USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 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= -0.166 K(o=-0.17,f=-2.1!) USER MOD Single : A 19 ASN : amide:sc= 0.00445 X(o=0.0045,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.252) USER MOD Single : A 25 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 30 THR OG1 : rot 168:sc= 1.72 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.621 K(o=-0.62,f=-5.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.99 X(o=-0.99,f=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.263 USER MOD Single : A 60 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.89) USER MOD Single : A 61 CYS SG : rot -127:sc= -0.0699 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0.804 (180deg=0.797) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-0.756) USER MOD Single : A 75 THR OG1 : rot -59:sc= 0.686 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.724 -3.324 0.984 1.00 0.00 N ATOM 69 CA PHE A 8 7.038 -2.218 1.643 1.00 0.00 C ATOM 70 C PHE A 8 6.289 -2.703 2.881 1.00 0.00 C ATOM 71 O PHE A 8 5.709 -3.788 2.881 1.00 0.00 O ATOM 72 CB PHE A 8 6.063 -1.544 0.676 1.00 0.00 C ATOM 73 CG PHE A 8 6.662 -1.240 -0.667 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.736 -2.220 -1.645 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.151 0.024 -0.952 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.285 -1.943 -2.882 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.702 0.307 -2.187 1.00 0.00 C ATOM 78 CZ PHE A 8 7.770 -0.677 -3.154 1.00 0.00 C ATOM 0 HA PHE A 8 7.789 -1.492 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.195 -2.189 0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.704 -0.617 1.123 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.360 -3.211 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.101 0.798 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.335 -2.715 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.079 1.297 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.201 -0.458 -4.120 1.00 0.00 H new ATOM 88 N ARG A 9 6.307 -1.891 3.932 1.00 0.00 N ATOM 89 CA ARG A 9 5.628 -2.237 5.176 1.00 0.00 C ATOM 90 C ARG A 9 4.483 -1.271 5.456 1.00 0.00 C ATOM 91 O ARG A 9 4.373 -0.222 4.822 1.00 0.00 O ATOM 92 CB ARG A 9 6.620 -2.225 6.341 1.00 0.00 C ATOM 93 CG ARG A 9 7.349 -3.545 6.533 1.00 0.00 C ATOM 94 CD ARG A 9 6.444 -4.597 7.156 1.00 0.00 C ATOM 95 NE ARG A 9 6.468 -5.852 6.408 1.00 0.00 N ATOM 96 CZ ARG A 9 7.495 -6.699 6.415 1.00 0.00 C ATOM 97 NH1 ARG A 9 8.581 -6.431 7.128 1.00 0.00 N ATOM 98 NH2 ARG A 9 7.434 -7.819 5.706 1.00 0.00 N ATOM 0 H ARG A 9 6.784 -0.989 3.948 1.00 0.00 H new ATOM 0 HA ARG A 9 5.214 -3.240 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.353 -1.436 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.087 -1.977 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.715 -3.903 5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.221 -3.391 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.757 -4.781 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.423 -4.219 7.197 1.00 0.00 H new ATOM 0 HE ARG A 9 5.650 -6.093 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.633 -5.572 7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.364 -7.084 7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.601 -8.030 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.220 -8.469 5.710 1.00 0.00 H new ATOM 112 N VAL A 10 3.631 -1.630 6.411 1.00 0.00 N ATOM 113 CA VAL A 10 2.495 -0.795 6.775 1.00 0.00 C ATOM 114 C VAL A 10 2.955 0.499 7.438 1.00 0.00 C ATOM 115 O VAL A 10 3.836 0.488 8.297 1.00 0.00 O ATOM 116 CB VAL A 10 1.535 -1.533 7.728 1.00 0.00 C ATOM 117 CG1 VAL A 10 0.263 -0.726 7.937 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.214 -2.920 7.191 1.00 0.00 C ATOM 0 H VAL A 10 3.707 -2.495 6.946 1.00 0.00 H new ATOM 0 HA VAL A 10 1.967 -0.560 5.851 1.00 0.00 H new ATOM 0 HB VAL A 10 2.027 -1.647 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.402 -1.264 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.514 0.243 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.235 -0.578 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.535 -3.427 7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.742 -2.831 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.134 -3.497 7.099 1.00 0.00 H new ATOM 128 N GLY A 11 2.352 1.612 7.032 1.00 0.00 N ATOM 129 CA GLY A 11 2.714 2.899 7.598 1.00 0.00 C ATOM 130 C GLY A 11 3.609 3.706 6.679 1.00 0.00 C ATOM 131 O GLY A 11 3.639 4.934 6.752 1.00 0.00 O ATOM 0 H GLY A 11 1.620 1.646 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.808 3.467 7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.222 2.744 8.550 1.00 0.00 H new ATOM 135 N GLU A 12 4.343 3.015 5.811 1.00 0.00 N ATOM 136 CA GLU A 12 5.244 3.677 4.875 1.00 0.00 C ATOM 137 C GLU A 12 4.505 4.089 3.605 1.00 0.00 C ATOM 138 O GLU A 12 3.820 3.277 2.984 1.00 0.00 O ATOM 139 CB GLU A 12 6.413 2.756 4.521 1.00 0.00 C ATOM 140 CG GLU A 12 7.228 2.316 5.727 1.00 0.00 C ATOM 141 CD GLU A 12 8.651 1.943 5.362 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.880 1.534 4.204 1.00 0.00 O ATOM 143 OE2 GLU A 12 9.537 2.058 6.235 1.00 0.00 O ATOM 0 H GLU A 12 4.331 1.998 5.737 1.00 0.00 H new ATOM 0 HA GLU A 12 5.630 4.575 5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.027 1.873 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.069 3.269 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.244 3.120 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.742 1.462 6.198 1.00 0.00 H new ATOM 150 N ARG A 13 4.650 5.354 3.227 1.00 0.00 N ATOM 151 CA ARG A 13 3.996 5.873 2.031 1.00 0.00 C ATOM 152 C ARG A 13 4.564 5.220 0.776 1.00 0.00 C ATOM 153 O ARG A 13 5.742 4.864 0.727 1.00 0.00 O ATOM 154 CB ARG A 13 4.164 7.392 1.950 1.00 0.00 C ATOM 155 CG ARG A 13 3.058 8.085 1.171 1.00 0.00 C ATOM 156 CD ARG A 13 2.376 9.161 2.001 1.00 0.00 C ATOM 157 NE ARG A 13 1.765 10.192 1.167 1.00 0.00 N ATOM 158 CZ ARG A 13 1.428 11.401 1.610 1.00 0.00 C ATOM 159 NH1 ARG A 13 1.642 11.735 2.877 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.876 12.280 0.784 1.00 0.00 N ATOM 0 H ARG A 13 5.214 6.039 3.731 1.00 0.00 H new ATOM 0 HA ARG A 13 2.934 5.635 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.196 7.800 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.123 7.619 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.474 8.531 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.320 7.348 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.612 8.704 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.105 9.620 2.669 1.00 0.00 H new ATOM 0 HE ARG A 13 1.586 9.973 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.067 11.064 3.517 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.382 12.663 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.710 12.029 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.618 13.207 1.124 1.00 0.00 H new ATOM 174 N VAL A 14 3.719 5.065 -0.238 1.00 0.00 N ATOM 175 CA VAL A 14 4.137 4.453 -1.494 1.00 0.00 C ATOM 176 C VAL A 14 3.565 5.207 -2.690 1.00 0.00 C ATOM 177 O VAL A 14 2.486 5.794 -2.609 1.00 0.00 O ATOM 178 CB VAL A 14 3.701 2.979 -1.575 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.578 2.112 -0.686 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.235 2.835 -1.194 1.00 0.00 C ATOM 0 H VAL A 14 2.741 5.355 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 14 5.225 4.503 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 14 3.821 2.640 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.254 1.074 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.616 2.191 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.494 2.449 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.944 1.786 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.087 3.192 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.622 3.423 -1.877 1.00 0.00 H new ATOM 190 N TRP A 15 4.296 5.186 -3.800 1.00 0.00 N ATOM 191 CA TRP A 15 3.861 5.865 -5.014 1.00 0.00 C ATOM 192 C TRP A 15 3.420 4.860 -6.072 1.00 0.00 C ATOM 193 O TRP A 15 4.248 4.270 -6.766 1.00 0.00 O ATOM 194 CB TRP A 15 4.990 6.742 -5.563 1.00 0.00 C ATOM 195 CG TRP A 15 4.839 8.193 -5.216 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.609 9.222 -6.083 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.908 8.774 -3.909 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.532 10.408 -5.395 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.712 10.160 -4.059 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.117 8.258 -2.627 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.718 11.034 -2.976 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.123 9.127 -1.552 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.924 10.502 -1.732 1.00 0.00 C ATOM 0 H TRP A 15 5.192 4.706 -3.883 1.00 0.00 H new ATOM 0 HA TRP A 15 3.008 6.496 -4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.942 6.380 -5.175 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.027 6.637 -6.647 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.503 9.119 -7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.368 11.325 -5.811 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.271 7.199 -2.