USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.5!) USER MOD Single : A 19 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.185 X(o=0.18,f=-0.045) USER MOD Single : A 30 THR OG1 : rot -93:sc= 1.42 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 36 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -4.1! C(o=-4.1!,f=-4.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 87:sc= 0.409 USER MOD Single : A 60 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.7!) USER MOD Single : A 61 CYS SG : rot -137:sc= -0.962 USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.354) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -47:sc= 0.255 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.265 -3.663 0.979 1.00 0.00 N ATOM 69 CA PHE A 8 6.887 -2.481 1.747 1.00 0.00 C ATOM 70 C PHE A 8 6.208 -2.875 3.054 1.00 0.00 C ATOM 71 O PHE A 8 5.808 -4.026 3.235 1.00 0.00 O ATOM 72 CB PHE A 8 5.955 -1.589 0.923 1.00 0.00 C ATOM 73 CG PHE A 8 6.680 -0.649 0.003 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.295 0.490 0.500 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.748 -0.904 -1.356 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.962 1.357 -0.344 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.414 -0.040 -2.205 1.00 0.00 C ATOM 78 CZ PHE A 8 8.022 1.092 -1.699 1.00 0.00 C ATOM 0 HA PHE A 8 7.795 -1.926 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.290 -2.220 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.328 -1.009 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.252 0.702 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.275 -1.788 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.436 2.241 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.459 -0.250 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.543 1.768 -2.360 1.00 0.00 H new ATOM 88 N ARG A 9 6.082 -1.914 3.963 1.00 0.00 N ATOM 89 CA ARG A 9 5.451 -2.160 5.255 1.00 0.00 C ATOM 90 C ARG A 9 4.147 -1.379 5.381 1.00 0.00 C ATOM 91 O ARG A 9 3.760 -0.646 4.470 1.00 0.00 O ATOM 92 CB ARG A 9 6.400 -1.777 6.391 1.00 0.00 C ATOM 93 CG ARG A 9 7.416 -2.857 6.725 1.00 0.00 C ATOM 94 CD ARG A 9 7.927 -2.723 8.152 1.00 0.00 C ATOM 95 NE ARG A 9 9.387 -2.722 8.213 1.00 0.00 N ATOM 96 CZ ARG A 9 10.132 -3.822 8.137 1.00 0.00 C ATOM 97 NH1 ARG A 9 9.561 -5.012 7.997 1.00 0.00 N ATOM 98 NH2 ARG A 9 11.454 -3.732 8.201 1.00 0.00 N ATOM 0 H ARG A 9 6.409 -0.957 3.829 1.00 0.00 H new ATOM 0 HA ARG A 9 5.224 -3.224 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.929 -0.864 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.814 -1.553 7.282 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.962 -3.839 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.254 -2.796 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.545 -1.800 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.540 -3.545 8.754 1.00 0.00 H new ATOM 0 HE ARG A 9 9.863 -1.826 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.545 -5.087 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.138 -5.851 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.898 -2.820 8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.026 -4.575 8.143 1.00 0.00 H new ATOM 112 N VAL A 10 3.473 -1.541 6.515 1.00 0.00 N ATOM 113 CA VAL A 10 2.212 -0.852 6.760 1.00 0.00 C ATOM 114 C VAL A 10 2.452 0.546 7.320 1.00 0.00 C ATOM 115 O VAL A 10 3.250 0.728 8.240 1.00 0.00 O ATOM 116 CB VAL A 10 1.320 -1.640 7.739 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.048 -0.988 7.862 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.189 -3.089 7.296 1.00 0.00 C ATOM 0 H VAL A 10 3.779 -2.144 7.279 1.00 0.00 H new ATOM 0 HA VAL A 10 1.702 -0.775 5.800 1.00 0.00 H new ATOM 0 HB VAL A 10 1.793 -1.625 8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.662 -1.560 8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.067 0.031 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.530 -0.967 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.556 -3.629 8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.742 -3.127 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.176 -3.551 7.267 1.00 0.00 H new ATOM 128 N GLY A 11 1.756 1.530 6.761 1.00 0.00 N ATOM 129 CA GLY A 11 1.908 2.899 7.218 1.00 0.00 C ATOM 130 C GLY A 11 2.863 3.698 6.354 1.00 0.00 C ATOM 131 O GLY A 11 2.747 4.919 6.252 1.00 0.00 O ATOM 0 H GLY A 11 1.089 1.404 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.933 3.387 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.269 2.897 8.246 1.00 0.00 H new ATOM 135 N GLU A 12 3.811 3.007 5.728 1.00 0.00 N ATOM 136 CA GLU A 12 4.791 3.660 4.868 1.00 0.00 C ATOM 137 C GLU A 12 4.136 4.183 3.594 1.00 0.00 C ATOM 138 O GLU A 12 3.468 3.437 2.876 1.00 0.00 O ATOM 139 CB GLU A 12 5.918 2.688 4.513 1.00 0.00 C ATOM 140 CG GLU A 12 6.520 1.987 5.721 1.00 0.00 C ATOM 141 CD GLU A 12 7.232 2.946 6.655 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.073 3.732 6.171 1.00 0.00 O ATOM 143 OE2 GLU A 12 6.949 2.910 7.871 1.00 0.00 O ATOM 0 H GLU A 12 3.921 1.996 5.800 1.00 0.00 H new ATOM 0 HA GLU A 12 5.208 4.506 5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.535 1.938 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.704 3.232 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.731 1.471 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.223 1.226 5.382 1.00 0.00 H new ATOM 150 N ARG A 13 4.330 5.468 3.318 1.00 0.00 N ATOM 151 CA ARG A 13 3.760 6.090 2.130 1.00 0.00 C ATOM 152 C ARG A 13 4.481 5.621 0.870 1.00 0.00 C ATOM 153 O ARG A 13 5.688 5.813 0.727 1.00 0.00 O ATOM 154 CB ARG A 13 3.839 7.615 2.239 1.00 0.00 C ATOM 155 CG ARG A 13 3.135 8.343 1.105 1.00 0.00 C ATOM 156 CD ARG A 13 1.820 8.953 1.564 1.00 0.00 C ATOM 157 NE ARG A 13 1.992 10.315 2.063 1.00 0.00 N ATOM 158 CZ ARG A 13 0.999 11.192 2.184 1.00 0.00 C ATOM 159 NH1 ARG A 13 -0.240 10.854 1.844 1.00 0.00 N ATOM 160 NH2 ARG A 13 1.243 12.411 2.646 1.00 0.00 N ATOM 0 H ARG A 13 4.878 6.099 3.902 1.00 0.00 H new ATOM 0 HA ARG A 13 2.714 5.791 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.401 7.926 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.886 7.916 2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.785 9.127 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.949 7.648 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.114 8.958 0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.387 8.332 2.348 1.00 0.00 H new ATOM 0 HE ARG A 13 2.929 10.611 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.434 9.918 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.997 11.531 1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.192 12.676 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.481 13.083 2.739 1.00 0.00 H new ATOM 174 N VAL A 14 3.733 5.004 -0.039 1.00 0.00 N ATOM 175 CA VAL A 14 4.303 4.507 -1.286 1.00 0.00 C ATOM 176 C VAL A 14 3.790 5.303 -2.482 1.00 0.00 C ATOM 177 O VAL A 14 2.939 6.181 -2.338 1.00 0.00 O ATOM 178 CB VAL A 14 3.976 3.017 -1.500 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.832 2.146 -0.593 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.497 2.754 -1.262 1.00 0.00 C ATOM 0 H VAL A 14 2.732 4.836 0.064 1.00 0.00 H new ATOM 0 HA VAL A 14 5.384 4.627 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 14 4.205 2.760 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.587 1.097 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.886 2.312 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.638 2.404 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.286 1.696 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.239 3.029 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.905 3.349 -1.958 1.00 0.00 H new ATOM 190 N TRP A 15 4.316 4.989 -3.662 1.00 0.00 N ATOM 191 CA TRP A 15 3.915 5.673 -4.885 1.00 0.00 C ATOM 192 C TRP A 15 3.598 4.670 -5.990 1.00 0.00 C ATOM 193 O TRP A 15 4.499 4.048 -6.554 1.00 0.00 O ATOM 194 CB TRP A 15 5.020 6.628 -5.346 1.00 0.00 C ATOM 195 CG TRP A 15 4.632 8.072 -5.258 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.233 8.877 -6.286 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.609 8.884 -4.080 1.00 0.00 C ATOM 198 NE1 TRP A 15 3.962 10.140 -5.818 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.186 10.170 -4.466 1.00 0.00 C ATOM 200 CE3 TRP A 15 4.903 8.648 -2.733 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.051 11.215 -3.556 1.00 0.00 C ATOM 202 CZ3 TRP A 15 4.769 9.687 -1.831 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.345 10.955 -2.245 1.00 0.00 C ATOM 0 H TRP A 15 5.021 4.265 -3.796 1.00 0.00 H new ATOM 0 HA TRP A 15 3.014 6.248 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.911 6.461 -4.740 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.287 6.393 -6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.143 8.566 -7.316 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.646 10.927 -6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.229 7.672 -2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 3.726 12.195 -3.