USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 57 GLN : amide:sc= 1.08 K(o=0.96,f=-1.1) USER MOD Set 1.2: A 62 CYS SG : rot 70:sc= -0.116 USER MOD Set 2.1: A 30 CYS SG : rot 26:sc= 0.103 USER MOD Set 2.2: A 79 CYS SG : rot -169:sc= -1 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.68) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -138:sc= -0.734 (180deg=-1.65!) USER MOD Single : A 33 SER OG : rot 170:sc= -0.833 USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= -0.496 (180deg=-1.81!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.909 F(o=-2.9!,f=-0.91) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0737 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 65 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.32) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 144:sc= -0.753 (180deg=-1.25) USER MOD Single : A 77 TYR OH : rot -26:sc= 0.334 USER MOD Single : A 81 CYS SG : rot -113:sc= -1.83! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 1.426 16.312 -1.823 1.00 0.00 N ATOM 81 CA ALA A 9 2.265 15.387 -1.072 1.00 0.00 C ATOM 82 C ALA A 9 3.264 14.686 -1.987 1.00 0.00 C ATOM 83 O ALA A 9 3.045 14.574 -3.193 1.00 0.00 O ATOM 84 CB ALA A 9 1.403 14.364 -0.346 1.00 0.00 C ATOM 0 HA ALA A 9 2.827 15.961 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.042 13.679 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.733 14.877 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.816 13.802 -1.072 1.00 0.00 H new ATOM 90 N LYS A 10 4.362 14.216 -1.405 1.00 0.00 N ATOM 91 CA LYS A 10 5.395 13.524 -2.167 1.00 0.00 C ATOM 92 C LYS A 10 5.815 12.234 -1.469 1.00 0.00 C ATOM 93 O LYS A 10 5.755 12.132 -0.244 1.00 0.00 O ATOM 94 CB LYS A 10 6.612 14.433 -2.356 1.00 0.00 C ATOM 95 CG LYS A 10 6.301 15.719 -3.102 1.00 0.00 C ATOM 96 CD LYS A 10 5.660 16.752 -2.191 1.00 0.00 C ATOM 97 CE LYS A 10 5.974 18.169 -2.646 1.00 0.00 C ATOM 98 NZ LYS A 10 7.344 18.589 -2.243 1.00 0.00 N ATOM 0 H LYS A 10 4.560 14.302 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 10 4.982 13.270 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.025 14.681 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.383 13.886 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.219 16.126 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.633 15.504 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.580 16.605 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.016 16.609 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.879 18.232 -3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.243 18.857 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.520 19.560 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.427 18.553 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.043 17.948 -2.669 1.00 0.00 H new ATOM 112 N PHE A 11 6.239 11.252 -2.257 1.00 0.00 N ATOM 113 CA PHE A 11 6.669 9.969 -1.714 1.00 0.00 C ATOM 114 C PHE A 11 8.137 10.017 -1.300 1.00 0.00 C ATOM 115 O PHE A 11 9.033 10.036 -2.144 1.00 0.00 O ATOM 116 CB PHE A 11 6.455 8.858 -2.745 1.00 0.00 C ATOM 117 CG PHE A 11 5.018 8.448 -2.894 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.325 7.902 -1.826 1.00 0.00 C ATOM 119 CD2 PHE A 11 4.360 8.607 -4.103 1.00 0.00 C ATOM 120 CE1 PHE A 11 3.002 7.523 -1.960 1.00 0.00 C ATOM 121 CE2 PHE A 11 3.038 8.231 -4.243 1.00 0.00 C ATOM 122 CZ PHE A 11 2.358 7.687 -3.170 1.00 0.00 C ATOM 0 H PHE A 11 6.294 11.320 -3.273 1.00 0.00 H new ATOM 0 HA PHE A 11 6.067 9.757 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.831 9.193 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.045 7.988 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.824 7.771 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.887 9.030 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.473 7.099 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.536 8.362 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.325 7.391 -3.278 1.00 0.00 H new ATOM 132 N THR A 12 8.376 10.038 0.008 1.00 0.00 N ATOM 133 CA THR A 12 9.733 10.087 0.536 1.00 0.00 C ATOM 134 C THR A 12 10.375 8.704 0.531 1.00 0.00 C ATOM 135 O THR A 12 11.585 8.572 0.353 1.00 0.00 O ATOM 136 CB THR A 12 9.759 10.647 1.971 1.00 0.00 C ATOM 137 OG1 THR A 12 8.986 9.809 2.837 1.00 0.00 O ATOM 138 CG2 THR A 12 9.210 12.065 2.007 1.00 0.00 C ATOM 0 H THR A 12 7.647 10.022 0.721 1.00 0.00 H new ATOM 0 HA THR A 12 10.301 10.751 -0.115 1.00 0.00 H new ATOM 0 HB THR A 12 10.794 10.666 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.009 10.170 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.238 12.440 3.030 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.817 12.707 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.181 12.066 1.648 1.00 0.00 H new ATOM 146 N GLU A 13 9.555 7.676 0.727 1.00 0.00 N ATOM 147 CA GLU A 13 10.045 6.302 0.745 1.00 0.00 C ATOM 148 C GLU A 13 9.532 5.526 -0.464 1.00 0.00 C ATOM 149 O GLU A 13 10.233 4.677 -1.013 1.00 0.00 O ATOM 150 CB GLU A 13 9.614 5.601 2.035 1.00 0.00 C ATOM 151 CG GLU A 13 10.136 6.270 3.295 1.00 0.00 C ATOM 152 CD GLU A 13 11.650 6.346 3.331 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.285 5.357 3.754 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.201 7.395 2.935 1.00 0.00 O ATOM 0 H GLU A 13 8.550 7.768 0.875 1.00 0.00 H new ATOM 0 HA GLU A 13 11.134 6.331 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.525 5.569 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.962 4.568 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.724 7.277 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.783 5.720 4.167 1.00 0.00 H new ATOM 161 N GLY A 14 8.303 5.824 -0.874 1.00 0.00 N ATOM 162 CA GLY A 14 7.717 5.146 -2.015 1.00 0.00 C ATOM 163 C GLY A 14 7.461 3.676 -1.747 1.00 0.00 C ATOM 164 O GLY A 14 7.964 3.118 -0.771 1.00 0.00 O ATOM 0 H GLY A 14 7.703 6.523 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.778 5.633 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.381 5.245 -2.873 1.00 0.00 H new ATOM 168 N LEU A 15 6.676 3.046 -2.614 1.00 0.00 N ATOM 169 CA LEU A 15 6.352 1.631 -2.466 1.00 0.00 C ATOM 170 C LEU A 15 7.601 0.768 -2.620 1.00 0.00 C ATOM 171 O LEU A 15 8.623 1.224 -3.132 1.00 0.00 O ATOM 172 CB LEU A 15 5.302 1.217 -3.498 1.00 0.00 C ATOM 173 CG LEU A 15 3.864 1.646 -3.201 1.00 0.00 C ATOM 174 CD1 LEU A 15 2.983 1.442 -4.423 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.313 0.876 -2.009 1.00 0.00 C ATOM 0 H LEU A 15 6.252 3.493 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 15 5.948 1.479 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.590 1.628 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.324 0.131 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 15 3.866 2.707 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.964 1.753 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.366 2.038 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.987 0.388 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.289 1.194 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.325 -0.192 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.929 1.073 -1.132 1.00 0.00 H new ATOM 187 N ARG A 16 7.509 -0.481 -2.176 1.00 0.00 N ATOM 188 CA ARG A 16 8.630 -1.408 -2.266 1.00 0.00 C ATOM 189 C ARG A 16 8.154 -2.800 -2.671 1.00 0.00 C ATOM 190 O ARG A 16 7.060 -3.224 -2.302 1.00 0.00 O ATOM 191 CB ARG A 16 9.368 -1.480 -0.927 1.00 0.00 C ATOM 192 CG ARG A 16 8.533 -2.068 0.198 1.00 0.00 C ATOM 193 CD ARG A 16 9.344 -2.213 1.476 1.00 0.00 C ATOM 194 NE ARG A 16 9.909 -0.940 1.914 1.00 0.00 N ATOM 195 CZ ARG A 16 10.329 -0.710 3.153 1.00 0.00 C ATOM 196 NH1 ARG A 16 10.250 -1.662 4.071 1.00 0.00 N ATOM 197 NH2 ARG A 16 10.832 0.476 3.475 1.00 0.00 N ATOM 0 H ARG A 16 6.670 -0.874 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 16 9.313 -1.039 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.270 -2.080 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.689 -0.477 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.670 -1.429 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.149 -3.043 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.709 -2.618 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.149 -2.930 1.315 1.00 0.00 H new ATOM 0 HE ARG A 16 9.985 -0.186 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.866 -2.575 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.573 -1.482 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.896 1.211 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.154 0.652 4.427 1.00 0.00 H new ATOM 211 N ASN A 17 8.983 -3.504 -3.435 1.00 0.00 N ATOM 212 CA ASN A 17 8.646 -4.847 -3.892 1.00 0.00 C ATOM 213 C ASN A 17 8.685 -5.841 -2.735 1.00 0.00 C ATOM 214 O ASN A 17 9.668 -5.913 -1.999 1.00 0.00 O ATOM 215 CB ASN A 17 9.612 -5.291 -4.993 1.00 0.00 C ATOM 216 CG ASN A 17 10.948 -5.747 -4.440 1.00 0.00 C ATOM 217 OD1 ASN A 17 11.732 -4.942 -3.937 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.215 -7.045 -4.533 1.00 0.00 N ATOM 0 H ASN A 17 9.893 -3.167 -3.750 1.00 0.00 H new ATOM 0 HA ASN A 17 7.633 -4.824 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.161 -6.104 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.772 -4.466 -5.687 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.099 -7.410 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.536 -7.676 -4.958 1.00 0.00 H new ATOM 225 N GLU A 18 7.608 -6.606 -2.583 1.00 0.00 N ATOM 226 CA GLU A 18 7.520 -7.596 -1.515 1.00 0.00 C ATOM 227 C GLU A 18 7.010 -8.930 -2.052 1.00 0.00 C ATOM 228 O GLU A 18 6.744 -9.070 -3.245 1.00 0.00 O ATOM 229 CB GLU A 18 6.598 -7.096 -0.401 1.00 0.00 C ATOM 230 CG GLU A 18 5.134 -7.037 -0.803 1.00 0.00 C ATOM 231 CD GLU A 18 4.216 -6.774 0.375 1.00 0.00 C ATOM 232 OE1 GLU A 18 4.651 -6.990 1.526 1.00 0.00 O ATOM 233 OE2 GLU A 18 3.063 -6.352 0.147 1.00 0.00 O ATOM 0 H GLU A 18 6.786 -6.559 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 18 8.520 -7.746 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.702 -7.749 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.922 -6.102 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.997 -6.253 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.852 -7.978 -1.275 1.00 0.00 H new ATOM 240 N GLU A 19 6.878 -9.908 -1.160 1.00 0.00 N ATOM 241 CA GLU A 19 6.401 -11.231 -1.544 1.00 0.00 C ATOM 242 C GLU A 19 5.626 -11.883 -0.403 1.00 0.00 C ATOM 243 O GLU A 19 5.845 -11.572 0.767 1.00 0.00 O ATOM 244 CB GLU A 19 7.577 -12.122 -1.952 1.00 0.00 C ATOM 245 CG GLU A 19 8.490 -12.492 -0.795 1.00 0.00 C ATOM 246 CD GLU A 19 9.721 -13.254 -1.244 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.313 -12.869 -2.274 1.00 0.00 O ATOM 248 OE2 GLU A 19 10.093 -14.234 -0.566 1.00 0.00 O ATOM 0 H GLU A 19 7.095 -9.809 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 19 5.730 -11.115 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.190 -13.035 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.162 -11.610 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.798 -11.585 -0.