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.566 12.094 -3.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.284 8.740 -0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.933 11.155 -0.872 1.00 0.00 H new ATOM 214 N VAL A 16 2.110 4.671 -6.193 1.00 0.00 N ATOM 215 CA VAL A 16 1.560 3.738 -7.168 1.00 0.00 C ATOM 216 C VAL A 16 1.790 4.239 -8.591 1.00 0.00 C ATOM 217 O VAL A 16 1.572 5.412 -8.889 1.00 0.00 O ATOM 218 CB VAL A 16 0.050 3.518 -6.951 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.471 2.425 -7.871 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.239 3.182 -5.495 1.00 0.00 C ATOM 0 H VAL A 16 1.410 5.152 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 16 2.079 2.790 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.470 4.444 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.539 2.285 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.302 2.712 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.054 1.493 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.310 3.030 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.293 2.272 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.093 4.003 -4.859 1.00 0.00 H new ATOM 230 N ASN A 17 2.237 3.341 -9.463 1.00 0.00 N ATOM 231 CA ASN A 17 2.499 3.694 -10.855 1.00 0.00 C ATOM 232 C ASN A 17 3.511 4.834 -10.950 1.00 0.00 C ATOM 233 O ASN A 17 3.567 5.543 -11.955 1.00 0.00 O ATOM 234 CB ASN A 17 1.199 4.092 -11.555 1.00 0.00 C ATOM 235 CG ASN A 17 0.464 2.898 -12.132 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.055 1.843 -12.362 1.00 0.00 O ATOM 237 ND2 ASN A 17 -0.832 3.061 -12.372 1.00 0.00 N ATOM 0 H ASN A 17 2.425 2.366 -9.232 1.00 0.00 H new ATOM 0 HA ASN A 17 2.919 2.819 -11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.550 4.606 -10.846 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.422 4.799 -12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.379 2.294 -12.763 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.281 3.954 -12.166 1.00 0.00 H new ATOM 244 N GLY A 18 4.310 5.005 -9.900 1.00 0.00 N ATOM 245 CA GLY A 18 5.308 6.058 -9.889 1.00 0.00 C ATOM 246 C GLY A 18 4.707 7.435 -10.099 1.00 0.00 C ATOM 247 O GLY A 18 5.322 8.297 -10.729 1.00 0.00 O ATOM 0 H GLY A 18 4.283 4.432 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.840 6.039 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.044 5.864 -10.669 1.00 0.00 H new ATOM 251 N ASN A 19 3.504 7.646 -9.571 1.00 0.00 N ATOM 252 CA ASN A 19 2.826 8.930 -9.707 1.00 0.00 C ATOM 253 C ASN A 19 1.492 8.929 -8.963 1.00 0.00 C ATOM 254 O ASN A 19 0.515 9.518 -9.424 1.00 0.00 O ATOM 255 CB ASN A 19 2.600 9.257 -11.185 1.00 0.00 C ATOM 256 CG ASN A 19 2.972 10.688 -11.523 1.00 0.00 C ATOM 257 OD1 ASN A 19 2.181 11.609 -11.324 1.00 0.00 O ATOM 258 ND2 ASN A 19 4.181 10.879 -12.037 1.00 0.00 N ATOM 0 H ASN A 19 2.980 6.945 -9.046 1.00 0.00 H new ATOM 0 HA ASN A 19 3.464 9.695 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.189 8.576 -11.799 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.553 9.087 -11.436 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.487 11.820 -12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.804 10.085 -12.185 1.00 0.00 H new ATOM 265 N LYS A 20 1.460 8.266 -7.811 1.00 0.00 N ATOM 266 CA LYS A 20 0.247 8.191 -7.004 1.00 0.00 C ATOM 267 C LYS A 20 0.574 7.793 -5.566 1.00 0.00 C ATOM 268 O LYS A 20 0.667 6.608 -5.249 1.00 0.00 O ATOM 269 CB LYS A 20 -0.734 7.187 -7.611 1.00 0.00 C ATOM 270 CG LYS A 20 -1.441 7.701 -8.855 1.00 0.00 C ATOM 271 CD LYS A 20 -2.822 7.083 -9.007 1.00 0.00 C ATOM 272 CE LYS A 20 -3.262 7.054 -10.461 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.994 8.347 -11.151 1.00 0.00 N ATOM 0 H LYS A 20 2.260 7.773 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.214 9.179 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.196 6.272 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.481 6.923 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.531 8.786 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.841 7.474 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.814 6.069 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.543 7.651 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.741 6.250 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.327 6.829 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.526 8.381 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.292 9.135 -10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.977 8.430 -11.351 1.00 0.00 H new ATOM 287 N PRO A 21 0.754 8.782 -4.671 1.00 0.00 N ATOM 288 CA PRO A 21 1.071 8.521 -3.263 1.00 0.00 C ATOM 289 C PRO A 21 -0.090 7.873 -2.518 1.00 0.00 C ATOM 290 O PRO A 21 -1.226 7.875 -2.993 1.00 0.00 O ATOM 291 CB PRO A 21 1.360 9.914 -2.696 1.00 0.00 C ATOM 292 CG PRO A 21 0.628 10.850 -3.593 1.00 0.00 C ATOM 293 CD PRO A 21 0.662 10.225 -4.960 1.00 0.00 C ATOM 0 HA PRO A 21 1.902 7.824 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.014 10.001 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.429 10.125 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.398 10.993 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.100 11.832 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.233 10.464 -5.534 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.516 10.574 -5.541 1.00 0.00 H new ATOM 301 N GLY A 22 0.203 7.319 -1.345 1.00 0.00 N ATOM 302 CA GLY A 22 -0.827 6.674 -0.551 1.00 0.00 C ATOM 303 C GLY A 22 -0.258 5.921 0.634 1.00 0.00 C ATOM 304 O GLY A 22 0.840 5.370 0.560 1.00 0.00 O ATOM 0 H GLY A 22 1.135 7.305 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.532 7.426 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.388 5.984 -1.181 1.00 0.00 H new ATOM 308 N PHE A 23 -1.007 5.896 1.732 1.00 0.00 N ATOM 309 CA PHE A 23 -0.571 5.206 2.940 1.00 0.00 C ATOM 310 C PHE A 23 -0.984 3.738 2.908 1.00 0.00 C ATOM 311 O PHE A 23 -2.116 3.410 2.555 1.00 0.00 O ATOM 312 CB PHE A 23 -1.156 5.884 4.180 1.00 0.00 C ATOM 313 CG PHE A 23 -0.629 7.272 4.410 1.00 0.00 C ATOM 314 CD1 PHE A 23 -1.167 8.353 3.731 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.403 7.495 5.307 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.683 9.631 3.940 1.00 0.00 C ATOM 317 CE2 PHE A 23 0.890 8.770 5.522 1.00 0.00 C ATOM 318 CZ PHE A 23 0.346 9.839 4.837 1.00 0.00 C ATOM 0 H PHE A 23 -1.919 6.346 1.810 1.00 0.00 H new ATOM 0 HA PHE A 23 0.517 5.258 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.241 5.927 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.939 5.272 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.974 8.196 3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.832 6.662 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.109 10.465 3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.695 8.930 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.725 10.837 5.003 1.00 0.00 H new ATOM 328 N ILE A 24 -0.057 2.859 3.279 1.00 0.00 N ATOM 329 CA ILE A 24 -0.326 1.427 3.292 1.00 0.00 C ATOM 330 C ILE A 24 -1.018 1.010 4.586 1.00 0.00 C ATOM 331 O ILE A 24 -0.595 1.391 5.678 1.00 0.00 O ATOM 332 CB ILE A 24 0.970 0.610 3.131 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.781 1.127 1.941 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.649 -0.867 2.958 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.191 0.581 1.887 1.00 0.00 C ATOM 0 H ILE A 24 0.885 3.114 3.574 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.984 1.221 2.448 1.00 0.00 H new ATOM 0 HB ILE A 24 1.569 0.728 