USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.81 K(o=-0.81,f=-1.7!) USER MOD Single : A 27 SER OG : rot 91:sc= 1.21 USER MOD Single : A 31 THR OG1 : rot 78:sc= 0.255 USER MOD Single : A 35 GLN : amide:sc= -5.9 K(o=-5.9,f=-14!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.483 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -92:sc= -0.274 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.57) USER MOD Single : A 85 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.4) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -163:sc= -0.0141 (180deg=-0.607) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 47:sc= 0.397 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 117 N PRO A 12 6.334 15.434 3.769 1.00 0.00 N ATOM 118 CA PRO A 12 5.671 14.270 3.173 1.00 0.00 C ATOM 119 C PRO A 12 5.497 13.129 4.170 1.00 0.00 C ATOM 120 O PRO A 12 6.464 12.674 4.782 1.00 0.00 O ATOM 121 CB PRO A 12 6.623 13.856 2.049 1.00 0.00 C ATOM 122 CG PRO A 12 7.958 14.361 2.477 1.00 0.00 C ATOM 123 CD PRO A 12 7.695 15.630 3.240 1.00 0.00 C ATOM 0 HA PRO A 12 4.663 14.506 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.633 12.774 1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.322 14.291 1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.470 13.629 3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.599 14.549 1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.420 15.775 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.753 16.506 2.595 1.00 0.00 H new ATOM 131 N ARG A 13 4.260 12.671 4.329 1.00 0.00 N ATOM 132 CA ARG A 13 3.959 11.584 5.252 1.00 0.00 C ATOM 133 C ARG A 13 2.819 10.720 4.722 1.00 0.00 C ATOM 134 O ARG A 13 1.696 11.193 4.550 1.00 0.00 O ATOM 135 CB ARG A 13 3.593 12.142 6.629 1.00 0.00 C ATOM 136 CG ARG A 13 3.760 11.137 7.757 1.00 0.00 C ATOM 137 CD ARG A 13 2.486 10.338 7.984 1.00 0.00 C ATOM 138 NE ARG A 13 1.452 11.132 8.642 1.00 0.00 N ATOM 139 CZ ARG A 13 1.516 11.514 9.913 1.00 0.00 C ATOM 140 NH1 ARG A 13 2.560 11.177 10.658 1.00 0.00 N ATOM 141 NH2 ARG A 13 0.535 12.235 10.440 1.00 0.00 N ATOM 0 H ARG A 13 3.449 13.036 3.830 1.00 0.00 H new ATOM 0 HA ARG A 13 4.850 10.963 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.214 13.014 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.559 12.485 6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.580 10.458 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.031 11.660 8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.110 9.975 7.027 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.711 9.461 8.591 1.00 0.00 H new ATOM 0 HE ARG A 13 0.636 11.408 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.316 10.623 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.607 11.471 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.269 12.496 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.585 12.528 11.416 1.00 0.00 H new ATOM 155 N PHE A 14 3.116 9.450 4.465 1.00 0.00 N ATOM 156 CA PHE A 14 2.117 8.520 3.953 1.00 0.00 C ATOM 157 C PHE A 14 0.871 8.520 4.835 1.00 0.00 C ATOM 158 O PHE A 14 0.963 8.393 6.055 1.00 0.00 O ATOM 159 CB PHE A 14 2.698 7.107 3.873 1.00 0.00 C ATOM 160 CG PHE A 14 3.880 6.996 2.953 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.700 6.829 1.589 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.171 7.060 3.451 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.786 6.726 0.740 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.261 6.959 2.607 1.00 0.00 C ATOM 165 CZ PHE A 14 6.068 6.792 1.250 1.00 0.00 C ATOM 0 H PHE A 14 4.041 9.042 4.603 1.00 0.00 H new ATOM 0 HA PHE A 14 1.833 8.846 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.994 6.787 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.920 6.421 3.537 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.700 6.779 1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.328 7.190 4.512 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.632 6.594 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.262 7.011 3.008 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.918 6.713 0.588 1.00 0.00 H new ATOM 175 N GLU A 15 -0.291 8.664 4.206 1.00 0.00 N ATOM 176 CA GLU A 15 -1.555 8.683 4.934 1.00 0.00 C ATOM 177 C GLU A 15 -1.521 7.709 6.108 1.00 0.00 C ATOM 178 O GLU A 15 -1.787 8.085 7.250 1.00 0.00 O ATOM 179 CB GLU A 15 -2.713 8.330 3.998 1.00 0.00 C ATOM 180 CG GLU A 15 -3.160 9.487 3.120 1.00 0.00 C ATOM 181 CD GLU A 15 -3.705 10.652 3.924 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.587 10.424 4.777 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.248 11.792 3.699 1.00 0.00 O ATOM 0 H GLU A 15 -0.384 8.769 3.196 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.706 9.690 5.324 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.414 7.497 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.560 7.989 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.318 9.828 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.926 9.138 2.428 1.00 0.00 H new ATOM 190 N LYS A 16 -1.192 6.454 5.819 1.00 0.00 N ATOM 191 CA LYS A 16 -1.122 5.424 6.849 1.00 0.00 C ATOM 192 C LYS A 16 0.326 5.124 7.220 1.00 0.00 C ATOM 193 O LYS A 16 1.150 4.825 6.356 1.00 0.00 O ATOM 194 CB LYS A 16 -1.812 4.145 6.368 1.00 0.00 C ATOM 195 CG LYS A 16 -3.243 4.362 5.909 1.00 0.00 C ATOM 196 CD LYS A 16 -3.755 3.181 5.101 1.00 0.00 C ATOM 197 CE LYS A 16 -3.175 3.175 3.695 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.055 2.453 2.735 1.00 0.00 N ATOM 0 H LYS A 16 -0.970 6.126 4.879 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.636 5.796 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.236 3.719 5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.805 3.413 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.885 4.516 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.299 5.268 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.494 2.252 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.843 3.220 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.033 4.201 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.191 2.705 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.625 2.471 1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.170 1.467 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.986 2.916 2.701 1.00 0.00 H new ATOM 212 N SER A 17 0.630 5.206 8.512 1.00 0.00 N ATOM 213 CA SER A 17 1.980 4.945 8.998 1.00 0.00 C ATOM 214 C SER A 17 2.482 3.591 8.506 1.00 0.00 C ATOM 215 O SER A 17 3.661 3.430 8.189 1.00 0.00 O ATOM 216 CB SER A 17 2.013 4.990 10.526 1.00 0.00 C ATOM 217 OG SER A 17 1.553 6.240 11.010 1.00 0.00 O ATOM 0 H SER A 17 -0.040 5.451 9.241 1.00 0.00 H new ATOM 0 HA SER A 17 2.637 5.721 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.393 4.190 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.030 4.813 10.876 1.00 0.00 H new ATOM 0 HG SER A 17 1.582 6.242 11.990 1.00 0.00 H new ATOM 223 N VAL A 18 1.578 2.618 8.446 1.00 0.00 N ATOM 224 CA VAL A 18 1.927 1.277 7.993 1.00 0.00 C ATOM 225 C VAL A 18 0.883 0.735 7.023 1.00 0.00 C ATOM 226 O VAL A 18 -0.216 0.355 7.426 1.00 0.00 O ATOM 227 CB VAL A 18 2.065 0.302 9.178 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.574 -1.050 8.701 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.986 0.883 10.241 1.00 0.00 C ATOM 0 H VAL A 18 0.598 2.734 8.706 1.00 0.00 H new ATOM 0 HA VAL A 18 2.887 1.356 7.483 1.00 0.00 H new ATOM 0 HB VAL A 18 1.081 0.156 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.665 -1.725 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.873 -1.469 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.549 -0.926 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.072 0.181 11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.972 1.060 9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.574 1.825 10.604 1.00 0.00 H new ATOM 239 N TYR A 19 1.235 0.704 5.742 1.00 0.00 N ATOM 240 CA TYR A 19 0.327 0.211 4.713 1.00 0.00 C ATOM 241 C TYR A 19 0.232 -1.312 4.755 1.00 0.00 C ATOM 242 O TYR A 19 1.078 -2.012 4.199 1.00 0.00 O ATOM 243 CB TYR A 19 0.796 0.666 3.330 1.00 0.00 C ATOM 244 CG TYR A 19 0.400 2.086 2.994 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.660 3.128 3.876 1.00 0.00 C ATOM 246 CD2 TYR A 19 -0.232 2.386 1.794 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.300 4.427 3.573 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.595 3.682 1.482 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.327 4.699 2.375 1.00 0.00 C ATOM 250 OH TYR A 19 -0.686 5.991 2.069 1.00 0.00 O ATOM 0 H TYR A 19 2.141 1.014 5.392 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.663 0.624 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.881 0.578 3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.384 -0.005 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.152 2.919 4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.443 1.592 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.508 5.225 4.270 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.086 3.898 0.544 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.062 6.614 2.496 1.00 0.00 H new ATOM 260 N GLU A 20 -0.805 -1.815 5.417 1.00 0.00 N ATOM 261 CA GLU A 20 -1.011 -3.254 5.531 1.00 0.00 C ATOM 262 C GLU A 20 -2.003 -3.747 4.481 1.00 0.00 C ATOM 263 O GLU A 20 -3.177 -3.378 4.499 1.00 0.00 O ATOM 264 CB GLU A 20 -1.516 -3.610 6.931 1.00 0.00 C ATOM 265 CG GLU A 20 -1.361 -5.081 7.279 1.00 0.00 C ATOM 266 CD GLU A 20 -1.958 -5.427 8.629 1.00 0.00 C ATOM 267 OE1 GLU A 20 -1.522 -4.836 9.639 1.00 0.00 O ATOM 268 OE2 GLU A 20 -2.860 -6.289 8.676 1.00 0.00 O ATOM 0 H GLU A 20 -1.514 -1.248 5.882 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.053 -3.746 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.976 -3.013 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.568 -3.336 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.840 -5.685 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.303 -5.342 7.276 1.00 0.00 H new ATOM 275 N ALA A 21 -1.521 -4.582 3.566 1.00 0.00 N ATOM 276 CA ALA A 21 -2.364 -5.126 2.509 1.00 0.00 C ATOM 277 C ALA A 21 -2.128 -6.623 2.335 1.00 0.00 C ATOM 278 O ALA A 21 -1.241 -7.199 2.965 1.00 0.00 O ATOM 279 CB ALA A 