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 4.995 9.517 -0.789 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.248 11.745 -1.515 1.00 0.00 H new ATOM 214 N VAL A 16 2.313 4.517 -6.295 1.00 0.00 N ATOM 215 CA VAL A 16 1.882 3.589 -7.334 1.00 0.00 C ATOM 216 C VAL A 16 2.063 4.198 -8.721 1.00 0.00 C ATOM 217 O VAL A 16 1.637 5.325 -8.975 1.00 0.00 O ATOM 218 CB VAL A 16 0.407 3.184 -7.150 1.00 0.00 C ATOM 219 CG1 VAL A 16 0.020 2.104 -8.148 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.153 2.718 -5.724 1.00 0.00 C ATOM 0 H VAL A 16 1.554 5.023 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 16 2.507 2.700 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.215 4.059 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.025 1.831 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.159 2.479 -9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.648 1.226 -7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.894 2.436 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.785 1.858 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.386 3.526 -5.030 1.00 0.00 H new ATOM 230 N ASN A 17 2.700 3.448 -9.613 1.00 0.00 N ATOM 231 CA ASN A 17 2.940 3.915 -10.974 1.00 0.00 C ATOM 232 C ASN A 17 3.743 5.215 -10.973 1.00 0.00 C ATOM 233 O ASN A 17 3.710 5.975 -11.941 1.00 0.00 O ATOM 234 CB ASN A 17 1.612 4.120 -11.705 1.00 0.00 C ATOM 235 CG ASN A 17 1.306 2.993 -12.673 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.197 2.248 -13.078 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.038 2.865 -13.049 1.00 0.00 N ATOM 0 H ASN A 17 3.060 2.514 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 17 3.521 3.154 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.806 4.197 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.641 5.064 -12.248 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.229 2.126 -13.699 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.668 3.506 -12.688 1.00 0.00 H new ATOM 244 N GLY A 18 4.464 5.463 -9.883 1.00 0.00 N ATOM 245 CA GLY A 18 5.264 6.670 -9.781 1.00 0.00 C ATOM 246 C GLY A 18 4.445 7.933 -9.965 1.00 0.00 C ATOM 247 O GLY A 18 4.917 8.905 -10.555 1.00 0.00 O ATOM 0 H GLY A 18 4.508 4.850 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.751 6.697 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.054 6.642 -10.531 1.00 0.00 H new ATOM 251 N ASN A 19 3.216 7.921 -9.459 1.00 0.00 N ATOM 252 CA ASN A 19 2.334 9.077 -9.572 1.00 0.00 C ATOM 253 C ASN A 19 1.010 8.829 -8.856 1.00 0.00 C ATOM 254 O ASN A 19 -0.054 9.207 -9.348 1.00 0.00 O ATOM 255 CB ASN A 19 2.077 9.405 -11.045 1.00 0.00 C ATOM 256 CG ASN A 19 2.047 10.898 -11.306 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.638 11.384 -12.271 1.00 0.00 O ATOM 258 ND2 ASN A 19 1.355 11.636 -10.445 1.00 0.00 N ATOM 0 H ASN A 19 2.809 7.125 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 19 2.827 9.925 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.854 8.947 -11.658 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.128 8.966 -11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.298 12.647 -10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.880 11.192 -9.659 1.00 0.00 H new ATOM 265 N LYS A 20 1.081 8.195 -7.689 1.00 0.00 N ATOM 266 CA LYS A 20 -0.114 7.901 -6.906 1.00 0.00 C ATOM 267 C LYS A 20 0.248 7.582 -5.457 1.00 0.00 C ATOM 268 O LYS A 20 0.423 6.419 -5.094 1.00 0.00 O ATOM 269 CB LYS A 20 -0.878 6.728 -7.523 1.00 0.00 C ATOM 270 CG LYS A 20 -1.710 7.114 -8.735 1.00 0.00 C ATOM 271 CD LYS A 20 -2.844 6.129 -8.970 1.00 0.00 C ATOM 272 CE LYS A 20 -3.759 6.590 -10.094 1.00 0.00 C ATOM 273 NZ LYS A 20 -4.346 5.444 -10.839 1.00 0.00 N ATOM 0 H LYS A 20 1.952 7.876 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.751 8.786 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.167 5.954 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.532 6.293 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.119 8.114 -8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.072 7.153 -9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.432 5.150 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.422 6.013 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.560 7.203 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.198 7.221 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.963 5.802 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.583 4.873 -11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.903 4.855 -10.187 1.00 0.00 H new ATOM 287 N PRO A 21 0.361 8.617 -4.606 1.00 0.00 N ATOM 288 CA PRO A 21 0.703 8.441 -3.190 1.00 0.00 C ATOM 289 C PRO A 21 -0.419 7.771 -2.405 1.00 0.00 C ATOM 290 O PRO A 21 -1.540 7.638 -2.894 1.00 0.00 O ATOM 291 CB PRO A 21 0.919 9.873 -2.694 1.00 0.00 C ATOM 292 CG PRO A 21 0.116 10.721 -3.619 1.00 0.00 C ATOM 293 CD PRO A 21 0.167 10.036 -4.958 1.00 0.00 C ATOM 0 HA PRO A 21 1.571 7.795 -3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.587 9.989 -1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.974 10.146 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.912 10.816 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.527 11.729 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.753 10.188 -5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.985 10.414 -5.572 1.00 0.00 H new ATOM 301 N GLY A 22 -0.108 7.350 -1.183 1.00 0.00 N ATOM 302 CA GLY A 22 -1.101 6.699 -0.349 1.00 0.00 C ATOM 303 C GLY A 22 -0.481 5.936 0.805 1.00 0.00 C ATOM 304 O GLY A 22 0.611 5.383 0.677 1.00 0.00 O ATOM 0 H GLY A 22 0.813 7.448 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.789 7.448 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.690 6.014 -0.959 1.00 0.00 H new ATOM 308 N PHE A 23 -1.180 5.908 1.936 1.00 0.00 N ATOM 309 CA PHE A 23 -0.692 5.207 3.118 1.00 0.00 C ATOM 310 C PHE A 23 -1.132 3.747 3.106 1.00 0.00 C ATOM 311 O PHE A 23 -2.308 3.444 2.907 1.00 0.00 O ATOM 312 CB PHE A 23 -1.199 5.893 4.389 1.00 0.00 C ATOM 313 CG PHE A 23 -0.580 7.239 4.632 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.615 7.352 5.324 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.192 8.393 4.167 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.188 8.589 5.550 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.624 9.633 4.390 1.00 0.00 C ATOM 318 CZ PHE A 23 0.566 9.731 5.082 1.00 0.00 C ATOM 0 H PHE A 23 -2.085 6.362 2.058 1.00 0.00 H new ATOM 0 HA PHE A 23 0.397 5.240 3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.281 6.006 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.997 5.249 5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.105 6.462 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.123 8.322 3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.120 8.663 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.111 10.524 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.011 10.699 5.258 1.00 0.00 H new ATOM 328 N ILE A 24 -0.178 2.845 3.318 1.00 0.00 N ATOM 329 CA ILE A 24 -0.466 1.416 3.332 1.00 0.00 C ATOM 330 C ILE A 24 -1.140 1.003 4.636 1.00 0.00 C ATOM 331 O ILE A 24 -0.678 1.354 5.722 1.00 0.00 O ATOM 332 CB ILE A 24 0.815 0.582 3.142 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.620 1.107 1.953 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.468 -0.886 2.949 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.965 0.433 1.789 1.00 0.00 C ATOM 0 H ILE A 24 0.801 3.079 3.482 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.143 1.222 2.500 1.00 0.00 H new ATOM 0 HB ILE A 24 1.427 0.674 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.039 0.967 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.772 2.180 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.384 -1.462 