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.263 0.866 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.823 2.215 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.576 -1.430 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.110 -1.227 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.031 -1.004 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.707 0.990 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.726 0.865 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.158 -0.506 1.811 1.00 0.00 H new ATOM 347 N GLN A 25 -2.084 0.228 4.456 1.00 0.00 N ATOM 348 CA GLN A 25 -2.836 -0.240 5.615 1.00 0.00 C ATOM 349 C GLN A 25 -2.837 -1.764 5.686 1.00 0.00 C ATOM 350 O GLN A 25 -2.425 -2.350 6.686 1.00 0.00 O ATOM 351 CB GLN A 25 -4.274 0.279 5.561 1.00 0.00 C ATOM 352 CG GLN A 25 -4.431 1.692 6.098 1.00 0.00 C ATOM 353 CD GLN A 25 -4.512 1.734 7.612 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.601 1.767 8.186 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.356 1.733 8.266 1.00 0.00 N ATOM 0 H GLN A 25 -2.447 -0.095 3.559 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.350 0.147 6.510 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.623 0.251 4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.915 -0.392 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.589 2.299 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.332 2.139 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.477 1.705 7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.347 1.760 9.286 1.00 0.00 H new ATOM 364 N PHE A 26 -3.302 -2.401 4.616 1.00 0.00 N ATOM 365 CA PHE A 26 -3.358 -3.856 4.556 1.00 0.00 C ATOM 366 C PHE A 26 -2.177 -4.415 3.769 1.00 0.00 C ATOM 367 O PHE A 26 -1.700 -3.793 2.820 1.00 0.00 O ATOM 368 CB PHE A 26 -4.672 -4.311 3.919 1.00 0.00 C ATOM 369 CG PHE A 26 -5.109 -5.680 4.356 1.00 0.00 C ATOM 370 CD1 PHE A 26 -4.592 -6.814 3.751 1.00 0.00 C ATOM 371 CD2 PHE A 26 -6.038 -5.833 5.373 1.00 0.00 C ATOM 372 CE1 PHE A 26 -4.991 -8.074 4.151 1.00 0.00 C ATOM 373 CE2 PHE A 26 -6.442 -7.091 5.777 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.919 -8.213 5.166 1.00 0.00 C ATOM 0 H PHE A 26 -3.646 -1.931 3.778 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.305 -4.239 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.454 -3.593 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.563 -4.302 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.868 -6.711 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.451 -4.959 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.579 -8.950 3.672 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.167 -7.197 6.571 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.234 -9.197 5.480 1.00 0.00 H new ATOM 384 N LEU A 27 -1.710 -5.593 4.170 1.00 0.00 N ATOM 385 CA LEU A 27 -0.585 -6.238 3.503 1.00 0.00 C ATOM 386 C LEU A 27 -0.744 -7.755 3.513 1.00 0.00 C ATOM 387 O LEU A 27 -0.498 -8.408 4.526 1.00 0.00 O ATOM 388 CB LEU A 27 0.730 -5.844 4.180 1.00 0.00 C ATOM 389 CG LEU A 27 1.449 -4.648 3.555 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.753 -4.368 4.284 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.706 -4.896 2.076 1.00 0.00 C ATOM 0 H LEU A 27 -2.094 -6.121 4.954 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.566 -5.901 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.528 -5.620 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.402 -6.702 4.161 1.00 0.00 H new ATOM 0 HG LEU A 27 0.808 -3.772 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.250 -3.514 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.544 -4.147 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.401 -5.242 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.218 -4.035 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.327 -5.784 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.757 -5.047 1.562 1.00 0.00 H new ATOM 403 N GLY A 28 -1.155 -8.309 2.377 1.00 0.00 N ATOM 404 CA GLY A 28 -1.339 -9.745 2.276 1.00 0.00 C ATOM 405 C GLY A 28 -2.257 -10.133 1.135 1.00 0.00 C ATOM 406 O GLY A 28 -2.863 -9.273 0.495 1.00 0.00 O ATOM 0 H GLY A 28 -1.364 -7.789 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.370 -10.223 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.749 -10.122 3.213 1.00 0.00 H new ATOM 410 N GLU A 29 -2.360 -11.433 0.876 1.00 0.00 N ATOM 411 CA GLU A 29 -3.211 -11.934 -0.197 1.00 0.00 C ATOM 412 C GLU A 29 -4.666 -11.539 0.032 1.00 0.00 C ATOM 413 O GLU A 29 -5.049 -11.158 1.138 1.00 0.00 O ATOM 414 CB GLU A 29 -3.093 -13.455 -0.303 1.00 0.00 C ATOM 415 CG GLU A 29 -3.584 -14.190 0.934 1.00 0.00 C ATOM 416 CD GLU A 29 -4.930 -14.854 0.722 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.009 -15.785 -0.106 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.906 -14.443 1.385 1.00 0.00 O ATOM 0 H GLU A 29 -1.865 -12.158 1.395 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.875 -11.485 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.662 -13.796 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.051 -13.719 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.851 -14.945 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.656 -13.488 1.765 1.00 0.00 H new ATOM 425 N THR A 30 -5.472 -11.633 -1.019 1.00 0.00 N ATOM 426 CA THR A 30 -6.887 -11.287 -0.933 1.00 0.00 C ATOM 427 C THR A 30 -7.761 -12.447 -1.396 1.00 0.00 C ATOM 428 O THR A 30 -7.260 -13.517 -1.739 1.00 0.00 O ATOM 429 CB THR A 30 -7.180 -10.044 -1.775 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.765 -10.237 -3.116 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.497 -8.796 -1.259 1.00 0.00 C ATOM 0 H THR A 30 -5.170 -11.946 -1.942 1.00 0.00 H new ATOM 0 HA THR A 30 -7.121 -11.075 0.110 1.00 0.00 H new ATOM 0 HB THR A 30 -8.259 -9.901 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.134 -9.524 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.747 -7.952 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.834 -8.590 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.417 -8.945 -1.260 1.00 0.00 H new ATOM 439 N GLN A 31 -9.072 -12.228 -1.402 1.00 0.00 N ATOM 440 CA GLN A 31 -10.016 -13.255 -1.824 1.00 0.00 C ATOM 441 C GLN A 31 -10.432 -13.051 -3.276 1.00 0.00 C ATOM 442 O GLN A 31 -10.559 -14.011 -4.037 1.00 0.00 O ATOM 443 CB GLN A 31 -11.252 -13.242 -0.922 1.00 0.00 C ATOM 444 CG GLN A 31 -10.960 -13.640 0.516 1.00 0.00 C ATOM 445 CD GLN A 31 -12.219 -13.801 1.344 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.539 -12.956 2.181 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.943 -14.890 1.114 1.00 0.00 N ATOM 0 H GLN A 31 -9.504 -11.348 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.521 -14.223 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.689 -12.243 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.999 -13.921 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.402 -14.577 0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.322 -12.885 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.641 -15.564 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.802 -15.052 1.640 1.00 0.00 H new ATOM 456 N PHE A 32 -10.642 -11.795 -3.655 1.00 0.00 N ATOM 457 CA PHE A 32 -11.041 -11.465 -5.018 1.00 0.00 C ATOM 458 C PHE A 32 -9.985 -11.917 -6.021 1.00 0.00 C ATOM 459 O PHE A 32 -10.306 -12.300 -7.145 1.00 0.00 O ATOM 460 CB PHE A 32 -11.278 -9.959 -5.153 1.00 0.00 C ATOM 461 CG PHE A 32 -10.118 -9.126 -4.688 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.019 -8.926 -5.507 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.127 -8.541 -3.431 1.00 0.00 C ATOM 464 CE1 PHE A 32 -7.950 -8.159 -5.083 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.062 -7.774 -3.001 1.00 0.00 C ATOM 466 CZ PHE A 32 -7.972 -7.582 -3.827 1.00 0.00 C ATOM 0 H PHE A 32 -10.543 -10.989 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.970 -11.993 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.488 -9.724 -6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.164 -9.686 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.997 -9.375 -6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.977 -8.687 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.099 -8.011 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.082 -7.325 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.138 -6.982 -3.492 1.00 0.00 H new ATOM 476 N ALA A 33 -8.724 -11.871 -5.604 1.00 0.00 N ATOM 477 