2.594 27.067 0.013 1.00 0.00 C ATOM 241 O ARG A 17 2.528 28.293 -0.082 1.00 0.00 O ATOM 242 CB ARG A 17 4.363 26.916 -1.977 1.00 0.00 C ATOM 243 CG ARG A 17 4.062 26.551 -3.448 1.00 0.00 C ATOM 244 CD ARG A 17 4.510 25.138 -3.917 1.00 0.00 C ATOM 245 NE ARG A 17 3.439 24.251 -4.434 1.00 0.00 N ATOM 246 CZ ARG A 17 2.512 24.486 -5.347 1.00 0.00 C ATOM 247 NH1 ARG A 17 2.350 25.630 -5.948 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.722 23.513 -5.686 1.00 0.00 N ATOM 0 H ARG A 17 3.408 24.193 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 17 4.316 25.919 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.224 27.991 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.417 26.710 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.987 26.639 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.542 27.291 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.262 25.258 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.996 24.637 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 17 3.414 23.318 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.961 26.415 -5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.612 25.741 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.826 22.596 -5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.998 23.665 -6.388 1.00 0.00 H new ATOM 262 N GLU A 18 1.838 26.369 0.869 1.00 0.00 N ATOM 263 CA GLU A 18 0.711 26.800 1.683 1.00 0.00 C ATOM 264 C GLU A 18 0.906 26.237 3.102 1.00 0.00 C ATOM 265 O GLU A 18 0.932 26.986 4.081 1.00 0.00 O ATOM 266 CB GLU A 18 -0.544 26.173 1.039 1.00 0.00 C ATOM 267 CG GLU A 18 -1.803 26.301 1.897 1.00 0.00 C ATOM 268 CD GLU A 18 -3.035 25.787 1.144 1.00 0.00 C ATOM 269 OE1 GLU A 18 -2.937 24.686 0.552 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.088 26.468 1.142 1.00 0.00 O ATOM 0 H GLU A 18 2.029 25.378 1.019 1.00 0.00 H new ATOM 0 HA GLU A 18 0.622 27.885 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.722 26.648 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.353 25.118 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.676 25.738 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.952 27.344 2.177 1.00 0.00 H new ATOM 277 N THR A 19 1.069 24.911 3.174 1.00 0.00 N ATOM 278 CA THR A 19 1.290 24.218 4.451 1.00 0.00 C ATOM 279 C THR A 19 2.758 23.934 4.806 1.00 0.00 C ATOM 280 O THR A 19 3.621 23.977 3.926 1.00 0.00 O ATOM 281 CB THR A 19 0.600 22.855 4.371 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.080 22.601 3.162 1.00 0.00 O ATOM 283 CG2 THR A 19 -0.407 22.767 5.490 1.00 0.00 C ATOM 0 H THR A 19 1.052 24.294 2.362 1.00 0.00 H new ATOM 0 HA THR A 19 0.898 24.888 5.216 1.00 0.00 H new ATOM 0 HB THR A 19 1.395 22.113 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.119 21.634 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.911 21.801 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.103 22.872 6.448 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.142 23.564 5.382 1.00 0.00 H new ATOM 291 N ASN A 20 3.051 23.586 6.081 1.00 0.00 N ATOM 292 CA ASN A 20 4.452 23.460 6.557 1.00 0.00 C ATOM 293 C ASN A 20 4.657 22.560 7.798 1.00 0.00 C ATOM 294 O ASN A 20 3.782 21.761 8.099 1.00 0.00 O ATOM 295 CB ASN A 20 5.071 24.873 6.797 1.00 0.00 C ATOM 296 CG ASN A 20 5.133 25.810 5.599 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.306 26.694 5.427 1.00 0.00 O ATOM 298 ND2 ASN A 20 6.139 25.683 4.762 1.00 0.00 N ATOM 0 H ASN A 20 2.347 23.389 6.792 1.00 0.00 H new ATOM 0 HA ASN A 20 4.976 22.944 5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.499 25.365 7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.084 24.740 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.228 26.321 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.830 24.946 4.903 1.00 0.00 H new ATOM 305 N GLU A 21 5.790 22.683 8.523 1.00 0.00 N ATOM 306 CA GLU A 21 6.095 21.833 9.717 1.00 0.00 C ATOM 307 C GLU A 21 4.926 21.576 10.706 1.00 0.00 C ATOM 308 O GLU A 21 4.890 20.570 11.429 1.00 0.00 O ATOM 309 CB GLU A 21 7.282 22.478 10.462 1.00 0.00 C ATOM 310 CG GLU A 21 7.625 21.867 11.831 1.00 0.00 C ATOM 311 CD GLU A 21 8.884 22.520 12.427 1.00 0.00 C ATOM 312 OE1 GLU A 21 10.013 22.055 12.138 1.00 0.00 O ATOM 313 OE2 GLU A 21 8.754 23.505 13.195 1.00 0.00 O ATOM 0 H GLU A 21 6.518 23.364 8.308 1.00 0.00 H new ATOM 0 HA GLU A 21 6.321 20.841 9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.164 22.414 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.066 23.537 10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.785 21.999 12.513 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.783 20.794 11.725 1.00 0.00 H new ATOM 320 N LYS A 22 3.986 22.529 10.652 1.00 0.00 N ATOM 321 CA LYS A 22 2.831 22.476 11.536 1.00 0.00 C ATOM 322 C LYS A 22 2.036 21.250 11.166 1.00 0.00 C ATOM 323 O LYS A 22 1.832 20.333 11.969 1.00 0.00 O ATOM 324 CB LYS A 22 2.036 23.768 11.312 1.00 0.00 C ATOM 325 CG LYS A 22 0.748 23.761 12.139 1.00 0.00 C ATOM 326 CD LYS A 22 0.952 24.148 13.604 1.00 0.00 C ATOM 327 CE LYS A 22 1.288 25.631 13.775 1.00 0.00 C ATOM 328 NZ LYS A 22 0.105 26.517 13.599 1.00 0.00 N ATOM 0 H LYS A 22 4.007 23.327 10.017 1.00 0.00 H new ATOM 0 HA LYS A 22 3.097 22.407 12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.646 24.628 11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.794 23.873 10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.034 24.449 11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.304 22.766 12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.048 23.916 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.755 23.545 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.711 25.791 14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.055 25.910 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.392 27.509 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.285 26.389 12.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.619 26.273 14.304 1.00 0.00 H new ATOM 342 N MET A 23 1.643 21.286 9.881 1.00 0.00 N ATOM 343 CA MET A 23 0.964 20.174 9.290 1.00 0.00 C ATOM 344 C MET A 23 1.854 18.942 9.489 1.00 0.00 C ATOM 345 O MET A 23 1.321 17.875 9.667 1.00 0.00 O ATOM 346 CB MET A 23 0.684 20.497 7.801 1.00 0.00 C ATOM 347 CG MET A 23 1.678 19.764 6.916 1.00 0.00 C ATOM 348 SD MET A 23 1.707 19.762 5.130 1.00 0.00 S ATOM 349 CE MET A 23 0.121 19.014 4.775 1.00 0.00 C ATOM 0 H MET A 23 1.793 22.077 9.255 1.00 0.00 H new ATOM 0 HA MET A 23 -0.002 19.973 9.752 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.333 20.203 7.541 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.758 21.571 7.633 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.661 20.120 7.224 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.612 18.716 7.208 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.254 18.200 4.062 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.311 18.622 5.696 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.548 19.763 4.351 1.00 0.00 H new ATOM 359 N LEU A 24 3.180 19.051 9.299 1.00 0.00 N ATOM 360 CA LEU A 24 4.054 17.861 9.338 1.00 0.00 C ATOM 361 C LEU A 24 3.894 17.087 10.653 1.00 0.00 C ATOM 362 O LEU A 24 3.295 16.010 10.671 1.00 0.00 O ATOM 363 CB LEU A 24 5.526 18.163 9.026 1.00 0.00 C ATOM 364 CG LEU A 24 5.898 18.152 7.534 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.515 19.422 6.803 1.00 0.00 C ATOM 366 CD2 LEU A 24 7.398 17.984 7.357 1.00 0.00 C ATOM 0 H LEU A 24 3.665 19.931 9.120 1.00 0.00 H new ATOM 0 HA LEU A 24 3.714 17.217 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.774 19.141 9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.147 17.432 9.544 1.00 0.00 H new ATOM 0 HG LEU A 24 5.339 17.317 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.808 19.342 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.437 19.568 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.024 20.271 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.641 17.979 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.917 18.810 7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.714 17.042 7.806 1.00 0.00 H new ATOM 378 N LYS A 25 4.368 17.628 11.784 1.00 0.00 N ATOM 379 CA LYS A 25 4.204 16.964 13.078 1.00 0.00 C ATOM 380 C LYS A 25 2.755 16.644 13.394 1.00 0.00 C ATOM 381 O LYS A 25 2.512 15.594 13.974 1.00 0.00 O ATOM 382 CB LYS A 25 4.796 17.796 14.199 1.00 0.00 C ATOM 383 CG LYS A 25 6.336 17.840 14.080 1.00 0.00 C ATOM 384 CD LYS A 25 7.058 17.300 15.321 1.00 0.00 C ATOM 385 CE LYS A 25 7.097 15.760 15.376 1.00 0.00 C ATOM 386 NZ LYS A 25 7.539 15.246 16.703 1.00 0.00 N ATOM 0 H LYS A 25 4.865 18.518 11.826 1.00 0.00 H new ATOM 0 HA LYS A 25 4.744 16.020 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.393 18.808 14.162 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.511 17.375 15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.643 17.260 13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.650 18.869 13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.078 17.684 15.336 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.562 17.677 16.215 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.106 15.367 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.771 15.389 14.