21 -2.109 -4.394 1.200 1.00 0.00 C ATOM 0 H ALA A 21 -0.551 -4.896 3.536 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.405 -4.979 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.746 -4.811 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.335 -3.335 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.063 -4.511 0.916 1.00 0.00 H new ATOM 285 N ASP A 22 -2.927 -7.247 1.477 1.00 0.00 N ATOM 286 CA ASP A 22 -2.805 -8.677 1.219 1.00 0.00 C ATOM 287 C ASP A 22 -2.302 -8.933 -0.198 1.00 0.00 C ATOM 288 O ASP A 22 -2.917 -8.502 -1.174 1.00 0.00 O ATOM 289 CB ASP A 22 -4.151 -9.372 1.429 1.00 0.00 C ATOM 290 CG ASP A 22 -5.105 -9.147 0.273 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.860 -8.152 0.311 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.096 -9.964 -0.671 1.00 0.00 O ATOM 0 H ASP A 22 -3.667 -6.785 0.948 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.080 -9.087 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.988 -10.442 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.606 -9.005 2.349 1.00 0.00 H new ATOM 297 N LEU A 23 -1.180 -9.636 -0.304 1.00 0.00 N ATOM 298 CA LEU A 23 -0.592 -9.949 -1.602 1.00 0.00 C ATOM 299 C LEU A 23 -0.624 -11.451 -1.866 1.00 0.00 C ATOM 300 O LEU A 23 -0.095 -12.240 -1.084 1.00 0.00 O ATOM 301 CB LEU A 23 0.848 -9.438 -1.669 1.00 0.00 C ATOM 302 CG LEU A 23 1.437 -9.272 -3.070 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.960 -10.602 -3.590 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.397 -8.697 -4.021 1.00 0.00 C ATOM 0 H LEU A 23 -0.659 -10.000 0.494 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.183 -9.451 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.895 -8.475 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.482 -10.125 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 23 2.272 -8.574 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.375 -10.464 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.737 -10.974 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.143 -11.322 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.834 -8.586 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.459 -9.370 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.070 -7.723 -3.657 1.00 0.00 H new ATOM 316 N ALA A 24 -1.247 -11.839 -2.974 1.00 0.00 N ATOM 317 CA ALA A 24 -1.344 -13.245 -3.344 1.00 0.00 C ATOM 318 C ALA A 24 0.006 -13.787 -3.803 1.00 0.00 C ATOM 319 O ALA A 24 0.652 -13.209 -4.676 1.00 0.00 O ATOM 320 CB ALA A 24 -2.388 -13.434 -4.434 1.00 0.00 C ATOM 0 H ALA A 24 -1.692 -11.198 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.651 -13.806 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.449 -14.489 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.358 -13.094 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.106 -12.854 -5.313 1.00 0.00 H new ATOM 326 N GLU A 25 0.426 -14.898 -3.207 1.00 0.00 N ATOM 327 CA GLU A 25 1.700 -15.516 -3.555 1.00 0.00 C ATOM 328 C GLU A 25 1.737 -15.893 -5.033 1.00 0.00 C ATOM 329 O GLU A 25 2.808 -16.053 -5.617 1.00 0.00 O ATOM 330 CB GLU A 25 1.942 -16.758 -2.694 1.00 0.00 C ATOM 331 CG GLU A 25 1.355 -18.029 -3.282 1.00 0.00 C ATOM 332 CD GLU A 25 2.178 -18.575 -4.432 1.00 0.00 C ATOM 333 OE1 GLU A 25 3.423 -18.566 -4.327 1.00 0.00 O ATOM 334 OE2 GLU A 25 1.579 -19.011 -5.437 1.00 0.00 O ATOM 0 H GLU A 25 -0.097 -15.388 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 25 2.490 -14.790 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.015 -16.892 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.514 -16.593 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.282 -18.786 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.341 -17.830 -3.629 1.00 0.00 H new ATOM 341 N ASN A 26 0.558 -16.034 -5.631 1.00 0.00 N ATOM 342 CA ASN A 26 0.455 -16.393 -7.041 1.00 0.00 C ATOM 343 C ASN A 26 0.504 -15.150 -7.924 1.00 0.00 C ATOM 344 O ASN A 26 0.397 -15.241 -9.147 1.00 0.00 O ATOM 345 CB ASN A 26 -0.841 -17.164 -7.298 1.00 0.00 C ATOM 346 CG ASN A 26 -0.934 -17.682 -8.720 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.376 -16.971 -9.623 1.00 0.00 O ATOM 348 ND2 ASN A 26 -0.516 -18.926 -8.926 1.00 0.00 N ATOM 0 H ASN A 26 -0.338 -15.905 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 26 1.304 -17.028 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.905 -18.002 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.693 -16.515 -7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.554 -19.328 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.157 -19.479 -8.148 1.00 0.00 H new ATOM 355 N SER A 27 0.667 -13.990 -7.296 1.00 0.00 N ATOM 356 CA SER A 27 0.727 -12.728 -8.024 1.00 0.00 C ATOM 357 C SER A 27 1.781 -12.787 -9.126 1.00 0.00 C ATOM 358 O SER A 27 2.888 -13.282 -8.916 1.00 0.00 O ATOM 359 CB SER A 27 1.039 -11.577 -7.066 1.00 0.00 C ATOM 360 OG SER A 27 -0.086 -11.263 -6.263 1.00 0.00 O ATOM 0 H SER A 27 0.760 -13.898 -6.284 1.00 0.00 H new ATOM 0 HA SER A 27 -0.246 -12.555 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.881 -11.848 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.341 -10.698 -7.635 1.00 0.00 H new ATOM 0 HG SER A 27 -0.050 -11.781 -5.432 1.00 0.00 H new ATOM 366 N ALA A 28 1.427 -12.278 -10.301 1.00 0.00 N ATOM 367 CA ALA A 28 2.341 -12.269 -11.437 1.00 0.00 C ATOM 368 C ALA A 28 3.250 -11.045 -11.401 1.00 0.00 C ATOM 369 O ALA A 28 3.036 -10.106 -10.635 1.00 0.00 O ATOM 370 CB ALA A 28 1.561 -12.313 -12.742 1.00 0.00 C ATOM 0 H ALA A 28 0.513 -11.866 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 28 2.970 -13.157 -11.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.256 -12.306 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.960 -13.222 -12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.907 -11.443 -12.805 1.00 0.00 H new ATOM 376 N PRO A 29 4.289 -11.054 -12.249 1.00 0.00 N ATOM 377 CA PRO A 29 5.252 -9.952 -12.333 1.00 0.00 C ATOM 378 C PRO A 29 4.641 -8.694 -12.941 1.00 0.00 C ATOM 379 O PRO A 29 4.633 -8.523 -14.160 1.00 0.00 O ATOM 380 CB PRO A 29 6.349 -10.507 -13.243 1.00 0.00 C ATOM 381 CG PRO A 29 5.668 -11.542 -14.070 1.00 0.00 C ATOM 382 CD PRO A 29 4.605 -12.141 -13.190 1.00 0.00 C ATOM 0 HA PRO A 29 5.610 -9.648 -11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.780 -9.724 -13.866 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.165 -10.938 -12.662 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.230 -11.100 -14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.374 -12.303 -14.402 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.729 -12.442 -13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.966 -13.029 -12.671 1.00 0.00 H new ATOM 390 N GLY A 30 4.129 -7.816 -12.084 1.00 0.00 N ATOM 391 CA GLY A 30 3.523 -6.585 -12.557 1.00 0.00 C ATOM 392 C GLY A 30 2.148 -6.351 -11.965 1.00 0.00 C ATOM 393 O GLY A 30 1.472 -5.379 -12.307 1.00 0.00 O ATOM 0 H GLY A 30 4.123 -7.935 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.171 -5.745 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.447 -6.615 -13.644 1.00 0.00 H new ATOM 397 N THR A 31 1.728 -7.245 -11.074 1.00 0.00 N ATOM 398 CA THR A 31 0.423 -7.133 -10.435 1.00 0.00 C ATOM 399 C THR A 31 0.372 -5.934 -9.496 1.00 0.00 C ATOM 400 O THR A 31 1.268 -5.714 -8.681 1.00 0.00 O ATOM 401 CB THR A 31 0.075 -8.407 -9.643 1.00 0.00 C ATOM 402 OG1 THR A 31 0.020 -9.534 -10.525 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.258 -8.252 -8.927 1.00 0.00 C ATOM 0 H THR A 31 2.274 -8.055 -10.779 1.00 0.00 H new ATOM 0 HA THR A 31 -0.309 -6.998 -11.231 1.00 0.00 H new ATOM 0 HB THR A 31 0.854 -8.568 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.930 -9.828 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.482 -9.164 -8.374 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.203 -7.412 -8.234 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.045 -8.068 -9.659 1.00 0.00 H new ATOM 411 N PRO A 32 -0.702 -5.138 -9.609 1.00 0.00 N ATOM 412 CA PRO A 32 -0.896 -3.948 -8.776 1.00 0.00 C ATOM 413 C PRO A 32 -1.189 -4.299 -7.322 1.00 0.00 C ATOM 414 O PRO A 32 -2.135 -5.032 -7.029 1.00 0.00 O ATOM 415 CB PRO A 32 -2.107 -3.262 -9.414 1.00 0.00 C ATOM 416 CG PRO A 32 -2.851 -4.360 -10.092 1.00 0.00 C ATOM 417 CD PRO A 32 -1.809 -5.339 -10.559 1.00 0.00 C ATOM 0 HA PRO A 32 -0.003 -3.324 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.725 -2.770 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.799 -2.495 -10.125 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.554 -4.835 -9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.432 -3.978 -10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.180 -6.364 -10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.500 -5.138 -11.585 1.00 0.00 H new ATOM 425 N ILE A 33 -0.373 -3.773 -6.415 1.00 0.00 N ATOM 426 CA ILE A 33 -0.546 -4.031 -4.991 1.00 0.00 C ATOM 427 C ILE A 33 -1.358 -2.925 -4.327 1.00 0.00 C ATOM 428 O ILE A 33 -2.469 -3.157 -3.847 1.00 0.00 O ATOM 429 CB ILE A 33 0.811 -4.158 -4.272 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.675 -5.221 -4.954 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.603 -4.498 -2.804 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.152 -5.077 -4.660 1.00 0.00 C ATOM 0 H ILE A 33 0.415 -3.166 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.083 -4.975 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 33 1.329 -3.201 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.343 -6.208 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.520 -5.167 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.571 -4.584 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.021 -3.710 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.068 -5.444 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.704 -5.863 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.499 -4.103 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.319 -5.161 -3.586 1.00 0.00 H new ATOM 444 N LEU A 34 -0.799 -1.720 -4.304 1.00 0.00 N ATOM 445 CA LEU A 34 -1.472 -0.575 -3.700 1.00 0.00 C ATOM 446 C LEU A 34 -0.834 0.733 -4.154 1.00 0.00 C ATOM 447 O LEU A 34 0.218 0.732 -4.793 1.00 0.00 O ATOM 448 CB LEU A 34 -1.424 -0.677 -2.174 1.00 0.00 C ATOM 449 CG LEU A 34 -0.033 -0.817 -1.555 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.666 0.532 -1.502 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.128 -1.425 -0.163 1.00 0.00 C ATOM 0 H LEU A 34 0.119 -1.510 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.512 -0.583 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.899 0.210 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.024 -1.534 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 34 0.557 -1.485 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.654 0.412 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.767 0.929 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.078 1.223 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.871 -1.517 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.736 -0.782 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.588 -2.411 -0.227 1.00 0.00 H new ATOM 463 N GLN A 35 -1.477 1.847 -3.819 1.00 0.00 N ATOM 464 CA GLN A 35 -0.971 3.163 -4.192 1.00 0.00 C ATOM 465 C GLN A 35 -0.598 3.973 -2.955 1.00 0.00 C ATOM 466 O GLN A 35 -1.311 3.958 -1.951 1.00 0.00 O ATOM 467 CB GLN A 35 -2.015 3.919 -5.015 1.00 0.00 C ATOM 468 CG GLN A 35 -1.658 5.376 -5.259 1.00 0.00 C ATOM 469 CD GLN A 35 -0.803 5.569 -6.496 1.00 0.00 C ATOM 470 OE1 GLN A 35 -0.127 4.643 -6.948 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.828 6.774 -7.052 1.00 0.00 N ATOM 0 H GLN A 35 -2.349 1.865 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.075 3.022 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.141 3.419 -5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.975 3.870 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.574 5.958 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.127 5.766 -4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.402 7.512 -6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.273 6.962 -7.887 1.00 0.00 H new ATOM 480 N LEU A 36 0.525 4.678 -3.033 1.00 0.00 N ATOM 481 CA LEU A 36 0.995 5.495 -1.919 1.00 0.00 C ATOM 482 C LEU A 36 0.592 6.955 -2.107 1.00 0.00 C ATOM 483 O LEU A 36 1.027 7.612 -3.052 1.00 0.00 O ATOM 484 CB LEU A 36 2.515 5.387 -1.786 1.00 0.00 C ATOM 485 CG LEU A 36 3.089 3.970 -1.794 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.588 4.003 -2.050 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.786 3.264 -0.481 1.00 0.00 C ATOM 0 H LEU A 36 1.127 4.701 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 36 0.530 5.123 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.972 5.947 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.814 5.874 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 36 2.615 3.411 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.979 2.986 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.782 4.468 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.079 4.579 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.202 2.257 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.232 3.821 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.707 3.207 -0.339 1.00 0.00 H new ATOM 499 N ARG A 37 -0.239 7.455 -1.199 1.00 0.00 N ATOM 500 CA ARG A 37 -0.699 8.837 -1.263 1.00 0.00 C ATOM 501 C ARG A 37 -0.086 9.667 -0.140 1.00 0.00 C ATOM 502 O ARG A 37 -0.709 9.881 0.899 1.00 0.00 O ATOM 503 CB ARG A 37 -2.226 8.893 -1.178 1.00 0.00 C ATOM 504 CG ARG A 37 -2.827 7.808 -0.299 1.00 0.00 C ATOM 505 CD ARG A 37 -4.346 7.872 -0.297 1.00 0.00 C ATOM 506 NE ARG A 37 -4.928 7.109 -1.397 1.00 0.00 N ATOM 507 CZ ARG A 37 -6.186 6.681 -1.411 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.989 6.942 -0.390 1.00 0.00 N ATOM 509 NH2 ARG A 37 -6.642 5.992 -2.449 1.00 0.00 N ATOM 0 H ARG A 37 -0.608 6.924 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.379 9.256 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.525 9.868 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.641 8.807 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.503 6.830 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.456 7.916 0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.724 7.487 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.665 8.912 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.336 6.892 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.642 7.473 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.954 6.612 -0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.027 5.790 -3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.608 5.664 -2.459 1.00 0.00 H new ATOM 697 N TYR A 51 8.496 8.550 -4.488 1.00 0.00 N ATOM 698 CA TYR A 51 8.394 7.351 -3.665 1.00 0.00 C ATOM 699 C TYR A 51 9.450 6.325 -4.064 1.00 0.00 C ATOM 700 O TYR A 51 9.507 5.891 -5.215 1.00 0.00 O ATOM 701 CB TYR A 51 6.998 6.738 -3.789 1.00 0.00 C ATOM 702 CG TYR A 51 5.884 7.760 -3.765 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.306 8.158 -2.566 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.410 8.328 -4.941 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.287 9.091 -2.539 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.393 9.263 -4.924 1.00 0.00 C ATOM 707 CZ TYR A 51 3.834 9.640 -3.720 1.00 0.00 C ATOM 708 OH TYR A 51 2.821 10.571 -3.697 1.00 0.00 O ATOM 0 HA TYR A 51 8.566 7.638 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.940 6.172 -4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.848 6.030 -2.974 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.659 7.731 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.844 8.033 -5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.848 9.389 -1.598 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.038 9.696 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 51 2.621 10.859 -4.612 1.00 0.00 H new ATOM 718 N VAL A 52 10.285 5.941 -3.104 1.00 0.00 N ATOM 719 CA VAL A 52 11.339 4.964 -3.353 1.00 0.00 C ATOM 720 C VAL A 52 11.318 3.854 -2.308 1.00 0.00 C ATOM 721 O VAL A 52 10.497 3.866 -1.391 1.00 0.00 O ATOM 722 CB VAL A 52 12.729 5.626 -3.354 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.899 6.510 -4.581 1.00 0.00 C ATOM 724 CG2 VAL A 52 12.939 6.426 -2.078 1.00 0.00 C ATOM 0 H VAL A 52 10.252 6.291 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 52 11.148 4.536 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 52 13.485 4.842 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.887 6.969 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.795 5.906 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.137 7.289 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.927 6.887 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.177 7.202 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.864 5.763 -1.216 1.00 0.00 H new ATOM 734 N PHE A 53 12.226 2.895 -2.454 1.00 0.00 N ATOM 735 CA PHE A 53 12.312 1.776 -1.522 1.00 0.00 C ATOM 736 C PHE A 53 13.232 2.111 -0.353 1.00 0.00 C ATOM 737 O PHE A 53 14.453 1.997 -0.456 1.00 0.00 O ATOM 738 CB PHE A 53 12.818 0.524 -2.242 1.00 0.00 C ATOM 739 CG PHE A 53 11.721 -0.299 -2.855 1.00 0.00 C ATOM 740 CD1 PHE A 53 10.575 -0.596 -2.136 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.838 -0.777 -4.151 1.00 0.00 C ATOM 742 CE1 PHE A 53 9.564 -1.354 -2.698 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.830 -1.534 -4.717 1.00 0.00 C ATOM 744 CZ PHE A 53 9.692 -1.824 -3.990 1.00 0.00 C ATOM 0 H PHE A 53 12.912 2.870 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 53 11.313 1.583 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.518 0.821 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.373 -0.093 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.470 -0.231 -1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.726 -0.555 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.675 -1.578 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.932 -1.899 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.904 -2.417 -4.431 1.00 0.00 H new ATOM 754 N GLY A 54 12.637 2.527 0.761 1.00 0.00 N ATOM 755 CA GLY A 54 13.417 2.874 1.935 1.00 0.00 C ATOM 756 C GLY A 54 14.270 1.721 2.425 1.00 0.00 C ATOM 757 O GLY A 54 15.203 1.297 1.745 1.00 0.00 O ATOM 0 H GLY A 54 11.628 2.630 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.059 3.724 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.746 3.190 2.733 1.00 0.00 H new ATOM 761 N ALA A 55 13.949 1.213 3.611 1.00 0.00 N ATOM 762 CA ALA A 55 14.693 0.101 4.192 1.00 0.00 C ATOM 763 C ALA A 55 14.223 -1.232 3.619 1.00 0.00 C ATOM 764 O ALA A 55 13.551 -2.008 4.298 1.00 0.00 O ATOM 765 CB ALA A 55 14.551 0.107 5.707 1.00 0.00 C ATOM 0 H ALA A 55 13.180 1.553 4.188 1.00 0.00 H new ATOM 0 HA ALA A 55 15.745 0.225 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.111 -0.728 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.941 1.044 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.499 0.010 5.974 1.00 0.00 H new ATOM 771 N ALA A 56 14.581 -1.491 2.366 1.00 0.00 N ATOM 772 CA ALA A 56 14.198 -2.731 1.703 1.00 0.00 C ATOM 773 C ALA A 56 15.388 -3.676 1.573 1.00 0.00 C ATOM 774 O ALA A 56 16.485 -3.378 2.048 1.00 0.00 O ATOM 775 CB ALA A 56 13.604 -2.436 0.334 1.00 0.00 C ATOM 0 H ALA A 56 15.136 -0.858 1.790 1.00 0.00 H new ATOM 0 HA ALA A 56 13.443 -3.223 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.322 -3.371 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.721 -1.807 0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 56 14.342 -1.918 -0.279 1.00 0.00 H new ATOM 781 N THR A 57 15.166 -4.816 0.928 1.00 0.00 N ATOM 782 CA THR A 57 16.219 -5.805 0.737 1.00 0.00 C ATOM 783 C THR A 57 16.529 -6.000 -0.743 1.00 0.00 C ATOM 784 O THR A 57 15.809 -5.502 -1.607 1.00 0.00 O ATOM 785 CB THR A 57 15.833 -7.163 1.352 1.00 0.00 C ATOM 786 OG1 THR A 57 15.089 -7.937 0.404 1.00 0.00 O ATOM 787 CG2 THR A 57 15.008 -6.970 2.616 1.00 0.00 C ATOM 0 H THR A 57 14.265 -5.078 0.528 1.00 0.00 H new ATOM 0 HA THR A 57 17.105 -5.424 1.244 1.00 0.00 H new ATOM 0 HB THR A 57 16.750 -7.692 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.849 -8.800 0.802 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.747 -7.943 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 57 15.588 -6.406 3.347 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.097 -6.422 2.376 1.00 0.00 H new ATOM 795 N GLU A 58 