CA ALA A 33 -7.620 -12.277 -6.466 1.00 0.00 C ATOM 478 C ALA A 33 -6.535 -12.995 -5.667 1.00 0.00 C ATOM 479 O ALA A 33 -6.275 -12.654 -4.513 1.00 0.00 O ATOM 480 CB ALA A 33 -7.039 -11.067 -7.182 1.00 0.00 C ATOM 0 H ALA A 33 -8.441 -11.557 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.007 -12.974 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.216 -11.384 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.812 -10.598 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.672 -10.351 -6.447 1.00 0.00 H new ATOM 486 N PRO A 34 -5.882 -14.003 -6.272 1.00 0.00 N ATOM 487 CA PRO A 34 -4.822 -14.767 -5.609 1.00 0.00 C ATOM 488 C PRO A 34 -3.523 -13.976 -5.492 1.00 0.00 C ATOM 489 O PRO A 34 -3.407 -12.873 -6.024 1.00 0.00 O ATOM 490 CB PRO A 34 -4.632 -15.974 -6.528 1.00 0.00 C ATOM 491 CG PRO A 34 -5.030 -15.483 -7.877 1.00 0.00 C ATOM 492 CD PRO A 34 -6.127 -14.479 -7.648 1.00 0.00 C ATOM 0 HA PRO A 34 -5.087 -15.030 -4.585 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.598 -16.319 -6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.251 -16.814 -6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.184 -15.026 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.378 -16.304 -8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.080 -13.663 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.113 -14.934 -7.745 1.00 0.00 H new ATOM 500 N GLY A 35 -2.548 -14.549 -4.793 1.00 0.00 N ATOM 501 CA GLY A 35 -1.270 -13.885 -4.621 1.00 0.00 C ATOM 502 C GLY A 35 -1.321 -12.792 -3.571 1.00 0.00 C ATOM 503 O GLY A 35 -2.401 -12.379 -3.148 1.00 0.00 O ATOM 0 H GLY A 35 -2.621 -15.461 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.517 -14.621 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.956 -13.456 -5.573 1.00 0.00 H new ATOM 507 N GLN A 36 -0.151 -12.323 -3.151 1.00 0.00 N ATOM 508 CA GLN A 36 -0.065 -11.271 -2.145 1.00 0.00 C ATOM 509 C GLN A 36 -0.566 -9.943 -2.701 1.00 0.00 C ATOM 510 O GLN A 36 -0.546 -9.719 -3.912 1.00 0.00 O ATOM 511 CB GLN A 36 1.377 -11.120 -1.656 1.00 0.00 C ATOM 512 CG GLN A 36 1.735 -12.060 -0.516 1.00 0.00 C ATOM 513 CD GLN A 36 1.709 -13.518 -0.931 1.00 0.00 C ATOM 514 OE1 GLN A 36 1.765 -13.837 -2.119 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.623 -14.411 0.048 1.00 0.00 N ATOM 0 H GLN A 36 0.751 -12.655 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.699 -11.555 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.055 -11.299 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.536 -10.092 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.728 -11.810 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.037 -11.908 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.579 -14.101 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.601 -15.407 -0.171 1.00 0.00 H new ATOM 524 N TRP A 37 -1.016 -9.065 -1.812 1.00 0.00 N ATOM 525 CA TRP A 37 -1.522 -7.758 -2.214 1.00 0.00 C ATOM 526 C TRP A 37 -1.118 -6.685 -1.210 1.00 0.00 C ATOM 527 O TRP A 37 -0.480 -6.976 -0.198 1.00 0.00 O ATOM 528 CB TRP A 37 -3.046 -7.798 -2.351 1.00 0.00 C ATOM 529 CG TRP A 37 -3.514 -8.511 -3.582 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.870 -9.825 -3.684 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.675 -7.949 -4.890 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.244 -10.114 -4.974 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.134 -8.978 -5.734 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.480 -6.673 -5.429 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.397 -8.772 -7.085 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.741 -6.471 -6.771 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.196 -7.515 -7.586 1.00 0.00 C ATOM 0 H TRP A 37 -1.041 -9.235 -0.807 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.084 -7.508 -3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.470 -8.287 -1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.429 -6.778 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.859 -10.534 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.553 -11.025 -5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.132 -5.861 -4.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.747 -9.576 -7.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.591 -5.491 -7.199 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.392 -7.324 -8.631 1.00 0.00 H new ATOM 548 N ALA A 38 -1.494 -5.442 -1.495 1.00 0.00 N ATOM 549 CA ALA A 38 -1.171 -4.326 -0.616 1.00 0.00 C ATOM 550 C ALA A 38 -2.241 -3.241 -0.689 1.00 0.00 C ATOM 551 O ALA A 38 -2.406 -2.587 -1.719 1.00 0.00 O ATOM 552 CB ALA A 38 0.191 -3.750 -0.974 1.00 0.00 C ATOM 0 H ALA A 38 -2.023 -5.183 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.139 -4.700 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.420 -2.917 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.953 -4.522 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.178 -3.398 -2.006 1.00 0.00 H new ATOM 558 N GLY A 39 -2.965 -3.057 0.410 1.00 0.00 N ATOM 559 CA GLY A 39 -4.010 -2.051 0.449 1.00 0.00 C ATOM 560 C GLY A 39 -3.473 -0.669 0.763 1.00 0.00 C ATOM 561 O GLY A 39 -3.068 -0.395 1.893 1.00 0.00 O ATOM 0 H GLY A 39 -2.847 -3.586 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.524 -2.028 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.750 -2.329 1.200 1.00 0.00 H new ATOM 565 N ILE A 40 -3.470 0.205 -0.238 1.00 0.00 N ATOM 566 CA ILE A 40 -2.979 1.566 -0.063 1.00 0.00 C ATOM 567 C ILE A 40 -4.133 2.555 0.065 1.00 0.00 C ATOM 568 O ILE A 40 -5.254 2.273 -0.358 1.00 0.00 O ATOM 569 CB ILE A 40 -2.080 1.996 -1.239 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.027 0.922 -1.523 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.417 3.330 -0.938 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.365 1.069 -2.876 1.00 0.00 C ATOM 0 H ILE A 40 -3.802 -0.006 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.392 1.573 0.856 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.700 2.114 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.262 0.960 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.495 -0.060 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.785 3.620 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.183 4.090 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.807 3.238 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.370 0.275 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.120 1.001 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.133 2.037 -2.934 1.00 0.00 H new ATOM 584 N VAL A 41 -3.851 3.713 0.651 1.00 0.00 N ATOM 585 CA VAL A 41 -4.865 4.744 0.835 1.00 0.00 C ATOM 586 C VAL A 41 -4.463 6.039 0.138 1.00 0.00 C ATOM 587 O VAL A 41 -3.566 6.750 0.593 1.00 0.00 O ATOM 588 CB VAL A 41 -5.110 5.033 2.330 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.276 5.994 2.506 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.356 3.739 3.093 1.00 0.00 C ATOM 0 H VAL A 41 -2.928 3.961 1.007 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.786 4.365 0.391 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.216 5.504 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.433 6.185 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.054 6.932 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.178 5.554 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.527 3.964 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.232 3.236 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.486 3.089 2.997 1.00 0.00 H new ATOM 600 N LEU A 42 -5.132 6.342 -0.970 1.00 0.00 N ATOM 601 CA LEU A 42 -4.844 7.552 -1.731 1.00 0.00 C ATOM 602 C LEU A 42 -5.214 8.798 -0.933 1.00 0.00 C ATOM 603 O LEU A 42 -6.165 8.788 -0.151 1.00 0.00 O ATOM 604 CB LEU A 42 -5.604 7.537 -3.059 1.00 0.00 C ATOM 605 CG LEU A 42 -5.254 6.377 -3.992 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.193 6.352 -5.188 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.807 6.480 -4.450 1.00 0.00 C ATOM 0 H LEU A 42 -5.877 5.766 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.773 7.578 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.673 7.504 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.411 8.474 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.375 5.444 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.929 5.520 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.219 6.230 