USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -0.279 X(o=0.65,f=1) USER MOD Set 1.2: A 85 SER OG : rot 76:sc= 0.933 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -127:sc= 1.59 (180deg=0.577) USER MOD Set 2.2: A 27 TYR OH : rot 12:sc= 0.558 USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.913 USER MOD Single : A 13 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.5) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.677 (180deg=-1.39) USER MOD Single : A 20 SER OG : rot 31:sc= 0.00896 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.575 K(o=-0.58,f=-2.9!) USER MOD Single : A 26 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.332 X(o=-0.33,f=-0.81) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= -0.667 (180deg=-2.39!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0082 X(o=-0.0082,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.727 K(o=-0.73,f=-0.069) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 40:sc= -0.531 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 165:sc=-0.00969 (180deg=-0.155) USER MOD Single : A 105 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 106 GLN : amide:sc= -0.187 K(o=-0.19,f=-3.2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0314 K(o=-0.031,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.799 -11.631 8.215 1.00 0.00 N ATOM 105 CA THR A 11 -10.571 -10.277 7.725 1.00 0.00 C ATOM 106 C THR A 11 -9.701 -9.482 8.692 1.00 0.00 C ATOM 107 O THR A 11 -10.170 -9.030 9.737 1.00 0.00 O ATOM 108 CB THR A 11 -11.898 -9.527 7.510 1.00 0.00 C ATOM 109 OG1 THR A 11 -12.624 -9.451 8.742 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.748 -10.221 6.457 1.00 0.00 C ATOM 0 HA THR A 11 -10.056 -10.369 6.769 1.00 0.00 H new ATOM 0 HB THR A 11 -11.667 -8.520 7.162 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.001 -9.282 9.479 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.680 -9.673 6.323 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.205 -10.250 5.512 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.969 -11.238 6.780 1.00 0.00 H new ATOM 118 N PHE A 12 -8.431 -9.314 8.337 1.00 0.00 N ATOM 119 CA PHE A 12 -7.496 -8.572 9.174 1.00 0.00 C ATOM 120 C PHE A 12 -7.914 -7.110 9.294 1.00 0.00 C ATOM 121 O PHE A 12 -8.835 -6.659 8.614 1.00 0.00 O ATOM 122 CB PHE A 12 -6.081 -8.663 8.599 1.00 0.00 C ATOM 123 CG PHE A 12 -5.480 -10.036 8.701 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.882 -11.048 7.844 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.512 -10.314 9.652 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.331 -12.312 7.936 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.957 -11.576 9.749 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.367 -12.576 8.889 1.00 0.00 C ATOM 0 H PHE A 12 -8.026 -9.682 7.476 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.507 -9.017 10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.103 -8.361 7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.439 -7.954 9.122 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.634 -10.847 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.187 -9.535 10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.654 -13.093 7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.204 -11.780 10.496 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.934 -13.563 8.962 1.00 0.00 H new ATOM 138 N ASN A 13 -7.231 -6.374 10.166 1.00 0.00 N ATOM 139 CA ASN A 13 -7.532 -4.963 10.377 1.00 0.00 C ATOM 140 C ASN A 13 -6.451 -4.078 9.765 1.00 0.00 C ATOM 141 O ASN A 13 -5.525 -3.630 10.441 1.00 0.00 O ATOM 142 CB ASN A 13 -7.664 -4.666 11.872 1.00 0.00 C ATOM 143 CG ASN A 13 -6.433 -5.081 12.654 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.216 -6.266 12.909 1.00 0.00 O ATOM 145 ND2 ASN A 13 -5.620 -4.104 13.039 1.00 0.00 N ATOM 0 H ASN A 13 -6.466 -6.732 10.737 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.479 -4.742 9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.839 -3.600 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.536 -5.187 12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.776 -4.322 13.568 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.840 -3.136 12.805 1.00 0.00 H new ATOM 152 N PRO A 14 -6.569 -3.821 8.454 1.00 0.00 N ATOM 153 CA PRO A 14 -5.611 -2.987 7.721 1.00 0.00 C ATOM 154 C PRO A 14 -5.700 -1.517 8.118 1.00 0.00 C ATOM 155 O PRO A 14 -6.728 -1.061 8.618 1.00 0.00 O ATOM 156 CB PRO A 14 -6.025 -3.172 6.259 1.00 0.00 C ATOM 157 CG PRO A 14 -7.469 -3.534 6.317 1.00 0.00 C ATOM 158 CD PRO A 14 -7.647 -4.323 7.585 1.00 0.00 C ATOM 0 HA PRO A 14 -4.580 -3.275 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.869 -2.259 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.439 -3.955 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.095 -2.642 6.321 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.759 -4.123 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.629 -4.157 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.554 -5.394 7.408 1.00 0.00 H new ATOM 166 N ARG A 15 -4.616 -0.782 7.891 1.00 0.00 N ATOM 167 CA ARG A 15 -4.572 0.637 8.226 1.00 0.00 C ATOM 168 C ARG A 15 -4.711 1.496 6.973 1.00 0.00 C ATOM 169 O ARG A 15 -4.036 1.262 5.971 1.00 0.00 O ATOM 170 CB ARG A 15 -3.264 0.972 8.945 1.00 0.00 C ATOM 171 CG ARG A 15 -3.292 0.670 10.434 1.00 0.00 C ATOM 172 CD ARG A 15 -1.897 0.400 10.975 1.00 0.00 C ATOM 173 NE ARG A 15 -1.243 1.622 11.436 1.00 0.00 N ATOM 174 CZ ARG A 15 -1.532 2.222 12.585 1.00 0.00 C ATOM 175 NH1 ARG A 15 -2.459 1.715 13.386 1.00 0.00 N ATOM 176 NH2 ARG A 15 -0.893 3.331 12.936 1.00 0.00 N ATOM 0 H ARG A 15 -3.757 -1.145 7.477 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.409 0.855 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.452 0.410 8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.041 2.029 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.734 1.511 10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.929 -0.195 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.959 -0.311 11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.290 -0.065 10.198 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.525 2.037 10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.952 0.862 13.120 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.679 2.178 14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.179 3.724 12.323 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.116 3.791 13.819 1.00 0.00 H new ATOM 190 N GLU A 16 -5.592 2.490 7.038 1.00 0.00 N ATOM 191 CA GLU A 16 -5.820 3.382 5.908 1.00 0.00 C ATOM 192 C GLU A 16 -5.051 4.689 6.082 1.00 0.00 C ATOM 193 O GLU A 16 -5.252 5.414 7.057 1.00 0.00 O ATOM 194 CB GLU A 16 -7.314 3.674 5.753 1.00 0.00 C ATOM 195 CG GLU A 16 -7.722 4.019 4.331 1.00 0.00 C ATOM 196 CD GLU A 16 -9.055 4.739 4.265 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.210 5.764 4.963 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.943 4.280 3.517 1.00 0.00 O ATOM 0 H GLU A 16 -6.159 2.697 7.861 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.459 2.885 5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.882 2.805 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.584 4.500 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.953 4.644 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.778 3.104 3.741 1.00 0.00 H new ATOM 205 N CYS A 17 -4.171 4.982 5.132 1.00 0.00 N ATOM 206 CA CYS A 17 -3.370 6.200 5.180 1.00 0.00 C ATOM 207 C CYS A 17 -3.708 7.120 4.011 1.00 0.00 C ATOM 208 O CYS A 17 -3.977 6.659 2.902 1.00 0.00 O ATOM 209 CB CYS A 17 -1.880 5.857 5.160 1.00 0.00 C ATOM 210 SG CYS A 17 -1.346 4.805 6.531 1.00 0.00 S ATOM 0 H CYS A 17 -3.994 4.393 4.319 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.603 6.722 6.108 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.646 5.357 4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.305 6.783 5.181 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.072 4.568 6.426 1.00 0.00 H new ATOM 216 N LYS A 18 -3.696 8.423 4.268 1.00 0.00 N ATOM 217 CA LYS A 18 -4.001 9.410 3.239 1.00 0.00 C