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.935 -13.096 -0.078 1.00 0.00 H new ATOM 255 N ALA A 20 4.719 -12.790 -0.753 1.00 0.00 N ATOM 256 CA ALA A 20 3.913 -13.487 0.241 1.00 0.00 C ATOM 257 C ALA A 20 3.431 -14.833 -0.289 1.00 0.00 C ATOM 258 O ALA A 20 3.791 -15.242 -1.393 1.00 0.00 O ATOM 259 CB ALA A 20 2.729 -12.627 0.657 1.00 0.00 C ATOM 0 H ALA A 20 4.525 -13.059 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 20 4.538 -13.673 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.135 -13.160 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.091 -11.692 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.111 -12.412 -0.215 1.00 0.00 H new ATOM 265 N VAL A 21 2.615 -15.519 0.506 1.00 0.00 N ATOM 266 CA VAL A 21 2.083 -16.819 0.116 1.00 0.00 C ATOM 267 C VAL A 21 0.601 -16.727 -0.226 1.00 0.00 C ATOM 268 O VAL A 21 -0.163 -16.049 0.460 1.00 0.00 O ATOM 269 CB VAL A 21 2.277 -17.862 1.233 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.718 -19.211 0.807 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.748 -17.979 1.602 1.00 0.00 C ATOM 0 H VAL A 21 2.308 -15.196 1.424 1.00 0.00 H new ATOM 0 HA VAL A 21 2.637 -17.135 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 21 1.729 -17.530 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.864 -19.935 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.653 -19.113 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.236 -19.553 -0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.867 -18.720 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.319 -18.287 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.113 -17.013 1.952 1.00 0.00 H new ATOM 281 N GLU A 22 0.201 -17.414 -1.292 1.00 0.00 N ATOM 282 CA GLU A 22 -1.192 -17.408 -1.725 1.00 0.00 C ATOM 283 C GLU A 22 -2.135 -17.460 -0.526 1.00 0.00 C ATOM 284 O GLU A 22 -1.840 -18.101 0.482 1.00 0.00 O ATOM 285 CB GLU A 22 -1.465 -18.593 -2.654 1.00 0.00 C ATOM 286 CG GLU A 22 -1.146 -18.308 -4.112 1.00 0.00 C ATOM 287 CD GLU A 22 -1.994 -19.129 -5.065 1.00 0.00 C ATOM 288 OE1 GLU A 22 -3.160 -18.749 -5.299 1.00 0.00 O ATOM 289 OE2 GLU A 22 -1.490 -20.151 -5.577 1.00 0.00 O ATOM 0 H GLU A 22 0.821 -17.981 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.373 -16.480 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.876 -19.448 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.514 -18.877 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.302 -17.248 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.092 -18.516 -4.297 1.00 0.00 H new ATOM 296 N GLY A 23 -3.271 -16.780 -0.644 1.00 0.00 N ATOM 297 CA GLY A 23 -4.239 -16.761 0.437 1.00 0.00 C ATOM 298 C GLY A 23 -3.879 -15.764 1.520 1.00 0.00 C ATOM 299 O GLY A 23 -4.751 -15.088 2.066 1.00 0.00 O ATOM 0 H GLY A 23 -3.538 -16.242 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.223 -16.517 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.311 -17.757 0.874 1.00 0.00 H new ATOM 303 N ALA A 24 -2.591 -15.672 1.834 1.00 0.00 N ATOM 304 CA ALA A 24 -2.118 -14.751 2.859 1.00 0.00 C ATOM 305 C ALA A 24 -2.582 -13.326 2.573 1.00 0.00 C ATOM 306 O ALA A 24 -3.315 -13.081 1.615 1.00 0.00 O ATOM 307 CB ALA A 24 -0.601 -14.804 2.957 1.00 0.00 C ATOM 0 H ALA A 24 -1.856 -16.225 1.393 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.544 -15.059 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.262 -14.111 3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.288 -15.815 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.164 -14.524 1.998 1.00 0.00 H new ATOM 313 N THR A 25 -2.151 -12.389 3.412 1.00 0.00 N ATOM 314 CA THR A 25 -2.524 -10.989 3.250 1.00 0.00 C ATOM 315 C THR A 25 -1.296 -10.117 3.014 1.00 0.00 C ATOM 316 O THR A 25 -0.523 -9.855 3.935 1.00 0.00 O ATOM 317 CB THR A 25 -3.283 -10.464 4.484 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.405 -11.308 4.764 1.00 0.00 O ATOM 319 CG2 THR A 25 -3.759 -9.037 4.259 1.00 0.00 C ATOM 0 H THR A 25 -1.544 -12.574 4.210 1.00 0.00 H new ATOM 0 HA THR A 25 -3.178 -10.934 2.380 1.00 0.00 H new ATOM 0 HB THR A 25 -2.601 -10.473 5.334 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.881 -10.969 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.292 -8.688 5.143 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.900 -8.392 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.426 -9.008 3.398 1.00 0.00 H new ATOM 327 N ALA A 26 -1.124 -9.669 1.775 1.00 0.00 N ATOM 328 CA ALA A 26 0.009 -8.824 1.419 1.00 0.00 C ATOM 329 C ALA A 26 0.116 -7.626 2.356 1.00 0.00 C ATOM 330 O ALA A 26 -0.745 -7.415 3.210 1.00 0.00 O ATOM 331 CB ALA A 26 -0.113 -8.358 -0.024 1.00 0.00 C ATOM 0 H ALA A 26 -1.755 -9.877 1.001 1.00 0.00 H new ATOM 0 HA ALA A 26 0.918 -9.416 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.740 -7.728 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.133 -9.224 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.034 -7.788 -0.146 1.00 0.00 H new ATOM 337 N MET A 27 1.178 -6.844 2.192 1.00 0.00 N ATOM 338 CA MET A 27 1.397 -5.667 3.024 1.00 0.00 C ATOM 339 C MET A 27 2.191 -4.607 2.268 1.00 0.00 C ATOM 340 O MET A 27 3.390 -4.765 2.032 1.00 0.00 O ATOM 341 CB MET A 27 2.133 -6.053 4.308 1.00 0.00 C ATOM 342 CG MET A 27 2.508 -4.862 5.175 1.00 0.00 C ATOM 343 SD MET A 27 1.151 -4.315 6.229 1.00 0.00 S ATOM 344 CE MET A 27 0.340 -3.136 5.152 1.00 0.00 C ATOM 0 H MET A 27 1.901 -7.004 1.490 1.00 0.00 H new ATOM 0 HA MET A 27 0.424 -5.250 3.283 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.505 -6.730 4.887 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.038 -6.602 4.047 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.363 -5.126 5.798 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.822 -4.037 4.536 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.054 -2.255 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.022 -2.843 4.354 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.550 -3.592 4.719 1.00 0.00 H new ATOM 354 N LEU A 28 1.517 -3.526 1.889 1.00 0.00 N ATOM 355 CA LEU A 28 2.160 -2.440 1.159 1.00 0.00 C ATOM 356 C LEU A 28 1.931 -1.103 1.858 1.00 0.00 C ATOM 357 O LEU A 28 0.798 -0.633 1.964 1.00 0.00 O ATOM 358 CB LEU A 28 1.628 -2.376 -0.274 1.00 0.00 C ATOM 359 CG LEU A 28 2.009 -3.545 -1.183 1.00 0.00 C ATOM 360 CD1 LEU A 28 1.037 -3.654 -2.348 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.435 -3.384 -1.690 1.00 0.00 C ATOM 0 H LEU A 28 0.525 -3.379 2.076 1.00 0.00 H new ATOM 0 HA LEU A 28 3.232 -2.638 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.541 -2.312 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.985 -1.454 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 28 1.953 -4.465 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.324 -4.491 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.029 -3.817 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.061 -2.732 -2.929 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.689 -4.225 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.518 -2.455 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.121 -3.356 -0.844 1.00 0.00 H new ATOM 373 N TRP A 29 3.013 -0.496 2.332 1.00 0.00 N ATOM 374 CA TRP A 29 2.930 0.788 3.019 1.00 0.00 C ATOM 375 C TRP A 29 3.832 1.821 2.353 1.00 0.00 C ATOM 376 O TRP A 29 4.747 1.470 1.606 1.00 0.00 O ATOM 377 CB TRP A 29 3.317 0.628 4.490 1.00 0.00 C ATOM 378 CG TRP A 29 4.768 0.313 4.692 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.324 -0.924 4.855 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.848 1.251 4.754 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.684 -0.811 5.014 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.031 0.513 4.956 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.932 2.643 4.657 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.279 1.121 5.063 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.171 3.245 4.764 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.331 2.485 4.964 1.00 0.00 C ATOM 0 H TRP A 29 3.958 -0.872 2.253 1.00 0.00 H new ATOM 0 HA TRP A 29 1.900 1.139 2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.074 1.547 5.024 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.715 -0.166 4.932 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.775 -1.854 4.858 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.331 -1.587 5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.044 3.237 4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.174 0.537 5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.247 4.320 4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.285 2.985 5.042 1.00 0.00 H new ATOM 397 N CYS A 30 3.569 3.094 2.626 1.00 0.00 N ATOM 398 CA CYS A 30 4.357 4.178 2.052 1.00 0.00 C ATOM 399 C CYS A 30 4.211 5.453 2.877 1.00 0.00 C ATOM 400 O CYS A 30 3.197 5.658 3.544 1.00 0.00 O ATOM 401 CB CYS A 30 3.928 4.439 0.608 1.00 0.00 C ATOM 402 SG CYS A 30 2.171 4.821 0.417 1.00 0.00 S ATOM 0 H CYS A 30 2.816 3.401 3.242 1.00 0.00 H new ATOM 0 HA CYS A 30 5.405 3.878 2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.514 5.267 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.166 3.562 0.006 1.00 0.00 H new ATOM 0 HG CYS A 30 1.714 5.325 1.525 1.00 0.00 H new ATOM 408 N GLU A 31 5.231 6.304 2.828 1.00 0.00 N ATOM 409 CA GLU A 31 5.215 7.557 3.573 