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.105 7.288 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.575 5.647 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.660 7.419 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.148 6.448 -3.583 1.00 0.00 H new ATOM 619 N ASP A 43 -4.455 9.870 -1.136 1.00 0.00 N ATOM 620 CA ASP A 43 -4.703 11.125 -0.436 1.00 0.00 C ATOM 621 C ASP A 43 -5.993 11.776 -0.924 1.00 0.00 C ATOM 622 O ASP A 43 -6.738 12.364 -0.140 1.00 0.00 O ATOM 623 CB ASP A 43 -3.528 12.084 -0.633 1.00 0.00 C ATOM 624 CG ASP A 43 -3.242 12.354 -2.097 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.583 11.509 -2.739 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.675 13.411 -2.602 1.00 0.00 O ATOM 0 H ASP A 43 -3.664 9.895 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.809 10.904 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.742 13.026 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.638 11.665 -0.163 1.00 0.00 H new ATOM 631 N GLU A 44 -6.250 11.666 -2.223 1.00 0.00 N ATOM 632 CA GLU A 44 -7.451 12.244 -2.816 1.00 0.00 C ATOM 633 C GLU A 44 -8.325 11.161 -3.444 1.00 0.00 C ATOM 634 O GLU A 44 -7.856 10.057 -3.720 1.00 0.00 O ATOM 635 CB GLU A 44 -7.072 13.285 -3.872 1.00 0.00 C ATOM 636 CG GLU A 44 -6.909 14.688 -3.312 1.00 0.00 C ATOM 637 CD GLU A 44 -8.154 15.534 -3.487 1.00 0.00 C ATOM 638 OE1 GLU A 44 -8.586 15.723 -4.644 1.00 0.00 O ATOM 639 OE2 GLU A 44 -8.698 16.008 -2.468 1.00 0.00 O ATOM 0 H GLU A 44 -5.643 11.182 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.020 12.729 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.140 12.983 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.838 13.299 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.663 14.626 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.070 15.177 -3.806 1.00 0.00 H new ATOM 646 N PRO A 45 -9.614 11.463 -3.677 1.00 0.00 N ATOM 647 CA PRO A 45 -10.553 10.509 -4.275 1.00 0.00 C ATOM 648 C PRO A 45 -10.253 10.245 -5.747 1.00 0.00 C ATOM 649 O PRO A 45 -11.063 10.551 -6.622 1.00 0.00 O ATOM 650 CB PRO A 45 -11.909 11.201 -4.119 1.00 0.00 C ATOM 651 CG PRO A 45 -11.589 12.654 -4.065 1.00 0.00 C ATOM 652 CD PRO A 45 -10.256 12.758 -3.377 1.00 0.00 C ATOM 0 HA PRO A 45 -10.502 9.531 -3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.569 10.972 -4.956 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.418 10.874 -3.213 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.546 13.082 -5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.355 13.202 -3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.671 13.595 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.369 12.912 -2.304 1.00 0.00 H new ATOM 660 N ILE A 46 -9.083 9.673 -6.012 1.00 0.00 N ATOM 661 CA ILE A 46 -8.675 9.367 -7.379 1.00 0.00 C ATOM 662 C ILE A 46 -8.428 7.873 -7.556 1.00 0.00 C ATOM 663 O ILE A 46 -7.592 7.462 -8.360 1.00 0.00 O ATOM 664 CB ILE A 46 -7.399 10.136 -7.771 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.256 9.799 -6.811 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.666 11.635 -7.781 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.924 10.379 -7.231 1.00 0.00 C ATOM 0 H ILE A 46 -8.401 9.412 -5.299 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.492 9.679 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.104 9.832 -8.775 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.507 10.168 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.164 8.716 -6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.755 12.165 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.452 11.860 -8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.982 11.955 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.161 10.100 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.651 9.990 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.999 11.465 -7.279 1.00 0.00 H new ATOM 679 N GLY A 47 -9.164 7.064 -6.800 1.00 0.00 N ATOM 680 CA GLY A 47 -9.012 5.623 -6.888 1.00 0.00 C ATOM 681 C GLY A 47 -10.196 4.955 -7.557 1.00 0.00 C ATOM 682 O GLY A 47 -10.957 5.602 -8.276 1.00 0.00 O ATOM 0 H GLY A 47 -9.863 7.381 -6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.105 5.390 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.885 5.212 -5.886 1.00 0.00 H new ATOM 686 N LYS A 48 -10.351 3.657 -7.321 1.00 0.00 N ATOM 687 CA LYS A 48 -11.452 2.899 -7.907 1.00 0.00 C ATOM 688 C LYS A 48 -12.321 2.275 -6.819 1.00 0.00 C ATOM 689 O LYS A 48 -13.550 2.301 -6.902 1.00 0.00 O ATOM 690 CB LYS A 48 -10.912 1.809 -8.833 1.00 0.00 C ATOM 691 CG LYS A 48 -10.450 2.331 -10.183 1.00 0.00 C ATOM 692 CD LYS A 48 -10.599 1.278 -11.269 1.00 0.00 C ATOM 693 CE LYS A 48 -10.284 1.847 -12.643 1.00 0.00 C ATOM 694 NZ LYS A 48 -10.052 0.774 -13.649 1.00 0.00 N ATOM 0 H LYS A 48 -9.729 3.107 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.066 3.587 -8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.078 1.307 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.688 1.059 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.029 3.215 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.407 2.641 -10.117 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.933 0.441 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.616 0.886 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.108 2.480 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.400 2.482 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.840 1.204 -14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.249 0.185 -13.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.904 0.183 -13.729 1.00 0.00 H new ATOM 708 N ASN A 49 -11.676 1.715 -5.801 1.00 0.00 N ATOM 709 CA ASN A 49 -12.391 1.085 -4.698 1.00 0.00 C ATOM 710 C ASN A 49 -12.497 2.032 -3.507 1.00 0.00 C ATOM 711 O ASN A 49 -12.055 3.179 -3.572 1.00 0.00 O ATOM 712 CB ASN A 49 -11.685 -0.205 -4.276 1.00 0.00 C ATOM 713 CG ASN A 49 -11.718 -1.264 -5.360 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.431 -1.128 -6.355 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.944 -2.327 -5.174 1.00 0.00 N ATOM 0 H ASN A 49 -10.660 1.685 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.398 0.846 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.649 0.018 -4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.158 -0.596 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.924 -3.072 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.369 -2.399 -4.335 1.00 0.00 H new ATOM 722 N ASP A 50 -13.087 1.545 -2.421 1.00 0.00 N ATOM 723 CA ASP A 50 -13.251 2.348 -1.215 1.00 0.00 C ATOM 724 C ASP A 50 -12.928 1.531 0.032 1.00 0.00 C ATOM 725 O ASP A 50 -13.507 1.750 1.096 1.00 0.00 O ATOM 726 CB ASP A 50 -14.679 2.890 -1.127 1.00 0.00 C ATOM 727 CG ASP A 50 -15.721 1.805 -1.314 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.878 1.323 -2.455 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.381 1.439 -0.319 1.00 0.00 O ATOM 0 H ASP A 50 -13.460 0.598 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.555 3.185 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.825 3.367 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.820 3.660 -1.885 1.00 0.00 H new ATOM 734 N GLY A 51 -12.001 0.589 -0.107 1.00 0.00 N ATOM 735 CA GLY A 51 -11.618 -0.246 1.015 1.00 0.00 C ATOM 736 C GLY A 51 -12.183 -1.649 0.914 1.00 0.00 C ATOM 737 O GLY A 51 -11.582 -2.605 1.405 1.00 0.00 O ATOM 0 H GLY A 51 -11.508 0.389 -0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.531 -0.299 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.962 0.215 1.941 1.00 0.00 H new ATOM 741 N SER A 52 -13.343 -1.774 0.276 1.00 0.00 N ATOM 742 CA SER A 52 -13.990 -3.069 0.113 1.00 0.00 C ATOM 743 C SER A 52 -14.003 -3.490 -1.353 1.00 0.00 C ATOM 744 O SER A 52 -14.053 -2.649 -2.251 1.00 0.00 O ATOM 745 CB SER A 52 -15.421 -3.021 0.653 1.00 0.00 C ATOM 746 OG SER A 52 -15.573 -1.978 1.601 1.00 0.00 O ATOM 0 H SER A 52 -13.853 -0.993 -0.136 1.00 0.00 H new ATOM 0 HA SER A 52 -13.420 -3.805 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.119 -2.873 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.671 -3.976 1.115 1.00 0.00 H new ATOM 0 HG SER A 52 -16.496 -1.967 1.930 1.00 0.00 H new ATOM 752 N VAL A 53 -13.958 -4.797 -1.590 1.00 0.00 N ATOM 753 CA VAL A 53 -13.964 -5.330 -2.946 1.00 0.00 C ATOM 754 C VAL A 53 -14.996 -6.442 -3.095 1.00 0.00 C ATOM 755 O VAL A 53 -14.825 -7.536 -2.556 1.00 0.00 O