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.067 -1.252 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.162 -0.998 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.481 0.855 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.564 0.594 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.820 -0.637 1.637 1.00 0.00 H new ATOM 347 N GLN A 25 -2.232 0.255 4.523 1.00 0.00 N ATOM 348 CA GLN A 25 -2.970 -0.205 5.694 1.00 0.00 C ATOM 349 C GLN A 25 -2.991 -1.729 5.758 1.00 0.00 C ATOM 350 O GLN A 25 -2.632 -2.322 6.776 1.00 0.00 O ATOM 351 CB GLN A 25 -4.401 0.335 5.667 1.00 0.00 C ATOM 352 CG GLN A 25 -4.480 1.852 5.678 1.00 0.00 C ATOM 353 CD GLN A 25 -4.120 2.447 7.025 1.00 0.00 C ATOM 354 OE1 GLN A 25 -4.997 2.814 7.808 1.00 0.00 O ATOM 355 NE2 GLN A 25 -2.825 2.543 7.304 1.00 0.00 N ATOM 0 H GLN A 25 -2.626 -0.046 3.632 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.464 0.172 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.905 -0.040 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.944 -0.055 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.809 2.252 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.490 2.161 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.132 2.226 6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.523 2.933 8.197 1.00 0.00 H new ATOM 364 N PHE A 26 -3.415 -2.357 4.667 1.00 0.00 N ATOM 365 CA PHE A 26 -3.484 -3.812 4.600 1.00 0.00 C ATOM 366 C PHE A 26 -2.354 -4.372 3.741 1.00 0.00 C ATOM 367 O PHE A 26 -1.900 -3.727 2.796 1.00 0.00 O ATOM 368 CB PHE A 26 -4.835 -4.253 4.036 1.00 0.00 C ATOM 369 CG PHE A 26 -5.270 -5.611 4.512 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.678 -5.803 5.822 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.270 -6.694 3.648 1.00 0.00 C ATOM 372 CE1 PHE A 26 -6.077 -7.050 6.262 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.668 -7.945 4.082 1.00 0.00 C ATOM 374 CZ PHE A 26 -6.073 -8.123 5.391 1.00 0.00 C ATOM 0 H PHE A 26 -3.716 -1.881 3.817 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.375 -4.203 5.612 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.592 -3.520 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.781 -4.259 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.684 -4.968 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.955 -6.560 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.392 -7.186 7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.662 -8.782 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.386 -9.099 5.733 1.00 0.00 H new ATOM 384 N LEU A 27 -1.906 -5.578 4.076 1.00 0.00 N ATOM 385 CA LEU A 27 -0.831 -6.226 3.336 1.00 0.00 C ATOM 386 C LEU A 27 -1.043 -7.736 3.281 1.00 0.00 C ATOM 387 O LEU A 27 -1.170 -8.394 4.313 1.00 0.00 O ATOM 388 CB LEU A 27 0.522 -5.910 3.980 1.00 0.00 C ATOM 389 CG LEU A 27 1.331 -4.816 3.281 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.621 -4.542 4.037 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.627 -5.211 1.842 1.00 0.00 C ATOM 0 H LEU A 27 -2.271 -6.125 4.855 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.839 -5.839 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.354 -5.612 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.118 -6.822 4.004 1.00 0.00 H new ATOM 0 HG LEU A 27 0.739 -3.901 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.184 -3.761 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.387 -4.216 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.219 -5.452 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.203 -4.422 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.200 -6.138 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.690 -5.357 1.305 1.00 0.00 H new ATOM 403 N GLY A 28 -1.081 -8.279 2.068 1.00 0.00 N ATOM 404 CA GLY A 28 -1.279 -9.708 1.901 1.00 0.00 C ATOM 405 C GLY A 28 -2.203 -10.034 0.745 1.00 0.00 C ATOM 406 O GLY A 28 -2.759 -9.136 0.112 1.00 0.00 O ATOM 0 H GLY A 28 -0.978 -7.756 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.314 -10.189 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.691 -10.124 2.820 1.00 0.00 H new ATOM 410 N GLU A 29 -2.367 -11.324 0.467 1.00 0.00 N ATOM 411 CA GLU A 29 -3.230 -11.767 -0.622 1.00 0.00 C ATOM 412 C GLU A 29 -4.666 -11.302 -0.402 1.00 0.00 C ATOM 413 O GLU A 29 -5.006 -10.788 0.664 1.00 0.00 O ATOM 414 CB GLU A 29 -3.189 -13.291 -0.745 1.00 0.00 C ATOM 415 CG GLU A 29 -3.537 -14.015 0.545 1.00 0.00 C ATOM 416 CD GLU A 29 -4.401 -15.238 0.311 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.405 -15.754 -0.827 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.075 -15.682 1.265 1.00 0.00 O ATOM 0 H GLU A 29 -1.914 -12.080 0.981 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.861 -11.324 -1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.883 -13.603 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.192 -13.595 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.618 -14.315 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.058 -13.329 1.213 1.00 0.00 H new ATOM 425 N THR A 30 -5.504 -11.487 -1.416 1.00 0.00 N ATOM 426 CA THR A 30 -6.905 -11.087 -1.334 1.00 0.00 C ATOM 427 C THR A 30 -7.826 -12.279 -1.568 1.00 0.00 C ATOM 428 O THR A 30 -7.365 -13.401 -1.778 1.00 0.00 O ATOM 429 CB THR A 30 -7.203 -9.987 -2.354 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.592 -10.279 -3.598 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.725 -8.619 -1.917 1.00 0.00 C ATOM 0 H THR A 30 -5.238 -11.911 -2.305 1.00 0.00 H new ATOM 0 HA THR A 30 -7.089 -10.702 -0.331 1.00 0.00 H new ATOM 0 HB THR A 30 -8.289 -9.962 -2.443 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.712 -9.849 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.968 -7.886 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.216 -8.343 -0.984 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.646 -8.642 -1.766 1.00 0.00 H new ATOM 439 N GLN A 31 -9.131 -12.028 -1.532 1.00 0.00 N ATOM 440 CA GLN A 31 -10.117 -13.081 -1.741 1.00 0.00 C ATOM 441 C GLN A 31 -10.591 -13.104 -3.191 1.00 0.00 C ATOM 442 O GLN A 31 -10.696 -14.166 -3.803 1.00 0.00 O ATOM 443 CB GLN A 31 -11.312 -12.882 -0.806 1.00 0.00 C ATOM 444 CG GLN A 31 -10.992 -13.156 0.654 1.00 0.00 C ATOM 445 CD GLN A 31 -11.283 -14.588 1.056 1.00 0.00 C ATOM 446 OE1 GLN A 31 -10.915 -15.529 0.353 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.947 -14.761 2.192 1.00 0.00 N ATOM 0 H GLN A 31 -9.529 -11.105 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.643 -14.037 -1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.674 -11.858 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.123 -13.538 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.940 -12.937 0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.573 -12.481 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.233 -13.952 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.171 -15.703 2.513 1.00 0.00 H new ATOM 456 N PHE A 32 -10.875 -11.924 -3.734 1.00 0.00 N ATOM 457 CA PHE A 32 -11.338 -11.809 -5.111 1.00 0.00 C ATOM 458 C PHE A 32 -10.292 -12.344 -6.084 1.00 0.00 C ATOM 459 O PHE A 32 -10.627 -12.869 -7.146 1.00 0.00 O ATOM 460 CB PHE A 32 -11.661 -10.351 -5.443 1.00 0.00 C ATOM 461 CG PHE A 32 -10.501 -9.418 -5.243 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.522 -9.289 -6.214 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.389 -8.671 -4.081 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.454 -8.431 -6.033 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.323 -7.812 -3.893 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.354 -7.692 -4.870 1.00 0.00 C ATOM 0 H PHE A 32 -10.792 -11.035 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.243 -12.407 -5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.993 -10.288 -6.479 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.493 -10.021 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.594 -9.866 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.144 -8.761 -3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.699 -8.338 -6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.248 -7.235 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.520 -7.022 -4.725 1.00 0.00 H new ATOM 476 N ALA A 33 -9.023 -12.205 -5.715 1.00 0.00 N ATOM 477 CA ALA A 33 -7.927 -12.675 -6.555 1.00 0.00 C ATOM 478 C ALA A 33 -6.844 -13.351 -5.719 1.00 0.00 C ATOM 479 O ALA A 33 -6.599 -12.964 -4.576 1.00 0.00 O ATOM 480 CB ALA A 33 -7.339 -11.517 -7.347 1.00 0.00 C ATOM 0 H ALA A 33 -8.728 -11.771 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.325 -13.414 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.522 -11.880 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.111 -11.080 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.962 -10.760 -6.659 1.00 0.00 H new ATOM 486 N PRO A 34 -6.178 -14.377 -6.280 1.00 0.00 N ATOM 487 CA PRO A 34 -5.117 -15.106 -5.578 1.00 0.00 C ATOM 488 C PRO A 34 -3.835 -14.289 -5.457 1.00 0.00 C ATOM 489 O PRO A 34 -3.825 -13.086 -5.719 1.00 0.00 O ATOM 490 CB PRO A 34 -4.889 -16.331 -6.464 1.00 0.00 C ATOM 491 CG PRO A 34 -5.283 -15.887 -7.829 1.00 0.00 C ATOM 492 CD PRO A 34 -6.407 -14.903 -7.639 1.00 0.00 C ATOM 0 HA PRO A 34 -5.396 -15.349 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.848 -16.651 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.491 -17.177 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.443 -15.424 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.604 -16.733 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.377 -14.110 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.381 -15.385 -7.724 1.00 0.00 H new ATOM 500 N GLY A 35 -2.753 -14.952 -5.059 1.00 0.00 N ATOM 501 CA GLY A 35 -1.479 -14.271 -4.911 1.00 0.00 C ATOM 502 C GLY A 35 -1.525 -13.173 -3.868 1.00 0.00 C ATOM 503 O GLY A 35 -2.600 -12.796 -3.401 1.00 0.00 O ATOM 0 H GLY A 35 -2.736 -15.947 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.713 -14.996 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.185 -13.844 -5.870 1.00 0.00 H new ATOM 507 N GLN A 36 -0.356 -12.660 -3.500 1.00 0.00 N ATOM 508 CA GLN A 36 -0.265 -11.598 -2.505 1.00 0.00 C ATOM 509 C GLN A 36 -0.710 -10.262 -3.092 1.00 0.00 C ATOM 510 O GLN A 36 -0.837 -10.118 -4.308 1.00 0.00 O ATOM 511 CB GLN A 36 1.167 -11.489 -1.975 1.00 0.00 C ATOM 512 CG GLN A 36 1.299 -11.840 -0.502 1.00 0.00 C ATOM 513 CD GLN A 36 2.277 -12.972 -0.256 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.129 -13.266 -1.094 1.00 0.00 O ATOM 515 NE2 GLN A 36 2.160 -13.615 0.900 1.00 0.00 N ATOM 0 H GLN A 36 0.542 -12.963 -3.876 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.931 -11.848 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.812 -12.148 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.527 -10.472 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.624 -10.958 0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.321 -12.119 -0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.439 -13.339 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.791 -14.385 1.121 1.00 0.00 H new ATOM 524 N TRP A 37 -0.947 -9.288 -2.220 1.00 0.00 N ATOM 525 CA TRP A 37 -1.378 -7.964 -2.652 1.00 0.00 C ATOM 526 C TRP A 37 -0.911 -6.893 -1.672 1.00 0.00 C ATOM 527 O TRP A 37 -0.281 -7.197 -0.659 1.00 0.00 O ATOM 528 CB TRP A 37 -2.901 -7.918 -2.787 1.00 0.00 C ATOM 529 CG TRP A 37 -3.407 -8.588 -4.028 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.694 -9.914 -4.185 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.686 -7.966 -5.287 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.134 -10.154 -5.464 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.138 -8.973 -6.160 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.598 -6.653 -5.761 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.501 -8.709 -7.479 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.958 -6.392 -7.069 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.405 -7.416 -7.915 1.00 0.00 C ATOM 0 H TRP A 37 -0.848 -9.391 -1.210 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.928 -7.763 -3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.350 -8.395 -1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.228 -6.878 -2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.590 -10.665 -3.416 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.412 -11.062 -5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.255 -5.858 -5.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.846 -9.496 -8.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.894 -5.382 -7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.679 -7.179 -8.932 1.00 0.00 H new ATOM 548 N ALA A 38 -1.223 -5.638 -1.979 1.00 0.00 N ATOM 549 CA ALA A 38 -0.834 -4.523 -1.126 1.00 0.00 C ATOM 550 C ALA A 38 -1.912 -3.444 -1.108 1.00 0.00 C ATOM 551 O ALA A 38 -2.286 -2.909 -2.152 1.00 0.00 O ATOM 552 CB ALA A 38 0.491 -3.940 -1.590 1.00 0.00 C ATOM 0 H ALA A 38 -1.745 -5.369 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.716 -4.899 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.769 -3.108 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.263 -4.708 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.393 -3.585 -2.616 1.00 0.00 H new ATOM 558 N GLY A 39 -2.407 -3.128 0.085 1.00 0.00 N ATOM 559 CA GLY A 39 -3.435 -2.114 0.216 1.00 0.00 C ATOM 560 C GLY A 39 -2.859 -0.731 0.452 1.00 0.00 C ATOM 561 O GLY A 39 -2.005 -0.546 1.318 1.00 0.00 O ATOM 0 H GLY A 39 -2.114 -3.557 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.045 -2.101 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.095 -2.375 1.043 1.00 0.00 H new ATOM 565 N ILE A 40 -3.329 0.243 -0.321 1.00 0.00 N ATOM 566 CA ILE A 40 -2.855 1.616 -0.193 1.00 0.00 C ATOM 567 C ILE A 40 -4.022 2.597 -0.135 1.00 0.00 C ATOM 568 O ILE A 40 -5.012 2.442 -0.849 1.00 0.00 O ATOM 569 CB ILE A 40 -1.931 2.004 -1.362 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.854 0.937 -1.568 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.296 3.363 -1.108 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.207 0.987 -2.935 1.00 0.00 C ATOM 0 H ILE A 40 -4.037 0.107 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.291 1.670 0.738 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.529 2.068 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.084 1.058 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.297 -0.048 -1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.646 3.623 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.077 4.117 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.709 3.325 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.546 0.203 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.966 0.836 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.266 1.959 -3.079 1.00 0.00 H new ATOM 584 N VAL A 41 -3.898 3.605 0.722 1.00 0.00 N ATOM 585 CA VAL A 41 -4.942 4.612 0.872 1.00 0.00 C ATOM 586 C VAL A 41 -4.580 5.894 0.130 1.00 0.00 C ATOM 587 O VAL A 41 -3.800 6.709 0.622 1.00 0.00 O ATOM 588 CB VAL A 41 -5.191 4.945 2.357 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.381 5.881 2.503 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.404 3.673 3.163 1.00 0.00 C ATOM 0 H VAL A 41 -3.086 3.746 1.323 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.852 4.191 0.443 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.309 5.452 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.541 6.104 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.184 6.807 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.272 5.404 2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.578 3.929 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.268 3.135 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.519 3.042 3.087 1.00 0.00 H new ATOM 600 N LEU A 42 -5.150 6.065 -1.059 1.00 0.00 N ATOM 601 CA LEU A 42 -4.887 7.247 -1.870 1.00 0.00 C ATOM 602 C LEU A 42 -5.327 8.515 -1.144 1.00 0.00 C ATOM 603 O LEU A 42 -6.310 8.509 -0.403 1.00 0.00 O ATOM 604 CB LEU A 42 -5.608 7.139 -3.215 1.00 0.00 C ATOM 605 CG LEU A 42 -5.163 5.973 -4.097 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.281 5.562 -5.042 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.911 6.344 -4.878 1.00 0.00 C ATOM 0 H LEU A 42 -5.797 5.399 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.813 7.305 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.678 7.046 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.459 8.068 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.928 5.124 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.946 4.731 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.152 5.255 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.547 6.405 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.608 5.502 