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.388 14.218 16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.549 15.453 16.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.989 15.708 17.455 1.00 0.00 H new ATOM 400 N ALA A 26 1.804 17.479 12.978 1.00 0.00 N ATOM 401 CA ALA A 26 0.393 17.141 13.070 1.00 0.00 C ATOM 402 C ALA A 26 0.058 15.792 12.367 1.00 0.00 C ATOM 403 O ALA A 26 -0.176 14.746 12.982 1.00 0.00 O ATOM 404 CB ALA A 26 -0.389 18.330 12.474 1.00 0.00 C ATOM 0 H ALA A 26 1.991 18.396 12.573 1.00 0.00 H new ATOM 0 HA ALA A 26 0.106 16.983 14.110 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.458 18.123 12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.169 19.233 13.044 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.093 18.476 11.435 1.00 0.00 H new ATOM 410 N VAL A 27 0.131 15.864 11.040 1.00 0.00 N ATOM 411 CA VAL A 27 -0.288 14.782 10.144 1.00 0.00 C ATOM 412 C VAL A 27 0.392 13.476 10.478 1.00 0.00 C ATOM 413 O VAL A 27 -0.237 12.465 10.761 1.00 0.00 O ATOM 414 CB VAL A 27 0.109 15.214 8.703 1.00 0.00 C ATOM 415 CG1 VAL A 27 0.268 14.174 7.605 1.00 0.00 C ATOM 416 CG2 VAL A 27 -0.849 16.229 8.138 1.00 0.00 C ATOM 0 H VAL A 27 0.487 16.684 10.548 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.361 14.619 10.245 1.00 0.00 H new ATOM 0 HB VAL A 27 1.112 15.580 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.547 14.668 6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.046 13.464 7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.674 13.644 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.536 16.504 7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.852 15.803 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.854 17.116 8.771 1.00 0.00 H new ATOM 426 N PHE A 28 1.707 13.488 10.379 1.00 0.00 N ATOM 427 CA PHE A 28 2.530 12.374 10.761 1.00 0.00 C ATOM 428 C PHE A 28 2.414 11.952 12.219 1.00 0.00 C ATOM 429 O PHE A 28 2.224 10.776 12.529 1.00 0.00 O ATOM 430 CB PHE A 28 3.945 12.735 10.339 1.00 0.00 C ATOM 431 CG PHE A 28 4.245 12.916 8.852 1.00 0.00 C ATOM 432 CD1 PHE A 28 4.110 14.170 8.221 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.851 11.878 8.132 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.724 14.435 6.990 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.445 12.138 6.887 1.00 0.00 C ATOM 436 CZ PHE A 28 5.440 13.427 6.339 1.00 0.00 C ATOM 0 H PHE A 28 2.234 14.286 10.025 1.00 0.00 H new ATOM 0 HA PHE A 28 2.185 11.473 10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.214 13.662 10.845 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.611 11.960 10.718 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.522 14.941 8.696 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.861 10.876 8.536 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.644 15.416 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.913 11.331 6.343 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.981 13.638 5.428 1.00 0.00 H new ATOM 446 N GLY A 29 2.591 12.906 13.129 1.00 0.00 N ATOM 447 CA GLY A 29 2.403 12.628 14.545 1.00 0.00 C ATOM 448 C GLY A 29 1.057 12.062 14.934 1.00 0.00 C ATOM 449 O GLY A 29 0.937 11.574 16.060 1.00 0.00 O ATOM 0 H GLY A 29 2.861 13.866 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.175 11.928 14.864 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.561 13.552 15.101 1.00 0.00 H new ATOM 453 N LYS A 30 0.044 12.134 14.051 1.00 0.00 N ATOM 454 CA LYS A 30 -1.286 11.569 14.352 1.00 0.00 C ATOM 455 C LYS A 30 -1.193 10.148 14.919 1.00 0.00 C ATOM 456 O LYS A 30 -1.884 9.809 15.883 1.00 0.00 O ATOM 457 CB LYS A 30 -2.188 11.545 13.122 1.00 0.00 C ATOM 458 CG LYS A 30 -2.701 12.943 12.771 1.00 0.00 C ATOM 459 CD LYS A 30 -4.216 13.043 12.848 1.00 0.00 C ATOM 460 CE LYS A 30 -4.557 14.463 12.385 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.778 15.000 13.043 1.00 0.00 N ATOM 0 H LYS A 30 0.118 12.572 13.133 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.721 12.227 15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.638 11.136 12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.034 10.882 13.303 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.257 13.671 13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.373 13.205 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.691 12.298 12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.570 12.866 13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.715 15.122 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.700 14.465 11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.965 15.962 12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.589 14.388 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.635 15.026 14.073 1.00 0.00 H new ATOM 475 N HIS A 31 -0.280 9.365 14.335 1.00 0.00 N ATOM 476 CA HIS A 31 -0.027 7.989 14.782 1.00 0.00 C ATOM 477 C HIS A 31 1.460 7.593 15.002 1.00 0.00 C ATOM 478 O HIS A 31 1.756 6.394 15.042 1.00 0.00 O ATOM 479 CB HIS A 31 -0.808 7.036 13.845 1.00 0.00 C ATOM 480 CG HIS A 31 -2.117 6.533 14.411 1.00 0.00 C ATOM 481 ND1 HIS A 31 -2.895 7.148 15.368 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.785 5.404 14.021 1.00 0.00 C ATOM 483 CE1 HIS A 31 -3.996 6.405 15.560 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.973 5.319 14.764 1.00 0.00 N ATOM 0 H HIS A 31 0.299 9.661 13.549 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.399 7.901 15.803 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.007 7.553 12.906 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.176 6.180 13.609 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.672 8.020 15.849 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.455 4.700 13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.788 6.644 16.254 1.00 0.00 H new ATOM 492 N GLY A 32 2.409 8.525 15.219 1.00 0.00 N ATOM 493 CA GLY A 32 3.759 8.160 15.632 1.00 0.00 C ATOM 494 C GLY A 32 4.552 9.276 16.337 1.00 0.00 C ATOM 495 O GLY A 32 4.046 10.380 16.540 1.00 0.00 O ATOM 0 H GLY A 32 2.257 9.528 15.113 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.698 7.301 16.301 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.317 7.840 14.752 1.00 0.00 H new ATOM 499 N PRO A 33 5.804 8.973 16.725 1.00 0.00 N ATOM 500 CA PRO A 33 6.701 9.859 17.462 1.00 0.00 C ATOM 501 C PRO A 33 7.313 11.000 16.623 1.00 0.00 C ATOM 502 O PRO A 33 7.043 12.175 16.895 1.00 0.00 O ATOM 503 CB PRO A 33 7.794 8.923 18.016 1.00 0.00 C ATOM 504 CG PRO A 33 7.799 7.722 17.063 1.00 0.00 C ATOM 505 CD PRO A 33 6.339 7.632 16.646 1.00 0.00 C ATOM 0 HA PRO A 33 6.149 10.392 18.236 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.765 9.417 18.035 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.572 8.616 19.038 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.457 7.884 16.209 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.137 6.812 17.558 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.249 7.238 15.634 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.790 6.956 17.302 1.00 0.00 H new ATOM 513 N ILE A 34 8.194 10.643 15.670 1.00 0.00 N ATOM 514 CA ILE A 34 8.805 11.612 14.739 1.00 0.00 C ATOM 515 C ILE A 34 10.113 12.187 15.304 1.00 0.00 C ATOM 516 O ILE A 34 10.081 13.013 16.221 1.00 0.00 O ATOM 517 CB ILE A 34 7.877 12.617 14.024 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.843 11.972 13.096 