ATOM 756 CB VAL A 53 -12.579 -5.873 -3.344 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.551 -6.238 -4.820 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.493 -4.858 -3.017 1.00 0.00 C ATOM 0 H VAL A 53 -13.917 -5.507 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.225 -4.504 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.385 -6.777 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.564 -6.620 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.301 -7.003 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.768 -5.353 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.521 -5.259 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.681 -3.935 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.498 -4.652 -1.947 1.00 0.00 H new ATOM 768 N ALA A 54 -16.066 -6.155 -3.828 1.00 0.00 N ATOM 769 CA ALA A 54 -17.126 -7.133 -4.048 1.00 0.00 C ATOM 770 C ALA A 54 -17.761 -7.558 -2.729 1.00 0.00 C ATOM 771 O ALA A 54 -18.225 -8.690 -2.588 1.00 0.00 O ATOM 772 CB ALA A 54 -16.580 -8.345 -4.789 1.00 0.00 C ATOM 0 H ALA A 54 -16.223 -5.254 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.898 -6.666 -4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.382 -9.067 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.179 -8.032 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.788 -8.806 -4.199 1.00 0.00 H new ATOM 778 N GLY A 55 -17.779 -6.644 -1.765 1.00 0.00 N ATOM 779 CA GLY A 55 -18.361 -6.943 -0.470 1.00 0.00 C ATOM 780 C GLY A 55 -17.312 -7.260 0.579 1.00 0.00 C ATOM 781 O GLY A 55 -17.526 -7.030 1.769 1.00 0.00 O ATOM 0 H GLY A 55 -17.401 -5.701 -1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.957 -6.093 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.040 -7.790 -0.567 1.00 0.00 H new ATOM 785 N VAL A 56 -16.175 -7.787 0.136 1.00 0.00 N ATOM 786 CA VAL A 56 -15.090 -8.137 1.044 1.00 0.00 C ATOM 787 C VAL A 56 -14.374 -6.888 1.548 1.00 0.00 C ATOM 788 O VAL A 56 -13.745 -6.165 0.774 1.00 0.00 O ATOM 789 CB VAL A 56 -14.064 -9.064 0.366 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.027 -9.542 1.371 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.763 -10.246 -0.293 1.00 0.00 C ATOM 0 H VAL A 56 -15.982 -7.981 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.540 -8.662 1.886 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.549 -8.497 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.311 -10.196 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.503 -8.683 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.522 -10.091 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.021 -10.889 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.307 -10.814 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.461 -9.882 -1.046 1.00 0.00 H new ATOM 801 N ARG A 57 -14.472 -6.639 2.850 1.00 0.00 N ATOM 802 CA ARG A 57 -13.834 -5.477 3.457 1.00 0.00 C ATOM 803 C ARG A 57 -12.414 -5.810 3.906 1.00 0.00 C ATOM 804 O ARG A 57 -12.098 -6.964 4.194 1.00 0.00 O ATOM 805 CB ARG A 57 -14.654 -4.982 4.648 1.00 0.00 C ATOM 806 CG ARG A 57 -14.377 -3.533 5.019 1.00 0.00 C ATOM 807 CD ARG A 57 -15.623 -2.671 4.886 1.00 0.00 C ATOM 808 NE ARG A 57 -16.634 -3.013 5.882 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.592 -2.613 7.151 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.589 -1.856 7.582 1.00 0.00 N ATOM 811 NH2 ARG A 57 -17.553 -2.969 7.991 1.00 0.00 N ATOM 0 H ARG A 57 -14.987 -7.227 3.505 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.784 -4.688 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.714 -5.093 4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.445 -5.615 5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.008 -3.484 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.590 -3.137 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.350 -1.621 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.043 -2.792 3.887 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.420 -3.593 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.847 -1.579 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.561 -1.552 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.326 -3.550 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.520 -2.662 8.963 1.00 0.00 H new ATOM 825 N TYR A 58 -11.563 -4.791 3.962 1.00 0.00 N ATOM 826 CA TYR A 58 -10.176 -4.975 4.375 1.00 0.00 C ATOM 827 C TYR A 58 -9.725 -3.839 5.288 1.00 0.00 C ATOM 828 O TYR A 58 -9.165 -4.076 6.359 1.00 0.00 O ATOM 829 CB TYR A 58 -9.263 -5.053 3.151 1.00 0.00 C ATOM 830 CG TYR A 58 -9.457 -6.308 2.330 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.845 -7.501 2.692 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.252 -6.298 1.190 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.021 -8.649 1.944 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.433 -7.442 0.437 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.815 -8.614 0.817 1.00 0.00 C ATOM 836 OH TYR A 58 -9.993 -9.756 0.069 1.00 0.00 O ATOM 0 H TYR A 58 -11.809 -3.829 3.727 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.110 -5.911 4.929 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.442 -4.184 2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.225 -5.000 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.221 -7.532 3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.736 -5.381 0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.539 -9.569 2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.056 -7.418 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.581 -9.561 -0.691 1.00 0.00 H new ATOM 846 N PHE A 59 -9.975 -2.607 4.858 1.00 0.00 N ATOM 847 CA PHE A 59 -9.594 -1.435 5.637 1.00 0.00 C ATOM 848 C PHE A 59 -10.614 -0.314 5.464 1.00 0.00 C ATOM 849 O PHE A 59 -11.019 0.004 4.347 1.00 0.00 O ATOM 850 CB PHE A 59 -8.206 -0.946 5.217 1.00 0.00 C ATOM 851 CG PHE A 59 -8.092 -0.658 3.746 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.888 -1.686 2.840 1.00 0.00 C ATOM 853 CD2 PHE A 59 -8.190 0.640 3.272 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.783 -1.424 1.487 1.00 0.00 C ATOM 855 CE2 PHE A 59 -8.086 0.908 1.920 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.881 -0.126 1.026 1.00 0.00 C ATOM 0 H PHE A 59 -10.439 -2.394 3.975 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.568 -1.721 6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.963 -0.042 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.466 -1.698 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.810 -2.703 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.349 1.452 3.967 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.624 -2.234 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.165 1.924 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.798 0.081 -0.031 1.00 0.00 H new ATOM 866 N GLN A 60 -11.024 0.282 6.579 1.00 0.00 N ATOM 867 CA GLN A 60 -11.997 1.369 6.551 1.00 0.00 C ATOM 868 C GLN A 60 -11.355 2.662 6.060 1.00 0.00 C ATOM 869 O GLN A 60 -10.571 3.288 6.774 1.00 0.00 O ATOM 870 CB GLN A 60 -12.597 1.580 7.942 1.00 0.00 C ATOM 871 CG GLN A 60 -13.806 2.502 7.949 1.00 0.00 C ATOM 872 CD GLN A 60 -13.421 3.968 7.978 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.826 4.745 7.112 1.00 0.00 O ATOM 874 NE2 GLN A 60 -12.634 4.355 8.975 1.00 0.00 N ATOM 0 H GLN A 60 -10.698 0.031 7.512 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.792 1.094 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.885 0.613 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.832 1.992 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.412 2.307 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.426 2.276 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.322 3.678 9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.342 5.330 9.045 1.00 0.00 H new ATOM 883 N CYS A 61 -11.692 3.056 4.836 1.00 0.00 N ATOM 884 CA CYS A 61 -11.149 4.276 4.250 1.00 0.00 C ATOM 885 C CYS A 61 -12.256 5.115 3.617 1.00 0.00 C ATOM 886 O CYS A 61 -13.435 4.779 3.717 1.00 0.00 O ATOM 887 CB CYS A 61 -10.089 3.933 3.201 1.00 0.00 C ATOM 888 SG CYS A 61 -10.710 2.945 1.821 1.00 0.00 S ATOM 0 H CYS A 61 -12.338 2.549 4.231 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.687 4.859 5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.667 4.859 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.276 3.391 3.685 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.965 1.890 