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.119 7.207 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.108 6.589 -4.183 1.00 0.00 H new ATOM 619 N ASP A 43 -4.591 9.600 -1.361 1.00 0.00 N ATOM 620 CA ASP A 43 -4.903 10.876 -0.728 1.00 0.00 C ATOM 621 C ASP A 43 -6.112 11.530 -1.392 1.00 0.00 C ATOM 622 O ASP A 43 -6.956 12.124 -0.721 1.00 0.00 O ATOM 623 CB ASP A 43 -3.695 11.813 -0.797 1.00 0.00 C ATOM 624 CG ASP A 43 -3.069 12.049 0.564 1.00 0.00 C ATOM 625 OD1 ASP A 43 -3.268 11.207 1.463 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.378 13.077 0.729 1.00 0.00 O ATOM 0 H ASP A 43 -3.774 9.621 -1.971 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.145 10.687 0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.948 11.390 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.003 12.768 -1.223 1.00 0.00 H new ATOM 631 N GLU A 44 -6.188 11.417 -2.714 1.00 0.00 N ATOM 632 CA GLU A 44 -7.293 11.997 -3.468 1.00 0.00 C ATOM 633 C GLU A 44 -8.222 10.907 -3.998 1.00 0.00 C ATOM 634 O GLU A 44 -7.808 9.762 -4.183 1.00 0.00 O ATOM 635 CB GLU A 44 -6.758 12.842 -4.628 1.00 0.00 C ATOM 636 CG GLU A 44 -7.156 14.307 -4.549 1.00 0.00 C ATOM 637 CD GLU A 44 -7.682 14.840 -5.867 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.096 14.507 -6.918 1.00 0.00 O ATOM 639 OE2 GLU A 44 -8.680 15.592 -5.847 1.00 0.00 O ATOM 0 H GLU A 44 -5.498 10.929 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.864 12.638 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.671 12.770 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.122 12.426 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.919 14.431 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.294 14.898 -4.241 1.00 0.00 H new ATOM 646 N PRO A 45 -9.497 11.251 -4.252 1.00 0.00 N ATOM 647 CA PRO A 45 -10.485 10.296 -4.764 1.00 0.00 C ATOM 648 C PRO A 45 -10.207 9.894 -6.209 1.00 0.00 C ATOM 649 O PRO A 45 -10.996 10.183 -7.109 1.00 0.00 O ATOM 650 CB PRO A 45 -11.806 11.064 -4.665 1.00 0.00 C ATOM 651 CG PRO A 45 -11.415 12.499 -4.733 1.00 0.00 C ATOM 652 CD PRO A 45 -10.073 12.595 -4.061 1.00 0.00 C ATOM 0 HA PRO A 45 -10.478 9.361 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.480 10.798 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.326 10.839 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.359 12.840 -5.767 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.149 13.128 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.451 13.367 -4.515 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.170 12.844 -3.004 1.00 0.00 H new ATOM 660 N ILE A 46 -9.078 9.225 -6.424 1.00 0.00 N ATOM 661 CA ILE A 46 -8.695 8.783 -7.760 1.00 0.00 C ATOM 662 C ILE A 46 -8.426 7.283 -7.786 1.00 0.00 C ATOM 663 O ILE A 46 -7.600 6.803 -8.564 1.00 0.00 O ATOM 664 CB ILE A 46 -7.442 9.526 -8.259 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.347 9.500 -7.193 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.790 10.959 -8.635 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.946 9.549 -7.762 1.00 0.00 C ATOM 0 H ILE A 46 -8.413 8.978 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.531 9.011 -8.421 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.068 9.018 -9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.487 10.346 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.456 8.595 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.894 11.471 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.539 10.956 -9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.186 11.478 -7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.222 9.527 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.787 8.689 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.819 10.466 -8.337 1.00 0.00 H new ATOM 679 N GLY A 47 -9.127 6.545 -6.931 1.00 0.00 N ATOM 680 CA GLY A 47 -8.950 5.106 -6.873 1.00 0.00 C ATOM 681 C GLY A 47 -10.150 4.351 -7.409 1.00 0.00 C ATOM 682 O GLY A 47 -11.063 4.948 -7.979 1.00 0.00 O ATOM 0 H GLY A 47 -9.815 6.918 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.065 4.829 -7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.768 4.807 -5.841 1.00 0.00 H new ATOM 686 N LYS A 48 -10.148 3.034 -7.227 1.00 0.00 N ATOM 687 CA LYS A 48 -11.244 2.196 -7.697 1.00 0.00 C ATOM 688 C LYS A 48 -11.806 1.345 -6.562 1.00 0.00 C ATOM 689 O LYS A 48 -12.314 0.248 -6.789 1.00 0.00 O ATOM 690 CB LYS A 48 -10.771 1.293 -8.838 1.00 0.00 C ATOM 691 CG LYS A 48 -10.240 2.059 -10.040 1.00 0.00 C ATOM 692 CD LYS A 48 -11.230 2.051 -11.196 1.00 0.00 C ATOM 693 CE LYS A 48 -10.594 1.528 -12.474 1.00 0.00 C ATOM 694 NZ LYS A 48 -11.613 1.205 -13.511 1.00 0.00 N ATOM 0 H LYS A 48 -9.399 2.525 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.035 2.850 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.990 0.630 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.600 0.661 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.027 3.088 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.298 1.618 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.088 1.432 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.604 3.061 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.901 2.273 -12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.009 0.636 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.138 0.852 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.259 0.476 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.154 2.062 -13.745 1.00 0.00 H new ATOM 708 N ASN A 49 -11.712 1.860 -5.339 1.00 0.00 N ATOM 709 CA ASN A 49 -12.211 1.146 -4.170 1.00 0.00 C ATOM 710 C ASN A 49 -12.187 2.041 -2.935 1.00 0.00 C ATOM 711 O ASN A 49 -11.339 2.927 -2.815 1.00 0.00 O ATOM 712 CB ASN A 49 -11.376 -0.111 -3.920 1.00 0.00 C ATOM 713 CG ASN A 49 -11.968 -1.340 -4.580 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.151 -1.639 -4.415 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.146 -2.060 -5.335 1.00 0.00 N ATOM 0 H ASN A 49 -11.295 2.768 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.243 0.855 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.365 0.048 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.295 -0.282 -2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.488 -2.898 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.173 -1.775 -5.444 1.00 0.00 H new ATOM 722 N ASP A 50 -13.121 1.805 -2.021 1.00 0.00 N ATOM 723 CA ASP A 50 -13.206 2.590 -0.794 1.00 0.00 C ATOM 724 C ASP A 50 -12.834 1.745 0.420 1.00 0.00 C ATOM 725 O ASP A 50 -13.386 1.923 1.506 1.00 0.00 O ATOM 726 CB ASP A 50 -14.617 3.155 -0.622 1.00 0.00 C ATOM 727 CG ASP A 50 -15.687 2.089 -0.752 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.964 1.661 -1.892 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.249 1.682 0.287 1.00 0.00 O ATOM 0 H ASP A 50 -13.830 1.077 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.498 3.415 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.698 3.630 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.788 3.931 -1.369 1.00 0.00 H new ATOM 734 N GLY A 51 -11.894 0.824 0.228 1.00 0.00 N ATOM 735 CA GLY A 51 -11.465 -0.034 1.316 1.00 0.00 C ATOM 736 C GLY A 51 -12.091 -1.413 1.250 1.00 0.00 C ATOM 737 O GLY A 51 -11.507 -2.390 1.717 1.00 0.00 O ATOM 0 H GLY A 51 -11.423 0.657 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.379 -0.130 1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.723 0.433 2.266 1.00 0.00 H new ATOM 741 N SER A 52 -13.284 -1.492 0.669 1.00 0.00 N ATOM 742 CA SER A 52 -13.992 -2.760 0.544 1.00 0.00 C ATOM 743 C SER A 52 -14.246 -3.100 -0.921 1.00 0.00 C ATOM 744 O SER A 52 -14.557 -2.224 -1.727 1.00 0.00 O ATOM 745 CB SER A 52 -15.318 -2.706 1.304 1.00 0.00 C ATOM 746 OG SER A 52 -16.051 -3.908 1.139 1.00 0.00 O ATOM 0 H SER A 52 -13.781 -0.692 0.277 1.00 0.00 H new ATOM 0 HA SER A 52 -13.365 -3.540 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.127 -2.536 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.911 -1.863 0.948 1.00 0.00 H new ATOM 0 HG SER A 52 -16.893 -3.848 1.636 1.00 0.00 H new ATOM 752 N VAL A 53 -14.111 -4.379 -1.259 1.00 0.00 N ATOM 753 CA VAL A 53 -14.326 -4.835 -2.626 1.00 0.00 C ATOM 754 C VAL A 53 -15.385 -5.931 -2.679 1.00 0.00 C ATOM 755 O VAL A 53 -15.173 -7.039 -2.187 1.00 0.00 O ATOM 756 CB VAL A 53 -13.023 -5.368 -3.252 1.00 0.00 C ATOM 757 CG1 VAL A 53 -13.218 -5.651 -4.734 