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.779 13.537 13.183 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.642 11.467 13.881 1.00 0.00 C ATOM 0 H ILE A 34 8.501 9.681 15.523 1.00 0.00 H new ATOM 0 HA ILE A 34 9.071 11.012 13.869 1.00 0.00 H new ATOM 0 HB ILE A 34 7.308 13.144 14.790 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.516 12.697 12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.302 11.144 12.555 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.164 14.267 12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.480 14.056 13.837 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.333 12.940 12.458 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.924 11.014 13.197 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.969 10.724 14.608 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.171 12.301 14.401 1.00 0.00 H new ATOM 532 N SER A 35 11.252 11.734 14.785 1.00 0.00 N ATOM 533 CA SER A 35 12.593 12.162 15.173 1.00 0.00 C ATOM 534 C SER A 35 13.262 13.048 14.122 1.00 0.00 C ATOM 535 O SER A 35 14.272 13.681 14.441 1.00 0.00 O ATOM 536 CB SER A 35 13.456 10.932 15.443 1.00 0.00 C ATOM 537 OG SER A 35 13.412 10.015 14.357 1.00 0.00 O ATOM 0 H SER A 35 11.265 11.027 14.050 1.00 0.00 H new ATOM 0 HA SER A 35 12.495 12.766 16.075 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.487 11.241 15.618 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.113 10.438 16.352 1.00 0.00 H new ATOM 0 HG SER A 35 13.976 9.240 14.560 1.00 0.00 H new ATOM 543 N GLU A 36 12.699 13.170 12.908 1.00 0.00 N ATOM 544 CA GLU A 36 13.199 14.142 11.916 1.00 0.00 C ATOM 545 C GLU A 36 12.098 14.718 11.032 1.00 0.00 C ATOM 546 O GLU A 36 11.149 14.013 10.701 1.00 0.00 O ATOM 547 CB GLU A 36 14.235 13.542 10.956 1.00 0.00 C ATOM 548 CG GLU A 36 15.487 12.946 11.598 1.00 0.00 C ATOM 549 CD GLU A 36 16.499 12.498 10.523 1.00 0.00 C ATOM 550 OE1 GLU A 36 16.135 11.677 9.645 1.00 0.00 O ATOM 551 OE2 GLU A 36 17.665 12.964 10.549 1.00 0.00 O ATOM 0 H GLU A 36 11.905 12.614 12.590 1.00 0.00 H new ATOM 0 HA GLU A 36 13.646 14.921 12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.747 12.763 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.545 14.320 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.950 13.683 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.211 12.095 12.220 1.00 0.00 H new ATOM 558 N VAL A 37 12.274 15.970 10.592 1.00 0.00 N ATOM 559 CA VAL A 37 11.284 16.773 9.852 1.00 0.00 C ATOM 560 C VAL A 37 11.965 17.475 8.665 1.00 0.00 C ATOM 561 O VAL A 37 12.962 18.179 8.844 1.00 0.00 O ATOM 562 CB VAL A 37 10.636 17.805 10.805 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.494 18.573 10.132 1.00 0.00 C ATOM 564 CG2 VAL A 37 10.063 17.151 12.073 1.00 0.00 C ATOM 0 H VAL A 37 13.146 16.476 10.747 1.00 0.00 H new ATOM 0 HA VAL A 37 10.501 16.122 9.462 1.00 0.00 H new ATOM 0 HB VAL A 37 11.443 18.487 11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.069 19.286 10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.878 19.108 9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.722 17.872 9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.620 17.917 12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.300 16.424 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.863 16.647 12.616 1.00 0.00 H new ATOM 574 N LEU A 38 11.443 17.268 7.452 1.00 0.00 N ATOM 575 CA LEU A 38 12.005 17.706 6.167 1.00 0.00 C ATOM 576 C LEU A 38 10.938 18.322 5.246 1.00 0.00 C ATOM 577 O LEU A 38 9.855 17.768 5.070 1.00 0.00 O ATOM 578 CB LEU A 38 12.657 16.518 5.437 1.00 0.00 C ATOM 579 CG LEU A 38 13.495 16.894 4.206 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.751 17.658 4.573 1.00 0.00 C ATOM 581 CD2 LEU A 38 14.038 15.649 3.529 1.00 0.00 C ATOM 0 H LEU A 38 10.566 16.761 7.332 1.00 0.00 H new ATOM 0 HA LEU A 38 12.749 18.470 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.294 15.983 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.873 15.827 5.127 1.00 0.00 H new ATOM 0 HG LEU A 38 12.823 17.482 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.308 17.900 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.479 18.579 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.371 17.046 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.629 15.936 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.667 15.099 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.209 15.016 3.212 1.00 0.00 H new ATOM 593 N LEU A 39 11.275 19.444 4.618 1.00 0.00 N ATOM 594 CA LEU A 39 10.515 20.089 3.546 1.00 0.00 C ATOM 595 C LEU A 39 11.441 20.226 2.321 1.00 0.00 C ATOM 596 O LEU A 39 12.592 20.646 2.472 1.00 0.00 O ATOM 597 CB LEU A 39 10.006 21.458 4.062 1.00 0.00 C ATOM 598 CG LEU A 39 8.554 21.830 3.726 1.00 0.00 C ATOM 599 CD1 LEU A 39 8.237 21.787 2.234 1.00 0.00 C ATOM 600 CD2 LEU A 39 7.580 20.922 4.468 1.00 0.00 C ATOM 0 H LEU A 39 12.126 19.955 4.852 1.00 0.00 H new ATOM 0 HA LEU A 39 9.645 19.504 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.119 21.475 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.657 22.235 3.661 1.00 0.00 H new ATOM 0 HG LEU A 39 8.436 22.864 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.194 22.061 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.881 22.489 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.409 20.780 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.557 21.202 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.754 19.886 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.731 21.027 5.542 1.00 0.00 H new ATOM 612 N ILE A 40 10.964 19.860 1.128 1.00 0.00 N ATOM 613 CA ILE A 40 11.822 19.740 -0.051 1.00 0.00 C ATOM 614 C ILE A 40 11.571 20.944 -0.967 1.00 0.00 C ATOM 615 O ILE A 40 10.393 21.232 -1.241 1.00 0.00 O ATOM 616 CB ILE A 40 11.488 18.436 -0.796 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.694 17.153 0.042 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.297 18.417 -2.100 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.114 16.880 0.530 1.00 0.00 C ATOM 0 H ILE A 40 9.983 19.641 0.954 1.00 0.00 H new ATOM 0 HA ILE A 40 12.870 19.719 0.248 1.00 0.00 H new ATOM 0 HB ILE A 40 10.419 18.429 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.038 17.204 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.368 16.300 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.079 17.501 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.026 19.279 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.361 18.457 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.129 15.954 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.781 16.786 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.447 17.704 1.161 1.00 0.00 H new ATOM 631 N LYS A 41 12.708 21.540 -1.402 1.00 0.00 N ATOM 632 CA LYS A 41 12.733 22.801 -2.172 1.00 0.00 C ATOM 633 C LYS A 41 13.719 22.664 -3.372 1.00 0.00 C ATOM 634 O LYS A 41 13.774 21.613 -4.010 1.00 0.00 O ATOM 635 CB LYS A 41 13.133 23.960 -1.221 1.00 0.00 C ATOM 636 CG LYS A 41 12.378 24.017 0.119 1.00 0.00 C ATOM 637 CD LYS A 41 12.775 25.263 0.919 1.00 0.00 C ATOM 638 CE LYS A 41 12.058 25.256 2.274 1.00 0.00 C ATOM 639 NZ LYS A 41 12.408 26.454 3.082 1.00 0.00 N ATOM 0 H LYS A 41 13.636 21.155 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 41 11.748 23.020 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.200 23.882 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.979 24.904 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.304 24.025 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.595 23.122 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.855 25.283 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.513 26.163 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.980 25.225 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.326 24.354 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.906 26.418 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.434 26.470 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.129 27.314 2.567 1.00 0.00 H new ATOM 653 N ASP A 42 14.492 23.711 -3.682 1.00 0.00 N ATOM 654 CA ASP A 42 15.343 23.908 -4.884 1.00 0.00 C ATOM 655 C ASP A 42 16.226 25.152 -4.642 1.00 0.00 C ATOM 656 O ASP A 42 15.733 26.079 -4.010 1.00 0.00 O ATOM 657 CB ASP A 42 14.482 24.100 -6.153 1.00 0.00 C