1.00 0.00 C ATOM 410 C GLU A 31 5.077 8.749 2.631 1.00 0.00 C ATOM 411 O GLU A 31 5.447 8.675 1.458 1.00 0.00 O ATOM 412 CB GLU A 31 6.492 7.697 4.406 1.00 0.00 C ATOM 413 CG GLU A 31 6.374 7.112 5.803 1.00 0.00 C ATOM 414 CD GLU A 31 7.667 7.216 6.590 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.735 6.916 6.018 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.608 7.598 7.777 1.00 0.00 O ATOM 0 H GLU A 31 6.078 6.149 2.281 1.00 0.00 H new ATOM 0 HA GLU A 31 4.353 7.542 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.312 7.205 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.751 8.753 4.484 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.581 7.629 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.080 6.065 5.731 1.00 0.00 H new ATOM 423 N LEU A 32 4.541 9.848 3.151 1.00 0.00 N ATOM 424 CA LEU A 32 4.352 11.057 2.357 1.00 0.00 C ATOM 425 C LEU A 32 4.796 12.293 3.132 1.00 0.00 C ATOM 426 O LEU A 32 4.715 12.330 4.360 1.00 0.00 O ATOM 427 CB LEU A 32 2.885 11.198 1.947 1.00 0.00 C ATOM 428 CG LEU A 32 2.205 9.927 1.437 1.00 0.00 C ATOM 429 CD1 LEU A 32 0.717 9.955 1.750 1.00 0.00 C ATOM 430 CD2 LEU A 32 2.434 9.763 -0.058 1.00 0.00 C ATOM 0 H LEU A 32 4.230 9.927 4.119 1.00 0.00 H new ATOM 0 HA LEU A 32 4.967 10.973 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.323 11.568 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.817 11.959 1.170 1.00 0.00 H new ATOM 0 HG LEU A 32 2.647 9.072 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.250 9.042 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.573 10.024 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.260 10.818 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.943 8.853 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.020 10.622 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.504 9.696 -0.257 1.00 0.00 H new ATOM 442 N SER A 33 5.265 13.303 2.407 1.00 0.00 N ATOM 443 CA SER A 33 5.724 14.541 3.027 1.00 0.00 C ATOM 444 C SER A 33 4.642 15.132 3.926 1.00 0.00 C ATOM 445 O SER A 33 4.910 16.010 4.746 1.00 0.00 O ATOM 446 CB SER A 33 6.122 15.556 1.954 1.00 0.00 C ATOM 447 OG SER A 33 4.996 16.288 1.501 1.00 0.00 O ATOM 0 H SER A 33 5.337 13.289 1.390 1.00 0.00 H new ATOM 0 HA SER A 33 6.595 14.310 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.867 16.242 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.585 15.039 1.114 1.00 0.00 H new ATOM 0 HG SER A 33 5.295 17.034 0.940 1.00 0.00 H new ATOM 453 N LYS A 34 3.416 14.644 3.765 1.00 0.00 N ATOM 454 CA LYS A 34 2.292 15.121 4.562 1.00 0.00 C ATOM 455 C LYS A 34 1.107 14.166 4.456 1.00 0.00 C ATOM 456 O LYS A 34 1.056 13.320 3.564 1.00 0.00 O ATOM 457 CB LYS A 34 1.875 16.521 4.106 1.00 0.00 C ATOM 458 CG LYS A 34 2.024 16.743 2.611 1.00 0.00 C ATOM 459 CD LYS A 34 1.079 17.823 2.111 1.00 0.00 C ATOM 460 CE LYS A 34 -0.302 17.259 1.810 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.163 17.222 3.024 1.00 0.00 N ATOM 0 H LYS A 34 3.176 13.918 3.090 1.00 0.00 H new ATOM 0 HA LYS A 34 2.609 15.165 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.836 16.692 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.475 17.261 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.052 17.025 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.825 15.811 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.996 18.611 2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.491 18.280 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.783 17.866 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.203 16.252 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.136 17.485 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.158 16.262 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.798 17.893 3.729 1.00 0.00 H new ATOM 475 N VAL A 35 0.154 14.310 5.371 1.00 0.00 N ATOM 476 CA VAL A 35 -1.033 13.462 5.379 1.00 0.00 C ATOM 477 C VAL A 35 -1.956 13.798 4.213 1.00 0.00 C ATOM 478 O VAL A 35 -2.704 14.774 4.262 1.00 0.00 O ATOM 479 CB VAL A 35 -1.816 13.605 6.697 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.960 12.604 6.750 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.888 13.431 7.890 1.00 0.00 C ATOM 0 H VAL A 35 0.180 15.006 6.116 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.688 12.433 5.280 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.241 14.608 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.502 12.720 7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.638 12.782 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.561 11.592 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.458 13.535 8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.432 12.442 7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.108 14.191 7.858 1.00 0.00 H new ATOM 491 N ALA A 36 -1.897 12.983 3.165 1.00 0.00 N ATOM 492 CA ALA A 36 -2.730 13.192 1.987 1.00 0.00 C ATOM 493 C ALA A 36 -3.433 11.903 1.576 1.00 0.00 C ATOM 494 O ALA A 36 -2.920 10.800 1.766 1.00 0.00 O ATOM 495 CB ALA A 36 -1.891 13.728 0.836 1.00 0.00 C ATOM 0 H ALA A 36 -1.281 12.172 3.108 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.494 13.927 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.526 13.879 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.440 14.677 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.106 13.012 0.594 1.00 0.00 H new ATOM 501 N PRO A 37 -4.636 12.042 0.999 1.00 0.00 N ATOM 502 CA PRO A 37 -5.435 10.899 0.549 1.00 0.00 C ATOM 503 C PRO A 37 -4.824 10.206 -0.664 1.00 0.00 C ATOM 504 O PRO A 37 -4.782 10.769 -1.758 1.00 0.00 O ATOM 505 CB PRO A 37 -6.781 11.529 0.183 1.00 0.00 C ATOM 506 CG PRO A 37 -6.459 12.945 -0.149 1.00 0.00 C ATOM 507 CD PRO A 37 -5.308 13.327 0.740 1.00 0.00 C ATOM 0 HA PRO A 37 -5.505 10.125 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.240 11.018 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.486 11.467 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.191 13.048 -1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.319 13.592 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.642 14.038 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.651 13.794 1.663 1.00 0.00 H new ATOM 515 N VAL A 38 -4.351 8.980 -0.464 1.00 0.00 N ATOM 516 CA VAL A 38 -3.743 8.209 -1.543 1.00 0.00 C ATOM 517 C VAL A 38 -4.780 7.344 -2.251 1.00 0.00 C ATOM 518 O VAL A 38 -5.842 7.056 -1.701 1.00 0.00 O ATOM 519 CB VAL A 38 -2.610 7.308 -1.019 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.475 8.150 -0.454 1.00 0.00 C ATOM 521 CG2 VAL A 38 -3.139 6.341 0.030 1.00 0.00 C ATOM 0 H VAL A 38 -4.377 8.499 0.435 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.328 8.927 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.219 6.726 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.684 7.496 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.078 8.798 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.849 8.761 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.324 5.712 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.558 6.903 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.914 5.714 -0.411 1.00 0.00 H new ATOM 531 N GLU A 39 -4.462 6.931 -3.474 1.00 0.00 N ATOM 532 CA GLU A 39 -5.366 6.098 -4.257 1.00 0.00 C ATOM 533 C GLU A 39 -4.640 4.873 -4.805 1.00 0.00 C ATOM 534 O GLU A 39 -3.915 4.959 -5.796 1.00 0.00 O ATOM 535 CB GLU A 39 -5.969 6.905 -5.410 1.00 0.00 C ATOM 536 CG GLU A 39 -6.662 8.181 -4.962 1.00 0.00 C ATOM 537 CD GLU A 39 -7.742 8.627 -5.928 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.689 7.847 -6.162 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.641 9.758 -6.449 1.00 0.00 O ATOM 0 H GLU A 39 -3.586 7.160 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.168 5.760 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.179 7.159 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.685 6.281 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.102 8.025 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.922 8.975 -4.858 1.00 0.00 H new ATOM 546 N TRP A 40 -4.841 3.733 -4.153 1.00 0.00 N ATOM 547 CA TRP A 40 -4.206 2.490 -4.574 1.00 0.00 C ATOM 548 C TRP A 40 -4.818 1.977 -5.873 1.00 0.00 C ATOM 549 O TRP A 40 -6.037 1.997 -6.045 1.00 0.00 O ATOM 550 CB TRP A 40 -4.339 1.429 -3.480 1.00 0.00 C ATOM 551 CG TRP A 40 -3.817 1.880 -2.149 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.454 2.686 -1.249 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.549 1.552 -1.570 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.659 2.879 -0.145 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.486 2.193 -0.317 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.463 0.778 -1.986 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.378 2.084 0.520 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.364 0.671 -1.155 1.00 0.00 C ATOM 559 CH2 TRP A 40 -0.329 1.320 0.087 1.00 0.00 C ATOM 0 H TRP A 40 -5.439 3.644 -3.331 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.149 2.693 -4.748 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.389 1.154 -3.376 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.803 0.531 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.438 3.109 -1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.903 3.442 0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.482 0.272 -2.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.348 2.585 1.