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.885 -4.382 -3.036 1.00 0.00 C ATOM 0 H VAL A 53 -13.854 -5.117 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.669 -3.972 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.761 -6.304 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.287 -6.027 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.002 -6.397 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.505 -4.732 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.973 -4.775 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.136 -3.429 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.729 -4.235 -1.967 1.00 0.00 H new ATOM 768 N ALA A 54 -16.528 -5.612 -3.279 1.00 0.00 N ATOM 769 CA ALA A 54 -17.622 -6.569 -3.397 1.00 0.00 C ATOM 770 C ALA A 54 -18.113 -7.011 -2.023 1.00 0.00 C ATOM 771 O ALA A 54 -18.581 -8.137 -1.852 1.00 0.00 O ATOM 772 CB ALA A 54 -17.183 -7.774 -4.215 1.00 0.00 C ATOM 0 H ALA A 54 -16.720 -4.699 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.449 -6.078 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.009 -8.480 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.886 -7.448 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.338 -8.258 -3.725 1.00 0.00 H new ATOM 778 N GLY A 55 -18.005 -6.119 -1.045 1.00 0.00 N ATOM 779 CA GLY A 55 -18.443 -6.436 0.301 1.00 0.00 C ATOM 780 C GLY A 55 -17.292 -6.817 1.212 1.00 0.00 C ATOM 781 O GLY A 55 -17.360 -6.623 2.426 1.00 0.00 O ATOM 0 H GLY A 55 -17.621 -5.181 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.966 -5.577 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.159 -7.257 0.263 1.00 0.00 H new ATOM 785 N VAL A 56 -16.232 -7.363 0.626 1.00 0.00 N ATOM 786 CA VAL A 56 -15.061 -7.774 1.391 1.00 0.00 C ATOM 787 C VAL A 56 -14.212 -6.570 1.784 1.00 0.00 C ATOM 788 O VAL A 56 -13.567 -5.950 0.937 1.00 0.00 O ATOM 789 CB VAL A 56 -14.190 -8.766 0.598 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.084 -9.329 1.479 1.00 0.00 C ATOM 791 CG2 VAL A 56 -15.044 -9.886 0.018 1.00 0.00 C ATOM 0 H VAL A 56 -16.160 -7.531 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.429 -8.266 2.291 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.726 -8.230 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.479 -10.028 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.455 -8.515 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.525 -9.848 2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.410 -10.576 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.540 -10.422 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.794 -9.463 -0.650 1.00 0.00 H new ATOM 801 N ARG A 57 -14.217 -6.243 3.071 1.00 0.00 N ATOM 802 CA ARG A 57 -13.447 -5.113 3.577 1.00 0.00 C ATOM 803 C ARG A 57 -12.047 -5.550 3.997 1.00 0.00 C ATOM 804 O ARG A 57 -11.869 -6.618 4.582 1.00 0.00 O ATOM 805 CB ARG A 57 -14.168 -4.467 4.761 1.00 0.00 C ATOM 806 CG ARG A 57 -13.450 -3.251 5.322 1.00 0.00 C ATOM 807 CD ARG A 57 -14.253 -2.592 6.431 1.00 0.00 C ATOM 808 NE ARG A 57 -13.974 -3.186 7.737 1.00 0.00 N ATOM 809 CZ ARG A 57 -12.894 -2.908 8.462 1.00 0.00 C ATOM 810 NH1 ARG A 57 -11.989 -2.046 8.014 1.00 0.00 N ATOM 811 NH2 ARG A 57 -12.717 -3.493 9.639 1.00 0.00 N ATOM 0 H ARG A 57 -14.746 -6.745 3.784 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.353 -4.382 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.171 -4.174 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.284 -5.207 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.474 -3.548 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.273 -2.531 4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.023 -1.527 6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.317 -2.683 6.211 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.647 -3.853 8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.120 -1.593 7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.163 -1.837 8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.409 -4.156 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.889 -3.280 10.195 1.00 0.00 H new ATOM 825 N TYR A 58 -11.057 -4.717 3.693 1.00 0.00 N ATOM 826 CA TYR A 58 -9.673 -5.016 4.040 1.00 0.00 C ATOM 827 C TYR A 58 -9.093 -3.935 4.947 1.00 0.00 C ATOM 828 O TYR A 58 -8.446 -4.234 5.951 1.00 0.00 O ATOM 829 CB TYR A 58 -8.824 -5.144 2.773 1.00 0.00 C ATOM 830 CG TYR A 58 -9.308 -6.218 1.826 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.471 -6.046 1.087 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.601 -7.404 1.671 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.917 -7.026 0.220 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.040 -8.388 0.806 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.198 -8.195 0.083 1.00 0.00 C ATOM 836 OH TYR A 58 -10.638 -9.173 -0.779 1.00 0.00 O ATOM 0 H TYR A 58 -11.188 -3.830 3.207 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.656 -5.964 4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.818 -4.187 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.794 -5.359 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.036 -5.132 1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.694 -7.559 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.824 -6.877 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.479 -9.304 0.697 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.293 -8.995 -1.679 1.00 0.00 H new ATOM 846 N PHE A 59 -9.330 -2.678 4.587 1.00 0.00 N ATOM 847 CA PHE A 59 -8.832 -1.552 5.369 1.00 0.00 C ATOM 848 C PHE A 59 -9.772 -0.356 5.259 1.00 0.00 C ATOM 849 O PHE A 59 -10.274 -0.045 4.178 1.00 0.00 O ATOM 850 CB PHE A 59 -7.429 -1.159 4.903 1.00 0.00 C ATOM 851 CG PHE A 59 -7.380 -0.693 3.476 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.558 0.645 3.163 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.154 -1.594 2.446 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.513 1.077 1.851 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.107 -1.168 1.132 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.286 0.170 0.835 1.00 0.00 C ATOM 0 H PHE A 59 -9.864 -2.413 3.759 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.786 -1.860 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.049 -0.367 5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.763 -2.014 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.734 1.359 3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.013 -2.640 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.655 2.123 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.931 -1.879 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.248 0.506 -0.191 1.00 0.00 H new ATOM 866 N GLN A 60 -10.006 0.313 6.383 1.00 0.00 N ATOM 867 CA GLN A 60 -10.885 1.476 6.415 1.00 0.00 C ATOM 868 C GLN A 60 -10.220 2.679 5.752 1.00 0.00 C ATOM 869 O GLN A 60 -9.039 2.947 5.970 1.00 0.00 O ATOM 870 CB GLN A 60 -11.263 1.818 7.857 1.00 0.00 C ATOM 871 CG GLN A 60 -12.501 2.691 7.971 1.00 0.00 C ATOM 872 CD GLN A 60 -13.739 2.024 7.403 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.901 1.922 6.187 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.621 1.565 8.283 1.00 0.00 N ATOM 0 H GLN A 60 -9.598 0.069 7.286 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.790 1.231 5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.429 0.893 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.425 2.327 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.673 2.936 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.327 3.632 7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.447 1.671 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.473 1.107 7.960 1.00 0.00 H new ATOM 883 N CYS A 61 -10.988 3.402 4.942 1.00 0.00 N ATOM 884 CA CYS A 61 -10.473 4.576 4.248 1.00 0.00 C ATOM 885 C CYS A 61 -11.615 5.432 3.707 1.00 0.00 C ATOM 886 O CYS A 61 -12.787 5.146 3.950 1.00 0.00 O ATOM 887 CB CYS A 61 -9.549 4.155 3.104 1.00 0.00 C ATOM 888 SG CYS A 61 -10.363 3.177 1.821 1.00 0.00 S ATOM 0 H CYS A 61 -11.968 3.195 4.751 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.905 5.170 4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.122 5.048 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.720 3.579 3.514 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.596 2.184 1.481 1.00 0.00 H new ATOM 894 N GLU A 62 -11.263 6.483 2.974 1.00 0.00 N ATOM 895 CA GLU A 62 -12.257 7.380 2.397 1.00 0.00 C