ATOM 658 CG ASP A 42 13.168 24.926 -6.071 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.509 24.990 -5.005 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.795 25.548 -7.093 1.00 0.00 O ATOM 0 H ASP A 42 14.551 24.513 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 42 15.961 23.025 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.114 24.567 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.221 23.109 -6.524 1.00 0.00 H new ATOM 665 N ARG A 43 17.512 25.224 -5.052 1.00 0.00 N ATOM 666 CA ARG A 43 18.505 26.296 -4.693 1.00 0.00 C ATOM 667 C ARG A 43 18.685 26.545 -3.196 1.00 0.00 C ATOM 668 O ARG A 43 19.424 27.453 -2.857 1.00 0.00 O ATOM 669 CB ARG A 43 18.159 27.617 -5.435 1.00 0.00 C ATOM 670 CG ARG A 43 18.963 28.942 -5.267 1.00 0.00 C ATOM 671 CD ARG A 43 18.207 30.149 -4.641 1.00 0.00 C ATOM 672 NE ARG A 43 18.414 30.176 -3.177 1.00 0.00 N ATOM 673 CZ ARG A 43 17.935 31.059 -2.321 1.00 0.00 C ATOM 674 NH1 ARG A 43 16.975 31.878 -2.622 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.399 31.176 -1.114 1.00 0.00 N ATOM 0 H ARG A 43 17.916 24.517 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 43 19.471 25.916 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.175 27.383 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.126 27.851 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.837 28.733 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.330 29.243 -6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.563 31.080 -5.083 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.143 30.076 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 43 18.990 29.431 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.559 31.856 -3.553 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.636 32.544 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.159 30.573 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.003 31.871 -0.481 1.00 0.00 H new ATOM 689 N THR A 44 17.981 25.809 -2.330 1.00 0.00 N ATOM 690 CA THR A 44 17.871 26.198 -0.911 1.00 0.00 C ATOM 691 C THR A 44 16.878 27.369 -0.724 1.00 0.00 C ATOM 692 O THR A 44 16.685 27.809 0.407 1.00 0.00 O ATOM 693 CB THR A 44 19.211 26.244 -0.136 1.00 0.00 C ATOM 694 OG1 THR A 44 18.990 25.875 1.211 1.00 0.00 O ATOM 695 CG2 THR A 44 19.979 27.569 -0.166 1.00 0.00 C ATOM 0 H THR A 44 17.484 24.953 -2.576 1.00 0.00 H new ATOM 0 HA THR A 44 17.402 25.373 -0.374 1.00 0.00 H new ATOM 0 HB THR A 44 19.850 25.539 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.190 26.329 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.897 27.470 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.225 27.824 -1.197 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.362 28.357 0.265 1.00 0.00 H new ATOM 703 N SER A 45 16.263 27.778 -1.867 1.00 0.00 N ATOM 704 CA SER A 45 15.043 28.622 -1.889 1.00 0.00 C ATOM 705 C SER A 45 14.622 29.273 -3.246 1.00 0.00 C ATOM 706 O SER A 45 14.076 30.378 -3.281 1.00 0.00 O ATOM 707 CB SER A 45 14.734 29.446 -0.624 1.00 0.00 C ATOM 708 OG SER A 45 13.498 30.138 -0.655 1.00 0.00 O ATOM 0 H SER A 45 16.601 27.530 -2.797 1.00 0.00 H new ATOM 0 HA SER A 45 14.306 27.822 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.740 28.779 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.536 30.169 -0.473 1.00 0.00 H new ATOM 0 HG SER A 45 13.351 30.506 -1.551 1.00 0.00 H new ATOM 714 N LYS A 46 14.888 28.622 -4.398 1.00 0.00 N ATOM 715 CA LYS A 46 14.114 28.883 -5.654 1.00 0.00 C ATOM 716 C LYS A 46 12.593 28.719 -5.272 1.00 0.00 C ATOM 717 O LYS A 46 11.774 29.559 -5.648 1.00 0.00 O ATOM 718 CB LYS A 46 14.562 27.957 -6.799 1.00 0.00 C ATOM 719 CG LYS A 46 15.743 28.426 -7.685 1.00 0.00 C ATOM 720 CD LYS A 46 16.328 27.201 -8.431 1.00 0.00 C ATOM 721 CE LYS A 46 17.443 27.416 -9.485 1.00 0.00 C ATOM 722 NZ LYS A 46 18.846 27.422 -8.987 1.00 0.00 N ATOM 0 H LYS A 46 15.621 27.919 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 46 14.293 29.887 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.830 26.993 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.703 27.787 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.404 29.176 -8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.511 28.896 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.716 26.514 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.501 26.695 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.353 26.634 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.257 28.365 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.498 27.540 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.974 28.208 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.048 26.522 -8.506 1.00 0.00 H new ATOM 736 N SER A 47 12.308 27.709 -4.410 1.00 0.00 N ATOM 737 CA SER A 47 11.071 27.654 -3.601 1.00 0.00 C ATOM 738 C SER A 47 9.790 26.960 -4.095 1.00 0.00 C ATOM 739 O SER A 47 8.904 27.576 -4.698 1.00 0.00 O ATOM 740 CB SER A 47 10.742 28.993 -2.922 1.00 0.00 C ATOM 741 OG SER A 47 9.934 28.762 -1.777 1.00 0.00 O ATOM 0 H SER A 47 12.930 26.914 -4.259 1.00 0.00 H new ATOM 0 HA SER A 47 11.419 26.898 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.662 29.501 -2.633 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.221 29.648 -3.621 1.00 0.00 H new ATOM 0 HG SER A 47 9.727 29.617 -1.345 1.00 0.00 H new ATOM 747 N ARG A 48 9.682 25.654 -3.770 1.00 0.00 N ATOM 748 CA ARG A 48 8.469 24.836 -3.772 1.00 0.00 C ATOM 749 C ARG A 48 8.542 23.882 -2.567 1.00 0.00 C ATOM 750 O ARG A 48 9.466 23.991 -1.765 1.00 0.00 O ATOM 751 CB ARG A 48 8.085 24.327 -5.155 1.00 0.00 C ATOM 752 CG ARG A 48 9.099 23.509 -5.896 1.00 0.00 C ATOM 753 CD ARG A 48 9.393 22.214 -5.180 1.00 0.00 C ATOM 754 NE ARG A 48 8.363 21.185 -5.412 1.00 0.00 N ATOM 755 CZ ARG A 48 8.412 20.133 -6.208 1.00 0.00 C ATOM 756 NH1 ARG A 48 9.480 19.777 -6.859 1.00 0.00 N ATOM 757 NH2 ARG A 48 7.344 19.414 -6.358 1.00 0.00 N ATOM 0 H ARG A 48 10.499 25.116 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 48 7.561 25.411 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.179 23.729 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.831 25.189 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.733 23.296 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.020 24.082 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.360 21.834 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.473 22.406 -4.110 1.00 0.00 H new ATOM 0 HE ARG A 48 7.496 21.302 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.338 20.321 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.460 18.954 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.487 19.665 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.361 18.597 -6.969 1.00 0.00 H new ATOM 771 N GLY A 49 7.523 23.058 -2.372 1.00 0.00 N ATOM 772 CA GLY A 49 7.312 22.269 -1.140 1.00 0.00 C ATOM 773 C GLY A 49 6.901 20.793 -1.255 1.00 0.00 C ATOM 774 O GLY A 49 5.845 20.508 -1.811 1.00 0.00 O ATOM 0 H GLY A 49 6.798 22.907 -3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.236 22.308 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.548 22.777 -0.552 1.00 0.00 H new ATOM 778 N PHE A 50 7.729 19.857 -0.777 1.00 0.00 N ATOM 779 CA PHE A 50 7.278 18.449 -0.505 1.00 0.00 C ATOM 780 C PHE A 50 7.772 17.855 0.818 1.00 0.00 C ATOM 781 O PHE A 50 8.882 18.163 1.209 1.00 0.00 O ATOM 782 CB PHE A 50 7.229 17.550 -1.714 1.00 0.00 C ATOM 783 CG PHE A 50 8.456 17.135 -2.435 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.004 18.007 -3.385 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.906 15.819 -2.310 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.074 17.582 -4.182 1.00 0.00 C ATOM 787 CE2 PHE A 50 10.028 15.423 -3.050 1.00 0.00 C ATOM 788 CZ PHE A 50 10.605 16.293 -3.992 1.00 0.00 C ATOM 0 H PHE A 50 8.712 20.028 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 50 6.213 18.535 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.721 16.636 -1.406 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.586 18.041 -2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.603 19.003 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.401 15.122 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.487 18.237 -4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.453 14.442 -2.896 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.458 