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.482 0.077 -1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.544 1.215 0.715 1.00 0.00 H new ATOM 570 N ARG A 41 -3.966 1.519 -6.784 1.00 0.00 N ATOM 571 CA ARG A 41 -4.425 1.003 -8.068 1.00 0.00 C ATOM 572 C ARG A 41 -3.519 -0.124 -8.555 1.00 0.00 C ATOM 573 O ARG A 41 -2.367 -0.237 -8.134 1.00 0.00 O ATOM 574 CB ARG A 41 -4.466 2.124 -9.107 1.00 0.00 C ATOM 575 CG ARG A 41 -5.736 2.958 -9.053 1.00 0.00 C ATOM 576 CD ARG A 41 -5.642 4.175 -9.960 1.00 0.00 C ATOM 577 NE ARG A 41 -6.109 3.885 -11.314 1.00 0.00 N ATOM 578 CZ ARG A 41 -5.915 4.696 -12.347 1.00 0.00 C ATOM 579 NH1 ARG A 41 -5.265 5.840 -12.184 1.00 0.00 N ATOM 580 NH2 ARG A 41 -6.369 4.363 -13.549 1.00 0.00 N ATOM 0 H ARG A 41 -2.954 1.495 -6.657 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.431 0.605 -7.933 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.606 2.777 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.369 1.690 -10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.587 2.346 -9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.918 3.280 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.233 4.988 -9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.609 4.520 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.611 3.012 -11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.912 6.099 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.118 6.461 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.868 3.483 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.219 4.987 -14.342 1.00 0.00 H new ATOM 594 N LYS A 42 -4.046 -0.957 -9.446 1.00 0.00 N ATOM 595 CA LYS A 42 -3.287 -2.075 -9.992 1.00 0.00 C ATOM 596 C LYS A 42 -3.337 -2.074 -11.517 1.00 0.00 C ATOM 597 O LYS A 42 -4.170 -2.750 -12.120 1.00 0.00 O ATOM 598 CB LYS A 42 -3.832 -3.400 -9.454 1.00 0.00 C ATOM 599 CG LYS A 42 -3.020 -4.611 -9.884 1.00 0.00 C ATOM 600 CD LYS A 42 -3.490 -5.874 -9.182 1.00 0.00 C ATOM 601 CE LYS A 42 -2.921 -7.121 -9.841 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.779 -7.599 -10.960 1.00 0.00 N ATOM 0 H LYS A 42 -4.997 -0.878 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.249 -1.963 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.857 -3.358 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.861 -3.524 -9.792 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.102 -4.741 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.966 -4.441 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.188 -5.844 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.579 -5.917 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.920 -6.908 -10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.821 -7.911 -9.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.356 -8.450 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.727 -7.826 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.854 -6.855 -11.683 1.00 0.00 H new ATOM 616 N GLY A 43 -2.441 -1.311 -12.134 1.00 0.00 N ATOM 617 CA GLY A 43 -2.400 -1.237 -13.583 1.00 0.00 C ATOM 618 C GLY A 43 -3.752 -0.911 -14.185 1.00 0.00 C ATOM 619 O GLY A 43 -4.323 0.152 -13.942 1.00 0.00 O ATOM 0 H GLY A 43 -1.742 -0.742 -11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.679 -0.478 -13.885 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.048 -2.188 -13.983 1.00 0.00 H new ATOM 623 N PRO A 44 -4.285 -1.840 -14.992 1.00 0.00 N ATOM 624 CA PRO A 44 -5.584 -1.668 -15.648 1.00 0.00 C ATOM 625 C PRO A 44 -6.744 -1.721 -14.660 1.00 0.00 C ATOM 626 O PRO A 44 -7.869 -1.343 -14.989 1.00 0.00 O ATOM 627 CB PRO A 44 -5.653 -2.852 -16.616 1.00 0.00 C ATOM 628 CG PRO A 44 -4.764 -3.885 -16.015 1.00 0.00 C ATOM 629 CD PRO A 44 -3.660 -3.131 -15.326 1.00 0.00 C ATOM 0 HA PRO A 44 -5.669 -0.696 -16.135 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.674 -3.220 -16.719 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.314 -2.569 -17.612 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.312 -4.508 -15.308 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.364 -4.549 -16.781 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.313 -3.652 -14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.795 -3.002 -15.976 1.00 0.00 H new ATOM 637 N GLU A 45 -6.463 -2.191 -13.449 1.00 0.00 N ATOM 638 CA GLU A 45 -7.485 -2.293 -12.413 1.00 0.00 C ATOM 639 C GLU A 45 -7.448 -1.077 -11.492 1.00 0.00 C ATOM 640 O GLU A 45 -6.597 -0.201 -11.636 1.00 0.00 O ATOM 641 CB GLU A 45 -7.290 -3.572 -11.597 1.00 0.00 C ATOM 642 CG GLU A 45 -8.016 -4.777 -12.170 1.00 0.00 C ATOM 643 CD GLU A 45 -9.442 -4.460 -12.577 1.00 0.00 C ATOM 644 OE1 GLU A 45 -10.229 -4.041 -11.703 1.00 0.00 O ATOM 645 OE2 GLU A 45 -9.770 -4.631 -13.770 1.00 0.00 O ATOM 0 H GLU A 45 -5.537 -2.507 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.459 -2.328 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.225 -3.795 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.638 -3.400 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.469 -5.148 -13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.023 -5.578 -11.431 1.00 0.00 H new ATOM 652 N ASN A 46 -8.379 -1.032 -10.544 1.00 0.00 N ATOM 653 CA ASN A 46 -8.455 0.076 -9.599 1.00 0.00 C ATOM 654 C ASN A 46 -8.872 -0.416 -8.216 1.00 0.00 C ATOM 655 O ASN A 46 -9.916 -1.051 -8.060 1.00 0.00 O ATOM 656 CB ASN A 46 -9.444 1.132 -10.097 1.00 0.00 C ATOM 657 CG ASN A 46 -10.791 0.536 -10.461 1.00 0.00 C ATOM 658 OD1 ASN A 46 -10.787 -0.406 -11.396 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -11.821 0.920 -9.907 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.091 -1.750 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.464 0.524 -9.522 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.581 1.890 -9.326 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.025 1.636 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.775 1.647 -9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.720 0.511 -10.162 1.00 0.00 H new ATOM 666 N LEU A 47 -8.050 -0.118 -7.216 1.00 0.00 N ATOM 667 CA LEU A 47 -8.333 -0.529 -5.845 1.00 0.00 C ATOM 668 C LEU A 47 -8.828 0.650 -5.014 1.00 0.00 C ATOM 669 O LEU A 47 -8.646 1.808 -5.392 1.00 0.00 O ATOM 670 CB LEU A 47 -7.081 -1.130 -5.203 1.00 0.00 C ATOM 671 CG LEU A 47 -6.210 -1.997 -6.113 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.983 -2.492 -5.364 1.00 0.00 C ATOM 673 CD2 LEU A 47 -7.012 -3.169 -6.660 1.00 0.00 C ATOM 0 H LEU A 47 -7.182 0.407 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.118 -1.285 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.469 -0.315 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.389 -1.731 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.876 -1.387 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.375 -3.107 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.397 -1.639 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.296 -3.085 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.376 -3.775 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.376 -3.779 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.859 -2.794 -7.234 1.00 0.00 H new ATOM 685 N ARG A 48 -9.452 0.348 -3.881 1.00 0.00 N ATOM 686 CA ARG A 48 -9.973 1.383 -2.996 1.00 0.00 C ATOM 687 C ARG A 48 -10.346 0.799 -1.636 1.00 0.00 C ATOM 688 O ARG A 48 -10.443 -0.418 -1.478 1.00 0.00 O ATOM 689 CB ARG A 48 -11.193 2.057 -3.626 1.00 0.00 C ATOM 690 CG ARG A 48 -12.352 1.106 -3.876 1.00 0.00 C ATOM 691 CD ARG A 48 -13.642 1.861 -4.153 1.00 0.00 C ATOM 692 NE ARG A 48 -14.600 1.053 -4.903 1.00 0.00 N ATOM 693 CZ ARG A 48 -15.347 0.101 -4.354 1.00 0.00 C ATOM 694 NH1 ARG A 48 -15.247 -0.160 -3.058 1.00 0.00 N ATOM 695 NH2 ARG A 48 -16.195 -0.592 -5.102 1.00 0.00 N ATOM 0 H ARG A 48 -9.609 -0.605 -3.554 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.191 2.128 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.529 2.863 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.898 2.513 -4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.118 0.460 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.487 0.459 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.090 2.171 -3.209 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.417 2.769 -4.713 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.701 1.229 -5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.595 0.371 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.822 -0.891 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.274 -0.394 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.768 -1.323 -4.680 1.00 0.00 H new ATOM 709 N ASP A 49 -10.553 1.675 -0.659 1.00 0.00 N ATOM 710 CA ASP A 49 -10.916 1.246 0.687 1.00 0.00 C ATOM 711 C ASP A 49 -12.232 0.475 0.675 1.00 0.00 C ATOM 712 O ASP A 49 -13.310 1.067 0.632 1.00 0.00 O ATOM 713 CB ASP A 49 -11.028 2.455 1.617 1.00 0.00 C ATOM 714 CG ASP A 49 -11.748 2.126 2.910 1.00 0.00 C ATOM 715 OD1 ASP A 49 -11.572 0.998 3.417 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.486 2.997 3.416 1.00 0.00 O ATOM 0 H ASP A 49 -10.476 2.686 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.132 0.585 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.030 2.828 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.558 3.257 1.103 1.00 0.00 H new ATOM 721 N GLY A 50 -12.136 -0.851 0.713 1.00 0.00 N ATOM 722 CA GLY A 50 -13.326 -1.681 0.704 1.00 0.00 C ATOM 723 C GLY A 50 -13.212 -2.868 1.641 1.00 0.00 C ATOM 724 O GLY A 50 -12.253 -2.973 2.406 1.00 0.00 O ATOM 0 H GLY A 50 -11.255 -1.365 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.188 -1.078 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.509 -2.038 -0.310 1.00 0.00 H new ATOM 728 N ASP A 51 -14.192 -3.762 1.583 1.00 0.00 N ATOM 729 CA ASP A 51 -14.198 -4.947 2.433 1.00 0.00 C ATOM 730 C ASP A 51 -12.957 -5.799 2.186 1.00 0.00 C ATOM 731 O ASP A 51 -12.124 -5.972 3.076 1.00 0.00 O ATOM 732 CB ASP A 51 -15.459 -5.775 2.182 1.00 0.00 C ATOM 733 CG ASP A 51 -16.715 -5.080 2.672 1.00 0.00 C ATOM 734 OD1 ASP A 51 -16.794 -4.783 3.882 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.619 -4.835 1.846 1.00 0.00 O ATOM 0 H ASP A 51 -14.993 -3.689 0.956 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.190 -4.618 3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.551 -5.976 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.362 -6.739 2.681 1.00 0.00 H new ATOM 740 N ARG A 52 -12.842 -6.330 0.973 1.00 0.00 N ATOM 741 CA ARG A 52 -11.705 -7.166 0.610 1.00 0.00 C ATOM 742 C ARG A 52 -10.394 -6.403 0.776 1.00 0.00 C ATOM 743 O ARG A 52 -9.391 -6.961 1.220 1.00 0.00 O ATOM 744 CB ARG A 52 -11.844 -7.654 -0.833 1.00 0.00 C ATOM 745 CG ARG A 52 -12.023 -6.531 -1.842 1.00 0.00 C ATOM 746 CD ARG A 52 -12.400 -7.069 -3.213 1.00 0.00 C ATOM 747 NE ARG A 52 -11.338 -7.889 -3.790 1.00 0.00 N ATOM 748 CZ ARG A 52 -11.304 -8.255 -5.067 1.00 0.00 C ATOM 749 NH1 ARG A 52 -12.267 -7.875 -5.895 1.00 0.00 N