ATOM 896 C GLU A 62 -12.664 6.921 0.999 1.00 0.00 C ATOM 897 O GLU A 62 -11.976 6.109 0.379 1.00 0.00 O ATOM 898 CB GLU A 62 -11.712 8.809 2.338 1.00 0.00 C ATOM 899 CG GLU A 62 -11.772 9.540 3.670 1.00 0.00 C ATOM 900 CD GLU A 62 -12.833 10.622 3.695 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.930 10.391 3.145 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.566 11.701 4.265 1.00 0.00 O ATOM 0 H GLU A 62 -10.297 6.734 2.766 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.140 7.360 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.678 8.780 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.278 9.374 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.972 8.822 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.799 9.985 3.880 1.00 0.00 H new ATOM 909 N PRO A 63 -13.794 7.435 0.484 1.00 0.00 N ATOM 910 CA PRO A 63 -14.291 7.071 -0.848 1.00 0.00 C ATOM 911 C PRO A 63 -13.247 7.280 -1.938 1.00 0.00 C ATOM 912 O PRO A 63 -12.584 8.316 -1.986 1.00 0.00 O ATOM 913 CB PRO A 63 -15.474 8.019 -1.060 1.00 0.00 C ATOM 914 CG PRO A 63 -15.920 8.383 0.314 1.00 0.00 C ATOM 915 CD PRO A 63 -14.676 8.406 1.158 1.00 0.00 C ATOM 0 HA PRO A 63 -14.555 6.015 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.177 8.902 -1.626 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.274 7.535 -1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.414 9.355 0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.638 7.658 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.230 9.400 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.883 8.115 2.188 1.00 0.00 H new ATOM 923 N LEU A 64 -13.110 6.291 -2.815 1.00 0.00 N ATOM 924 CA LEU A 64 -12.151 6.365 -3.911 1.00 0.00 C ATOM 925 C LEU A 64 -10.744 6.663 -3.400 1.00 0.00 C ATOM 926 O LEU A 64 -9.929 7.251 -4.109 1.00 0.00 O ATOM 927 CB LEU A 64 -12.580 7.440 -4.912 1.00 0.00 C ATOM 928 CG LEU A 64 -13.970 7.242 -5.519 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.347 8.433 -6.387 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.018 5.955 -6.328 1.00 0.00 C ATOM 0 H LEU A 64 -13.652 5.427 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.132 5.394 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.552 8.410 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.849 7.475 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.694 7.166 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.339 8.275 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.352 9.338 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.621 8.540 -7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.014 5.829 -6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.284 6.003 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.791 5.109 -5.679 1.00 0.00 H new ATOM 942 N LYS A 65 -10.465 6.250 -2.168 1.00 0.00 N ATOM 943 CA LYS A 65 -9.154 6.472 -1.567 1.00 0.00 C ATOM 944 C LYS A 65 -8.511 5.151 -1.162 1.00 0.00 C ATOM 945 O LYS A 65 -7.846 5.062 -0.129 1.00 0.00 O ATOM 946 CB LYS A 65 -9.274 7.389 -0.348 1.00 0.00 C ATOM 947 CG LYS A 65 -9.867 8.752 -0.668 1.00 0.00 C ATOM 948 CD LYS A 65 -9.154 9.862 0.089 1.00 0.00 C ATOM 949 CE LYS A 65 -9.898 11.184 -0.023 1.00 0.00 C ATOM 950 NZ LYS A 65 -10.189 11.773 1.313 1.00 0.00 N ATOM 0 H LYS A 65 -11.128 5.760 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.519 6.952 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.893 6.900 0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.286 7.526 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.797 8.938 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.927 8.758 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.060 9.585 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.143 9.979 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.304 11.886 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.832 11.030 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.311 12.802 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.061 11.354 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.399 11.575 1.959 1.00 0.00 H new ATOM 964 N GLY A 66 -8.714 4.125 -1.982 1.00 0.00 N ATOM 965 CA GLY A 66 -8.146 2.821 -1.694 1.00 0.00 C ATOM 966 C GLY A 66 -8.077 1.935 -2.921 1.00 0.00 C ATOM 967 O GLY A 66 -9.082 1.725 -3.601 1.00 0.00 O ATOM 0 H GLY A 66 -9.262 4.173 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.144 2.947 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.744 2.329 -0.927 1.00 0.00 H new ATOM 971 N ILE A 67 -6.887 1.417 -3.208 1.00 0.00 N ATOM 972 CA ILE A 67 -6.690 0.549 -4.363 1.00 0.00 C ATOM 973 C ILE A 67 -5.710 -0.576 -4.042 1.00 0.00 C ATOM 974 O ILE A 67 -4.872 -0.447 -3.150 1.00 0.00 O ATOM 975 CB ILE A 67 -6.171 1.345 -5.579 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.070 0.437 -6.807 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.822 1.976 -5.267 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.130 1.189 -8.120 1.00 0.00 C ATOM 0 H ILE A 67 -6.045 1.583 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.661 0.119 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.880 2.144 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.136 -0.122 -6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.880 -0.292 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.471 2.533 -6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.924 2.653 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.103 1.194 -5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.053 0.483 -8.947 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.076 1.726 -8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.305 1.899 -8.171 1.00 0.00 H new ATOM 990 N PHE A 68 -5.824 -1.679 -4.774 1.00 0.00 N ATOM 991 CA PHE A 68 -4.949 -2.828 -4.567 1.00 0.00 C ATOM 992 C PHE A 68 -4.101 -3.098 -5.806 1.00 0.00 C ATOM 993 O PHE A 68 -4.629 -3.280 -6.903 1.00 0.00 O ATOM 994 CB PHE A 68 -5.775 -4.067 -4.220 1.00 0.00 C ATOM 995 CG PHE A 68 -6.724 -3.856 -3.075 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.918 -3.178 -3.265 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.422 -4.332 -1.810 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.793 -2.980 -2.214 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.294 -4.138 -0.755 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.480 -3.462 -0.957 1.00 0.00 C ATOM 0 H PHE A 68 -6.513 -1.802 -5.516 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.282 -2.600 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.342 -4.373 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.100 -4.887 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.167 -2.800 -4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.495 -4.861 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.720 -2.449 -2.375 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.047 -4.515 0.226 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.163 -3.310 -0.134 1.00 0.00 H new ATOM 1010 N THR A 69 -2.786 -3.122 -5.622 1.00 0.00 N ATOM 1011 CA THR A 69 -1.864 -3.369 -6.724 1.00 0.00 C ATOM 1012 C THR A 69 -0.689 -4.226 -6.266 1.00 0.00 C ATOM 1013 O THR A 69 -0.448 -4.379 -5.068 1.00 0.00 O ATOM 1014 CB THR A 69 -1.353 -2.047 -7.296 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.280 -2.270 -8.195 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.870 -1.082 -6.236 1.00 0.00 C ATOM 0 H THR A 69 -2.334 -2.973 -4.720 1.00 0.00 H new ATOM 0 HA THR A 69 -2.403 -3.908 -7.503 1.00 0.00 H new ATOM 0 HB THR A 69 -2.209 -1.604 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.032 -1.412 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.521 -0.165 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.689 -0.850 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.051 -1.535 -5.677 1.00 0.00 H new ATOM 1024 N ARG A 70 0.042 -4.784 -7.226 1.00 0.00 N ATOM 1025 CA ARG A 70 1.193 -5.625 -6.920 1.00 0.00 C ATOM 1026 C ARG A 70 2.313 -4.803 -6.282 1.00 0.00 C ATOM 1027 O ARG A 70 2.588 -3.682 -6.710 1.00 0.00 O ATOM 1028 CB ARG A 70 1.701 -6.309 -8.192 1.00 0.00 C ATOM 1029 CG ARG A 70 1.347 -7.786 -8.271 1.00 0.00 C ATOM 1030 CD ARG A 70 2.590 -8.659 -8.319 1.00 0.00 C ATOM 1031 NE ARG A 70 2.893 -9.107 -9.677 1.00 0.00 N ATOM 1032 CZ ARG A 70 2.269 -10.116 -10.280 1.00 0.00 C ATOM 1033 NH1 ARG A 70 1.310 -10.785 -9.652 1.00 0.00 N ATOM 1034 NH2 ARG A 70 2.606 -10.458 -11.517 1.00 0.00 N ATOM 