1.673 1.00 0.00 H new ATOM 894 N GLU A 62 -11.865 6.207 2.968 1.00 0.00 N ATOM 895 CA GLU A 62 -12.826 7.093 2.321 1.00 0.00 C ATOM 896 C GLU A 62 -13.103 6.643 0.887 1.00 0.00 C ATOM 897 O GLU A 62 -12.324 5.890 0.303 1.00 0.00 O ATOM 898 CB GLU A 62 -12.306 8.534 2.326 1.00 0.00 C ATOM 899 CG GLU A 62 -12.889 9.384 3.443 1.00 0.00 C ATOM 900 CD GLU A 62 -13.893 10.402 2.939 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.483 11.331 2.212 1.00 0.00 O ATOM 902 OE2 GLU A 62 -15.090 10.270 3.271 1.00 0.00 O ATOM 0 H GLU A 62 -10.892 6.499 2.876 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.759 7.049 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.220 8.520 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.537 8.999 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.371 8.735 4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.081 9.902 3.960 1.00 0.00 H new ATOM 909 N PRO A 63 -14.224 7.099 0.303 1.00 0.00 N ATOM 910 CA PRO A 63 -14.605 6.739 -1.067 1.00 0.00 C ATOM 911 C PRO A 63 -13.532 7.108 -2.085 1.00 0.00 C ATOM 912 O PRO A 63 -12.954 8.194 -2.027 1.00 0.00 O ATOM 913 CB PRO A 63 -15.874 7.557 -1.318 1.00 0.00 C ATOM 914 CG PRO A 63 -16.411 7.859 0.038 1.00 0.00 C ATOM 915 CD PRO A 63 -15.210 7.996 0.931 1.00 0.00 C ATOM 0 HA PRO A 63 -14.747 5.664 -1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.652 8.472 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.595 6.995 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.000 8.776 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.068 7.062 0.385 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.852 9.025 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.433 7.697 1.955 1.00 0.00 H new ATOM 923 N LEU A 64 -13.279 6.202 -3.023 1.00 0.00 N ATOM 924 CA LEU A 64 -12.284 6.433 -4.064 1.00 0.00 C ATOM 925 C LEU A 64 -10.917 6.756 -3.465 1.00 0.00 C ATOM 926 O LEU A 64 -10.093 7.416 -4.099 1.00 0.00 O ATOM 927 CB LEU A 64 -12.736 7.573 -4.977 1.00 0.00 C ATOM 928 CG LEU A 64 -14.148 7.424 -5.546 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.797 8.788 -5.727 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.110 6.670 -6.866 1.00 0.00 C ATOM 0 H LEU A 64 -13.750 5.299 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.189 5.517 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.682 8.508 -4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.033 7.655 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.748 6.851 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.801 8.662 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.856 9.294 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.200 9.387 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.122 6.572 -7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.495 7.218 -7.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.685 5.679 -6.707 1.00 0.00 H new ATOM 942 N LYS A 65 -10.678 6.285 -2.245 1.00 0.00 N ATOM 943 CA LYS A 65 -9.406 6.525 -1.571 1.00 0.00 C ATOM 944 C LYS A 65 -8.752 5.209 -1.162 1.00 0.00 C ATOM 945 O LYS A 65 -8.057 5.138 -0.150 1.00 0.00 O ATOM 946 CB LYS A 65 -9.612 7.410 -0.340 1.00 0.00 C ATOM 947 CG LYS A 65 -9.952 8.853 -0.678 1.00 0.00 C ATOM 948 CD LYS A 65 -9.144 9.829 0.162 1.00 0.00 C ATOM 949 CE LYS A 65 -9.932 11.096 0.457 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.200 12.003 1.383 1.00 0.00 N ATOM 0 H LYS A 65 -11.346 5.736 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.745 7.038 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.412 6.990 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.706 7.391 0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.759 9.035 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.016 9.025 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.856 9.352 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.223 10.086 -0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.139 11.620 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.895 10.831 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.740 12.884 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.084 11.537 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.264 12.223 0.986 1.00 0.00 H new ATOM 964 N GLY A 66 -8.982 4.170 -1.958 1.00 0.00 N ATOM 965 CA GLY A 66 -8.409 2.870 -1.665 1.00 0.00 C ATOM 966 C GLY A 66 -8.315 1.989 -2.895 1.00 0.00 C ATOM 967 O GLY A 66 -9.309 1.768 -3.586 1.00 0.00 O ATOM 0 H GLY A 66 -9.555 4.205 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.414 3.002 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.015 2.371 -0.909 1.00 0.00 H new ATOM 971 N ILE A 67 -7.116 1.485 -3.168 1.00 0.00 N ATOM 972 CA ILE A 67 -6.895 0.623 -4.323 1.00 0.00 C ATOM 973 C ILE A 67 -5.949 -0.523 -3.980 1.00 0.00 C ATOM 974 O ILE A 67 -5.174 -0.437 -3.027 1.00 0.00 O ATOM 975 CB ILE A 67 -6.321 1.417 -5.515 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.197 0.519 -6.747 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.972 2.021 -5.152 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.121 1.285 -8.049 1.00 0.00 C ATOM 0 H ILE A 67 -6.283 1.659 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.865 0.214 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.008 2.230 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.306 -0.100 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.052 -0.156 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.581 2.578 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.091 2.694 -4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.276 1.225 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.034 0.584 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.024 1.884 -8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.250 1.940 -8.035 1.00 0.00 H new ATOM 990 N PHE A 68 -6.018 -1.596 -4.760 1.00 0.00 N ATOM 991 CA PHE A 68 -5.168 -2.760 -4.540 1.00 0.00 C ATOM 992 C PHE A 68 -4.198 -2.954 -5.700 1.00 0.00 C ATOM 993 O PHE A 68 -4.613 -3.148 -6.842 1.00 0.00 O ATOM 994 CB PHE A 68 -6.024 -4.015 -4.357 1.00 0.00 C ATOM 995 CG PHE A 68 -6.889 -3.977 -3.130 1.00 0.00 C ATOM 996 CD1 PHE A 68 -6.408 -4.434 -1.914 1.00 0.00 C ATOM 997 CD2 PHE A 68 -8.182 -3.485 -3.193 1.00 0.00 C ATOM 998 CE1 PHE A 68 -7.201 -4.401 -0.783 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.980 -3.449 -2.065 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.489 -3.907 -0.859 1.00 0.00 C ATOM 0 H PHE A 68 -6.655 -1.684 -5.552 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.588 -2.589 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.658 -4.144 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.371 -4.886 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.402 -4.821 -1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.571 -3.125 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.815 -4.761 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.987 -3.063 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.111 -3.879 0.024 1.00 0.00 H new ATOM 1010 N THR A 69 -2.905 -2.902 -5.398 1.00 0.00 N ATOM 1011 CA THR A 69 -1.875 -3.072 -6.416 1.00 0.00 C ATOM 1012 C THR A 69 -0.735 -3.941 -5.895 1.00 0.00 C ATOM 1013 O THR A 69 -0.425 -3.926 -4.704 1.00 0.00 O ATOM 1014 CB THR A 69 -1.334 -1.711 -6.856 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.353 -1.863 -7.866 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.710 -0.921 -5.726 1.00 0.00 C ATOM 0 H THR A 69 -2.546 -2.744 -4.457 1.00 0.00 H new ATOM 0 HA THR A 69 -2.326 -3.570 -7.274 1.00 0.00 H new ATOM 0 HB THR A 69 -2.200 -1.163 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.021 -0.981 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.347 0.034 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.456 -0.743 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.123 -1.484 -5.305 1.00 0.00 H new ATOM 1024 N ARG A 70 -0.114 -4.696 -6.795 1.00 0.00 N ATOM 1025 CA ARG A 70 0.993 -5.572 -6.424 1.00 0.00 C ATOM 1026 C ARG A 70 2.177 -4.758 -5.901 1.00 0.00 C ATOM 1027 O ARG A 70 2.503 -3.705 -6.448 1.00 0.00 O ATOM 1028 CB ARG A 70 1.429 -6.412 -7.626 1.00 0.00 C ATOM 1029 CG ARG A 70 0.371 -7.398 -8.096 1.00 0.00 C ATOM 1030 CD ARG A 70 0.862 -8.834 -8.004 1.00 0.00 C ATOM 1031 NE ARG A 70 1.325 -9.339 -9.294 1.00 0.00 N ATOM 1032 CZ ARG A 70 1.532 -10.627 -9.554 1.00 0.00 C ATOM 1033 NH1 ARG A 70 1.320 -11.544 -8.618 1.00 0.00 N ATOM 1034 NH2 ARG A 