ATOM 750 NH2 ARG A 52 -10.304 -9.002 -5.517 1.00 0.00 N ATOM 0 H ARG A 52 -13.523 -6.196 0.225 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.691 -8.027 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.959 -8.232 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.697 -8.329 -0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.796 -5.847 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.100 -5.957 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.312 -7.661 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.619 -6.236 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.581 -8.198 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.037 -7.300 -5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.238 -8.157 -6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.561 -9.295 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.278 -9.283 -6.497 1.00 0.00 H new ATOM 764 N TYR A 53 -10.410 -5.124 0.416 1.00 0.00 N ATOM 765 CA TYR A 53 -9.222 -4.285 0.522 1.00 0.00 C ATOM 766 C TYR A 53 -9.247 -3.466 1.809 1.00 0.00 C ATOM 767 O TYR A 53 -9.943 -2.455 1.901 1.00 0.00 O ATOM 768 CB TYR A 53 -9.121 -3.353 -0.687 1.00 0.00 C ATOM 769 CG TYR A 53 -8.821 -4.072 -1.982 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.567 -4.623 -2.219 1.00 0.00 C ATOM 771 CD2 TYR A 53 -9.789 -4.200 -2.970 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.287 -5.281 -3.402 1.00 0.00 C ATOM 773 CE2 TYR A 53 -9.519 -4.857 -4.155 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.267 -5.395 -4.366 1.00 0.00 C ATOM 775 OH TYR A 53 -7.993 -6.049 -5.546 1.00 0.00 O ATOM 0 H TYR A 53 -11.233 -4.646 0.048 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.348 -4.937 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.058 -2.807 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.341 -2.615 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.798 -4.535 -1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -10.770 -3.778 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.307 -5.703 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.284 -4.949 -4.912 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.790 -6.042 -6.117 1.00 0.00 H new ATOM 785 N ILE A 54 -8.482 -3.912 2.800 1.00 0.00 N ATOM 786 CA ILE A 54 -8.414 -3.220 4.081 1.00 0.00 C ATOM 787 C ILE A 54 -7.385 -2.096 4.045 1.00 0.00 C ATOM 788 O ILE A 54 -6.191 -2.325 4.244 1.00 0.00 O ATOM 789 CB ILE A 54 -8.060 -4.189 5.226 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.126 -5.280 5.347 1.00 0.00 C ATOM 791 CG2 ILE A 54 -7.919 -3.430 6.537 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.708 -6.437 6.227 1.00 0.00 C ATOM 0 H ILE A 54 -7.901 -4.748 2.740 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.402 -2.798 4.265 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.105 -4.664 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.040 -4.841 5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.363 -5.657 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.669 -4.128 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.128 -2.686 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.859 -2.931 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.512 -7.172 6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.812 -6.901 5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.499 -6.072 7.233 1.00 0.00 H new ATOM 804 N LEU A 55 -7.854 -0.879 3.793 1.00 0.00 N ATOM 805 CA LEU A 55 -6.975 0.283 3.733 1.00 0.00 C ATOM 806 C LEU A 55 -6.962 1.026 5.065 1.00 0.00 C ATOM 807 O LEU A 55 -7.966 1.060 5.778 1.00 0.00 O ATOM 808 CB LEU A 55 -7.420 1.227 2.614 1.00 0.00 C ATOM 809 CG LEU A 55 -7.098 0.777 1.189 1.00 0.00 C ATOM 810 CD1 LEU A 55 -7.969 -0.405 0.793 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.283 1.929 0.211 1.00 0.00 C ATOM 0 H LEU A 55 -8.839 -0.671 3.627 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.964 -0.068 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.498 1.370 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.956 2.199 2.780 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.055 0.461 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.726 -0.712 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.788 -1.235 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.019 -0.116 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.049 1.590 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.316 2.275 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.616 2.747 0.483 1.00 0.00 H new ATOM 823 N ARG A 56 -5.820 1.621 5.394 1.00 0.00 N ATOM 824 CA ARG A 56 -5.677 2.364 6.641 1.00 0.00 C ATOM 825 C ARG A 56 -4.737 3.552 6.460 1.00 0.00 C ATOM 826 O ARG A 56 -3.940 3.587 5.523 1.00 0.00 O ATOM 827 CB ARG A 56 -5.153 1.448 7.748 1.00 0.00 C ATOM 828 CG ARG A 56 -6.244 0.656 8.450 1.00 0.00 C ATOM 829 CD ARG A 56 -5.681 -0.175 9.593 1.00 0.00 C ATOM 830 NE ARG A 56 -6.692 -0.470 10.605 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.088 0.403 11.525 1.00 0.00 C ATOM 832 NH1 ARG A 56 -6.562 1.619 11.560 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.014 0.059 12.411 1.00 0.00 N ATOM 0 H ARG A 56 -4.981 1.603 4.815 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.659 2.740 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.429 0.754 7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.621 2.050 8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.001 1.339 8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.739 0.002 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.279 -1.109 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.851 0.359 10.055 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.117 -1.397 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.851 1.887 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.868 2.287 12.268 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.422 -0.876 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.318 0.729 13.117 1.00 0.00 H new ATOM 847 N GLN A 57 -4.836 4.521 7.364 1.00 0.00 N ATOM 848 CA GLN A 57 -3.995 5.711 7.303 1.00 0.00 C ATOM 849 C GLN A 57 -4.029 6.469 8.626 1.00 0.00 C ATOM 850 O GLN A 57 -5.039 7.077 8.978 1.00 0.00 O ATOM 851 CB GLN A 57 -4.451 6.626 6.166 1.00 0.00 C ATOM 852 CG GLN A 57 -3.449 7.717 5.823 1.00 0.00 C ATOM 853 CD GLN A 57 -3.756 8.399 4.505 1.00 0.00 C ATOM 854 OE1 GLN A 57 -4.801 8.160 3.898 1.00 0.00 O ATOM 855 NE2 GLN A 57 -2.846 9.254 4.054 1.00 0.00 N ATOM 0 H GLN A 57 -5.490 4.506 8.147 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.970 5.392 7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.637 6.023 5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.399 7.088 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.441 8.461 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.449 7.286 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.994 9.422 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.999 9.743 3.172 1.00 0.00 H new ATOM 864 N GLU A 58 -2.917 6.428 9.355 1.00 0.00 N ATOM 865 CA GLU A 58 -2.821 7.110 10.640 1.00 0.00 C ATOM 866 C GLU A 58 -2.315 8.539 10.460 1.00 0.00 C ATOM 867 O GLU A 58 -2.663 9.434 11.230 1.00 0.00 O ATOM 868 CB GLU A 58 -1.891 6.343 11.582 1.00 0.00 C ATOM 869 CG GLU A 58 -2.529 5.106 12.192 1.00 0.00 C ATOM 870 CD GLU A 58 -1.506 4.069 12.612 1.00 0.00 C ATOM 871 OE1 GLU A 58 -0.961 3.381 11.723 1.00 0.00 O ATOM 872 OE2 GLU A 58 -1.250 3.945 13.828 1.00 0.00 O ATOM 0 H GLU A 58 -2.071 5.930 9.077 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.818 7.148 11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.996 6.048 11.035 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.569 7.008 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.122 5.398 13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.215 4.662 11.471 1.00 0.00 H new ATOM 879 N GLY A 59 -1.491 8.744 9.437 1.00 0.00 N ATOM 880 CA GLY A 59 -0.949 10.065 9.175 1.00 0.00 C ATOM 881 C GLY A 59 -0.209 10.136 7.854 1.00 0.00 C ATOM 882 O GLY A 59 -0.798 9.937 6.791 1.00 0.00 O ATOM 0 H GLY A 59 -1.189 8.020 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.760 10.793 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.272 10.343 9.983 1.00 0.00 H new ATOM 886 N THR A 60 1.087 10.424 7.919 1.00 0.00 N ATOM 887 CA THR A 60 1.908 10.524 6.719 1.00 0.00 C ATOM 888 C THR A 60 2.264 9.143 6.179 1.00 0.00 C ATOM 889 O THR A 60 3.016 9.019 5.212 1.00 0.00 O ATOM 890 CB THR A 60 3.207 11.307 6.991 1.00 0.00 C ATOM 891 OG1 THR A 60 3.870 10.772 8.142 1.00 0.00 O ATOM 892 CG2 THR A 60 2.913 12.783 7.209 1.00 0.00 C ATOM 0 H THR A 60 1.591 10.592 8.790 1.00 0.00 H new ATOM 0 HA THR A 60 1.318 11.060 5.976 1.00 0.00 H new ATOM 0 HB THR A 60 3.855 11.207 6.120 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.695 11.274 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.845 13.315 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.435 13.194 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.248 12.899 8.065 1.00 0.00 H new ATOM 900 N ARG A 61 1.719 8.108 6.809 1.00 0.00 N ATOM 901 CA ARG A 61 1.980 6.736 6.392 1.00 0.00 C ATOM 902 C ARG A 61 0.679 6.015 6.052 1.00 0.00 C ATOM 903 O ARG A 61 -0.288 6.064 6.813 1.00 0.00 O ATOM 904 CB ARG A 61 2.722 5.978 7.494 1.00 0.00 C ATOM 905 CG ARG A 61 2.956 4.511 7.172 1.00 0.00 C ATOM 906 CD ARG A 61 3.465 3.748 8.386 1.00 0.00 C ATOM 907 NE ARG A 61 3.069 2.343 8.355 1.00 0.00 N ATOM 908 CZ ARG A 61 3.536 1.429 9.198 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.412 1.771 10.133 1.00 0.00 N ATOM 910 NH2 ARG A 61 3.128 0.170 9.107 1.00 0.00 N ATOM 0 H ARG A 61 1.094 8.194 7.610 1.00 0.00 H new ATOM 0 HA ARG A 61 2.603 6.767 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.683 6.460 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.153 6.052 8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.027 4.062 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.677 4.426 6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.552 3.817 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.081 4.213 9.294 1.00 0.00 H new ATOM 0 HE ARG A 61 2.397 2.047 7.647 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.729 