0 H ARG A 70 -0.143 -4.669 -8.222 1.00 0.00 H new ATOM 0 HA ARG A 70 0.879 -6.388 -6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.286 -5.797 -9.060 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.784 -6.200 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.741 -8.062 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.740 -7.968 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.439 -8.102 -7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.449 -9.526 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 70 3.625 -8.618 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.047 -10.527 -8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.836 -11.557 -10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.342 -9.948 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.129 -11.231 -11.980 1.00 0.00 H new ATOM 1048 N PRO A 71 2.979 -5.349 -5.248 1.00 0.00 N ATOM 1049 CA PRO A 71 4.072 -4.654 -4.560 1.00 0.00 C ATOM 1050 C PRO A 71 5.174 -4.219 -5.521 1.00 0.00 C ATOM 1051 O PRO A 71 5.712 -3.118 -5.407 1.00 0.00 O ATOM 1052 CB PRO A 71 4.607 -5.700 -3.578 1.00 0.00 C ATOM 1053 CG PRO A 71 3.476 -6.647 -3.371 1.00 0.00 C ATOM 1054 CD PRO A 71 2.721 -6.682 -4.671 1.00 0.00 C ATOM 0 HA PRO A 71 3.729 -3.738 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.481 -6.211 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.913 -5.240 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.841 -7.639 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.833 -6.315 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.079 -7.479 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.656 -6.853 -4.513 1.00 0.00 H new ATOM 1062 N SER A 72 5.503 -5.092 -6.468 1.00 0.00 N ATOM 1063 CA SER A 72 6.541 -4.802 -7.450 1.00 0.00 C ATOM 1064 C SER A 72 6.245 -3.504 -8.199 1.00 0.00 C ATOM 1065 O SER A 72 7.152 -2.863 -8.730 1.00 0.00 O ATOM 1066 CB SER A 72 6.669 -5.958 -8.444 1.00 0.00 C ATOM 1067 OG SER A 72 8.018 -6.156 -8.828 1.00 0.00 O ATOM 0 H SER A 72 5.065 -6.007 -6.576 1.00 0.00 H new ATOM 0 HA SER A 72 7.483 -4.682 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.278 -6.871 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.063 -5.751 -9.326 1.00 0.00 H new ATOM 0 HG SER A 72 8.072 -6.901 -9.462 1.00 0.00 H new ATOM 1073 N LYS A 73 4.973 -3.122 -8.239 1.00 0.00 N ATOM 1074 CA LYS A 73 4.562 -1.901 -8.924 1.00 0.00 C ATOM 1075 C LYS A 73 4.425 -0.744 -7.941 1.00 0.00 C ATOM 1076 O LYS A 73 3.570 0.127 -8.107 1.00 0.00 O ATOM 1077 CB LYS A 73 3.237 -2.122 -9.655 1.00 0.00 C ATOM 1078 CG LYS A 73 3.201 -3.400 -10.480 1.00 0.00 C ATOM 1079 CD LYS A 73 3.680 -3.159 -11.903 1.00 0.00 C ATOM 1080 CE LYS A 73 5.121 -3.606 -12.090 1.00 0.00 C ATOM 1081 NZ LYS A 73 5.322 -4.303 -13.391 1.00 0.00 N ATOM 0 H LYS A 73 4.209 -3.640 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 73 5.333 -1.647 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.429 -2.149 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.047 -1.272 -10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.827 -4.157 -10.008 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.185 -3.794 -10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.038 -3.697 -12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.593 -2.099 -12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.780 -2.739 -12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.403 -4.271 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.317 -4.592 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.712 -5.145 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.077 -3.660 -14.171 1.00 0.00 H new ATOM 1095 N LEU A 74 5.271 -0.737 -6.916 1.00 0.00 N ATOM 1096 CA LEU A 74 5.244 0.314 -5.906 1.00 0.00 C ATOM 1097 C LEU A 74 6.634 0.906 -5.699 1.00 0.00 C ATOM 1098 O LEU A 74 7.632 0.185 -5.694 1.00 0.00 O ATOM 1099 CB LEU A 74 4.707 -0.233 -4.582 1.00 0.00 C ATOM 1100 CG LEU A 74 3.261 -0.728 -4.625 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.819 -1.202 -3.250 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.338 0.367 -5.136 1.00 0.00 C ATOM 0 H LEU A 74 5.985 -1.449 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 74 4.581 1.104 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.347 -1.055 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.785 0.548 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 74 3.206 -1.572 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.787 -1.551 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.463 -2.018 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.889 -0.377 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.313 -0.003 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.397 1.231 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.642 0.659 -6.141 1.00 0.00 H new ATOM 1114 N THR A 75 6.693 2.223 -5.529 1.00 0.00 N ATOM 1115 CA THR A 75 7.961 2.912 -5.322 1.00 0.00 C ATOM 1116 C THR A 75 7.863 3.898 -4.161 1.00 0.00 C ATOM 1117 O THR A 75 6.851 4.578 -3.996 1.00 0.00 O ATOM 1118 CB THR A 75 8.382 3.646 -6.596 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.508 4.729 -6.861 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.396 2.758 -7.821 1.00 0.00 C ATOM 0 H THR A 75 5.877 2.834 -5.531 1.00 0.00 H new ATOM 0 HA THR A 75 8.715 2.164 -5.077 1.00 0.00 H new ATOM 0 HB THR A 75 9.398 3.994 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.579 4.428 -6.776 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.703 3.341 -8.689 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.097 1.938 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.397 2.355 -7.989 1.00 0.00 H new ATOM 1128 N ARG A 76 8.921 3.969 -3.361 1.00 0.00 N ATOM 1129 CA ARG A 76 8.956 4.872 -2.217 1.00 0.00 C ATOM 1130 C ARG A 76 9.232 6.305 -2.661 1.00 0.00 C ATOM 1131 O ARG A 76 10.385 6.705 -2.816 1.00 0.00 O ATOM 1132 CB ARG A 76 10.022 4.421 -1.216 1.00 0.00 C ATOM 1133 CG ARG A 76 9.703 4.796 0.222 1.00 0.00 C ATOM 1134 CD ARG A 76 10.963 4.872 1.070 1.00 0.00 C ATOM 1135 NE ARG A 76 11.428 6.246 1.239 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.893 7.110 2.099 1.00 0.00 C ATOM 1137 NH1 ARG A 76 9.876 6.745 2.870 1.00 0.00 N ATOM 1138 NH2 ARG A 76 11.377 8.341 2.191 1.00 0.00 N ATOM 0 H ARG A 76 9.766 3.412 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 76 7.979 4.843 -1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.138 3.339 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.979 4.862 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.190 5.758 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.020 4.061 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.768 4.432 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.749 4.278 0.604 1.00 0.00 H new ATOM 0 HE ARG A 76 12.209 6.562 0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.501 5.799 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.470 7.411 3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.160 8.627 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.967 9.002 2.850 1.00 0.00 H new ATOM 1152 N LYS A 77 8.166 7.072 -2.863 1.00 0.00 N ATOM 1153 CA LYS A 77 8.293 8.460 -3.289 1.00 0.00 C ATOM 1154 C LYS A 77 8.990 8.554 -4.643 1.00 0.00 C ATOM 1155 O LYS A 77 9.753 7.667 -5.022 1.00 0.00 O ATOM 1156 CB LYS A 77 9.067 9.267 -2.246 1.00 0.00 C ATOM 1157 CG LYS A 77 8.541 10.681 -2.056 1.00 0.00 C ATOM 1158 CD LYS A 77 9.314 11.424 -0.977 1.00 0.00 C ATOM 1159 CE LYS A 77 8.524 11.502 0.319 1.00 0.00 C ATOM 1160 NZ LYS A 77 9.398 11.810 1.485 1.00 0.00 N ATOM 0 H LYS A 77 7.204 6.755 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 77 7.290 8.876 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.028 8.743 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.115 9.315 -2.541 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.613 11.226 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.485 10.644 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.264 10.920 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.548 12.431 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.755 12.269 0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.012 10.555 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.821 11.854 2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.117 11.065 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.867 12.726 1.335 1.00 0.00 H new