ATOM 218 C LYS A 18 -2.876 10.431 3.113 1.00 0.00 C ATOM 219 O LYS A 18 -2.520 11.101 4.084 1.00 0.00 O ATOM 220 CB LYS A 18 -5.317 10.121 3.560 1.00 0.00 C ATOM 221 CG LYS A 18 -6.539 9.438 2.970 1.00 0.00 C ATOM 222 CD LYS A 18 -7.796 9.768 3.756 1.00 0.00 C ATOM 223 CE LYS A 18 -8.013 8.787 4.898 1.00 0.00 C ATOM 224 NZ LYS A 18 -7.093 9.051 6.039 1.00 0.00 N ATOM 0 H LYS A 18 -3.478 8.821 5.182 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.100 8.887 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.433 10.182 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.268 11.144 3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.665 9.749 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.386 8.359 2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.723 10.780 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.658 9.749 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.045 8.852 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.861 7.770 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.508 8.673 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.178 8.589 5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.949 10.076 6.139 1.00 0.00 H new ATOM 238 N LEU A 19 -2.320 10.547 1.912 1.00 0.00 N ATOM 239 CA LEU A 19 -1.235 11.489 1.659 1.00 0.00 C ATOM 240 C LEU A 19 -1.725 12.674 0.833 1.00 0.00 C ATOM 241 O LEU A 19 -2.608 12.532 -0.012 1.00 0.00 O ATOM 242 CB LEU A 19 -0.084 10.789 0.935 1.00 0.00 C ATOM 243 CG LEU A 19 0.986 10.158 1.827 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.592 8.740 2.210 1.00 0.00 C ATOM 245 CD2 LEU A 19 2.337 10.167 1.129 1.00 0.00 C ATOM 0 H LEU A 19 -2.602 10.001 1.098 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.879 11.862 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.503 10.010 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.399 11.513 0.279 1.00 0.00 H new ATOM 0 HG LEU A 19 1.067 10.750 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.365 8.306 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.354 8.759 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.482 8.137 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.085 9.714 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.271 9.599 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.624 11.194 0.906 1.00 0.00 H new ATOM 257 N SER A 20 -1.143 13.843 1.082 1.00 0.00 N ATOM 258 CA SER A 20 -1.521 15.054 0.362 1.00 0.00 C ATOM 259 C SER A 20 -0.287 15.862 -0.028 1.00 0.00 C ATOM 260 O SER A 20 0.631 16.042 0.773 1.00 0.00 O ATOM 261 CB SER A 20 -2.456 15.910 1.219 1.00 0.00 C ATOM 262 OG SER A 20 -1.829 16.294 2.430 1.00 0.00 O ATOM 0 H SER A 20 -0.408 13.977 1.777 1.00 0.00 H new ATOM 0 HA SER A 20 -2.042 14.759 -0.549 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.753 16.799 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.366 15.352 1.438 1.00 0.00 H new ATOM 0 HG SER A 20 -0.864 16.382 2.285 1.00 0.00 H new ATOM 268 N LYS A 21 -0.272 16.347 -1.265 1.00 0.00 N ATOM 269 CA LYS A 21 0.847 17.137 -1.764 1.00 0.00 C ATOM 270 C LYS A 21 0.361 18.240 -2.698 1.00 0.00 C ATOM 271 O LYS A 21 -0.777 18.211 -3.166 1.00 0.00 O ATOM 272 CB LYS A 21 1.847 16.238 -2.495 1.00 0.00 C ATOM 273 CG LYS A 21 1.389 15.822 -3.882 1.00 0.00 C ATOM 274 CD LYS A 21 2.550 15.321 -4.725 1.00 0.00 C ATOM 275 CE LYS A 21 2.176 15.243 -6.197 1.00 0.00 C ATOM 276 NZ LYS A 21 1.213 14.139 -6.467 1.00 0.00 N ATOM 0 H LYS A 21 -1.023 16.207 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 21 1.341 17.600 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.800 16.761 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.024 15.344 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.635 15.040 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.916 16.669 -4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.405 15.985 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.858 14.336 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.739 16.191 -6.511 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.076 15.094 -6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.583 13.534 -7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.085 13.571 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.298 14.540 -6.757 1.00 0.00 H new ATOM 290 N GLN A 22 1.230 19.208 -2.967 1.00 0.00 N ATOM 291 CA GLN A 22 0.888 20.319 -3.847 1.00 0.00 C ATOM 292 C GLN A 22 1.340 20.041 -5.277 1.00 0.00 C ATOM 293 O GLN A 22 2.254 19.250 -5.505 1.00 0.00 O ATOM 294 CB GLN A 22 1.527 21.614 -3.341 1.00 0.00 C ATOM 295 CG GLN A 22 0.783 22.244 -2.174 1.00 0.00 C ATOM 296 CD GLN A 22 1.119 23.711 -1.992 1.00 0.00 C ATOM 297 OE1 GLN A 22 0.755 24.550 -2.817 1.00 0.00 O ATOM 298 NE2 GLN A 22 1.816 24.029 -0.908 1.00 0.00 N ATOM 0 H GLN A 22 2.176 19.246 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.196 20.431 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.554 21.409 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.574 22.331 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.290 22.138 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.025 21.703 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.097 23.301 -0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.071 25.001 -0.732 1.00 0.00 H new ATOM 307 N GLU A 23 0.692 20.695 -6.235 1.00 0.00 N ATOM 308 CA GLU A 23 1.027 20.516 -7.643 1.00 0.00 C ATOM 309 C GLU A 23 2.494 20.848 -7.899 1.00 0.00 C ATOM 310 O GLU A 23 2.876 22.016 -7.963 1.00 0.00 O ATOM 311 CB GLU A 23 0.133 21.396 -8.519 1.00 0.00 C ATOM 312 CG GLU A 23 0.237 22.878 -8.200 1.00 0.00 C ATOM 313 CD GLU A 23 -1.023 23.642 -8.561 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.437 23.582 -9.737 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.594 24.299 -7.665 1.00 0.00 O ATOM 0 H GLU A 23 -0.068 21.353 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 23 0.859 19.470 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.396 21.239 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.903 21.079 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.442 23.004 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.083 23.304 -8.740 1.00 0.00 H new ATOM 322 N GLY A 24 3.313 19.811 -8.045 1.00 0.00 N ATOM 323 CA GLY A 24 4.729 20.013 -8.292 1.00 0.00 C ATOM 324 C GLY A 24 5.596 19.466 -7.175 1.00 0.00 C ATOM 325 O GLY A 24 6.666 18.913 -7.426 1.00 0.00 O ATOM 0 H GLY A 24 3.021 18.835 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.003 19.531 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.925 21.078 -8.412 1.00 0.00 H new ATOM 329 N GLN A 25 5.135 19.624 -5.938 1.00 0.00 N ATOM 330 CA GLN A 25 5.877 19.144 -4.779 1.00 0.00 C ATOM 331 C GLN A 25 5.927 17.619 -4.758 1.00 0.00 C ATOM 332 O GLN A 25 5.233 16.955 -5.527 1.00 0.00 O ATOM 333 CB GLN A 25 5.242 19.664 -3.489 1.00 0.00 C ATOM 334 CG GLN A 25 5.762 21.026 -3.060 1.00 0.00 C ATOM 335 CD GLN A 25 5.328 22.137 -3.995 1.00 0.00 C ATOM 336 OE1 GLN A 25 4.295 22.773 -3.784 1.00 0.00 O ATOM 337 NE2 GLN A 25 6.117 22.377 -5.036 1.00 0.00 N ATOM 0 H GLN A 25 4.251 20.081 -5.713 1.00 0.00 H new ATOM 0 HA GLN A 25 6.897 19.521 -4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.162 19.723 -3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.425 18.946 -2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.408 21.245 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.851 20.998 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.964 21.825 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.876 23.113 -5.699 1.00 0.00 H new ATOM 346 N ASN A 26 6.752 17.072 -3.871 1.00 0.00 N ATOM 347 CA ASN A 26 6.892 15.625 -3.750 1.00 0.00 C ATOM 348 C ASN A 26 6.077 15.096 -2.574 1.00 0.00 C ATOM 349 O ASN A 26 5.509 15.868 -1.801 1.00 0.00 O ATOM 350 CB ASN A 26 8.365 15.248 -3.575 1.00 0.00 C ATOM 351 CG ASN A 26 9.138 15.319 -4.878 1.00 0.00 C ATOM 352 OD1 ASN A 26 9.627 14.306 -5.379 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.252 16.520 -5.434 1.00 0.00 N ATOM 0 H ASN A 26 7.333 17.608 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 26 6.513 15.170 -4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.824 15.916 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.433 14.239 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.761 16.630 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.831 17.332 -4.984 1.00 0.00 H new ATOM 360 N TYR A 27 6.025 13.775 -2.444 1.00 0.00 N ATOM 361 CA TYR A 27 5.279 13.142 -1.363 1.00 0.00 C ATOM 362 C TYR A 27 6.200 12.784 -0.201 1.00 0.00 C ATOM 363 O TYR A 27 5.780 12.758 0.954 1.00 0.00 O ATOM 364 CB TYR A 27 4.570 11.886 -1.872 1.00 0.00 C ATOM 365 CG TYR A 27 3.195 12.155 -2.441 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.228 12.815 -1.692 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.863 11.751 -3.729 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.971 13.062 -2.208 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.609 11.995 -4.253 1.00 0.00 C ATOM 370 CZ TYR A 27 0.666 12.651 -3.489 1.00 0.00 C ATOM 371 OH TYR A 27 -0.585 12.896 -4.006 1.00 0.00 O ATOM 0 H TYR A 27 6.491 13.122 -3.074 1.00 0.00 H new ATOM 0 HA TYR A 27 4.534 13.853 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.186 11.417 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.482 11.172 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.464 13.140 -0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.599 11.237 -4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.231 13.574 -1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.368 11.674 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.062 13.525 -3.425 1.00 0.00 H new ATOM 381 N GLY A 28 7.462 12.508 -0.518 1.00 0.00 N ATOM 382 CA GLY A 28 8.425 12.156 0.509 1.00 0.00 C ATOM 383 C GLY A 28 8.701 10.666 0.557 1.00 0.00 C ATOM 384 O GLY A 28 9.804 10.243 0.903 1.00 0.00 O ATOM 0 H GLY A 28 7.834 12.522 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.358 12.690 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.054 12.485 1.479 1.00 0.00 H new ATOM 388 N PHE A 29 7.696 9.868 0.212 1.00 0.00 N ATOM 389 CA PHE A 29 7.835 8.416 0.220 1.00 0.00 C ATOM 390 C PHE A 29 7.863 7.865 -1.202 1.00 0.00 C ATOM 391 O PHE A 29 7.183 8.376 -2.092 1.00 0.00 O ATOM 392 CB PHE A 29 6.688 7.777 1.005 1.00 0.00 C ATOM 393 CG PHE A 29 5.490 7.455 0.159 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.676 8.465 -0.328 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.177 6.141 -0.149 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.573 8.171 -1.107 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.075 5.841 -0.928 1.00 0.00 C ATOM 398 CZ PHE A 29 3.272 6.857 -1.407 1.00 0.00 C ATOM 0 H PHE A 29 6.776 10.202 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 29 8.779 8.169 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.046 6.862 1.477 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.386 8.452 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.906 9.494 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.801 5.342 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.947 8.968 -1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.842 4.813 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.410 6.625 -2.015 1.00 0.00 H new ATOM 408 N PHE A 30 8.655 6.817 -1.409 1.00 0.00 N ATOM 409 CA PHE A 30 8.773 6.196 -2.723 1.00 0.00 C ATOM 410 C PHE A 30 8.588 4.684 -2.628 1.00 0.00 C ATOM 411 O PHE A 30 8.987 4.059 -1.645 1.00 0.00 O ATOM 412 CB PHE A 30 10.136 6.517 -3.341 1.00 0.00 C ATOM 413 CG PHE A 30 10.382 7.988 -3.520 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.654 8.717 -4.447 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.340 8.641 -2.762 1.00 0.00 C ATOM 416 CE1 PHE A 30 9.877 10.071 -4.614 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.568 9.994 -2.925 1.00 0.00 C ATOM 418 CZ PHE A 30 10.836 10.710 -3.853 1.00 0.00 C ATOM 0 H PHE A 30 9.224 6.381 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 30 7.988 6.601 -3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.920 6.100 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.212 6.024 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.904 8.222 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.915 8.086 -2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.302 10.628 -5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.318 10.492 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.014 11.767 -3.983 1.00 0.00 H new ATOM 428 N LEU A 31 7.980 4.104 -3.657 1.00 0.00 N ATOM 429 CA LEU A 31 7.741 2.665 -3.691 1.00 0.00 C ATOM 430 C LEU A 31 9.012 1.910 -4.069 1.00 0.00 C ATOM 431 O LEU A 31 9.400 1.875 -5.237 1.00 0.00 O ATOM 432 CB LEU A 31 6.625 2.337 -4.684 1.00 0.00 C ATOM 433 CG LEU A 31 5.265 2.975 -4.399 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.464 3.122 -5.684 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.492 2.152 -3.379 1.00 0.00 C ATOM 0 H LEU A 31 7.644 4.607 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 31 7.436 2.349 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.948 2.646 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.498 1.255 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 31 5.432 3.969 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.499 3.578 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.011 3.754 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.307 2.140 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.527 2.622 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.336 1.145 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.059 2.099 -2.450 1.00 0.00 H new ATOM 447 N ARG A 32 9.653 1.306 -3.075 1.00 0.00 N ATOM 448 CA ARG A 32 10.879 0.551 -3.304 1.00 0.00 C ATOM 449 C ARG A 32 10.634 -0.946 -3.140 1.00 0.00 C ATOM 450 O ARG A 32 10.024 -1.382 -2.163 1.00 0.00 O ATOM 451 CB ARG A 32 11.973 1.008 -2.337 1.00 0.00 C ATOM 452 CG ARG A 32 12.488 2.410 -2.619 1.00 0.00 C ATOM 453 CD ARG A 32 13.376 2.440 -3.853 1.00 0.00 C ATOM 454 NE ARG A 32 14.593 1.653 -3.670 1.00 0.00 N ATOM 455 CZ ARG A 32 15.448 1.384 -4.651 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.221 1.836 -5.876 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.534 0.662 -4.406 1.00 0.00 N ATOM 0 H ARG A 32 9.344 1.324 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 32 11.206 0.739 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.585 0.970 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.806 0.307 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.645 3.087 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.048 2.773 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.821 2.056 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.642 3.472 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 32 14.798 1.290 -2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.388 2.392 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.879 1.628 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.713 0.313 -3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.190 0.456 -5.159 1.00 0.00 H new ATOM 471 N ILE A 33 11.114 -1.728 -4.102 1.00 0.00 N ATOM 472 CA ILE A 33 10.947 -3.175 -4.063 1.00 0.00 C ATOM 473 C ILE A 33 12.177 -3.854 -3.470 1.00 0.00 C ATOM 474 O ILE A 33 13.310 -3.486 -3.778 1.00 0.00 O ATOM 475 CB ILE A 33 10.685 -3.749 -5.468 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.726 -3.225 -6.459 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.280 -3.395 -5.931 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.741 -3.975 -7.773 1.00 0.00 C ATOM 0 H ILE A 33 11.621 -1.383 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 33 10.083 -3.376 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 33 10.769 -4.835 -5.422 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.531 -2.170 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.714 -3.288 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.110 -3.808 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.552 -3.812 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.170 -2.311 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.503 -3.549 -8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.966 -5.026 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.765 -3.891 -8.251 1.00 0.00 H new ATOM 490 N GLU A 34 11.944 -4.849 -2.620 1.00 0.00 N ATOM 491 CA GLU A 34 13.034 -5.581 -1.984 1.00 0.00 C ATOM 492 C GLU A 34 13.340 -6.869 -2.744 1.00 0.00 C ATOM 493 O GLU A 34 12.559 -7.305 -3.590 1.00 0.00 O ATOM 494 CB GLU A 34 12.682 -5.904 -0.531 1.00 0.00 C ATOM 495 CG GLU A 34 12.800 -4.712 0.404 1.00 0.00 C ATOM 496 CD GLU A 34 12.888 -5.120 1.861 1.00 0.00 C ATOM 497 OE1 GLU A 34 12.342 -6.186 2.212 1.00 0.00 O ATOM 498 OE2 GLU A 34 13.504 -4.373 2.651 1.00 0.00 O ATOM 0 H GLU A 34 11.011 -5.167 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 34 13.922 -4.949 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.663 -6.288 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.337 -6.700 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.685 -4.133 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.938 -4.059 0.265 1.00 0.00 H new ATOM 505 N LYS A 35 14.482 -7.473 -2.435 1.00 0.00 N ATOM 506 CA LYS A 35 14.894 -8.711 -3.086 1.00 0.00 C ATOM 507 C LYS A 35 14.174 -9.911 -2.478 1.00 0.00 C ATOM 508 O LYS A 35 14.302 -10.184 -1.284 1.00 0.00 O ATOM 509 CB LYS A 35 16.408 -8.897 -2.965 1.00 0.00 C ATOM 510 CG LYS A 35 17.197 -8.167 -4.038 1.00 0.00 C ATOM 511 CD LYS A 35 17.197 -6.666 -3.807 1.00 0.00 C ATOM 512 CE LYS A 35 18.179 -5.960 -4.729 1.00 0.00 C ATOM 513 NZ LYS A 35 17.576 -5.660 -6.058 1.00 0.00 N ATOM 0 H LYS A 35 15.139 -7.125 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 35 14.626 -8.644 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.732 -8.546 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.640 -9.961 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.223 -8.534 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.770 -8.385 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.194 -6.272 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.456 -6.457 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.511 -5.032 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.063 -6.583 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.277 -5.179 -6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.282 -6.547 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.747 -5.044 -5.932 1.00 0.00 H new ATOM 527 N ASP A 36 13.419 -10.624 -3.306 1.00 0.00 N ATOM 528 CA ASP A 36 12.681 -11.796 -2.850 1.00 0.00 C ATOM 529 C ASP A 36 11.666 -11.416 -1.776 1.00 0.00 C ATOM 530 O ASP A 36 11.616 -12.028 -0.708 1.00 0.00 O ATOM 531 CB ASP A 36 13.644 -12.853 -2.307 1.00 0.00 C ATOM 532 CG ASP A 36 14.707 -13.241 -3.317 1.00 0.00 C ATOM 533 OD1 ASP A 36 14.357 -13.883 -4.330 1.00 0.00 O ATOM 534 OD2 ASP A 36 15.888 -12.902 -3.095 1.00 0.00 O ATOM 0 H ASP A 36 13.302 -10.411 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 36 12.143 -12.210 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.125 -12.473 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.080 -13.740 -2.018 1.00 0.00 H new ATOM 539 N THR A 37 10.858 -10.400 -2.065 1.00 0.00 N ATOM 540 CA THR A 37 9.847 -9.936 -1.124 1.00 0.00 C ATOM 541 C THR A 37 8.576 -9.509 -1.850 1.00 0.00 C ATOM 542 O THR A 37 8.634 -8.869 -2.900 1.00 0.00 O ATOM 543 CB THR A 37 10.364 -8.756 -0.281 1.00 0.00 C ATOM 544 OG1 THR A 37 11.669 -9.052 0.229 1.00 0.00 O ATOM 545 CG2 THR A 37 9.418 -8.460 0.874 1.00 0.00 C ATOM 0 H THR A 37 10.885 -9.883 -2.944 1.00 0.00 H new ATOM 0 HA THR A 37 9.621 -10.773 -0.463 1.00 0.00 H new ATOM 0 HB THR A 37 10.416 -7.876 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.991 -8.296 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.804 -7.623 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.433 -8.206 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.338 -9.339 1.513 1.00 0.00 H new ATOM 553 N ASP A 38 7.429 -9.867 -1.283 1.00 0.00 N ATOM 554 CA ASP A 38 6.142 -9.519 -1.876 1.00 0.00 C ATOM 555 C ASP A 38 5.598 -8.228 -1.273 1.00 0.00 C ATOM 556 O ASP A 38 5.942 -7.861 -0.150 1.00 0.00 O ATOM 557 CB ASP A 38 5.139 -10.655 -1.671 1.00 0.00 C ATOM 558 CG ASP A 38 5.520 -11.909 -2.433 1.00 0.00 C ATOM 559 OD1 ASP A 38 5.109 -12.038 -3.605 1.00 0.00 O ATOM 560 OD2 ASP A 38 6.227 -12.762 -1.858 1.00 0.00 O ATOM 0 H ASP A 38 7.364 -10.398 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 38 6.291 -9.365 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.069 -10.886 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.151 -10.325 -1.991 1.00 0.00 H new ATOM 565 N GLY A 39 4.746 -7.541 -2.029 1.00 0.00 N ATOM 566 CA GLY A 39 4.169 -6.297 -1.553 1.00 0.00 C ATOM 567 C GLY A 39 5.129 -5.131 -1.669 1.00 0.00 C ATOM 568 O GLY A 39 6.338 -5.292 -1.497 1.00 0.00 O ATOM 0 H GLY A 39 4.445 -7.824 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.266 -6.078 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.869 -6.414 -0.512 1.00 0.00 H new ATOM 572 N HIS A 40 4.592 -3.951 -1.963 1.00 0.00 N ATOM 573 CA HIS A 40 5.411 -2.752 -2.103 1.00 0.00 C ATOM 574 C HIS A 40 5.752 -2.164 -0.737 1.00 0.00 C ATOM 575 O HIS A 40 4.869 -1.715 -0.005 1.00 0.00 O ATOM 576 CB HIS A 40 4.684 -1.709 -2.953 1.00 0.00 C ATOM 577 CG HIS A 40 4.601 -2.071 -4.404 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.567 -1.723 -5.323 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.658 -2.757 -5.093 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.223 -2.176 -6.515 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.068 -2.808 -6.402 1.00 0.00 N ATOM 0 H HIS A 40 3.594 -3.799 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 40 6.340 -3.032 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.675 -1.573 -2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.196 -0.752 -2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.752 -3.184 -4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.789 -2.051 -7.426 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.563 -3.260 -7.164 1.00 0.00 H new ATOM 590 N LEU A 41 7.037 -2.170 -0.401 1.00 0.00 N ATOM 591 CA LEU A 41 7.495 -1.638 0.878 1.00 0.00 C ATOM 592 C LEU A 41 8.005 -0.209 0.722 1.00 0.00 C ATOM 593 O LEU A 41 8.841 0.071 -0.137 1.00 0.00 O ATOM 594 CB LEU A 41 8.599 -2.526 1.456 1.00 0.00 C ATOM 595 CG LEU A 41 8.279 -4.018 1.553 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.726 -4.743 0.293 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.938 -4.626 2.782 1.00 0.00 C ATOM 0 H LEU A 41 7.780 -2.537 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 41 6.648 -1.629 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.492 -2.406 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.845 -2.162 2.454 1.00 0.00 H new ATOM 0 HG LEU A 41 7.199 -4.133 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.490 -5.804 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.207 -4.326 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.801 -4.620 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.699 -5.688 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.019 -4.500 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.569 -4.126 3.678 1.00 0.00 H new ATOM 609 N ILE A 42 7.498 0.689 1.559 1.00 0.00 N ATOM 610 CA ILE A 42 7.905 2.088 1.516 1.00 0.00 C ATOM 611 C ILE A 42 9.297 2.274 2.111 1.00 0.00 C ATOM 612 O ILE A 42 9.615 1.713 3.160 1.00 0.00 O ATOM 613 CB ILE A 42 6.911 2.988 2.274 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.542 2.959 1.592 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.440 4.412 2.354 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.665 1.812 2.043 1.00 0.00 C ATOM 0 H ILE A 42 6.805 0.473 2.275 1.00 0.00 H new ATOM 0 HA ILE A 42 7.919 2.380 0.466 1.00 0.00 H new ATOM 0 HB ILE A 42 6.798 2.606 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.027 3.899 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.684 2.894 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.726 5.036 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.395 4.416 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.578 4.806 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.711 1.855 