2.738 10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.769 1.067 10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.455 -0.097 8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.488 -0.531 9.755 1.00 0.00 H new ATOM 924 N CYS A 62 0.662 5.347 4.903 1.00 0.00 N ATOM 925 CA CYS A 62 -0.521 4.616 4.461 1.00 0.00 C ATOM 926 C CYS A 62 -0.270 3.112 4.480 1.00 0.00 C ATOM 927 O CYS A 62 0.835 2.654 4.189 1.00 0.00 O ATOM 928 CB CYS A 62 -0.923 5.061 3.054 1.00 0.00 C ATOM 929 SG CYS A 62 -0.987 6.854 2.836 1.00 0.00 S ATOM 0 H CYS A 62 1.453 5.297 4.261 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.335 4.838 5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.216 4.644 2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.901 4.642 2.818 1.00 0.00 H new ATOM 0 HG CYS A 62 0.219 7.339 2.869 1.00 0.00 H new ATOM 935 N GLU A 63 -1.301 2.349 4.827 1.00 0.00 N ATOM 936 CA GLU A 63 -1.191 0.897 4.887 1.00 0.00 C ATOM 937 C GLU A 63 -2.291 0.233 4.064 1.00 0.00 C ATOM 938 O GLU A 63 -3.467 0.575 4.188 1.00 0.00 O ATOM 939 CB GLU A 63 -1.265 0.416 6.338 1.00 0.00 C ATOM 940 CG GLU A 63 -0.197 1.021 7.235 1.00 0.00 C ATOM 941 CD GLU A 63 -0.545 0.918 8.707 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.981 -0.169 9.139 1.00 0.00 O ATOM 943 OE2 GLU A 63 -0.380 1.925 9.427 1.00 0.00 O ATOM 0 H GLU A 63 -2.222 2.713 5.071 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.226 0.615 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.248 0.659 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.171 -0.670 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.752 0.517 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.057 2.069 6.971 1.00 0.00 H new ATOM 950 N LEU A 64 -1.900 -0.718 3.222 1.00 0.00 N ATOM 951 CA LEU A 64 -2.851 -1.430 2.377 1.00 0.00 C ATOM 952 C LEU A 64 -2.770 -2.935 2.613 1.00 0.00 C ATOM 953 O LEU A 64 -1.697 -3.531 2.515 1.00 0.00 O ATOM 954 CB LEU A 64 -2.587 -1.119 0.903 1.00 0.00 C ATOM 955 CG LEU A 64 -3.232 -2.066 -0.109 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.729 -1.811 -0.200 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.580 -1.912 -1.476 1.00 0.00 C ATOM 0 H LEU A 64 -0.931 -1.013 3.107 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.854 -1.093 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.937 -0.107 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.509 -1.123 0.739 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.078 -3.090 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.171 -2.494 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.186 -1.973 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.904 -0.783 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.052 -2.594 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.702 -0.886 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.518 -2.145 -1.401 1.00 0.00 H new ATOM 969 N GLN A 65 -3.910 -3.543 2.924 1.00 0.00 N ATOM 970 CA GLN A 65 -3.967 -4.978 3.173 1.00 0.00 C ATOM 971 C GLN A 65 -4.885 -5.669 2.170 1.00 0.00 C ATOM 972 O GLN A 65 -6.075 -5.362 2.091 1.00 0.00 O ATOM 973 CB GLN A 65 -4.451 -5.252 4.598 1.00 0.00 C ATOM 974 CG GLN A 65 -3.326 -5.336 5.617 1.00 0.00 C ATOM 975 CD GLN A 65 -3.766 -4.924 7.008 1.00 0.00 C ATOM 976 OE1 GLN A 65 -4.398 -3.883 7.189 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.434 -5.742 8.000 1.00 0.00 N ATOM 0 H GLN A 65 -4.806 -3.064 3.010 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.961 -5.381 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.142 -4.463 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.011 -6.187 4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.945 -6.357 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.502 -4.698 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.909 -6.595 7.804 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.704 -5.518 8.958 1.00 0.00 H new ATOM 986 N ILE A 66 -4.326 -6.601 1.407 1.00 0.00 N ATOM 987 CA ILE A 66 -5.095 -7.335 0.410 1.00 0.00 C ATOM 988 C ILE A 66 -5.537 -8.692 0.946 1.00 0.00 C ATOM 989 O ILE A 66 -4.812 -9.682 0.833 1.00 0.00 O ATOM 990 CB ILE A 66 -4.286 -7.545 -0.883 1.00 0.00 C ATOM 991 CG1 ILE A 66 -3.750 -6.208 -1.399 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.145 -8.221 -1.942 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.450 -6.332 -2.162 1.00 0.00 C ATOM 0 H ILE A 66 -3.342 -6.866 1.460 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.975 -6.732 0.184 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.438 -8.194 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.499 -5.751 -2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.604 -5.534 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.559 -8.362 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.482 -9.190 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.010 -7.596 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.130 -5.346 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.686 -6.760 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.596 -6.980 -3.026 1.00 0.00 H new ATOM 1005 N CYS A 67 -6.730 -8.732 1.529 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.270 -9.969 2.082 1.00 0.00 C ATOM 1007 C CYS A 67 -7.629 -10.951 0.971 1.00 0.00 C ATOM 1008 O CYS A 67 -8.523 -10.694 0.166 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.504 -9.674 2.936 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.813 -10.896 4.232 1.00 0.00 S ATOM 0 H CYS A 67 -7.342 -7.922 1.631 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.503 -10.423 2.709 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.388 -8.693 3.397 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.378 -9.620 2.287 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.875 -10.559 4.902 1.00 0.00 H new ATOM 1016 N GLY A 68 -6.923 -12.077 0.933 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.180 -13.080 -0.084 1.00 0.00 C ATOM 1018 C GLY A 68 -6.206 -12.994 -1.243 1.00 0.00 C ATOM 1019 O GLY A 68 -6.578 -12.599 -2.349 1.00 0.00 O ATOM 0 H GLY A 68 -6.178 -12.312 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.119 -14.072 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.197 -12.961 -0.458 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.955 -13.362 -0.989 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.923 -13.323 -2.020 1.00 0.00 C ATOM 1025 C LEU A 69 -4.087 -14.482 -2.998 1.00 0.00 C ATOM 1026 O LEU A 69 -4.778 -15.458 -2.710 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.534 -13.374 -1.380 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.071 -12.095 -0.681 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -0.998 -12.410 0.350 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.555 -11.088 -1.699 1.00 0.00 C ATOM 0 H LEU A 69 -4.631 -13.690 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.029 -12.389 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.520 -14.187 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.808 -13.625 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.925 -11.656 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.680 -11.488 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.400 -13.095 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.143 -12.872 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.230 -10.184 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.714 -11.518 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.351 -10.839 -2.401 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.444 -14.367 -4.156 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.516 -15.407 -5.175 1.00 0.00 C ATOM 1044 C ALA A 70 -2.570 -15.105 -6.334 1.00 0.00 C ATOM 1045 O ALA A 70 -2.258 -13.947 -6.607 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.943 -15.553 -5.681 1.00 0.00 C ATOM 0 H ALA A 70 -2.868 -13.565 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.206 -16.348 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.981 -16.333 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.597 -15.822 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.274 -14.609 -6.113 1.00 0.00 H new ATOM 1052 N MET A 71 -2.118 -16.156 -7.011 1.00 0.00 N ATOM 1053 CA MET A 71 -1.208 -16.002 -8.140 1.00 0.00 C ATOM 1054 C MET A 71 -1.541 -14.747 -8.940 1.00 0.00 C ATOM 1055 O MET A 71 -0.648 -14.056 -9.428 1.00 0.00 O ATOM 1056 CB MET A 71 -1.276 -17.232 -9.048 1.00 0.00 C ATOM 1057 CG MET A 71 -0.859 -18.521 -8.357 1.00 0.00 C ATOM 1058 SD MET A 71 0.907 -18.849 -8.507 1.00 0.00 S ATOM 1059 CE MET A 71 1.512 -18.158 -6.969 1.00 0.00 C ATOM 0 H MET A 71 -2.367 -17.122 -6.798 1.00 0.00 H new ATOM 0 HA MET A 71 -0.196 -15.903 -7.748 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.294 -17.342 -9.421 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.635 -17.070 -9.914 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.126 -18.466 -7.302 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.417 -19.354 -8.784 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.334 -18.768 -6.594 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.864 -17.141 -7.141 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.707 -18.144 -6.235 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.832 -14.458 -9.069 1.00 0.00 N ATOM 1070 CA ALA A 72 -3.282 -13.284 -9.807 1.00 0.00 C ATOM 1071 C ALA A 72 -2.824 -11.999 -9.128 1.00 0.00 C ATOM 1072 O ALA A 72 -2.251 -11.117 -9.768 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.797 -13.298 -9.948 1.00 0.00 C ATOM 0 H ALA A 72 -3.584 -15.021 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.835 -13.317 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.119 -12.416 -10.501 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.104 -14.195 -10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.255 -13.293 -8.959 1.00 0.00 H new ATOM 1079 N ASP A 73 -3.080 -11.898 -7.828 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.693 -10.720 -7.061 1.00 0.00 C ATOM 1081 C ASP A 73 -1.294 -10.253 -7.452 1.00 0.00 C ATOM 1082 O ASP A 73 -1.037 -9.054 -7.559 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.744 -11.021 -5.562 1.00 0.00 C ATOM 1084 CG ASP A 73 -4.161 -11.200 -5.056 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.889 -12.045 -5.617 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.543 -10.495 -4.098 1.00 0.00 O ATOM 0 H ASP A 73 -3.554 -12.618 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.400 -9.921 -7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.171 -11.925 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.266 -10.209 -5.015 1.00 0.00 H new ATOM 1091 N ALA A 74 -0.394 -11.207 -7.661 1.00 0.00 N ATOM 1092 CA ALA A 74 0.978 -10.894 -8.041 1.00 0.00 C ATOM 1093 C ALA A 74 1.018 -10.065 -9.320 1.00 0.00 C ATOM 1094 O ALA A 74 0.458 -10.456 -10.343 1.00 0.00 O ATOM 1095 CB ALA A 74 1.784 -12.173 -8.213 1.00 0.00 C ATOM 0 H ALA A 74 -0.590 -12.204 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 74 1.424 -10.302 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.806 -11.923 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.793 -12.727 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.331 -12.787 -8.992 1.00 0.00 H new ATOM 1101 N GLY A 75 1.684 -8.916 -9.255 1.00 0.00 N ATOM 1102 CA GLY A 75 1.784 -8.049 -10.414 1.00 0.00 C ATOM 1103 C GLY A 75 2.490 -6.744 -10.104 1.00 0.00 C ATOM 1104 O GLY A 75 3.662 -6.739 -9.730 1.00 0.00 O ATOM 0 H GLY A 75 2.156 -8.570 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.321 -8.569 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.784 -7.836 -10.792 1.00 0.00 H new ATOM 1108 N GLU A 76 1.775 -5.634 -10.261 1.00 0.00 N ATOM 1109 CA GLU A 76 2.341 -4.317 -9.997 1.00 0.00 C ATOM 1110 C GLU A 76 1.308 -3.400 -9.351 1.00 0.00 C ATOM 1111 O GLU A 76 0.254 -3.129 -9.928 1.00 0.00 O ATOM 1112 CB GLU A 76 2.857 -3.690 -11.294 1.00 0.00 C ATOM 1113 CG GLU A 76 3.088 -2.191 -11.195 1.00 0.00 C ATOM 1114 CD GLU A 76 3.653 -1.603 -12.474 1.00 0.00 C ATOM 1115 OE1 GLU A 76 3.140 -1.945 -13.560 1.00 0.00 O ATOM 1116 OE2 GLU A 76 4.606 -0.801 -12.388 1.00 0.00 O ATOM 0 H GLU A 76 0.803 -5.621 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 76 3.174 -4.440 -9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.791 -4.175 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.142 -3.887 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.146 -1.697 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.772 -1.986 -10.372 1.00 0.00 H new ATOM 1123 N TYR A 77 1.616 -2.924 -8.149 1.00 0.00 N ATOM 1124 CA TYR A 77 0.713 -2.039 -7.423 1.00 0.00 C ATOM 1125 C TYR A 77 1.223 -0.601 -7.447 1.00 0.00 C ATOM 1126 O TYR A 77 2.385 -0.337 -7.136 1.00 0.00 O ATOM 1127 CB TYR A 77 0.556 -2.512 -5.977 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.226 -3.799 -5.842 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.339 -5.018 -6.197 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.529 -3.797 -5.362 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.372 -6.197 -6.076 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.247 -4.970 -5.237 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.664 -6.168 -5.595 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.376 -7.339 -5.473 1.00 0.00 O ATOM 0 H TYR A 77 2.484 -3.136 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.259 -2.069 -7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.545 -2.650 -5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.058 -1.732 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.351 -5.045 -6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.989 -2.861 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.082 -7.136 -6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.259 -4.950 -4.861 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.034 -7.998 -6.112 1.00 0.00 H new ATOM 1144 N LEU A 78 0.346 0.324 -7.818 1.00 0.00 N ATOM 1145 CA LEU A 78 0.705 1.737 -7.883 1.00 0.00 C ATOM 1146 C LEU A 78 -0.101 2.550 -6.875 1.00 0.00 C ATOM 1147 O LEU A 78 -1.285 2.290 -6.658 1.00 0.00 O ATOM 1148 CB LEU A 78 0.472 2.278 -9.294 1.00 0.00 C ATOM 1149 CG LEU A 78 1.444 1.790 -10.369 1.00 0.00 C ATOM 1150 CD1 LEU A 78 0.961 0.479 -10.970 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.616 2.844 -11.452 1.00 0.00 C ATOM 0 H LEU A 78 -0.619 0.122 -8.079 1.00 0.00 H new ATOM 0 HA LEU A 78 1.762 1.830 -7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.540 2.013 -9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.519 3.366 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 78 2.414 1.617 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.665 0.147 -11.733 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.892 -0.276 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.020 0.625 -11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.311 2.479 -12.208 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.651 3.050 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.009 3.759 -11.010 1.00 0.00 H new ATOM 1163 N CYS A 79 0.547 3.535 -6.264 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.109 4.388 -5.280 1.00 0.00 C ATOM 1165 C CYS A 79 -0.052 5.852 -5.704 1.00 0.00 C ATOM 1166 O CYS A 79 1.014 6.469 -5.702 1.00 0.00 O ATOM 1167 CB CYS A 79 0.545 4.216 -3.908 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.358 5.008 -2.556 1.00 0.00 S ATOM 0 H CYS A 79 1.527 3.763 -6.433 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.155 4.088 -5.216 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.640 3.152 -3.693 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.555 4.625 -3.945 1.00 0.00 H new ATOM 0 HG CYS A 79 0.380 5.013 -1.486 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.205 6.403 -6.069 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.287 7.794 -6.497 1.00 0.00 C ATOM 1176 C VAL A 80 -1.537 8.720 -5.312 1.00 0.00 C ATOM 1177 O VAL A 80 -2.430 8.476 -4.499 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.403 7.997 -7.539 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.265 9.353 -8.213 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.382 6.876 -8.567 1.00 0.00 C ATOM 0 H VAL A 80 -2.096 5.907 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.328 8.042 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.364 7.970 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.062 9.478 -8.946 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.335 10.141 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.299 9.414 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.177 7.035 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.419 6.868 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.535 5.920 -8.066 1.00 0.00 H new ATOM 1190 N CYS A 81 -0.746 9.782 -5.221 1.00 0.00 N ATOM 1191 CA CYS A 81 -0.881 10.746 -4.134 1.00 0.00 C ATOM 1192 C CYS A 81 -0.658 12.168 -4.638 1.00 0.00 C ATOM 1193 O CYS A 81 0.387 12.479 -5.207 1.00 0.00 O ATOM 1194 CB CYS A 81 0.110 10.426 -3.015 1.00 0.00 C ATOM 1195 SG CYS A 81 1.831 10.800 -3.424 1.00 0.00 S ATOM 0 H CYS A 81 -0.004 9.998 -5.887 1.00 0.00 H new ATOM 0 HA CYS A 81 -1.895 10.675 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.171 10.988 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.029 9.368 -2.764 1.00 0.00 H new ATOM 0 HG CYS A 81 2.508 9.693 -3.507 1.00 0.00 H new ATOM 1201 N GLY A 82 -1.649 13.028 -4.425 1.00 0.00 N ATOM 1202 CA GLY A 82 -1.542 14.407 -4.864 1.00 0.00 C ATOM 1203 C GLY A 82 -1.117 14.522 -6.315 1.00 0.00 C ATOM 1204 O GLY A 82 -1.907 14.259 -7.222 1.00 0.00 O ATOM 0 H GLY A 82 -2.524 12.794 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.503 14.904 -4.730 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.822 14.931 -4.235 1.00 0.00 H new ATOM 1208 N GLN A 83 0.133 14.916 -6.534 1.00 0.00 N ATOM 1209 CA GLN A 83 0.660 15.066 -7.885 1.00 0.00 C ATOM 1210 C GLN A 83 1.824 14.111 -8.125 1.00 0.00 C ATOM 1211 O GLN A 83 2.739 14.413 -8.891 1.00 0.00 O ATOM 1212 CB GLN A 83 1.112 16.509 -8.121 1.00 0.00 C ATOM 1213 CG GLN A 83 -0.008 17.431 -8.573 1.00 0.00 C ATOM 1214 CD GLN A 83 -0.155 17.476 -10.081 1.00 0.00 C ATOM 1215 OE1 GLN A 83 0.784 17.824 -10.798 1.00 0.00 O ATOM 1216 NE2 GLN A 83 -1.337 17.123 -10.572 1.00 0.00 N ATOM 0 H GLN A 83 0.799 15.137 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.137 14.822 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.544 16.901 -7.200 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.902 16.515 -8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.947 17.100 -8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.182 18.437 -8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.088 16.841 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.494 17.133 -11.580 1.00 0.00 H new ATOM 1225 N GLU A 84 1.783 12.957 -7.465 1.00 0.00 N ATOM 1226 CA GLU A 84 2.835 11.959 -7.607 1.00 0.00 C ATOM 1227 C GLU A 84 2.244 10.555 -7.699 1.00 0.00 C ATOM 1228 O GLU A 84 1.030 10.373 -7.605 1.00 0.00 O ATOM 1229 CB GLU A 84 3.807 12.039 -6.428 1.00 0.00 C ATOM 1230 CG GLU A 84 4.544 13.364 -6.336 1.00 0.00 C ATOM 1231 CD GLU A 84 5.583 13.532 -7.428 1.00 0.00 C ATOM 1232 OE1 GLU A 84 5.193 13.810 -8.581 1.00 0.00 O ATOM 1233 OE2 GLU A 84 6.786 13.384 -7.128 1.00 0.00 O ATOM 0 H GLU A 84 1.033 12.691 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 84 3.377 12.168 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.256 11.874 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.536 11.233 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.824 14.180 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.030 13.438 -5.363 1.00 0.00 H new ATOM 1240 N ARG A 85 3.112 9.565 -7.883 1.00 0.00 N ATOM 1241 CA ARG A 85 2.677 8.177 -7.989 1.00 0.00 C ATOM 1242 C ARG A 85 3.875 7.235 -8.046 1.00 0.00 C ATOM 1243 O ARG A 85 4.839 7.480 -8.773 1.00 0.00 O ATOM 1244 CB ARG A 85 1.805 7.988 -9.232 1.00 0.00 C ATOM 1245 CG ARG A 85 2.522 8.310 -10.533 1.00 0.00 C ATOM 1246 CD ARG A 85 1.728 7.835 -11.739 1.00 0.00 C ATOM 1247 NE ARG A 85 2.440 8.071 -12.992 1.00 0.00 N ATOM 1248 CZ ARG A 85 2.025 7.619 -14.170 1.00 0.00 C ATOM 1249 NH1 ARG A 85 0.907 6.912 -14.256 1.00 0.00 N ATOM 1250 NH2 ARG A 85 2.729 7.875 -15.266 1.00 0.00 N ATOM 0 H ARG A 85 4.120 9.698 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 