70 1.954 -11.002 -10.755 1.00 0.00 N ATOM 0 H ARG A 70 -0.357 -4.720 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 70 0.651 -6.236 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.685 -5.746 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.335 -6.960 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.529 -7.282 -7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.095 -7.173 -9.126 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.674 -8.894 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.057 -9.469 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 70 1.500 -8.665 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.996 -11.263 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.481 -12.530 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.120 -10.303 -11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.113 -11.990 -10.954 1.00 0.00 H new ATOM 1048 N PRO A 71 2.840 -5.236 -4.832 1.00 0.00 N ATOM 1049 CA PRO A 71 3.991 -4.541 -4.246 1.00 0.00 C ATOM 1050 C PRO A 71 5.096 -4.296 -5.267 1.00 0.00 C ATOM 1051 O PRO A 71 5.780 -3.274 -5.226 1.00 0.00 O ATOM 1052 CB PRO A 71 4.479 -5.499 -3.155 1.00 0.00 C ATOM 1053 CG PRO A 71 3.302 -6.353 -2.835 1.00 0.00 C ATOM 1054 CD PRO A 71 2.525 -6.484 -4.114 1.00 0.00 C ATOM 0 HA PRO A 71 3.719 -3.554 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.319 -6.100 -3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.821 -4.954 -2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.617 -7.330 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.693 -5.900 -2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.830 -7.363 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.456 -6.581 -3.927 1.00 0.00 H new ATOM 1062 N SER A 72 5.266 -5.244 -6.182 1.00 0.00 N ATOM 1063 CA SER A 72 6.289 -5.135 -7.216 1.00 0.00 C ATOM 1064 C SER A 72 6.068 -3.896 -8.079 1.00 0.00 C ATOM 1065 O SER A 72 7.011 -3.356 -8.658 1.00 0.00 O ATOM 1066 CB SER A 72 6.291 -6.388 -8.094 1.00 0.00 C ATOM 1067 OG SER A 72 7.588 -6.654 -8.601 1.00 0.00 O ATOM 0 H SER A 72 4.709 -6.097 -6.229 1.00 0.00 H new ATOM 0 HA SER A 72 7.257 -5.041 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.941 -7.242 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.594 -6.257 -8.921 1.00 0.00 H new ATOM 0 HG SER A 72 7.563 -7.460 -9.157 1.00 0.00 H new ATOM 1073 N LYS A 73 4.817 -3.451 -8.164 1.00 0.00 N ATOM 1074 CA LYS A 73 4.477 -2.278 -8.961 1.00 0.00 C ATOM 1075 C LYS A 73 4.376 -1.032 -8.086 1.00 0.00 C ATOM 1076 O LYS A 73 3.612 -0.113 -8.385 1.00 0.00 O ATOM 1077 CB LYS A 73 3.157 -2.504 -9.701 1.00 0.00 C ATOM 1078 CG LYS A 73 3.155 -3.748 -10.574 1.00 0.00 C ATOM 1079 CD LYS A 73 4.061 -3.582 -11.783 1.00 0.00 C ATOM 1080 CE LYS A 73 3.740 -4.599 -12.865 1.00 0.00 C ATOM 1081 NZ LYS A 73 2.339 -4.467 -13.354 1.00 0.00 N ATOM 0 H LYS A 73 4.024 -3.885 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 73 5.273 -2.123 -9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.350 -2.580 -8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.945 -1.634 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.483 -4.606 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.138 -3.959 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.951 -2.575 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.101 -3.691 -11.477 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.429 -4.471 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.895 -5.605 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.276 -4.825 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.704 -5.017 -12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.057 -3.466 -13.334 1.00 0.00 H new ATOM 1095 N LEU A 74 5.150 -1.005 -7.006 1.00 0.00 N ATOM 1096 CA LEU A 74 5.147 0.131 -6.090 1.00 0.00 C ATOM 1097 C LEU A 74 6.519 0.797 -6.045 1.00 0.00 C ATOM 1098 O LEU A 74 7.547 0.132 -6.183 1.00 0.00 O ATOM 1099 CB LEU A 74 4.739 -0.319 -4.686 1.00 0.00 C ATOM 1100 CG LEU A 74 3.239 -0.549 -4.490 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.975 -1.246 -3.165 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.485 0.770 -4.560 1.00 0.00 C ATOM 0 H LEU A 74 5.788 -1.757 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 74 4.422 0.858 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.267 -1.243 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.073 0.431 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 74 2.881 -1.193 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.903 -1.401 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.485 -2.209 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.348 -0.628 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.420 0.588 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.846 1.437 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.648 1.231 -5.534 1.00 0.00 H new ATOM 1114 N THR A 75 6.529 2.111 -5.854 1.00 0.00 N ATOM 1115 CA THR A 75 7.775 2.866 -5.792 1.00 0.00 C ATOM 1116 C THR A 75 7.909 3.588 -4.455 1.00 0.00 C ATOM 1117 O THR A 75 6.913 3.975 -3.844 1.00 0.00 O ATOM 1118 CB THR A 75 7.840 3.878 -6.938 1.00 0.00 C ATOM 1119 OG1 THR A 75 6.822 4.853 -6.805 1.00 0.00 O ATOM 1120 CG2 THR A 75 7.693 3.243 -8.304 1.00 0.00 C ATOM 0 H THR A 75 5.688 2.676 -5.739 1.00 0.00 H new ATOM 0 HA THR A 75 8.601 2.162 -5.889 1.00 0.00 H new ATOM 0 HB THR A 75 8.829 4.330 -6.869 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.946 4.413 -6.800 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.748 4.015 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 8.495 2.521 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.730 2.736 -8.368 1.00 0.00 H new ATOM 1128 N ARG A 76 9.148 3.767 -4.007 1.00 0.00 N ATOM 1129 CA ARG A 76 9.412 4.443 -2.742 1.00 0.00 C ATOM 1130 C ARG A 76 9.624 5.938 -2.959 1.00 0.00 C ATOM 1131 O ARG A 76 10.756 6.405 -3.077 1.00 0.00 O ATOM 1132 CB ARG A 76 10.642 3.836 -2.063 1.00 0.00 C ATOM 1133 CG ARG A 76 10.321 2.634 -1.188 1.00 0.00 C ATOM 1134 CD ARG A 76 11.560 2.117 -0.474 1.00 0.00 C ATOM 1135 NE ARG A 76 11.264 1.686 0.890 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.191 1.507 1.829 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.471 1.719 1.556 1.00 0.00 N ATOM 1138 NH2 ARG A 76 11.834 1.114 3.044 1.00 0.00 N ATOM 0 H ARG A 76 9.984 3.454 -4.501 1.00 0.00 H new ATOM 0 HA ARG A 76 8.544 4.306 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.359 3.537 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.125 4.600 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.565 2.909 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.895 1.840 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.980 1.282 -1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.318 2.900 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 76 10.290 1.512 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.750 2.021 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.177 1.580 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.850 0.949 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.543 0.976 3.764 1.00 0.00 H new ATOM 1152 N LYS A 77 8.524 6.685 -3.011 1.00 0.00 N ATOM 1153 CA LYS A 77 8.587 8.128 -3.214 1.00 0.00 C ATOM 1154 C LYS A 77 9.202 8.460 -4.570 1.00 0.00 C ATOM 1155 O LYS A 77 10.064 7.735 -5.065 1.00 0.00 O ATOM 1156 CB LYS A 77 9.395 8.788 -2.093 1.00 0.00 C ATOM 1157 CG LYS A 77 8.532 9.440 -1.025 1.00 0.00 C ATOM 1158 CD LYS A 77 9.154 9.301 0.356 1.00 0.00 C ATOM 1159 CE LYS A 77 8.441 8.244 1.184 1.00 0.00 C ATOM 1160 NZ LYS A 77 8.591 8.490 2.646 1.00 0.00 N ATOM 0 H LYS A 77 7.579 6.314 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 77 7.570 8.519 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.032 8.038 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.054 9.541 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.397 10.496 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.542 8.984 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.207 9.038 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.112 10.259 0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.382 8.232 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.840 7.260 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.091 7.748 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.600 8.476 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.187 9.418 2.885 1.00 0.00 H new