17.605 -6.727 -1.026 1.00 0.00 N ATOM 796 CA GLU A 58 18.009 -6.987 -2.403 1.00 0.00 C ATOM 797 C GLU A 58 17.107 -8.036 -3.046 1.00 0.00 C ATOM 798 O GLU A 58 17.146 -8.245 -4.259 1.00 0.00 O ATOM 799 CB GLU A 58 19.466 -7.453 -2.451 1.00 0.00 C ATOM 800 CG GLU A 58 19.758 -8.634 -1.541 1.00 0.00 C ATOM 801 CD GLU A 58 20.958 -9.441 -1.998 1.00 0.00 C ATOM 802 OE1 GLU A 58 22.091 -8.924 -1.904 1.00 0.00 O ATOM 803 OE2 GLU A 58 20.763 -10.589 -2.449 1.00 0.00 O ATOM 0 H GLU A 58 18.212 -7.146 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 58 17.913 -6.057 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.718 -7.724 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 58 20.114 -6.622 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.933 -8.272 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.883 -9.282 -1.501 1.00 0.00 H new ATOM 810 N SER A 59 16.295 -8.694 -2.225 1.00 0.00 N ATOM 811 CA SER A 59 15.385 -9.725 -2.711 1.00 0.00 C ATOM 812 C SER A 59 13.970 -9.175 -2.857 1.00 0.00 C ATOM 813 O SER A 59 13.135 -9.754 -3.554 1.00 0.00 O ATOM 814 CB SER A 59 15.384 -10.924 -1.761 1.00 0.00 C ATOM 815 OG SER A 59 16.687 -11.461 -1.616 1.00 0.00 O ATOM 0 H SER A 59 16.249 -8.531 -1.219 1.00 0.00 H new ATOM 0 HA SER A 59 15.733 -10.049 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.002 -10.619 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.711 -11.692 -2.141 1.00 0.00 H new ATOM 0 HG SER A 59 16.660 -12.225 -1.003 1.00 0.00 H new ATOM 821 N VAL A 60 13.706 -8.053 -2.195 1.00 0.00 N ATOM 822 CA VAL A 60 12.392 -7.423 -2.251 1.00 0.00 C ATOM 823 C VAL A 60 12.350 -6.333 -3.315 1.00 0.00 C ATOM 824 O VAL A 60 11.351 -6.174 -4.017 1.00 0.00 O ATOM 825 CB VAL A 60 12.004 -6.814 -0.891 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.861 -5.824 -1.056 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.633 -7.909 0.098 1.00 0.00 C ATOM 0 H VAL A 60 14.385 -7.561 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 60 11.677 -8.204 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 60 12.865 -6.276 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.600 -5.404 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.168 -5.022 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.994 -6.336 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.362 -7.460 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.787 -8.477 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.484 -8.575 0.239 1.00 0.00 H new ATOM 837 N ARG A 61 13.442 -5.583 -3.430 1.00 0.00 N ATOM 838 CA ARG A 61 13.530 -4.506 -4.408 1.00 0.00 C ATOM 839 C ARG A 61 13.510 -5.060 -5.830 1.00 0.00 C ATOM 840 O ARG A 61 13.200 -4.344 -6.782 1.00 0.00 O ATOM 841 CB ARG A 61 14.804 -3.689 -4.186 1.00 0.00 C ATOM 842 CG ARG A 61 16.070 -4.400 -4.637 1.00 0.00 C ATOM 843 CD ARG A 61 17.255 -3.448 -4.689 1.00 0.00 C ATOM 844 NE ARG A 61 18.367 -4.001 -5.457 1.00 0.00 N ATOM 845 CZ ARG A 61 19.454 -3.308 -5.778 1.00 0.00 C ATOM 846 NH1 ARG A 61 19.575 -2.043 -5.398 1.00 0.00 N ATOM 847 NH2 ARG A 61 20.424 -3.881 -6.479 1.00 0.00 N ATOM 0 H ARG A 61 14.278 -5.702 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 61 12.663 -3.858 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.718 -2.744 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.891 -3.448 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.291 -5.221 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.911 -4.839 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.942 -2.503 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.588 -3.228 -3.675 1.00 0.00 H new ATOM 0 HE ARG A 61 18.306 -4.972 -5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.832 -1.600 -4.858 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.411 -1.514 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.335 -4.854 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.258 -3.348 -6.725 1.00 0.00 H new ATOM 861 N ARG A 62 13.843 -6.340 -5.965 1.00 0.00 N ATOM 862 CA ARG A 62 13.865 -6.989 -7.270 1.00 0.00 C ATOM 863 C ARG A 62 12.578 -7.775 -7.508 1.00 0.00 C ATOM 864 O ARG A 62 12.148 -7.952 -8.649 1.00 0.00 O ATOM 865 CB ARG A 62 15.072 -7.922 -7.379 1.00 0.00 C ATOM 866 CG ARG A 62 14.907 -9.224 -6.614 1.00 0.00 C ATOM 867 CD ARG A 62 16.060 -10.179 -6.883 1.00 0.00 C ATOM 868 NE ARG A 62 16.137 -11.240 -5.882 1.00 0.00 N ATOM 869 CZ ARG A 62 17.165 -12.074 -5.773 1.00 0.00 C ATOM 870 NH1 ARG A 62 18.198 -11.970 -6.598 1.00 0.00 N ATOM 871 NH2 ARG A 62 17.161 -13.014 -4.837 1.00 0.00 N ATOM 0 H ARG A 62 14.101 -6.947 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 62 13.944 -6.214 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.252 -8.148 -8.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.956 -7.403 -7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.848 -9.015 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.967 -9.697 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.941 -10.622 -7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.997 -9.622 -6.894 1.00 0.00 H new ATOM 0 HE ARG A 62 15.359 -11.346 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.205 -11.248 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.986 -12.612 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.368 -13.097 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.951 -13.654 -4.754 1.00 0.00 H new ATOM 885 N LEU A 63 11.970 -8.245 -6.425 1.00 0.00 N ATOM 886 CA LEU A 63 10.733 -9.013 -6.515 1.00 0.00 C ATOM 887 C LEU A 63 9.522 -8.088 -6.597 1.00 0.00 C ATOM 888 O LEU A 63 8.435 -8.505 -6.998 1.00 0.00 O ATOM 889 CB LEU A 63 10.597 -9.943 -5.308 1.00 0.00 C ATOM 890 CG LEU A 63 9.215 -10.556 -5.084 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.942 -11.645 -6.109 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.098 -11.109 -3.671 1.00 0.00 C ATOM 0 H LEU A 63 12.313 -8.108 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 63 10.772 -9.612 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.318 -10.753 -5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.875 -9.386 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 63 8.467 -9.773 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.954 -12.070 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.981 -11.219 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.695 -12.428 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.107 -11.541 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.855 -11.878 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.248 -10.304 -2.952 1.00 0.00 H new ATOM 904 N LEU A 64 9.719 -6.830 -6.217 1.00 0.00 N ATOM 905 CA LEU A 64 8.644 -5.845 -6.250 1.00 0.00 C ATOM 906 C LEU A 64 9.144 -4.512 -6.798 1.00 0.00 C ATOM 907 O LEU A 64 10.264 -4.092 -6.508 1.00 0.00 O ATOM 908 CB LEU A 64 8.063 -5.648 -4.848 1.00 0.00 C ATOM 909 CG LEU A 64 7.711 -6.923 -4.082 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.860 -6.705 -2.585 1.00 0.00 C ATOM 911 CD2 LEU A 64 6.297 -7.374 -4.419 1.00 0.00 C ATOM 0 H LEU A 64 10.612 -6.469 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 64 7.862 -6.218 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.780 -5.079 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.163 -5.038 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 64 8.404 -7.708 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.605 -7.624 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.890 -6.430 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.192 -5.905 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.063 -8.283 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.590 -6.590 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.223 -7.572 -5.488 1.00 0.00 H new ATOM 923 N ARG A 65 8.305 -3.851 -7.588 1.00 0.00 N ATOM 924 CA ARG A 65 8.661 -2.565 -8.175 1.00 0.00 C ATOM 925 C ARG A 65 7.726 -1.464 -7.683 1.00 0.00 C ATOM 926 O ARG A 65 6.526 -1.685 -7.512 1.00 0.00 O ATOM 927 CB ARG A 65 8.612 -2.646 -9.702 1.00 0.00 C ATOM 928 CG ARG A 65 8.977 -1.343 -10.394 1.00 0.00 C ATOM 929 CD ARG A 65 10.483 -1.147 -10.453 1.00 0.00 C ATOM 930 NE ARG A 65 10.847 0.096 -11.128 1.00 0.00 N ATOM 931 CZ ARG A 65 12.047 0.659 -11.034 1.00 0.00 C ATOM 932 NH1 ARG A 65 12.993 0.094 -10.298 1.00 0.00 N ATOM 933 NH2 ARG A 65 12.302 1.791 -11.679 1.00 0.00 N ATOM 0 H ARG A 65 7.374 -4.185 -7.836 1.00 0.00 H new ATOM 0 HA ARG A 65 9.677 -2.321 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.292 -3.429 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.609 -2.942 -10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.569 -1.340 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.521 -0.508 -9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.888 -1.142 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.938 -1.989 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 65 10.142 0.557 -11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.801 -0.776 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.913 0.529 -10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.577 2.229 -12.247 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.223 2.223 -11.607 1.00 0.00 H new ATOM 947 N LEU A 66 8.282 -0.279 -7.457 1.00 0.00 N ATOM 948 CA LEU A 66 7.498 0.856 -6.984 1.00 0.00 C ATOM 949 C LEU A 66 7.799 2.106 -7.805 1.00 0.00 C ATOM 950 O LEU A 66 8.896 2.660 -7.731 1.00 0.00 O ATOM 951 CB LEU A 66 7.788 1.121 -5.506 1.00 0.00 C ATOM 952 CG LEU A 66 7.284 2.454 -4.951 1.00 0.00 C ATOM 953 CD1 LEU A 66 8.335 3.538 -5.127 1.00 0.00 C ATOM 954 CD2 LEU A 66 5.982 2.855 -5.630 1.00 0.00 C ATOM 0 H LEU A 66 9.273 -0.079 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 66 6.442 0.611 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.346 0.316 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.866 1.071 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 66 7.093 2.333 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.958 4.479 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.243 3.255 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.559 3.659 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.637 3.806 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.148 2.958 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.227 