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.159 0.866 1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.492 1.887 3.117 1.00 0.00 H new ATOM 628 N ARG A 43 10.122 3.067 1.435 1.00 0.00 N ATOM 629 CA ARG A 43 11.480 3.328 1.897 1.00 0.00 C ATOM 630 C ARG A 43 11.901 4.758 1.568 1.00 0.00 C ATOM 631 O ARG A 43 11.286 5.420 0.732 1.00 0.00 O ATOM 632 CB ARG A 43 12.458 2.339 1.259 1.00 0.00 C ATOM 633 CG ARG A 43 13.667 2.032 2.127 1.00 0.00 C ATOM 634 CD ARG A 43 14.613 1.060 1.441 1.00 0.00 C ATOM 635 NE ARG A 43 15.980 1.180 1.942 1.00 0.00 N ATOM 636 CZ ARG A 43 16.389 0.659 3.093 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.542 -0.015 3.858 1.00 0.00 N ATOM 638 NH2 ARG A 43 17.649 0.811 3.481 1.00 0.00 N ATOM 0 H ARG A 43 9.874 3.540 0.566 1.00 0.00 H new ATOM 0 HA ARG A 43 11.499 3.201 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.932 1.409 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.799 2.742 0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.197 2.957 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.337 1.611 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.259 0.041 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.604 1.242 0.366 1.00 0.00 H new ATOM 0 HE ARG A 43 16.657 1.692 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.573 -0.135 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.859 -0.414 4.741 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.304 1.328 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.962 0.410 4.365 1.00 0.00 H new ATOM 652 N VAL A 44 12.952 5.227 2.232 1.00 0.00 N ATOM 653 CA VAL A 44 13.455 6.578 2.011 1.00 0.00 C ATOM 654 C VAL A 44 12.440 7.623 2.460 1.00 0.00 C ATOM 655 O VAL A 44 12.080 8.521 1.698 1.00 0.00 O ATOM 656 CB VAL A 44 13.796 6.813 0.528 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.558 8.119 0.356 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.595 5.644 -0.027 1.00 0.00 C ATOM 0 H VAL A 44 13.472 4.692 2.927 1.00 0.00 H new ATOM 0 HA VAL A 44 14.363 6.679 2.606 1.00 0.00 H new ATOM 0 HB VAL A 44 12.865 6.886 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.791 8.268 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.946 8.947 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.484 8.078 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.827 5.827 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.522 5.537 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.009 4.729 0.060 1.00 0.00 H new ATOM 668 N ILE A 45 11.983 7.500 3.702 1.00 0.00 N ATOM 669 CA ILE A 45 11.011 8.436 4.253 1.00 0.00 C ATOM 670 C ILE A 45 11.695 9.690 4.786 1.00 0.00 C ATOM 671 O ILE A 45 12.279 9.677 5.869 1.00 0.00 O ATOM 672 CB ILE A 45 10.190 7.792 5.386 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.412 6.584 4.859 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.242 8.812 5.999 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.912 5.664 5.950 1.00 0.00 C ATOM 0 H ILE A 45 12.270 6.762 4.345 1.00 0.00 H new ATOM 0 HA ILE A 45 10.340 8.710 3.439 1.00 0.00 H new ATOM 0 HB ILE A 45 10.875 7.449 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.562 6.936 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.052 6.017 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.669 8.342 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.817 9.644 6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.561 9.182 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.370 4.831 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.759 5.282 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.246 6.215 6.614 1.00 0.00 H new ATOM 687 N GLU A 46 11.617 10.772 4.018 1.00 0.00 N ATOM 688 CA GLU A 46 12.229 12.035 4.414 1.00 0.00 C ATOM 689 C GLU A 46 11.467 12.668 5.575 1.00 0.00 C ATOM 690 O GLU A 46 10.262 12.466 5.723 1.00 0.00 O ATOM 691 CB GLU A 46 12.270 13.001 3.229 1.00 0.00 C ATOM 692 CG GLU A 46 13.223 14.168 3.427 1.00 0.00 C ATOM 693 CD GLU A 46 14.679 13.745 3.383 1.00 0.00 C ATOM 694 OE1 GLU A 46 14.982 12.728 2.726 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.514 14.433 4.006 1.00 0.00 O ATOM 0 H GLU A 46 11.136 10.799 3.119 1.00 0.00 H new ATOM 0 HA GLU A 46 13.248 11.829 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.562 12.452 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.267 13.388 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.042 14.915 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.015 14.644 4.386 1.00 0.00 H new ATOM 702 N GLU A 47 12.179 13.434 6.395 1.00 0.00 N ATOM 703 CA GLU A 47 11.570 14.095 7.543 1.00 0.00 C ATOM 704 C GLU A 47 10.641 15.220 7.094 1.00 0.00 C ATOM 705 O GLU A 47 10.754 15.724 5.978 1.00 0.00 O ATOM 706 CB GLU A 47 12.651 14.652 8.472 1.00 0.00 C ATOM 707 CG GLU A 47 12.124 15.078 9.832 1.00 0.00 C ATOM 708 CD GLU A 47 11.568 13.917 10.633 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.164 12.821 10.582 1.00 0.00 O ATOM 710 OE2 GLU A 47 10.536 14.105 11.310 1.00 0.00 O ATOM 0 H GLU A 47 13.177 13.612 6.286 1.00 0.00 H new ATOM 0 HA GLU A 47 10.981 13.355 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.423 13.896 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.126 15.507 7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.927 15.552 10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.344 15.827 9.697 1.00 0.00 H new ATOM 717 N GLY A 48 9.722 15.608 7.973 1.00 0.00 N ATOM 718 CA GLY A 48 8.787 16.669 7.649 1.00 0.00 C ATOM 719 C GLY A 48 8.113 16.459 6.308 1.00 0.00 C ATOM 720 O GLY A 48 7.884 17.413 5.564 1.00 0.00 O ATOM 0 H GLY A 48 9.609 15.206 8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.027 16.730 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.314 17.623 7.642 1.00 0.00 H new ATOM 724 N SER A 49 7.797 15.206 5.996 1.00 0.00 N ATOM 725 CA SER A 49 7.150 14.873 4.733 1.00 0.00 C ATOM 726 C SER A 49 5.671 14.565 4.944 1.00 0.00 C ATOM 727 O SER A 49 5.249 14.124 6.014 1.00 0.00 O ATOM 728 CB SER A 49 7.844 13.675 4.081 1.00 0.00 C ATOM 729 OG SER A 49 7.286 12.454 4.533 1.00 0.00 O ATOM 0 H SER A 49 7.979 14.405 6.601 1.00 0.00 H new ATOM 0 HA SER A 49 7.232 15.736 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.750 13.742 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.909 13.699 4.311 1.00 0.00 H new ATOM 0 HG SER A 49 7.746 11.704 4.101 1.00 0.00 H new ATOM 735 N PRO A 50 4.863 14.801 3.900 1.00 0.00 N ATOM 736 CA PRO A 50 3.418 14.556 3.945 1.00 0.00 C ATOM 737 C PRO A 50 3.084 13.069 3.992 1.00 0.00 C ATOM 738 O PRO A 50 1.928 12.689 4.178 1.00 0.00 O ATOM 739 CB PRO A 50 2.912 15.177 2.640 1.00 0.00 C ATOM 740 CG PRO A 50 4.086 15.141 1.723 1.00 0.00 C ATOM 741 CD PRO A 50 5.298 15.326 2.594 1.00 0.00 C ATOM 0 HA PRO A 50 2.960 14.979 4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.074 14.613 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.563 16.198 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.133 14.194 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.020 15.930 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.158 14.779 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.590 16.374 2.659 1.00 0.00 H new ATOM 749 N ALA A 51 4.103 12.232 3.823 1.00 0.00 N ATOM 750 CA ALA A 51 3.916 10.787 3.849 1.00 0.00 C ATOM 751 C ALA A 51 3.975 10.251 5.275 1.00 0.00 C ATOM 752 O ALA A 51 3.211 9.361 5.645 1.00 0.00 O ATOM 753 CB ALA A 51 4.965 10.104 2.983 1.00 0.00 C ATOM 0 H ALA A 51 5.066 12.530 3.667 1.00 0.00 H new ATOM 0 HA ALA A 51 2.927 10.566 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.814 9.025 3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.874 10.456 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.959 10.341 3.361 1.00 0.00 H new ATOM 759 N GLU A 52 4.888 10.799 6.071 1.00 0.00 N ATOM 760 CA GLU A 52 5.047 10.374 7.457 1.00 0.00 C ATOM 761 C GLU A 52 3.927 10.935 8.329 1.00 0.00 C ATOM 762 O GLU A 52 3.490 10.294 9.285 1.00 0.00 O ATOM 763 CB GLU A 52 6.405 10.824 7.999 1.00 0.00 C ATOM 764 CG GLU A 52 6.836 10.082 9.253 1.00 0.00 C ATOM 765 CD GLU A 52 6.733 8.577 9.104 1.00 0.00 C ATOM 766 OE1 GLU A 52 7.467 8.013 8.265 