15.971 -4.571 1.00 0.00 H new ATOM 798 N ALA A 51 6.983 17.107 1.591 1.00 0.00 N ATOM 799 CA ALA A 51 7.343 16.778 2.975 1.00 0.00 C ATOM 800 C ALA A 51 7.830 15.363 3.195 1.00 0.00 C ATOM 801 O ALA A 51 7.287 14.395 2.674 1.00 0.00 O ATOM 802 CB ALA A 51 6.172 17.115 3.886 1.00 0.00 C ATOM 0 H ALA A 51 6.092 16.717 1.285 1.00 0.00 H new ATOM 0 HA ALA A 51 8.210 17.391 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.432 16.873 4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.945 18.178 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.299 16.535 3.586 1.00 0.00 H new ATOM 808 N PHE A 52 8.902 15.282 3.971 1.00 0.00 N ATOM 809 CA PHE A 52 9.532 14.054 4.395 1.00 0.00 C ATOM 810 C PHE A 52 9.639 14.020 5.931 1.00 0.00 C ATOM 811 O PHE A 52 10.013 15.018 6.542 1.00 0.00 O ATOM 812 CB PHE A 52 10.859 13.930 3.702 1.00 0.00 C ATOM 813 CG PHE A 52 10.753 13.258 2.359 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.390 11.912 2.198 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.958 14.067 1.248 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.210 11.404 0.896 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.799 13.560 -0.048 1.00 0.00 C ATOM 818 CZ PHE A 52 10.402 12.228 -0.225 1.00 0.00 C ATOM 0 H PHE A 52 9.372 16.111 4.335 1.00 0.00 H new ATOM 0 HA PHE A 52 8.932 13.188 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.291 14.922 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.543 13.363 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.251 11.275 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.243 15.099 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.922 10.372 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.981 14.191 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.244 11.837 -1.219 1.00 0.00 H new ATOM 828 N ILE A 53 9.312 12.909 6.589 1.00 0.00 N ATOM 829 CA ILE A 53 9.440 12.771 8.053 1.00 0.00 C ATOM 830 C ILE A 53 10.074 11.425 8.411 1.00 0.00 C ATOM 831 O ILE A 53 9.727 10.405 7.809 1.00 0.00 O ATOM 832 CB ILE A 53 8.111 13.098 8.783 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.160 14.455 9.515 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.677 11.978 9.733 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.847 14.968 10.110 1.00 0.00 C ATOM 0 H ILE A 53 8.950 12.074 6.129 1.00 0.00 H new ATOM 0 HA ILE A 53 10.133 13.524 8.429 1.00 0.00 H new ATOM 0 HB ILE A 53 7.354 13.176 8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.891 14.380 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.531 15.204 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.742 12.255 10.219 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.533 11.057 9.168 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.447 11.823 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.018 15.929 10.596 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.110 15.089 9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.476 14.252 10.843 1.00 0.00 H new ATOM 847 N THR A 54 11.025 11.419 9.350 1.00 0.00 N ATOM 848 CA THR A 54 11.591 10.171 9.886 1.00 0.00 C ATOM 849 C THR A 54 11.017 9.921 11.274 1.00 0.00 C ATOM 850 O THR A 54 10.999 10.816 12.130 1.00 0.00 O ATOM 851 CB THR A 54 13.122 10.181 10.023 1.00 0.00 C ATOM 852 OG1 THR A 54 13.734 10.758 8.897 1.00 0.00 O ATOM 853 CG2 THR A 54 13.697 8.770 10.152 1.00 0.00 C ATOM 0 H THR A 54 11.422 12.266 9.758 1.00 0.00 H new ATOM 0 HA THR A 54 11.327 9.393 9.169 1.00 0.00 H new ATOM 0 HB THR A 54 13.328 10.760 10.923 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.689 10.886 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.781 8.826 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.280 8.287 11.036 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.440 8.190 9.266 1.00 0.00 H new ATOM 861 N PHE A 55 10.565 8.682 11.472 1.00 0.00 N ATOM 862 CA PHE A 55 9.939 8.156 12.678 1.00 0.00 C ATOM 863 C PHE A 55 10.922 7.257 13.440 1.00 0.00 C ATOM 864 O PHE A 55 11.547 6.378 12.843 1.00 0.00 O ATOM 865 CB PHE A 55 8.747 7.281 12.259 1.00 0.00 C ATOM 866 CG PHE A 55 7.528 8.014 11.746 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.373 8.312 10.379 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.498 8.334 12.646 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.205 8.947 9.940 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.312 8.926 12.187 1.00 0.00 C ATOM 871 CZ PHE A 55 5.168 9.247 10.834 1.00 0.00 C ATOM 0 H PHE A 55 10.633 7.974 10.741 1.00 0.00 H new ATOM 0 HA PHE A 55 9.630 8.988 13.311 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.084 6.592 11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.448 6.677 13.115 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.149 8.053 9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.620 8.123 13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.102 9.209 8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.510 9.134 12.879 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.265 9.722 10.480 1.00 0.00 H new ATOM 881 N GLU A 56 10.994 7.434 14.765 1.00 0.00 N ATOM 882 CA GLU A 56 11.724 6.498 15.646 1.00 0.00 C ATOM 883 C GLU A 56 11.503 4.988 15.362 1.00 0.00 C ATOM 884 O GLU A 56 12.442 4.212 15.549 1.00 0.00 O ATOM 885 CB GLU A 56 11.438 6.823 17.124 1.00 0.00 C ATOM 886 CG GLU A 56 11.788 8.275 17.501 1.00 0.00 C ATOM 887 CD GLU A 56 11.731 8.523 19.026 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.348 7.756 19.805 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.100 9.517 19.460 1.00 0.00 O ATOM 0 H GLU A 56 10.558 8.215 15.256 1.00 0.00 H new ATOM 0 HA GLU A 56 12.776 6.663 15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.383 6.644 17.332 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.008 6.142 17.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.787 8.511 17.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.097 8.953 17.000 1.00 0.00 H new ATOM 896 N ASN A 57 10.326 4.567 14.858 1.00 0.00 N ATOM 897 CA ASN A 57 10.144 3.203 14.322 1.00 0.00 C ATOM 898 C ASN A 57 9.409 3.223 12.961 1.00 0.00 C ATOM 899 O ASN A 57 8.508 4.042 12.752 1.00 0.00 O ATOM 900 CB ASN A 57 9.370 2.305 15.303 1.00 0.00 C ATOM 901 CG ASN A 57 9.820 2.391 16.751 1.00 0.00 C ATOM 902 OD1 ASN A 57 10.815 1.807 17.158 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.076 3.083 17.580 1.00 0.00 N ATOM 0 H ASN A 57 9.490 5.149 14.811 1.00 0.00 H new ATOM 0 HA ASN A 57 11.143 2.791 14.181 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.313 2.565 15.252 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.460 1.270 14.972 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.326 3.136 18.567 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.247 3.569 17.237 1.00 0.00 H new ATOM 910 N PRO A 58 9.707 2.268 12.062 1.00 0.00 N ATOM 911 CA PRO A 58 9.044 2.124 10.759 1.00 0.00 C ATOM 912 C PRO A 58 7.566 1.765 10.900 1.00 0.00 C ATOM 913 O PRO A 58 6.724 2.267 10.148 1.00 0.00 O ATOM 914 CB PRO A 58 9.830 1.036 10.029 1.00 0.00 C ATOM 915 CG PRO A 58 10.418 0.198 11.164 1.00 0.00 C ATOM 916 CD PRO A 58 10.682 1.210 12.263 1.00 0.00 C ATOM 0 HA PRO A 58 9.046 3.063 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.185 0.440 9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.610 1.460 9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.723 -0.576 11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.334 -0.306 10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.571 0.757 13.248 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.699 1.598 12.203 1.00 0.00 H new ATOM 924 N ALA A 59 7.275 0.959 11.925 1.00 0.00 N ATOM 925 CA ALA A 59 5.914 0.719 12.377 1.00 0.00 C ATOM 926 C ALA A 59 5.073 1.988 12.381 1.00 0.00 C ATOM 927 O ALA A 59 4.027 2.077 11.747 1.00 0.00 O ATOM 928 CB ALA A 59 6.026 0.229 13.832 1.00 0.00 C ATOM 0 H ALA A 59 7.982 0.457 12.461 1.00 0.00 H new ATOM 0 HA ALA A 59 5.435 0.004 11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.030 0.031 14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.617 -0.686 13.863 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.511 0.995 14.437 1.00 0.00 H new ATOM 934 N ASP A 60 5.557 2.939 13.169 1.00 0.00 N ATOM 935 CA ASP A 60 4.876 4.190 13.380 1.00 0.00 C ATOM 936 C ASP A 60 4.688 5.036 