2.089 -5.451 1.00 0.00 H new ATOM 966 N ASP A 67 6.818 2.545 -8.586 1.00 0.00 N ATOM 967 CA ASP A 67 6.977 3.731 -9.419 1.00 0.00 C ATOM 968 C ASP A 67 6.807 5.002 -8.592 1.00 0.00 C ATOM 969 O ASP A 67 5.752 5.234 -8.003 1.00 0.00 O ATOM 970 CB ASP A 67 5.965 3.715 -10.565 1.00 0.00 C ATOM 971 CG ASP A 67 6.481 4.421 -11.804 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.714 4.557 -11.938 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.650 4.838 -12.638 1.00 0.00 O ATOM 0 H ASP A 67 5.904 2.097 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 67 7.985 3.721 -9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.719 2.683 -10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.041 4.192 -10.237 1.00 0.00 H new ATOM 978 N GLU A 68 7.854 5.821 -8.553 1.00 0.00 N ATOM 979 CA GLU A 68 7.821 7.067 -7.797 1.00 0.00 C ATOM 980 C GLU A 68 7.055 8.145 -8.558 1.00 0.00 C ATOM 981 O GLU A 68 6.433 9.023 -7.959 1.00 0.00 O ATOM 982 CB GLU A 68 9.243 7.548 -7.501 1.00 0.00 C ATOM 983 CG GLU A 68 9.795 8.496 -8.552 1.00 0.00 C ATOM 984 CD GLU A 68 9.906 7.851 -9.920 1.00 0.00 C ATOM 985 OE1 GLU A 68 10.199 6.639 -9.982 1.00 0.00 O ATOM 986 OE2 GLU A 68 9.700 8.559 -10.928 1.00 0.00 O ATOM 0 H GLU A 68 8.735 5.644 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 68 7.307 6.877 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.255 8.047 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.901 6.683 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.151 9.373 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.779 8.846 -8.239 1.00 0.00 H new ATOM 993 N THR A 69 7.106 8.074 -9.885 1.00 0.00 N ATOM 994 CA THR A 69 6.420 9.043 -10.730 1.00 0.00 C ATOM 995 C THR A 69 4.913 9.005 -10.498 1.00 0.00 C ATOM 996 O THR A 69 4.255 10.045 -10.457 1.00 0.00 O ATOM 997 CB THR A 69 6.705 8.790 -12.222 1.00 0.00 C ATOM 998 OG1 THR A 69 5.919 9.675 -13.028 1.00 0.00 O ATOM 999 CG2 THR A 69 6.396 7.347 -12.594 1.00 0.00 C ATOM 0 H THR A 69 7.616 7.355 -10.398 1.00 0.00 H new ATOM 0 HA THR A 69 6.803 10.027 -10.457 1.00 0.00 H new ATOM 0 HB THR A 69 7.763 8.977 -12.405 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.107 9.509 -13.975 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.605 7.191 -13.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.017 6.677 -11.999 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.345 7.138 -12.397 1.00 0.00 H new ATOM 1007 N SER A 70 4.373 7.800 -10.347 1.00 0.00 N ATOM 1008 CA SER A 70 2.942 7.627 -10.122 1.00 0.00 C ATOM 1009 C SER A 70 2.661 7.260 -8.668 1.00 0.00 C ATOM 1010 O SER A 70 1.715 7.760 -8.062 1.00 0.00 O ATOM 1011 CB SER A 70 2.387 6.545 -11.050 1.00 0.00 C ATOM 1012 OG SER A 70 3.119 5.338 -10.922 1.00 0.00 O ATOM 0 H SER A 70 4.904 6.930 -10.376 1.00 0.00 H new ATOM 0 HA SER A 70 2.447 8.573 -10.341 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.338 6.364 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.428 6.891 -12.083 1.00 0.00 H new ATOM 0 HG SER A 70 3.844 5.323 -11.582 1.00 0.00 H new ATOM 1018 N GLY A 71 3.492 6.381 -8.115 1.00 0.00 N ATOM 1019 CA GLY A 71 3.316 5.961 -6.737 1.00 0.00 C ATOM 1020 C GLY A 71 2.569 4.647 -6.622 1.00 0.00 C ATOM 1021 O GLY A 71 2.144 4.260 -5.533 1.00 0.00 O ATOM 0 H GLY A 71 4.283 5.953 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.293 5.863 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.773 6.733 -6.192 1.00 0.00 H new ATOM 1025 N TRP A 72 2.405 3.961 -7.747 1.00 0.00 N ATOM 1026 CA TRP A 72 1.701 2.684 -7.768 1.00 0.00 C ATOM 1027 C TRP A 72 2.658 1.530 -7.489 1.00 0.00 C ATOM 1028 O TRP A 72 3.509 1.203 -8.317 1.00 0.00 O ATOM 1029 CB TRP A 72 1.015 2.478 -9.120 1.00 0.00 C ATOM 1030 CG TRP A 72 -0.378 3.029 -9.169 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.760 4.251 -9.644 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.573 2.378 -8.724 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -2.120 4.399 -9.521 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.643 3.263 -8.961 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.844 1.133 -8.151 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.959 2.942 -8.642 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -3.151 0.815 -7.835 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -4.195 1.716 -8.082 1.00 0.00 C ATOM 0 H TRP A 72 2.750 4.267 -8.657 1.00 0.00 H new ATOM 0 HA TRP A 72 0.944 2.702 -6.984 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.613 2.951 -9.899 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.985 1.412 -9.345 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.091 4.992 -10.056 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.654 5.221 -9.801 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -1.046 0.431 -7.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.765 3.636 -8.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.371 -0.144 -7.390 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.206 1.437 -7.825 1.00 0.00 H new ATOM 1049 N LEU A 73 2.514 0.917 -6.320 1.00 0.00 N ATOM 1050 CA LEU A 73 3.367 -0.201 -5.932 1.00 0.00 C ATOM 1051 C LEU A 73 2.854 -1.508 -6.527 1.00 0.00 C ATOM 1052 O LEU A 73 1.711 -1.901 -6.297 1.00 0.00 O ATOM 1053 CB LEU A 73 3.433 -0.313 -4.408 1.00 0.00 C ATOM 1054 CG LEU A 73 4.774 -0.759 -3.825 1.00 0.00 C ATOM 1055 CD1 LEU A 73 4.728 -0.744 -2.305 1.00 0.00 C ATOM 1056 CD2 LEU A 73 5.144 -2.144 -4.335 1.00 0.00 C ATOM 0 H LEU A 73 1.815 1.175 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 73 4.368 -0.014 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.179 0.657 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.666 -1.016 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 73 5.541 -0.056 -4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.691 -1.064 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.510 0.266 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.949 -1.423 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.101 -2.445 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.375 -2.858 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.221 -2.123 -5.422 1.00 0.00 H new ATOM 1068 N SER A 74 3.709 -2.179 -7.293 1.00 0.00 N ATOM 1069 CA SER A 74 3.342 -3.442 -7.923 1.00 0.00 C ATOM 1070 C SER A 74 4.505 -4.428 -7.881 1.00 0.00 C ATOM 1071 O SER A 74 5.614 -4.081 -7.473 1.00 0.00 O ATOM 1072 CB SER A 74 2.911 -3.207 -9.372 1.00 0.00 C ATOM 1073 OG SER A 74 4.030 -2.954 -10.203 1.00 0.00 O ATOM 0 H SER A 74 4.660 -1.869 -7.492 1.00 0.00 H new ATOM 0 HA SER A 74 2.507 -3.868 -7.367 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.371 -4.079 -9.740 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.222 -2.363 -9.417 1.00 0.00 H new ATOM 0 HG SER A 74 3.728 -2.809 -11.124 1.00 0.00 H new ATOM 1079 N VAL A 75 4.244 -5.661 -8.305 1.00 0.00 N ATOM 1080 CA VAL A 75 5.268 -6.698 -8.317 1.00 0.00 C ATOM 1081 C VAL A 75 6.161 -6.575 -9.547 1.00 0.00 C ATOM 1082 O VAL A 75 5.750 -6.033 -10.574 1.00 0.00 O ATOM 1083 CB VAL A 75 4.642 -8.105 -8.290 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.719 -9.172 -8.406 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.823 -8.299 -7.022 1.00 0.00 C ATOM 0 H VAL A 75 3.332 -5.965 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 75 5.870 -6.558 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 75 3.974 -8.203 -9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.257 -10.159 -8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.259 -9.044 -9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.414 -9.079 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.388 -9.298 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.468 -8.182 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.026 -7.556 -6.986 1.00 0.00 H new ATOM 1095 N LEU A 76 7.383 -7.083 -9.436 1.00 0.00 N ATOM 1096 CA LEU A 76 8.336 -7.031 -10.540 1.00 0.00 C ATOM 1097 C LEU A 76 8.636 -8.430 -11.067 1.00 0.00 C ATOM 1098 O LEU A 76 8.819 -8.627 -12.269 1.00 0.00 O ATOM 1099 CB LEU A 76 9.631 -6.354 -10.090 1.00 0.00 C ATOM 1100 CG LEU A 76 10.685 -6.131 -11.176 1.00 0.00 C ATOM 1101 CD1 LEU A 76 10.275 -4.986 -12.089 1.00 0.00 C ATOM 1102 CD2 LEU A 76 12.045 -5.857 -10.552 1.00 0.00 C ATOM 0 H LEU A 76 7.738 -7.535 -8.593 1.00 0.00 H new ATOM 0 HA LEU A 76 7.890 -6.448 -11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.379 -5.388 -9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.076 -6.956 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 76 10.759 -7.039 -11.775 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.036 -4.841 -12.856 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.323 -5.222 -12.564 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.172 -4.073 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.782 -5.701 -11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.986 -4.965 -9.928 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.343 -6.709 -9.940 1.00 0.00 H new ATOM 1114 N HIS A 77 8.683 -9.401 -10.159 1.00 0.00 N ATOM 1115 CA HIS A 77 8.959 -10.784 -10.533 1.00 0.00 C ATOM 1116 C HIS A 77 7.972 -11.734 -9.862 1.00 0.00 C ATOM 1117 O HIS A 77 7.136 -11.314 -9.062 1.00 0.00 O ATOM 1118 CB HIS A 77 10.390 -11.162 -10.151 1.00 0.00 C ATOM 1119 CG HIS A 77 11.405 -10.792 -11.188 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.150 -10.843 -12.542 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.682 -10.361 -11.063 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.227 -10.461 -13.206 1.00 0.00 C ATOM 1123 NE2 HIS A 77 13.170 -10.163 -12.331 1.00 0.00 N ATOM 0 H HIS A 77 8.534 -9.256 -9.161 1.00 0.00 H new ATOM 0 HA HIS A 77 8.845 -10.873 -11.613 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.648 -10.673 -9.212 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.438 -12.237 -9.975 1.00 0.00 H new ATOM 0 HD2 HIS A 77 13.217 -10.202 -10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.320 -10.403 -14.280 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.109 -9.838 -12.560 1.00 0.00 H new ATOM 1132 N ARG A 78 8.075 -13.017 -10.193 1.00 0.00 N ATOM 1133 CA ARG A 78 7.191 -14.027 -9.624 1.00 0.00 C ATOM 1134 C ARG A 78 7.434 -14.180 -8.125 1.00 0.00 C ATOM 1135 O ARG