1.00 0.00 O ATOM 767 OE2 GLU A 52 5.920 7.962 9.825 1.00 0.00 O ATOM 0 H GLU A 52 5.528 11.538 5.780 1.00 0.00 H new ATOM 0 HA GLU A 52 4.996 9.286 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.160 10.683 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.365 11.892 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.865 10.350 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.218 10.404 10.091 1.00 0.00 H new ATOM 774 N LYS A 53 3.469 12.135 7.994 1.00 0.00 N ATOM 775 CA LYS A 53 2.400 12.784 8.744 1.00 0.00 C ATOM 776 C LYS A 53 1.172 11.883 8.832 1.00 0.00 C ATOM 777 O LYS A 53 0.454 11.892 9.831 1.00 0.00 O ATOM 778 CB LYS A 53 2.023 14.115 8.089 1.00 0.00 C ATOM 779 CG LYS A 53 2.915 15.272 8.506 1.00 0.00 C ATOM 780 CD LYS A 53 2.318 16.609 8.102 1.00 0.00 C ATOM 781 CE LYS A 53 1.309 17.102 9.128 1.00 0.00 C ATOM 782 NZ LYS A 53 -0.036 16.499 8.919 1.00 0.00 N ATOM 0 H LYS A 53 3.822 12.679 7.207 1.00 0.00 H new ATOM 0 HA LYS A 53 2.763 12.974 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.070 14.003 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.990 14.355 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.061 15.249 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.898 15.158 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.114 17.345 7.990 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.833 16.514 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.663 16.861 10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.233 18.188 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.770 17.201 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.133 16.201 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.146 15.673 9.541 1.00 0.00 H new ATOM 796 N ALA A 54 0.939 11.105 7.780 1.00 0.00 N ATOM 797 CA ALA A 54 -0.200 10.196 7.740 1.00 0.00 C ATOM 798 C ALA A 54 0.052 8.963 8.602 1.00 0.00 C ATOM 799 O ALA A 54 -0.885 8.276 9.008 1.00 0.00 O ATOM 800 CB ALA A 54 -0.499 9.787 6.305 1.00 0.00 C ATOM 0 H ALA A 54 1.524 11.086 6.944 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.066 10.720 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.352 9.108 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.731 10.674 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.371 9.286 5.881 1.00 0.00 H new ATOM 806 N GLY A 55 1.323 8.688 8.877 1.00 0.00 N ATOM 807 CA GLY A 55 1.674 7.537 9.688 1.00 0.00 C ATOM 808 C GLY A 55 2.321 6.432 8.877 1.00 0.00 C ATOM 809 O GLY A 55 2.277 5.262 9.261 1.00 0.00 O ATOM 0 H GLY A 55 2.116 9.242 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.355 7.849 10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.777 7.151 10.172 1.00 0.00 H new ATOM 813 N LEU A 56 2.923 6.801 7.752 1.00 0.00 N ATOM 814 CA LEU A 56 3.580 5.831 6.883 1.00 0.00 C ATOM 815 C LEU A 56 4.982 5.507 7.390 1.00 0.00 C ATOM 816 O LEU A 56 5.860 6.371 7.415 1.00 0.00 O ATOM 817 CB LEU A 56 3.655 6.367 5.452 1.00 0.00 C ATOM 818 CG LEU A 56 3.757 5.316 4.346 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.479 4.494 4.271 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.046 5.978 3.006 1.00 0.00 C ATOM 0 H LEU A 56 2.970 7.764 7.420 1.00 0.00 H new ATOM 0 HA LEU A 56 2.989 4.915 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.770 6.976 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.518 7.028 5.378 1.00 0.00 H new ATOM 0 HG LEU A 56 4.583 4.646 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.570 3.751 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.314 3.990 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.636 5.151 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.115 5.215 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.241 6.672 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.989 6.522 3.065 1.00 0.00 H new ATOM 832 N LEU A 57 5.186 4.258 7.793 1.00 0.00 N ATOM 833 CA LEU A 57 6.482 3.819 8.298 1.00 0.00 C ATOM 834 C LEU A 57 7.242 3.031 7.236 1.00 0.00 C ATOM 835 O LEU A 57 6.679 2.653 6.208 1.00 0.00 O ATOM 836 CB LEU A 57 6.299 2.962 9.552 1.00 0.00 C ATOM 837 CG LEU A 57 4.991 2.175 9.643 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.103 1.071 10.682 1.00 0.00 C ATOM 839 CD2 LEU A 57 3.832 3.105 9.972 1.00 0.00 C ATOM 0 H LEU A 57 4.470 3.531 7.780 1.00 0.00 H new ATOM 0 HA LEU A 57 7.064 4.705 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.128 2.257 9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.371 3.611 10.425 1.00 0.00 H new ATOM 0 HG LEU A 57 4.798 1.714 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.163 0.522 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.907 0.389 10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.320 1.509 11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.909 2.529 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.018 3.594 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.738 3.859 9.191 1.00 0.00 H new ATOM 851 N ASP A 58 8.522 2.784 7.493 1.00 0.00 N ATOM 852 CA ASP A 58 9.358 2.037 6.561 1.00 0.00 C ATOM 853 C ASP A 58 9.149 0.535 6.726 1.00 0.00 C ATOM 854 O ASP A 58 9.453 -0.032 7.775 1.00 0.00 O ATOM 855 CB ASP A 58 10.832 2.386 6.773 1.00 0.00 C ATOM 856 CG ASP A 58 11.686 2.052 5.565 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.363 1.071 4.864 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.678 2.771 5.322 1.00 0.00 O ATOM 0 H ASP A 58 9.003 3.090 8.339 1.00 0.00 H new ATOM 0 HA ASP A 58 9.068 2.316 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.922 3.449 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.209 1.846 7.641 1.00 0.00 H new ATOM 863 N GLY A 59 8.628 -0.103 5.683 1.00 0.00 N ATOM 864 CA GLY A 59 8.386 -1.533 5.734 1.00 0.00 C ATOM 865 C GLY A 59 6.914 -1.877 5.623 1.00 0.00 C ATOM 866 O GLY A 59 6.509 -3.004 5.909 1.00 0.00 O ATOM 0 H GLY A 59 8.369 0.345 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.931 -2.020 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.779 -1.932 6.669 1.00 0.00 H new ATOM 870 N ASP A 60 6.111 -0.903 5.208 1.00 0.00 N ATOM 871 CA ASP A 60 4.674 -1.108 5.061 1.00 0.00 C ATOM 872 C ASP A 60 4.336 -1.594 3.655 1.00 0.00 C ATOM 873 O ASP A 60 4.837 -1.060 2.666 1.00 0.00 O ATOM 874 CB ASP A 60 3.920 0.188 5.361 1.00 0.00 C ATOM 875 CG ASP A 60 3.660 0.377 6.843 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.361 -0.263 7.654 1.00 0.00 O ATOM 877 OD2 ASP A 60 2.754 1.163 7.191 1.00 0.00 O ATOM 0 H ASP A 60 6.430 0.035 4.968 1.00 0.00 H new ATOM 0 HA ASP A 60 4.365 -1.872 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.495 1.035 4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.970 0.185 4.826 1.00 0.00 H new ATOM 882 N ARG A 61 3.484 -2.611 3.576 1.00 0.00 N ATOM 883 CA ARG A 61 3.081 -3.171 2.291 1.00 0.00 C ATOM 884 C ARG A 61 1.687 -2.688 1.902 1.00 0.00 C ATOM 885 O ARG A 61 0.714 -2.920 2.620 1.00 0.00 O ATOM 886 CB ARG A 61 3.106 -4.699 2.347 1.00 0.00 C ATOM 887 CG ARG A 61 4.498 -5.292 2.200 1.00 0.00 C ATOM 888 CD ARG A 61 5.308 -5.133 3.476 1.00 0.00 C ATOM 889 NE ARG A 61 5.144 -6.273 4.374 1.00 0.00 N ATOM 890 CZ ARG A 61 5.786 -7.427 4.223 1.00 0.00 C ATOM 891 NH1 ARG A 61 6.631 -7.591 3.214 1.00 0.00 N ATOM 892 NH2 ARG A 61 5.583 -8.418 5.081 1.00 0.00 N ATOM 0 H ARG A 61 3.060 -3.064 4.386 1.00 0.00 H new ATOM 0 HA ARG A 61 3.789 -2.830 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.679 -5.026 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.467 -5.093 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.419 -6.349 1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.017 -4.804 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.362 -5.019 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.002 -4.221 3.988 1.00 0.00 H new ATOM 0 HE ARG A 61 4.501 -6.178 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.789 -6.831 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.123 -8.477 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.934 -8.295 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.076 -9.303 4.964 1.00 0.00 H new ATOM 906 N VAL A 62 1.597 -2.014 0.759 1.00 0.00 N ATOM 907 CA VAL A 62 0.323 -1.499 0.273 1.00 0.00 C ATOM 908 C VAL A 62 -0.486 -2.593 -0.415 1.00 0.00 C ATOM 909 O VAL A 62 0.033 -3.328 -1.256 1.00 0.00 O ATOM 910 CB VAL A 62 0.528 -0.332 -0.711 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.710 -0.607 -1.627 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.738 -0.088 -1.518 1.00 0.00 C ATOM 0 H VAL A 62 2.392 -1.812 0.153 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.225 -1.139 1.143 1.00 0.00 H new ATOM 0 HB VAL A 62 0.746 0.570 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.839 0.228 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.613 -0.728 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.526 -1.519 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.576 0.740 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.989 -0.987 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.558 0.158 -0.843 1.00 0.00 H new ATOM 922 N LEU A 63 -1.760 -2.696 -0.052 1.00 0.00 N ATOM 923 CA LEU A 63 -2.643 -3.701 -0.635 1.00 0.00 C ATOM 924 C LEU A 63 -3.352 -3.152 -1.869 1.00 0.00 C ATOM 925 O LEU A 63 -3.348 -3.778 -2.929 1.00 0.00 O ATOM 926 CB LEU A 63 -3.673 -4.163 0.397 1.00 0.00 C ATOM 927 CG LEU A 63 -3.113 -4.854 1.641 1.00 0.00 C ATOM 928 CD1 LEU A 63 -4.032 -4.634 2.832 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.919 -6.341 1.383 1.00 0.00 C ATOM 0 H LEU A 63 -2.205 -2.096 0.643 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.034 -4.553 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.251 -3.296 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.367 -4.846 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.142 -4.416 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.618 -5.133 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.121 -3.566 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.017 -5.045 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.520 -6.817 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.877 -6.794 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.221 -6.479 0.557 1.00 0.00 H new ATOM 941 N ARG A 64 -3.959 -1.979 -1.723 1.00 0.00 N ATOM 942 CA ARG A 64 -4.672 -1.346 -2.826 1.00 0.00 C ATOM 943 C ARG A 64 -4.238 0.108 -2.990 1.00 0.00 C ATOM 944 O ARG A 64 -4.044 0.823 -2.007 1.00 0.00 O ATOM 945 CB ARG A 64 -6.182 -1.415 -2.592 1.00 0.00 C ATOM 946 CG ARG A 64 -6.759 -2.812 -2.749 1.00 0.00 C ATOM 947 CD ARG A 64 -8.162 -2.904 -2.170 1.00 0.00 C ATOM 948 NE ARG A 64 -8.484 -4.257 -1.725 1.00 0.00 N ATOM 949 CZ ARG A 64 -7.848 -4.876 -0.736 1.00 0.00 C ATOM 950 NH1 ARG A 64 -6.863 -4.266 -0.092 1.00 0.00 N ATOM 951 NH2 ARG A 64 -8.199 -6.109 -0.390 1.00 0.00 N ATOM 0 H ARG A 64 -3.971 -1.448 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.428 -1.886 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.403 -1.050 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.681 -0.744 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.782 -3.081 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.111 -3.533 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.253 -2.215 -1.330 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.885 -2.588 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.238 -4.754 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.591 -3.319 -0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.377 -4.744 0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.957 -6.581 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.711 -6.584 0.369 1.00 0.00 H new ATOM 965 N ILE A 65 -4.088 0.538 -4.239 1.00 0.00 N ATOM 966 CA ILE A 65 -3.678 1.906 -4.531 1.00 0.00 C ATOM 967 C ILE A 65 -4.838 2.718 -5.097 1.00 0.00 C ATOM 968 O ILE A 65 -5.480 2.312 -6.064 1.00 0.00 O ATOM 969 CB ILE A 65 -2.506 1.940 -5.530 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.622 3.162 -5.270 1.00 0.00 C ATOM 971 CG2 ILE A 65 -3.028 1.952 -6.959 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.257 4.468 -5.693 1.00 0.00 C ATOM 0 H ILE A 65 -4.244 -0.041 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.355 2.348 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.903 1.042 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.386 3.210 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.678 3.037 -5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.188 1.976 -7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.621 1.055 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.650 2.834 -7.112 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.574 5.291 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.468 4.440 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.186 4.616 -5.143 1.00 0.00 H new ATOM 984 N ASN A 66 -5.098 3.870 -4.487 1.00 0.00 N ATOM 985 CA ASN A 66 -6.180 4.742 -4.931 1.00 0.00 C ATOM 986 C ASN A 66 -7.446 3.938 -5.212 1.00 0.00 C ATOM 987 O ASN A 66 -8.240 4.295 -6.081 1.00 0.00 O ATOM 988 CB ASN A 66 -5.762 5.511 -6.185 1.00 0.00 C ATOM 989 CG ASN A 66 -6.512 6.820 -6.339 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.388 6.949 -7.194 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.171 7.798 -5.508 1.00 0.00 N ATOM 0 H ASN A 66 -4.575 4.221 -3.685 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.392 5.452 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.691 5.712 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.937 4.890 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.642 8.701 -5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.439 7.646 -4.815 1.00 0.00 H new ATOM 998 N GLY A 67 -7.626 2.849 -4.470 1.00 0.00 N ATOM 999 CA GLY A 67 -8.797 2.012 -4.654 1.00 0.00 C ATOM 1000 C GLY A 67 -8.629 1.022 -5.790 1.00 0.00 C ATOM 1001 O GLY A 67 -9.529 0.850 -6.612 1.00 0.00 O ATOM 0 H GLY A 67 -6.982 2.532 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.001 1.470 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.664 2.643 -4.851 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.472 0.369 -5.837 1.00 0.00 N ATOM 1006 CA VAL A 68 -7.188 -0.609 -6.881 1.00 0.00 C ATOM 1007 C VAL A 68 -6.213 -1.672 -6.388 1.00 0.00 C ATOM 1008 O VAL A 68 -5.128 -1.357 -5.900 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.603 0.065 -8.137 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -6.197 -0.981 -9.164 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.603 1.046 -8.729 1.00 0.00 C ATOM 0 H VAL A 68 -6.716 0.499 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.136 -1.081 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.711 0.621 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.786 -0.486 -10.044 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.443 -1.640 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.070 -1.567 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.174 1.513 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.514 0.515 -9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.839 1.814 -7.992 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.608 -2.934 -6.517 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.770 -4.046 -6.084 1.00 0.00 C ATOM 1023 C PHE A 69 -4.519 -4.154 -6.951 1.00 0.00 C ATOM 1024 O PHE A 69 -4.589 -4.546 -8.116 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.557 -5.357 -6.138 1.00 0.00 C ATOM 1026 CG PHE A 69 -6.105 -6.370 -5.125 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -6.350 -6.176 -3.775 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -5.436 -7.516 -5.522 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -5.935 -7.106 -2.841 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -5.018 -8.450 -4.593 1.00 0.00 C ATOM 1031 CZ PHE A 69 -5.269 -8.244 -3.250 1.00 0.00 C ATOM 0 H PHE A 69 -7.504 -3.212 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.462 -3.857 -5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.614 -5.144 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.464 -5.786 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.871 -5.288 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.239 -7.682 -6.571 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.132 -6.943 