12.117 1.00 0.00 C ATOM 937 O ASP A 60 3.664 5.696 11.945 1.00 0.00 O ATOM 938 CB ASP A 60 5.605 4.930 14.476 1.00 0.00 C ATOM 939 CG ASP A 60 5.744 4.181 15.810 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.766 3.544 16.270 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.832 4.269 16.420 1.00 0.00 O ATOM 0 H ASP A 60 6.437 2.855 13.678 1.00 0.00 H new ATOM 0 HA ASP A 60 3.851 3.976 13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.603 5.182 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.086 5.870 14.661 1.00 0.00 H new ATOM 946 N ALA A 61 5.684 5.001 11.229 1.00 0.00 N ATOM 947 CA ALA A 61 5.546 5.588 9.896 1.00 0.00 C ATOM 948 C ALA A 61 4.334 5.008 9.166 1.00 0.00 C ATOM 949 O ALA A 61 3.450 5.727 8.703 1.00 0.00 O ATOM 950 CB ALA A 61 6.874 5.380 9.150 1.00 0.00 C ATOM 0 H ALA A 61 6.592 4.573 11.409 1.00 0.00 H new ATOM 0 HA ALA A 61 5.352 6.659 9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.801 5.809 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.679 5.870 9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.085 4.313 9.073 1.00 0.00 H new ATOM 956 N LYS A 62 4.309 3.683 9.062 1.00 0.00 N ATOM 957 CA LYS A 62 3.205 2.918 8.454 1.00 0.00 C ATOM 958 C LYS A 62 1.847 3.208 9.095 1.00 0.00 C ATOM 959 O LYS A 62 0.840 3.376 8.421 1.00 0.00 O ATOM 960 CB LYS A 62 3.569 1.427 8.426 1.00 0.00 C ATOM 961 CG LYS A 62 3.174 0.781 7.088 1.00 0.00 C ATOM 962 CD LYS A 62 3.870 -0.580 6.936 1.00 0.00 C ATOM 963 CE LYS A 62 3.678 -1.232 5.560 1.00 0.00 C ATOM 964 NZ LYS A 62 4.182 -0.379 4.451 1.00 0.00 N ATOM 0 H LYS A 62 5.067 3.091 9.402 1.00 0.00 H new ATOM 0 HA LYS A 62 3.081 3.251 7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.641 1.309 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.065 0.912 9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.093 0.653 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.453 1.436 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.937 -0.453 7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.492 -1.257 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.195 -2.191 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.619 -1.438 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.553 -0.983 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.405 0.205 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.941 0.238 4.805 1.00 0.00 H new ATOM 978 N ASN A 63 1.844 3.253 10.420 1.00 0.00 N ATOM 979 CA ASN A 63 0.681 3.644 11.195 1.00 0.00 C ATOM 980 C ASN A 63 0.124 5.015 10.815 1.00 0.00 C ATOM 981 O ASN A 63 -1.039 5.116 10.438 1.00 0.00 O ATOM 982 CB ASN A 63 1.187 3.609 12.633 1.00 0.00 C ATOM 983 CG ASN A 63 0.151 3.334 13.685 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.825 2.626 13.487 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.384 3.828 14.869 1.00 0.00 N ATOM 0 H ASN A 63 2.657 3.017 10.989 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.164 2.979 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.963 2.847 12.706 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.658 4.566 12.856 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.251 3.625 15.641 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.202 4.418 15.024 1.00 0.00 H new ATOM 992 N ALA A 64 0.963 6.054 10.895 1.00 0.00 N ATOM 993 CA ALA A 64 0.606 7.378 10.403 1.00 0.00 C ATOM 994 C ALA A 64 0.174 7.368 8.924 1.00 0.00 C ATOM 995 O ALA A 64 -0.780 8.045 8.559 1.00 0.00 O ATOM 996 CB ALA A 64 1.759 8.321 10.749 1.00 0.00 C ATOM 0 H ALA A 64 1.898 5.997 11.299 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.291 7.751 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.527 9.325 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.901 8.341 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.673 7.970 10.270 1.00 0.00 H new ATOM 1002 N ALA A 65 0.813 6.565 8.069 1.00 0.00 N ATOM 1003 CA ALA A 65 0.318 6.326 6.713 1.00 0.00 C ATOM 1004 C ALA A 65 -1.128 5.810 6.661 1.00 0.00 C ATOM 1005 O ALA A 65 -1.995 6.448 6.070 1.00 0.00 O ATOM 1006 CB ALA A 65 1.307 5.439 5.943 1.00 0.00 C ATOM 0 H ALA A 65 1.676 6.069 8.294 1.00 0.00 H new ATOM 0 HA ALA A 65 0.265 7.291 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.931 5.266 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.276 5.936 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.417 4.485 6.458 1.00 0.00 H new ATOM 1012 N LYS A 66 -1.372 4.656 7.279 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.651 3.934 7.355 1.00 0.00 C ATOM 1014 C LYS A 66 -3.759 4.807 7.924 1.00 0.00 C ATOM 1015 O LYS A 66 -4.881 4.801 7.424 1.00 0.00 O ATOM 1016 CB LYS A 66 -2.455 2.623 8.139 1.00 0.00 C ATOM 1017 CG LYS A 66 -3.708 1.734 8.251 1.00 0.00 C ATOM 1018 CD LYS A 66 -4.240 1.247 6.893 1.00 0.00 C ATOM 1019 CE LYS A 66 -5.440 0.315 7.103 1.00 0.00 C ATOM 1020 NZ LYS A 66 -5.939 -0.236 5.815 1.00 0.00 N ATOM 0 H LYS A 66 -0.632 4.162 7.777 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.976 3.675 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.662 2.048 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.111 2.867 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.475 0.869 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.494 2.291 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.534 2.100 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.452 0.723 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.154 -0.504 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.242 0.860 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.750 -0.861 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.235 0.545 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.181 -0.777 5.352 1.00 0.00 H new ATOM 1034 N ASP A 67 -3.416 5.573 8.952 1.00 0.00 N ATOM 1035 CA ASP A 67 -4.285 6.634 9.465 1.00 0.00 C ATOM 1036 C ASP A 67 -4.710 7.656 8.400 1.00 0.00 C ATOM 1037 O ASP A 67 -5.888 7.889 8.126 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.484 7.392 10.537 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.356 8.234 11.490 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -5.535 8.520 11.168 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -3.855 8.618 12.568 1.00 0.00 O ATOM 0 H ASP A 67 -2.533 5.480 9.454 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.194 6.164 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.911 6.674 11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.765 8.047 10.044 1.00 0.00 H new ATOM 1046 N MET A 68 -3.660 8.302 7.903 1.00 0.00 N ATOM 1047 CA MET A 68 -3.788 9.530 7.099 1.00 0.00 C ATOM 1048 C MET A 68 -4.317 9.340 5.676 1.00 0.00 C ATOM 1049 O MET A 68 -5.507 9.520 5.438 1.00 0.00 O ATOM 1050 CB MET A 68 -2.526 10.379 7.199 1.00 0.00 C ATOM 1051 CG MET A 68 -2.239 10.872 8.629 1.00 0.00 C ATOM 1052 SD MET A 68 -3.593 11.699 9.520 1.00 0.00 S ATOM 1053 CE MET A 68 -3.548 13.343 8.775 1.00 0.00 C ATOM 0 H MET A 68 -2.696 7.997 8.041 1.00 0.00 H new ATOM 0 HA MET A 68 -4.598 10.101 7.553 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.675 9.797 6.845 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.621 11.240 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.920 10.015 9.222 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.396 11.561 8.584 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.339 14.086 9.545 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.766 13.377 8.016 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.511 13.560 8.314 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.406 9.021 4.741 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.779 8.526 3.403 1.00 0.00 C ATOM 1065 C ASN A 69 -4.736 9.364 2.504 1.00 0.00 C ATOM 1066 O ASN A 69 -5.209 8.874 1.477 1.00 0.00 O ATOM 1067 CB ASN A 69 -4.189 7.055 3.603 1.00 0.00 C ATOM 1068 CG ASN A 69 -5.627 6.841 4.052 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -6.585 6.931 3.297 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.816 6.542 5.312 1.00 0.00 N ATOM 0 H ASN A 69 -2.400 9.098 4.888 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.905 8.639 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.034 6.520 2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.524 6.606 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.761 6.385 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.018 