A 78 8.557 -14.013 -7.649 1.00 0.00 O ATOM 1136 CB ARG A 78 7.398 -15.371 -10.325 1.00 0.00 C ATOM 1137 CG ARG A 78 6.846 -15.410 -11.740 1.00 0.00 C ATOM 1138 CD ARG A 78 7.066 -16.769 -12.386 1.00 0.00 C ATOM 1139 NE ARG A 78 6.107 -17.029 -13.457 1.00 0.00 N ATOM 1140 CZ ARG A 78 6.024 -18.185 -14.105 1.00 0.00 C ATOM 1141 NH1 ARG A 78 6.839 -19.183 -13.794 1.00 0.00 N ATOM 1142 NH2 ARG A 78 5.125 -18.345 -15.068 1.00 0.00 N ATOM 0 H ARG A 78 8.762 -13.382 -10.853 1.00 0.00 H new ATOM 0 HA ARG A 78 6.162 -13.701 -9.777 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.464 -15.596 -10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.922 -16.155 -9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.780 -15.182 -11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.327 -14.638 -12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.079 -16.820 -12.786 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.983 -17.548 -11.628 1.00 0.00 H new ATOM 0 HE ARG A 78 5.466 -16.281 -13.722 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.532 -19.064 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.773 -20.070 -14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.497 -17.579 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.063 -19.234 -15.565 1.00 0.00 H new ATOM 1156 N ILE A 79 6.375 -14.499 -7.389 1.00 0.00 N ATOM 1157 CA ILE A 79 6.474 -14.675 -5.945 1.00 0.00 C ATOM 1158 C ILE A 79 6.156 -16.111 -5.543 1.00 0.00 C ATOM 1159 O ILE A 79 5.122 -16.659 -5.926 1.00 0.00 O ATOM 1160 CB ILE A 79 5.525 -13.722 -5.195 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.768 -12.276 -5.634 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.711 -13.864 -3.692 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.607 -11.352 -5.338 1.00 0.00 C ATOM 0 H ILE A 79 5.439 -14.641 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 79 7.502 -14.442 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 79 4.497 -13.988 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.660 -11.898 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.972 -12.259 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.033 -13.184 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.493 -14.889 -3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.740 -13.620 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.849 -10.344 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.718 -11.706 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.417 -11.339 -4.265 1.00 0.00 H new ATOM 1175 N ASP A 80 7.051 -16.715 -4.768 1.00 0.00 N ATOM 1176 CA ASP A 80 6.864 -18.087 -4.312 1.00 0.00 C ATOM 1177 C ASP A 80 6.691 -18.137 -2.797 1.00 0.00 C ATOM 1178 O ASP A 80 7.665 -18.064 -2.048 1.00 0.00 O ATOM 1179 CB ASP A 80 8.054 -18.952 -4.729 1.00 0.00 C ATOM 1180 CG ASP A 80 7.665 -20.399 -4.961 1.00 0.00 C ATOM 1181 OD1 ASP A 80 6.544 -20.640 -5.455 1.00 0.00 O ATOM 1182 OD2 ASP A 80 8.482 -21.291 -4.647 1.00 0.00 O ATOM 0 H ASP A 80 7.912 -16.276 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 80 5.959 -18.478 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.493 -18.546 -5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.822 -18.905 -3.957 1.00 0.00 H new ATOM 1187 N ARG A 81 5.444 -18.260 -2.353 1.00 0.00 N ATOM 1188 CA ARG A 81 5.142 -18.316 -0.928 1.00 0.00 C ATOM 1189 C ARG A 81 6.230 -19.074 -0.172 1.00 0.00 C ATOM 1190 O ARG A 81 6.564 -18.731 0.962 1.00 0.00 O ATOM 1191 CB ARG A 81 3.786 -18.986 -0.698 1.00 0.00 C ATOM 1192 CG ARG A 81 3.172 -18.669 0.656 1.00 0.00 C ATOM 1193 CD ARG A 81 3.761 -19.543 1.753 1.00 0.00 C ATOM 1194 NE ARG A 81 2.870 -19.649 2.905 1.00 0.00 N ATOM 1195 CZ ARG A 81 3.075 -20.484 3.918 1.00 0.00 C ATOM 1196 NH1 ARG A 81 4.135 -21.280 3.921 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.219 -20.522 4.931 1.00 0.00 N ATOM 0 H ARG A 81 4.627 -18.323 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 81 5.104 -17.294 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.097 -18.672 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.903 -20.066 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.340 -17.619 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.093 -18.817 0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.960 -20.538 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.718 -19.130 2.072 1.00 0.00 H new ATOM 0 HE ARG A 81 2.045 -19.049 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.796 -21.252 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.290 -21.920 4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.403 -19.910 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.377 -21.163 5.708 1.00 0.00 H new ATOM 1211 N GLU A 82 6.778 -20.104 -0.808 1.00 0.00 N ATOM 1212 CA GLU A 82 7.826 -20.911 -0.194 1.00 0.00 C ATOM 1213 C GLU A 82 9.048 -20.056 0.134 1.00 0.00 C ATOM 1214 O GLU A 82 9.479 -19.988 1.284 1.00 0.00 O ATOM 1215 CB GLU A 82 8.228 -22.058 -1.123 1.00 0.00 C ATOM 1216 CG GLU A 82 8.657 -23.316 -0.386 1.00 0.00 C ATOM 1217 CD GLU A 82 7.538 -23.919 0.440 1.00 0.00 C ATOM 1218 OE1 GLU A 82 6.566 -24.427 -0.157 1.00 0.00 O ATOM 1219 OE2 GLU A 82 7.635 -23.883 1.685 1.00 0.00 O ATOM 0 H GLU A 82 6.514 -20.400 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 82 7.433 -21.326 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.388 -22.298 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.045 -21.726 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.008 -24.053 -1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.499 -23.081 0.266 1.00 0.00 H new ATOM 1226 N GLU A 83 9.600 -19.408 -0.887 1.00 0.00 N ATOM 1227 CA GLU A 83 10.772 -18.559 -0.707 1.00 0.00 C ATOM 1228 C GLU A 83 10.471 -17.411 0.251 1.00 0.00 C ATOM 1229 O GLU A 83 11.345 -16.961 0.992 1.00 0.00 O ATOM 1230 CB GLU A 83 11.239 -18.005 -2.055 1.00 0.00 C ATOM 1231 CG GLU A 83 10.404 -16.838 -2.555 1.00 0.00 C ATOM 1232 CD GLU A 83 11.105 -16.039 -3.636 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.869 -16.643 -4.418 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.892 -14.810 -3.700 1.00 0.00 O ATOM 0 H GLU A 83 9.255 -19.455 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 83 11.567 -19.168 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.278 -17.687 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.212 -18.804 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.457 -17.214 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.168 -16.181 -1.718 1.00 0.00 H new ATOM 1241 N VAL A 84 9.228 -16.941 0.231 1.00 0.00 N ATOM 1242 CA VAL A 84 8.810 -15.846 1.098 1.00 0.00 C ATOM 1243 C VAL A 84 7.397 -16.071 1.625 1.00 0.00 C ATOM 1244 O VAL A 84 6.473 -16.337 0.858 1.00 0.00 O ATOM 1245 CB VAL A 84 8.862 -14.495 0.360 1.00 0.00 C ATOM 1246 CG1 VAL A 84 10.304 -14.066 0.133 1.00 0.00 C ATOM 1247 CG2 VAL A 84 8.109 -14.579 -0.959 1.00 0.00 C ATOM 0 H VAL A 84 8.492 -17.302 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 84 9.507 -15.821 1.935 1.00 0.00 H new ATOM 0 HB VAL A 84 8.377 -13.742 0.982 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.321 -13.110 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.809 -13.964 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.817 -14.817 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.156 -13.616 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.563 -15.344 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.068 -14.838 -0.768 1.00 0.00 H new ATOM 1257 N ASN A 85 7.238 -15.961 2.940 1.00 0.00 N ATOM 1258 CA ASN A 85 5.937 -16.152 3.570 1.00 0.00 C ATOM 1259 C ASN A 85 5.370 -14.824 4.061 1.00 0.00 C ATOM 1260 O ASN A 85 4.178 -14.716 4.351 1.00 0.00 O ATOM 1261 CB ASN A 85 6.052 -17.133 4.739 1.00 0.00 C ATOM 1262 CG ASN A 85 7.134 -16.734 5.724 1.00 0.00 C ATOM 1263 OD1 ASN A 85 6.955 -15.810 6.518 1.00 0.00 O ATOM 1264 ND2 ASN A 85 8.263 -17.430 5.677 1.00 0.00 N ATOM 0 H ASN A 85 7.993 -15.741 3.589 1.00 0.00 H new ATOM 0 HA ASN A 85 5.257 -16.564 2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.095 -17.190 5.258 1.00 0.00 H new ATOM 0 HB3 ASN A 85 6.265 -18.130 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.026 -17.207 6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.367 -18.188 5.002 1.00 0.00 H new ATOM 1271 N GLN A 86 6.231 -13.816 4.151 1.00 0.00 N ATOM 1272 CA GLN A 86 5.816 -12.494 4.607 1.00 0.00 C ATOM 1273 C GLN A 86 6.913 -11.464 4.360 1.00 0.00 C ATOM 1274 O GLN A 86 7.963 -11.492 5.004 1.00 0.00 O ATOM 1275 CB GLN A 86 5.461 -12.533 6.095 1.00 0.00 C ATOM 1276 CG GLN A 86 5.015 -11.190 6.649 1.00 0.00 C ATOM 1277 CD GLN A 86 4.412 -11.302 8.035 1.00 0.00 C ATOM 1278 OE1 GLN A 86 3.592 -12.182 8.298 1.00 0.00 O ATOM 1279 NE2 GLN A 86 4.815 -10.408 8.930 1.00 0.00 N ATOM 0 H GLN A 86 7.220 -13.889 3.914 1.00 0.00 H new ATOM 0 HA GLN A 86 4.934 -12.201 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.667 -13.263 6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.328 -12.879 6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.869 -10.513 6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.283 -10.747 5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.497 -9.696 8.668 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.443 -10.433 9.879 1.00 0.00 H new ATOM 1288 N LEU A 87 6.663 -10.554 3.425 1.00 0.00 N ATOM 1289 CA LEU A 87 7.629 -9.513 3.092 1.00 0.00 C ATOM 1290 C LEU A 87 7.411 -8.273 3.952 1.00 0.00 C ATOM 1291 O LEU A 87 6.284 -7.805 4.110 1.00 0.00 O ATOM 1292 CB LEU A 87 7.523 -9.146 1.611 1.00 0.00 C ATOM 1293 CG LEU A 87 7.475 -10.318 0.630 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.670 -9.947 -0.606 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.882 -10.749 0.243 1.00 0.00 C ATOM 0 H LEU A 87 5.799 -10.516 2.884 1.00 0.00 H new ATOM 0 HA LEU A 87 8.628 -9.901 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.626 -8.544 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.374 -8.516 1.352 1.00 0.00 H new ATOM 0 HG LEU A 87 6.982 -11.157 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.647 -10.793 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.652 -9.689 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.133 -9.092 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.828 -11.584 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.401 -9.915 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.426 -11.057 1.135 1.00 0.00 H new ATOM 1307 N ARG A 88 8.498 -7.744 4.505 1.00 0.00 N ATOM 1308 CA ARG A 88 8.426 -6.557 5.348 1.00 0.00 C ATOM 1309 C ARG A 88 9.436 -5.506 4.896 1.00 0.00 C ATOM 1310 O ARG A 88 10.631 -5.622 5.166 1.00 0.00 O ATOM 1311 CB ARG A 88 8.680 -6.928 6.810 1.00 0.00 C ATOM 1312 CG ARG A 88 7.960 -6.028 7.801 1.00 0.00 C ATOM 1313 CD ARG A 88 8.256 -6.431 9.237 1.00 0.00 C ATOM 1314 NE ARG A 88 9.673 -6.295 9.563 1.00 0.00 N ATOM 1315 CZ ARG A 88 10.147 -6.320 10.804 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.322 -6.476 11.830 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.450 -6.190 11.020 1.00 0.00 N ATOM 0 H ARG A 88 9.439 -8.119 4.384 1.00 0.00 H new ATOM 0 HA ARG A 88 7.425 -6.137 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.366 -7.959 6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.751 -6.886 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 88 8.264 -4.993 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.886 -6.075 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.667 -5.814 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.945 -7.464 9.395 1.00 0.00 H new ATOM 0 HE ARG A 88 10.335 -6.174 8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.320 -6.577 11.