85 2.091 7.937 -7.102 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.454 6.957 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.923 8.622 -9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.684 9.386 -10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.505 7.839 -10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.517 6.770 -11.637 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.767 8.349 -11.766 1.00 0.00 H new ATOM 0 HE ARG A 85 3.304 8.613 -12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.363 6.714 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.591 6.566 -15.162 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.589 8.419 -15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.409 7.527 -16.170 1.00 0.00 H new ATOM 1264 N THR A 86 3.810 6.155 -7.273 1.00 0.00 N ATOM 1265 CA THR A 86 4.889 5.176 -7.234 1.00 0.00 C ATOM 1266 C THR A 86 4.372 3.775 -7.539 1.00 0.00 C ATOM 1267 O THR A 86 3.241 3.432 -7.195 1.00 0.00 O ATOM 1268 CB THR A 86 5.588 5.166 -5.862 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.547 4.103 -5.809 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.575 4.998 -4.739 1.00 0.00 C ATOM 0 H THR A 86 3.021 5.936 -6.665 1.00 0.00 H new ATOM 0 HA THR A 86 5.609 5.468 -7.998 1.00 0.00 H new ATOM 0 HB THR A 86 6.096 6.121 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.197 4.284 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.093 4.994 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.864 5.824 -4.764 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.042 4.056 -4.868 1.00 0.00 H new ATOM 1278 N SER A 87 5.207 2.968 -8.186 1.00 0.00 N ATOM 1279 CA SER A 87 4.833 1.604 -8.540 1.00 0.00 C ATOM 1280 C SER A 87 5.779 0.596 -7.894 1.00 0.00 C ATOM 1281 O SER A 87 6.940 0.902 -7.627 1.00 0.00 O ATOM 1282 CB SER A 87 4.841 1.428 -10.059 1.00 0.00 C ATOM 1283 OG SER A 87 6.164 1.445 -10.567 1.00 0.00 O ATOM 0 H SER A 87 6.148 3.236 -8.476 1.00 0.00 H new ATOM 0 HA SER A 87 3.826 1.421 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.359 0.486 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.259 2.224 -10.524 1.00 0.00 H new ATOM 0 HG SER A 87 6.142 1.329 -11.540 1.00 0.00 H new ATOM 1289 N ALA A 88 5.272 -0.607 -7.646 1.00 0.00 N ATOM 1290 CA ALA A 88 6.071 -1.661 -7.034 1.00 0.00 C ATOM 1291 C ALA A 88 5.755 -3.019 -7.652 1.00 0.00 C ATOM 1292 O ALA A 88 4.976 -3.115 -8.601 1.00 0.00 O ATOM 1293 CB ALA A 88 5.836 -1.696 -5.531 1.00 0.00 C ATOM 0 H ALA A 88 4.312 -0.876 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 88 7.122 -1.441 -7.222 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.439 -2.488 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.119 -0.737 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.782 -1.888 -5.332 1.00 0.00 H new ATOM 1299 N THR A 89 6.365 -4.068 -7.110 1.00 0.00 N ATOM 1300 CA THR A 89 6.151 -5.420 -7.609 1.00 0.00 C ATOM 1301 C THR A 89 5.904 -6.396 -6.465 1.00 0.00 C ATOM 1302 O THR A 89 6.701 -6.487 -5.530 1.00 0.00 O ATOM 1303 CB THR A 89 7.353 -5.911 -8.437 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.771 -4.888 -9.348 1.00 0.00 O ATOM 1305 CG2 THR A 89 6.999 -7.172 -9.211 1.00 0.00 C ATOM 0 H THR A 89 7.012 -4.007 -6.324 1.00 0.00 H new ATOM 0 HA THR A 89 5.269 -5.384 -8.249 1.00 0.00 H new ATOM 0 HB THR A 89 8.168 -6.142 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.537 -5.207 -9.870 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.864 -7.500 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.710 -7.958 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.170 -6.963 -9.887 1.00 0.00 H new ATOM 1313 N LEU A 90 4.796 -7.125 -6.544 1.00 0.00 N ATOM 1314 CA LEU A 90 4.444 -8.097 -5.514 1.00 0.00 C ATOM 1315 C LEU A 90 4.637 -9.522 -6.022 1.00 0.00 C ATOM 1316 O LEU A 90 4.463 -9.800 -7.209 1.00 0.00 O ATOM 1317 CB LEU A 90 2.995 -7.894 -5.068 1.00 0.00 C ATOM 1318 CG LEU A 90 2.435 -8.946 -4.109 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.053 -8.792 -2.728 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.919 -8.843 -4.032 1.00 0.00 C ATOM 0 H LEU A 90 4.126 -7.062 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 90 5.105 -7.942 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.916 -6.917 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.363 -7.867 -5.956 1.00 0.00 H new ATOM 0 HG LEU A 90 2.693 -9.934 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.643 -9.549 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.134 -8.916 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.826 -7.800 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.537 -9.599 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.639 -7.852 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.493 -9.004 -5.022 1.00 0.00 H new ATOM 1332 N THR A 91 4.997 -10.425 -5.114 1.00 0.00 N ATOM 1333 CA THR A 91 5.212 -11.822 -5.469 1.00 0.00 C ATOM 1334 C THR A 91 4.330 -12.743 -4.635 1.00 0.00 C ATOM 1335 O THR A 91 4.215 -12.576 -3.420 1.00 0.00 O ATOM 1336 CB THR A 91 6.685 -12.229 -5.278 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.497 -11.621 -6.290 1.00 0.00 O ATOM 1338 CG2 THR A 91 6.841 -13.741 -5.337 1.00 0.00 C ATOM 0 H THR A 91 5.146 -10.213 -4.127 1.00 0.00 H new ATOM 0 HA THR A 91 4.947 -11.925 -6.521 1.00 0.00 H new ATOM 0 HB THR A 91 7.009 -11.884 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.432 -11.883 -6.160 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.890 -14.004 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.245 -14.199 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.500 -14.104 -6.306 1.00 0.00 H new ATOM 1346 N ILE A 92 3.709 -13.716 -5.294 1.00 0.00 N ATOM 1347 CA ILE A 92 2.838 -14.665 -4.611 1.00 0.00 C ATOM 1348 C ILE A 92 3.436 -16.068 -4.626 1.00 0.00 C ATOM 1349 O ILE A 92 3.886 -16.551 -5.665 1.00 0.00 O ATOM 1350 CB ILE A 92 1.439 -14.709 -5.254 1.00 0.00 C ATOM 1351 CG1 ILE A 92 0.825 -13.308 -5.285 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.538 -15.671 -4.495 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.539 -12.742 -3.912 1.00 0.00 C ATOM 0 H ILE A 92 3.793 -13.868 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 92 2.745 -14.323 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 92 1.537 -15.066 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.502 -12.635 -5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.103 -13.339 -5.856 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.447 -15.691 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.971 -16.671 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.443 -15.341 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.105 -11.747 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.162 -13.393 -3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.467 -12.678 -3.344 1.00 0.00 H new ATOM 1365 N ARG A 93 3.435 -16.718 -3.467 1.00 0.00 N ATOM 1366 CA ARG A 93 3.976 -18.066 -3.346 1.00 0.00 C ATOM 1367 C ARG A 93 2.855 -19.093 -3.218 1.00 0.00 C ATOM 1368 O ARG A 93 2.165 -19.149 -2.200 1.00 0.00 O ATOM 1369 CB ARG A 93 4.908 -18.159 -2.136 1.00 0.00 C ATOM 1370 CG ARG A 93 6.319 -17.667 -2.415 1.00 0.00 C ATOM 1371 CD ARG A 93 6.977 -18.466 -3.529 1.00 0.00 C ATOM 1372 NE ARG A 93 8.434 -18.389 -3.471 1.00 0.00 N ATOM 1373 CZ ARG A 93 9.240 -19.139 -4.215 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.733 -20.016 -5.069 1.00 0.00 N ATOM 1375 NH2 ARG A 93 10.556 -19.011 -4.105 1.00 0.00 N ATOM 0 H ARG A 93 3.065 -16.333 -2.598 1.00 0.00 H new ATOM 0 HA ARG A 93 4.544 -18.284 -4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.485 -17.578 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.953 -19.195 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.290 -16.613 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.918 -17.744 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.666 -19.508 -3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.633 -18.094 -4.494 1.00 0.00 H new ATOM 0 HE ARG A 93 8.856 -17.723 -2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.722 -20.117 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.354 -20.590 -5.639 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.950 -18.337 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.174 -19.587 -4.676 1.00 0.00 H new ATOM 1389 N ALA A 94 2.679 -19.903 -4.257 1.00 0.00 N ATOM 1390 CA ALA A 94 1.642 -20.928 -4.259 1.00 0.00 C ATOM 1391 C ALA A 94 1.648 -21.718 -2.955 1.00 0.00 C ATOM 1392 O ALA A 94 2.665 -22.301 -2.575 1.00 0.00 O ATOM 1393 CB ALA A 94 1.828 -21.862 -5.446 1.00 0.00 C ATOM 0 H ALA A 94 3.241 -19.869 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 94 0.675 -20.433 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.048 -22.623 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.766 -21.290 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.804 -22.343 -5.381 1.00 0.00 H new ATOM 1399 N LEU A 95 0.509 -21.733 -2.273 1.00 0.00 N ATOM 1400 CA LEU A 95 0.383 -22.451 -1.009 1.00 0.00 C ATOM 1401 C LEU A 95 0.897 -23.881 -1.142 1.00 0.00 C ATOM 1402 O LEU A 95 0.890 -24.471 -2.223 1.00 0.00 O ATOM 1403 CB LEU A 95 -1.076 -22.463 -0.550 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.596 -21.163 0.066 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -3.117 -21.144 0.066 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -1.059 -20.990 1.479 1.00 0.00 C ATOM 0 H LEU A 95 -0.341 -21.256 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 95 0.988 -21.934 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.703 -22.713 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.200 -23.263 0.180 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.242 -20.329 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.469 -20.212 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.482 -21.221 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.491 -21.986 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.439 -20.060 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.383 -21.828 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.030 -20.958 1.453 1.00 0.00 H new