6.466 5.943 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.998 10.622 2.867 1.00 0.00 N ATOM 1078 CA GLY A 70 -6.027 11.504 2.279 1.00 0.00 C ATOM 1079 C GLY A 70 -7.038 12.034 3.288 1.00 0.00 C ATOM 1080 O GLY A 70 -8.184 12.336 2.947 1.00 0.00 O ATOM 0 H GLY A 70 -4.477 11.082 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.535 12.348 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.559 10.957 1.501 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.562 12.162 4.530 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.371 12.681 5.643 1.00 0.00 C ATOM 1086 C LYS A 71 -8.013 14.055 5.378 1.00 0.00 C ATOM 1087 O LYS A 71 -9.170 14.237 5.757 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.425 12.755 6.847 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.131 12.659 8.212 1.00 0.00 C ATOM 1090 CD LYS A 71 -7.386 11.188 8.582 1.00 0.00 C ATOM 1091 CE LYS A 71 -7.997 11.050 9.979 1.00 0.00 C ATOM 1092 NZ LYS A 71 -7.985 9.634 10.431 1.00 0.00 N ATOM 0 H LYS A 71 -5.609 11.911 4.794 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.219 12.016 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.695 11.949 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.871 13.693 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.519 13.133 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.076 13.201 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.054 10.739 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.448 10.635 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.440 11.665 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.021 11.423 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.465 9.559 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.479 9.043 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.002 9.308 10.527 1.00 0.00 H new ATOM 1106 N SER A 72 -7.231 14.958 4.748 1.00 0.00 N ATOM 1107 CA SER A 72 -7.730 16.251 4.213 1.00 0.00 C ATOM 1108 C SER A 72 -7.330 17.394 5.130 1.00 0.00 C ATOM 1109 O SER A 72 -7.449 17.264 6.353 1.00 0.00 O ATOM 1110 CB SER A 72 -9.226 16.306 3.918 1.00 0.00 C ATOM 1111 OG SER A 72 -9.536 17.383 3.052 1.00 0.00 O ATOM 0 H SER A 72 -6.233 14.814 4.594 1.00 0.00 H new ATOM 0 HA SER A 72 -7.249 16.354 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.545 15.367 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.780 16.414 4.851 1.00 0.00 H new ATOM 0 HG SER A 72 -8.712 17.724 2.647 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.824 18.497 4.559 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.174 19.519 5.379 1.00 0.00 C ATOM 1119 C LEU A 73 -6.145 20.956 4.875 1.00 0.00 C ATOM 1120 O LEU A 73 -6.567 21.873 5.585 1.00 0.00 O ATOM 1121 CB LEU A 73 -4.694 19.101 5.522 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.370 18.601 6.928 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -3.754 17.226 6.790 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.395 19.573 7.599 1.00 0.00 C ATOM 0 H LEU A 73 -6.852 18.698 3.559 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.779 19.548 6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.468 18.318 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.054 19.950 5.283 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.266 18.544 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.509 16.836 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.463 16.557 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.846 17.293 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.162 19.219 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.478 19.631 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.851 20.561 7.660 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.587 21.139 3.680 1.00 0.00 N ATOM 1137 CA HIS A 74 -5.120 22.438 3.220 1.00 0.00 C ATOM 1138 C HIS A 74 -5.839 22.858 1.924 1.00 0.00 C ATOM 1139 O HIS A 74 -7.047 23.112 1.973 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.573 22.382 3.264 1.00 0.00 C ATOM 1141 CG HIS A 74 -2.875 21.576 2.208 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.211 22.098 1.130 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.572 20.247 2.269 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.493 21.122 0.566 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -1.687 19.959 1.219 1.00 0.00 N ATOM 0 H HIS A 74 -5.447 20.387 3.005 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.391 23.280 3.857 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.198 23.404 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.279 21.987 4.237 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.257 23.066 0.812 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.947 19.542 2.996 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.849 21.247 -0.292 1.00 0.00 H new ATOM 1153 N GLY A 75 -5.163 22.884 0.772 1.00 0.00 N ATOM 1154 CA GLY A 75 -5.827 23.063 -0.524 1.00 0.00 C ATOM 1155 C GLY A 75 -6.909 22.007 -0.780 1.00 0.00 C ATOM 1156 O GLY A 75 -8.007 22.354 -1.228 1.00 0.00 O ATOM 0 H GLY A 75 -4.150 22.783 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.276 24.056 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.083 23.017 -1.319 1.00 0.00 H new ATOM 1160 N LYS A 76 -6.612 20.743 -0.420 1.00 0.00 N ATOM 1161 CA LYS A 76 -7.621 19.673 -0.405 1.00 0.00 C ATOM 1162 C LYS A 76 -7.028 18.497 0.386 1.00 0.00 C ATOM 1163 O LYS A 76 -6.956 18.563 1.614 1.00 0.00 O ATOM 1164 CB LYS A 76 -8.077 19.303 -1.846 1.00 0.00 C ATOM 1165 CG LYS A 76 -9.267 18.326 -1.911 1.00 0.00 C ATOM 1166 CD LYS A 76 -10.549 18.805 -1.205 1.00 0.00 C ATOM 1167 CE LYS A 76 -11.028 20.163 -1.739 1.00 0.00 C ATOM 1168 NZ LYS A 76 -12.311 20.581 -1.115 1.00 0.00 N ATOM 0 H LYS A 76 -5.680 20.441 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.536 19.997 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.346 20.218 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.233 18.864 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.499 18.131 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.962 17.377 -1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.336 18.064 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.366 18.881 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.267 20.919 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.152 20.105 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.601 21.502 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.044 19.873 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.187 20.661 -0.086 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.514 17.486 -0.315 1.00 0.00 N ATOM 1183 CA ALA A 77 -6.021 16.269 0.317 1.00 0.00 C ATOM 1184 C ALA A 77 -4.487 16.215 0.435 1.00 0.00 C ATOM 1185 O ALA A 77 -3.739 16.830 -0.329 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.562 15.076 -0.485 1.00 0.00 C ATOM 0 H ALA A 77 -6.429 17.490 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.379 16.242 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.210 14.147 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.652 15.094 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.208 15.139 -1.514 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.082 15.363 1.375 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.677 14.964 1.546 1.00 0.00 C ATOM 1194 C ILE A 78 -2.496 13.551 1.001 1.00 0.00 C ATOM 1195 O ILE A 78 -3.361 12.688 1.142 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.233 15.021 3.016 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.131 14.118 3.870 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -2.211 16.488 3.471 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.649 14.061 5.298 1.00 0.00 C ATOM 0 H ILE A 78 -4.717 14.926 2.043 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.053 15.668 0.996 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.221 14.634 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.155 14.490 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.146 13.113 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.897 16.541 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.512 17.050 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.209 16.915 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.306 13.413 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.634 