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.689 -6.495 12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.088 -6.071 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.813 -6.209 11.973 1.00 0.00 H new ATOM 1331 N PHE A 89 8.947 -4.481 4.205 1.00 0.00 N ATOM 1332 CA PHE A 89 9.806 -3.411 3.714 1.00 0.00 C ATOM 1333 C PHE A 89 9.196 -2.044 4.010 1.00 0.00 C ATOM 1334 O PHE A 89 8.114 -1.946 4.590 1.00 0.00 O ATOM 1335 CB PHE A 89 10.037 -3.564 2.209 1.00 0.00 C ATOM 1336 CG PHE A 89 8.784 -3.425 1.393 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.312 -2.174 1.031 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.077 -4.546 0.989 1.00 0.00 C ATOM 1339 CE1 PHE A 89 7.159 -2.043 0.280 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.924 -4.421 0.238 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.464 -3.168 -0.116 1.00 0.00 C ATOM 0 H PHE A 89 7.960 -4.370 3.973 1.00 0.00 H new ATOM 0 HA PHE A 89 10.763 -3.481 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.759 -2.815 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.481 -4.540 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.851 -1.291 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.431 -5.528 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.802 -1.062 0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.383 -5.303 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.562 -3.068 -0.702 1.00 0.00 H new ATOM 1351 N THR A 90 9.898 -0.989 3.607 1.00 0.00 N ATOM 1352 CA THR A 90 9.428 0.372 3.830 1.00 0.00 C ATOM 1353 C THR A 90 9.606 1.227 2.581 1.00 0.00 C ATOM 1354 O THR A 90 10.369 0.877 1.680 1.00 0.00 O ATOM 1355 CB THR A 90 10.171 1.038 5.004 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.385 0.086 6.052 1.00 0.00 O ATOM 1357 CG2 THR A 90 9.384 2.223 5.541 1.00 0.00 C ATOM 0 H THR A 90 10.794 -1.052 3.124 1.00 0.00 H new ATOM 0 HA THR A 90 8.367 0.304 4.072 1.00 0.00 H new ATOM 0 HB THR A 90 11.133 1.397 4.639 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.859 0.517 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.929 2.676 6.369 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.249 2.959 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.409 1.884 5.891 1.00 0.00 H new ATOM 1365 N VAL A 91 8.896 2.350 2.532 1.00 0.00 N ATOM 1366 CA VAL A 91 8.977 3.256 1.392 1.00 0.00 C ATOM 1367 C VAL A 91 9.281 4.680 1.843 1.00 0.00 C ATOM 1368 O VAL A 91 8.623 5.212 2.737 1.00 0.00 O ATOM 1369 CB VAL A 91 7.668 3.254 0.580 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.571 1.999 -0.273 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.467 3.374 1.506 1.00 0.00 C ATOM 0 H VAL A 91 8.259 2.654 3.268 1.00 0.00 H new ATOM 0 HA VAL A 91 9.789 2.898 0.759 1.00 0.00 H new ATOM 0 HB VAL A 91 7.672 4.117 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.640 2.015 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.415 1.962 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.589 1.119 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.551 3.371 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.456 2.532 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.533 4.305 2.069 1.00 0.00 H new ATOM 1381 N MET A 92 10.281 5.293 1.218 1.00 0.00 N ATOM 1382 CA MET A 92 10.670 6.657 1.554 1.00 0.00 C ATOM 1383 C MET A 92 10.133 7.645 0.524 1.00 0.00 C ATOM 1384 O MET A 92 9.995 7.315 -0.653 1.00 0.00 O ATOM 1385 CB MET A 92 12.194 6.769 1.640 1.00 0.00 C ATOM 1386 CG MET A 92 12.745 6.505 3.031 1.00 0.00 C ATOM 1387 SD MET A 92 14.379 7.227 3.280 1.00 0.00 S ATOM 1388 CE MET A 92 15.153 6.862 1.706 1.00 0.00 C ATOM 0 H MET A 92 10.836 4.867 0.476 1.00 0.00 H new ATOM 0 HA MET A 92 10.240 6.902 2.525 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.642 6.063 0.941 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.495 7.767 1.322 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.057 6.909 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.798 5.429 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.234 6.965 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.910 5.842 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.786 7.557 0.950 1.00 0.00 H new ATOM 1398 N ALA A 93 9.833 8.859 0.975 1.00 0.00 N ATOM 1399 CA ALA A 93 9.313 9.895 0.092 1.00 0.00 C ATOM 1400 C ALA A 93 10.069 11.206 0.278 1.00 0.00 C ATOM 1401 O ALA A 93 9.720 12.018 1.135 1.00 0.00 O ATOM 1402 CB ALA A 93 7.826 10.102 0.339 1.00 0.00 C ATOM 0 H ALA A 93 9.941 9.149 1.947 1.00 0.00 H new ATOM 0 HA ALA A 93 9.457 9.566 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.451 10.879 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.292 9.171 0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.668 10.405 1.374 1.00 0.00 H new ATOM 1408 N ARG A 94 11.107 11.405 -0.528 1.00 0.00 N ATOM 1409 CA ARG A 94 11.913 12.616 -0.450 1.00 0.00 C ATOM 1410 C ARG A 94 11.090 13.843 -0.832 1.00 0.00 C ATOM 1411 O ARG A 94 9.948 13.724 -1.274 1.00 0.00 O ATOM 1412 CB ARG A 94 13.133 12.502 -1.367 1.00 0.00 C ATOM 1413 CG ARG A 94 13.854 11.169 -1.258 1.00 0.00 C ATOM 1414 CD ARG A 94 15.240 11.233 -1.881 1.00 0.00 C ATOM 1415 NE ARG A 94 15.208 10.964 -3.316 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.188 9.742 -3.835 1.00 0.00 C ATOM 1417 NH1 ARG A 94 15.197 8.680 -3.041 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.159 9.579 -5.152 1.00 0.00 N ATOM 0 H ARG A 94 11.409 10.743 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 94 12.250 12.732 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.816 12.651 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.832 13.304 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.938 10.884 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.267 10.395 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.671 12.219 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.891 10.509 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 94 15.201 11.759 -3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.219 8.800 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.182 7.743 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.152 10.393 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.144 8.640 -5.549 1.00 0.00 H new ATOM 1520 N LYS A 101 13.586 16.079 3.664 1.00 0.00 N ATOM 1521 CA LYS A 101 12.792 15.237 4.552 1.00 0.00 C ATOM 1522 C LYS A 101 12.446 13.912 3.879 1.00 0.00 C ATOM 1523 O LYS A 101 12.130 13.871 2.690 1.00 0.00 O ATOM 1524 CB LYS A 101 11.509 15.962 4.964 1.00 0.00 C ATOM 1525 CG LYS A 101 11.719 16.999 6.054 1.00 0.00 C ATOM 1526 CD LYS A 101 11.947 16.346 7.407 1.00 0.00 C ATOM 1527 CE LYS A 101 12.770 17.238 8.324 1.00 0.00 C ATOM 1528 NZ LYS A 101 13.458 16.455 9.388 1.00 0.00 N ATOM 0 HA LYS A 101 13.386 15.029 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.080 16.449 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.781 15.227 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.575 17.625 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.849 17.654 6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.986 16.129 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.457 15.393 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.510 17.779 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.121 17.983 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.008 17.099 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.750 15.958 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.097 15.761 8.950 1.00 0.00 H new ATOM 1542 N THR A 102 12.508 12.830 4.649 1.00 0.00 N ATOM 1543 CA THR A 102 12.201 11.503 4.128 1.00 0.00 C ATOM 1544 C THR A 102 11.412 10.683 5.142 1.00 0.00 C ATOM 1545 O THR A 102 11.963 10.212 6.137 1.00 0.00 O ATOM 1546 CB THR A 102 13.484 10.737 3.751 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.408 10.763 4.844 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.133 11.343 2.517 1.00 0.00 C ATOM 0 H THR A 102 12.768 12.846 5.635 1.00 0.00 H new ATOM 0 HA THR A 102 11.596 11.647 3.233 1.00 0.00 H new ATOM 0 HB THR A 102 13.213 9.705 3.529 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.938 10.542 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.037 10.786 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.437 11.295 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.391 12.383 2.715 1.00 0.00 H new ATOM 1556 N ASP A 103 10.120 10.516 4.883 1.00 0.00 N ATOM 1557 CA ASP A 103 9.255 9.750 5.773 1.00 0.00 C ATOM 1558 C ASP A 103 9.206 8.284 5.354 1.00 0.00 C ATOM 1559 O ASP A 103 9.117 7.968 4.168 1.00 0.00 O ATOM 1560 CB ASP A 103 7.844 10.339 5.778 1.00 0.00 C ATOM 1561 CG ASP A 103 7.674 11.427 6.820 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.525 12.340 6.868 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.692 11.365 7.589 1.00 0.00 O ATOM 0 H ASP A 103 9.648 10.901 4.064 1.00 0.00 H new ATOM 0 HA ASP A 103 9.668 9.808 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.620 10.746 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.122 9.544 5.966 1.00 0.00 H new ATOM 1568 N LYS A 104 9.265 7.391 6.337 1.00 0.00 N ATOM 1569 CA LYS A 104 9.227 5.958 6.072 1.00 0.00 C ATOM 1570 C LYS A 104 7.877 5.367 6.466 1.00 0.00 C ATOM 1571 O LYS A 104 7.391 5.592 7.574 1.00 0.00 O ATOM 1572 CB LYS A 104 10.349 5.248 6.834 1.00 0.00 C ATOM 1573 CG LYS A 104 11.713 5.393 6.184 1.00 0.00 C ATOM 1574 CD LYS A 104 12.833 5.067 7.158 1.00 0.00 C ATOM 1575 CE LYS A 104 14.197 5.158 6.490 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.237 4.412 7.250 1.00 0.00 N ATOM 0 H LYS A 104 9.339 7.635 7.325 1.00 0.00 H new ATOM 0 HA LYS A 104 9.371 5.808 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.395 5.645 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.106 4.189 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.777 4.732 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.835 6.412 5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.794 5.755 8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.689 4.063 7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.133 4.761 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.490 6.204 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.152 4.498 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.317 4.807 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.970 3.409 7.310 1.00 0.00 H new ATOM 1590 N ALA A 105 7.279 4.610 5.552 1.00 0.00 N ATOM 1591 CA ALA A 105 5.987 3.985 5.806 1.00 0.00 C ATOM 1592 C ALA A 105 6.065 2.472 5.631 1.00 0.00 C ATOM 1593 O ALA A 105 6.190 1.972 4.512 1.00 0.00 O ATOM 1594 CB ALA A 105 4.927 4.571 4.885 1.00 0.00 C ATOM 0 H ALA A 105 7.668 4.415 4.630 1.00 0.00 H new ATOM 0 HA ALA A 105 5.709 4.191 6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.967 4.095 5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.844 5.643 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.209 4.395 3.847 1.00 0.00 H new ATOM 1600 N THR A 106 5.992 1.747 6.743 1.00 0.00 N ATOM 1601 CA THR A 106 6.057 0.292 6.712 1.00 0.00 C ATOM 1602 C THR A 106 4.960 -0.289 5.827 1.00 0.00 C ATOM 1603 O THR A 106 3.805 0.133 5.894 1.00 0.00 O ATOM 1604 CB THR A 106 5.931 -0.307 8.126 1.00 0.00 C ATOM 1605 OG1 THR A 106 6.765 0.415 9.039 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.320 -1.777 8.128 1.00 0.00 C ATOM 0 H THR A 106 5.888 2.145 7.677 1.00 0.00 H new ATOM 0 HA THR A 106 7.031 0.028 6.299 1.00 0.00 H new ATOM 0 HB THR A 106 4.891 -0.224 8.441 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.678 0.030 9.936 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.223 -2.178 9.137 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.664 -2.328 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.352 -1.881 7.794 1.00 0.00 H new ATOM 1614 N VAL A 107 5.327 -1.261 4.997 1.00 0.00 N ATOM 1615 CA VAL A 107 4.373 -1.901 4.100 1.00 0.00 C ATOM 1616 C VAL A 107 4.347 -3.410 4.311 1.00 0.00 C ATOM 1617 O VAL A 107 5.156 -4.142 3.741 1.00 0.00 O ATOM 1618 CB VAL A 107 4.706 -1.606 2.625 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.759 -2.359 1.703 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.648 -0.110 2.355 1.00 0.00 C ATOM 0 H VAL A 107 6.278 -1.622 4.928 1.00 0.00 H new ATOM 0 HA VAL A 107 3.392 -1.488 4.334 1.00 0.00 H new ATOM 0 HB VAL A 107 5.721 -1.950 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.009 -2.138 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.855 -3.430 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.733 -2.049 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.886 0.080 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.646 0.260 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.370 0.403 2.990 1.00 0.00 H new ATOM 1630 N VAL A 108 3.411 -3.870 5.136 1.00 0.00 N ATOM 1631 CA VAL A 108 3.278 -5.294 5.423 1.00 0.00 C ATOM 1632 C VAL A 108 2.435 -5.991 4.361 1.00 0.00 C ATOM 1633 O VAL A 108 1.278 -5.633 4.136 1.00 0.00 O ATOM 1634 CB VAL A 108 2.641 -5.530 6.805 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.640 -7.013 7.146 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.373 -4.730 7.872 1.00 0.00 C ATOM 0 H VAL A 108 2.734 -3.278 5.617 1.00 0.00 H new ATOM 0 HA VAL A 108 4.284 -5.714 5.418 1.00 0.00 H new ATOM 0 HB VAL A 108 1.606 -5.188 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.186 -7.161 8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.068 -7.559 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.665 -7.384 7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.910 -4.908 8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.418 -5.039 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.317 -3.668 7.633 1.00 0.00 H new ATOM 1646 N LEU A 109 3.021 -6.991 3.711 1.00 0.00 N ATOM 1647 CA LEU A 109 2.324 -7.741 2.672 1.00 0.00 C ATOM 1648 C LEU A 109 2.187 -9.210 3.060 1.00 0.00 C ATOM 1649 O LEU A 109 3.072 -10.019 2.785 1.00 0.00 O ATOM 1650 CB LEU A 109 3.069 -7.620 1.341 1.00 0.00 C ATOM 1651 CG LEU A 109 3.300 -6.198 0.828 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.755 -6.222 -0.623 1.00 0.00 C ATOM 1653 CD2 LEU A 109 2.037 -5.364 0.980 1.00 0.00 C ATOM 0 H LEU A 109 3.977 -7.301 3.885 1.00 0.00 H new ATOM 0 HA LEU A 109 1.325 -7.319 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.037 -8.110 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.512 -8.172 0.584 1.00 0.00 H new ATOM 0 HG LEU A 109 4.087 -5.739 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.914 -5.202 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.686 -6.782 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.991 -6.699 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.220 -4.355 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.229 -5.819 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.755 -5.319 2.032 1.00 0.00 H new ATOM 1665 N ASN A 110 1.071 -9.546 3.698 1.00 0.00 N ATOM 1666 CA ASN A 110 0.818 -10.918 4.122 1.00 0.00 C ATOM 1667 C ASN A 110 0.592 -11.827 2.917 1.00 0.00 C ATOM 1668 O ASN A 110 -0.439 -11.742 2.248 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.398 -10.971 5.050 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.148 -10.267 6.370 1.00 0.00 C ATOM 1671 OD1 ASN A 110 0.200 -10.899 7.367 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.326 -8.951 6.381 1.00 0.00 N ATOM 0 H ASN A 110 0.328 -8.888 3.933 1.00 0.00 H new ATOM 0 HA ASN A 110 1.695 -11.273 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.252 -10.512 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -0.662 -12.011 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.174 -8.423 7.240 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.615 -8.468 5.530 1.00 0.00 H new ATOM 1679 N ILE A 111 1.560 -12.696 2.648 1.00 0.00 N ATOM 1680 CA ILE A 111 1.466 -13.621 1.526 1.00 0.00 C ATOM 1681 C ILE A 111 0.342 -14.629 1.738 1.00 0.00 C ATOM 1682 O ILE A 111 0.439 -15.514 2.589 1.00 0.00 O ATOM 1683 CB ILE A 111 2.788 -14.381 1.310 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.947 -13.395 1.143 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.683 -15.293 0.098 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.891 -12.610 -0.149 1.00 0.00 C ATOM 0 H ILE A 111 2.419 -12.779 3.192 1.00 0.00 H new ATOM 0 HA ILE A 111 1.252 -13.022 0.641 1.00 0.00 H new ATOM 0 HB ILE A 111 2.983 -14.997 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.945 -12.699 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.888 -13.943 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.625 -15.823 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.881 -16.014 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.468 -14.697 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.743 -11.932 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.924 -13.298 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.966 -12.035 -0.185 1.00 0.00 H new ATOM 1698 N LYS A 112 -0.724 -14.491 0.957 1.00 0.00 N ATOM 1699 CA LYS A 112 -1.867 -15.392 1.056 1.00 0.00 C ATOM 1700 C LYS A 112 -1.622 -16.671 0.261 1.00 0.00 C ATOM 1701 O LYS A 112 -0.559 -16.849 -0.333 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.133 -14.698 0.549 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.570 -13.525 1.408 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.260 -13.991 2.679 1.00 0.00 C ATOM 1705 CE LYS A 112 -5.727 -14.307 2.433 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.457 -14.577 3.703 1.00 0.00 N ATOM 0 H LYS A 112 -0.821 -13.764 0.248 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.000 -15.657 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.962 -14.348 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.943 -15.426 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.702 -12.918 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.246 -12.888 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.755 -14.877 3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.176 -13.219 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.197 -13.471 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.807 -15.174 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.453 -14.788 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.025 -15.391 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.403 -13.741 4.319 1.00 0.00 H new ATOM 1720 N ASP A 113 -2.612 -17.556 0.254 1.00 0.00 N ATOM 1721 CA ASP A 113 -2.505 -18.817 -0.469 1.00 0.00 C ATOM 1722 C ASP A 113 -3.572 -18.913 -1.555 1.00 0.00 C ATOM 1723 O ASP A 113 -4.764 -18.784 -1.279 1.00 0.00 O ATOM 1724 CB ASP A 113 -2.635 -19.997 0.496 1.00 0.00 C ATOM 1725 CG ASP A 113 -3.698 -19.767 1.551 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -3.386 -19.131 2.580 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -4.843 -20.223 1.350 1.00 0.00 O ATOM 0 H ASP A 113 -3.498 -17.423 0.741 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.524 -18.852 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.875 -20.899 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.676 -20.172 0.983 1.00 0.00 H new