13.665 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.658 15.064 5.725 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.378 13.315 0.338 1.00 0.00 N ATOM 1212 CA LYS A 79 -1.015 11.969 -0.117 1.00 0.00 C ATOM 1213 C LYS A 79 0.072 11.443 0.797 1.00 0.00 C ATOM 1214 O LYS A 79 1.096 12.097 0.958 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.542 12.081 -1.563 1.00 0.00 C ATOM 1216 CG LYS A 79 0.119 10.833 -2.168 1.00 0.00 C ATOM 1217 CD LYS A 79 1.644 10.784 -1.988 1.00 0.00 C ATOM 1218 CE LYS A 79 2.233 9.829 -3.030 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.747 10.559 -4.217 1.00 0.00 N ATOM 0 H LYS A 79 -0.698 14.036 0.098 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.855 11.276 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.399 12.347 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.166 12.907 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.319 9.945 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.112 10.792 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.070 11.780 -2.106 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.895 10.447 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.041 9.253 -2.579 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.470 9.117 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.757 9.922 -5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.132 11.373 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.713 10.894 -4.027 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.154 10.275 1.391 1.00 0.00 N ATOM 1234 CA VAL A 80 0.805 9.645 2.317 1.00 0.00 C ATOM 1235 C VAL A 80 1.367 8.338 1.757 1.00 0.00 C ATOM 1236 O VAL A 80 0.634 7.403 1.441 1.00 0.00 O ATOM 1237 CB VAL A 80 0.231 9.472 3.730 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.339 8.981 4.671 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.368 10.796 4.236 1.00 0.00 C ATOM 0 H VAL A 80 -1.005 9.732 1.249 1.00 0.00 H new ATOM 0 HA VAL A 80 1.644 10.335 2.411 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.569 8.732 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.935 8.857 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.723 8.025 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.148 9.711 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.770 10.654 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.409 11.560 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.168 11.113 3.566 1.00 0.00 H new ATOM 1249 N GLU A 81 2.688 8.319 1.603 1.00 0.00 N ATOM 1250 CA GLU A 81 3.500 7.284 0.952 1.00 0.00 C ATOM 1251 C GLU A 81 4.746 6.952 1.791 1.00 0.00 C ATOM 1252 O GLU A 81 5.266 7.820 2.490 1.00 0.00 O ATOM 1253 CB GLU A 81 3.829 7.747 -0.478 1.00 0.00 C ATOM 1254 CG GLU A 81 4.699 6.795 -1.309 1.00 0.00 C ATOM 1255 CD GLU A 81 4.025 5.428 -1.538 1.00 0.00 C ATOM 1256 OE1 GLU A 81 4.031 4.589 -0.606 1.00 0.00 O ATOM 1257 OE2 GLU A 81 3.490 5.190 -2.647 1.00 0.00 O ATOM 0 H GLU A 81 3.266 9.082 1.955 1.00 0.00 H new ATOM 0 HA GLU A 81 2.944 6.349 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.892 7.910 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.334 8.711 -0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.917 7.255 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.653 6.646 -0.804 1.00 0.00 H new ATOM 1264 N GLN A 82 5.257 5.719 1.746 1.00 0.00 N ATOM 1265 CA GLN A 82 6.446 5.324 2.513 1.00 0.00 C ATOM 1266 C GLN A 82 7.644 5.415 1.554 1.00 0.00 C ATOM 1267 O GLN A 82 7.689 4.790 0.491 1.00 0.00 O ATOM 1268 CB GLN A 82 6.225 3.929 3.124 1.00 0.00 C ATOM 1269 CG GLN A 82 7.413 3.453 3.979 1.00 0.00 C ATOM 1270 CD GLN A 82 6.989 2.462 5.063 1.00 0.00 C ATOM 1271 OE1 GLN A 82 6.335 1.457 4.819 1.00 0.00 O ATOM 1272 NE2 GLN A 82 7.328 2.709 6.310 1.00 0.00 N ATOM 0 H GLN A 82 4.862 4.968 1.180 1.00 0.00 H new ATOM 0 HA GLN A 82 6.643 5.979 3.361 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.325 3.946 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.050 3.211 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.157 2.986 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.891 4.315 4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.873 3.541 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.046 2.068 7.052 1.00 0.00 H new ATOM 1281 N ALA A 83 8.558 6.324 1.911 1.00 0.00 N ATOM 1282 CA ALA A 83 9.620 6.840 1.053 1.00 0.00 C ATOM 1283 C ALA A 83 10.589 5.797 0.466 1.00 0.00 C ATOM 1284 O ALA A 83 10.778 4.698 0.998 1.00 0.00 O ATOM 1285 CB ALA A 83 10.371 7.954 1.799 1.00 0.00 C ATOM 0 H ALA A 83 8.575 6.734 2.845 1.00 0.00 H new ATOM 0 HA ALA A 83 9.120 7.232 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.166 8.345 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.677 8.757 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.803 7.551 2.715 1.00 0.00 H new ATOM 1291 N LYS A 84 11.232 6.220 -0.628 1.00 0.00 N ATOM 1292 CA LYS A 84 12.186 5.380 -1.366 1.00 0.00 C ATOM 1293 C LYS A 84 13.452 6.190 -1.695 1.00 0.00 C ATOM 1294 O LYS A 84 13.699 7.233 -1.080 1.00 0.00 O ATOM 1295 CB LYS A 84 11.460 4.850 -2.628 1.00 0.00 C ATOM 1296 CG LYS A 84 11.937 3.493 -3.163 1.00 0.00 C ATOM 1297 CD LYS A 84 11.827 2.347 -2.155 1.00 0.00 C ATOM 1298 CE LYS A 84 10.405 2.170 -1.599 1.00 0.00 C ATOM 1299 NZ LYS A 84 9.491 1.594 -2.617 1.00 0.00 N ATOM 0 H LYS A 84 11.107 7.151 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 84 12.518 4.528 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.396 4.776 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.569 5.589 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.355 3.240 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.976 3.585 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.143 1.419 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.514 2.530 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.433 1.520 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.020 3.134 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.540 1.488 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.446 2.227 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.846 0.663 -2.915 1.00 0.00 H new ATOM 1313 N LYS A 85 14.257 5.699 -2.643 1.00 0.00 N ATOM 1314 CA LYS A 85 15.432 6.436 -3.135 1.00 0.00 C ATOM 1315 C LYS A 85 15.017 7.697 -3.930 1.00 0.00 C ATOM 1316 O LYS A 85 13.952 7.689 -4.551 1.00 0.00 O ATOM 1317 CB LYS A 85 16.279 5.516 -4.028 1.00 0.00 C ATOM 1318 CG LYS A 85 16.882 4.337 -3.246 1.00 0.00 C ATOM 1319 CD LYS A 85 17.590 3.337 -4.169 1.00 0.00 C ATOM 1320 CE LYS A 85 18.791 3.904 -4.945 1.00 0.00 C ATOM 1321 NZ LYS A 85 19.938 4.236 -4.058 1.00 0.00 N ATOM 0 H LYS A 85 14.118 4.792 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 85 16.016 6.758 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.661 5.132 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.082 6.095 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.591 4.715 -2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.093 3.826 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.930 2.492 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.865 2.950 -4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.112 3.178 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.481 4.800 -5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.721 4.614 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.643 4.949 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.254 3.378 -3.563 1.00 0.00 H new ATOM 1335 N PRO A 86 15.867 8.738 -4.009 1.00 0.00 N ATOM 1336 CA PRO A 86 15.651 9.893 -4.887 1.00 0.00 C ATOM 1337 C PRO A 86 16.096 9.680 -6.349 1.00 0.00 C ATOM 1338 O PRO A 86 15.927 10.572 -7.182 1.00 0.00 O ATOM 1339 CB PRO A 86 16.435 11.020 -4.222 1.00 0.00 C ATOM 1340 CG PRO A 86 17.613 10.309 -3.580 1.00 0.00 C ATOM 1341 CD PRO A 86 17.041 8.951 -3.171 1.00 0.00 C ATOM 0 HA PRO A 86 14.586 10.102 -4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.763 11.763 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.832 11.545 -3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.443 10.200 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.991 10.859 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.775 8.159 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 86 16.772 8.943 -2.115 1.00 0.00 H new