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.496 -9.339 -4.916 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.945 -8.972 -2.521 1.00 0.00 H new ATOM 1041 N VAL A 70 -3.374 -3.803 -6.374 1.00 0.00 N ATOM 1042 CA VAL A 70 -2.107 -3.861 -7.092 1.00 0.00 C ATOM 1043 C VAL A 70 -1.134 -4.819 -6.415 1.00 0.00 C ATOM 1044 O VAL A 70 0.076 -4.592 -6.411 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.454 -2.469 -7.191 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -2.387 -1.490 -7.887 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -1.069 -1.962 -5.810 1.00 0.00 C ATOM 0 H VAL A 70 -3.298 -3.475 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.329 -4.223 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.546 -2.554 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.909 -0.512 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.607 -1.849 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.314 -1.406 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.609 -0.978 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.960 -1.891 -5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.361 -2.653 -5.353 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.670 -5.891 -5.842 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.850 -6.887 -5.162 1.00 0.00 C ATOM 1059 C ASP A 71 0.090 -7.580 -6.145 1.00 0.00 C ATOM 1060 O ASP A 71 1.288 -7.705 -5.892 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.736 -7.922 -4.468 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.931 -8.949 -3.696 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -0.562 -8.665 -2.537 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.671 -10.037 -4.251 1.00 0.00 O ATOM 0 H ASP A 71 -2.670 -6.093 -5.835 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.248 -6.375 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.419 -7.413 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.348 -8.430 -5.213 1.00 0.00 H new ATOM 1069 N LYS A 72 -0.463 -8.029 -7.267 1.00 0.00 N ATOM 1070 CA LYS A 72 0.324 -8.709 -8.288 1.00 0.00 C ATOM 1071 C LYS A 72 0.826 -7.721 -9.337 1.00 0.00 C ATOM 1072 O LYS A 72 1.808 -7.983 -10.029 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.510 -9.803 -8.960 1.00 0.00 C ATOM 1074 CG LYS A 72 0.194 -10.475 -10.126 1.00 0.00 C ATOM 1075 CD LYS A 72 1.298 -11.405 -9.650 1.00 0.00 C ATOM 1076 CE LYS A 72 1.965 -12.119 -10.814 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.903 -13.180 -10.351 1.00 0.00 N ATOM 0 H LYS A 72 -1.453 -7.934 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 72 1.187 -9.165 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.768 -10.559 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.446 -9.370 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.530 -11.039 -10.713 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.616 -9.715 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.043 -10.833 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.884 -12.140 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.202 -12.563 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.508 -11.395 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.337 -13.643 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.646 -12.753 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.381 -13.885 -9.793 1.00 0.00 H new ATOM 1091 N GLU A 73 0.144 -6.585 -9.446 1.00 0.00 N ATOM 1092 CA GLU A 73 0.522 -5.558 -10.410 1.00 0.00 C ATOM 1093 C GLU A 73 2.022 -5.283 -10.352 1.00 0.00 C ATOM 1094 O GLU A 73 2.714 -5.752 -9.449 1.00 0.00 O ATOM 1095 CB GLU A 73 -0.256 -4.268 -10.146 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.719 -4.346 -10.546 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.906 -4.681 -12.013 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.218 -4.066 -12.853 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.740 -5.558 -12.320 1.00 0.00 O ATOM 0 H GLU A 73 -0.672 -6.353 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 73 0.276 -5.923 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.191 -4.025 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.217 -3.451 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.218 -5.101 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.202 -3.393 -10.330 1.00 0.00 H new ATOM 1106 N GLU A 74 2.516 -4.518 -11.321 1.00 0.00 N ATOM 1107 CA GLU A 74 3.933 -4.181 -11.379 1.00 0.00 C ATOM 1108 C GLU A 74 4.164 -2.727 -10.978 1.00 0.00 C ATOM 1109 O GLU A 74 3.320 -1.863 -11.220 1.00 0.00 O ATOM 1110 CB GLU A 74 4.480 -4.426 -12.787 1.00 0.00 C ATOM 1111 CG GLU A 74 5.957 -4.781 -12.813 1.00 0.00 C ATOM 1112 CD GLU A 74 6.590 -4.546 -14.171 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.406 -3.444 -14.728 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.269 -5.464 -14.676 1.00 0.00 O ATOM 0 H GLU A 74 1.956 -4.121 -12.075 1.00 0.00 H new ATOM 0 HA GLU A 74 4.462 -4.822 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.913 -5.232 -13.253 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.319 -3.533 -13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.482 -4.188 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.080 -5.828 -12.535 1.00 0.00 H new ATOM 1121 N HIS A 75 5.312 -2.464 -10.362 1.00 0.00 N ATOM 1122 CA HIS A 75 5.655 -1.115 -9.927 1.00 0.00 C ATOM 1123 C HIS A 75 5.222 -0.083 -10.964 1.00 0.00 C ATOM 1124 O HIS A 75 4.476 0.845 -10.656 1.00 0.00 O ATOM 1125 CB HIS A 75 7.159 -1.004 -9.676 1.00 0.00 C ATOM 1126 CG HIS A 75 7.622 0.397 -9.420 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.197 1.144 -8.341 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.479 1.187 -10.109 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.772 2.333 -8.379 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.555 2.385 -9.441 1.00 0.00 N ATOM 0 H HIS A 75 6.020 -3.167 -10.153 1.00 0.00 H new ATOM 0 HA HIS A 75 5.124 -0.914 -8.997 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.423 -1.627 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.693 -1.403 -10.538 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.005 0.924 -11.015 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.626 3.128 -7.663 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.124 3.185 -9.720 1.00 0.00 H new ATOM 1139 N ALA A 76 5.697 -0.252 -12.194 1.00 0.00 N ATOM 1140 CA ALA A 76 5.358 0.664 -13.276 1.00 0.00 C ATOM 1141 C ALA A 76 3.859 0.943 -13.310 1.00 0.00 C ATOM 1142 O ALA A 76 3.435 2.078 -13.522 1.00 0.00 O ATOM 1143 CB ALA A 76 5.823 0.099 -14.610 1.00 0.00 C ATOM 0 H ALA A 76 6.317 -1.015 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 76 5.872 1.608 -13.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.563 0.793 -15.409 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.904 -0.042 -14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.335 -0.859 -14.789 1.00 0.00 H new ATOM 1149 N GLN A 77 3.063 -0.101 -13.101 1.00 0.00 N ATOM 1150 CA GLN A 77 1.611 0.033 -13.110 1.00 0.00 C ATOM 1151 C GLN A 77 1.132 0.844 -11.911 1.00 0.00 C ATOM 1152 O GLN A 77 0.290 1.731 -12.045 1.00 0.00 O ATOM 1153 CB GLN A 77 0.951 -1.347 -13.104 1.00 0.00 C ATOM 1154 CG GLN A 77 1.008 -2.055 -14.449 1.00 0.00 C ATOM 1155 CD GLN A 77 -0.024 -1.532 -15.428 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -1.080 -2.136 -15.616 1.00 0.00 O ATOM 1157 NE2 GLN A 77 0.276 -0.402 -16.057 1.00 0.00 N ATOM 0 H GLN A 77 3.399 -1.048 -12.924 1.00 0.00 H new ATOM 0 HA GLN A 77 1.325 0.561 -14.020 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.438 -1.970 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.091 -1.241 -12.803 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.003 -1.934 -14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.853 -3.124 -14.300 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.163 0.065 -15.871 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.381 -0.001 -16.727 1.00 0.00 H new ATOM 1166 N VAL A 78 1.674 0.533 -10.737 1.00 0.00 N ATOM 1167 CA VAL A 78 1.302 1.233 -9.514 1.00 0.00 C ATOM 1168 C VAL A 78 1.667 2.711 -9.594 1.00 0.00 C ATOM 1169 O VAL A 78 0.813 3.582 -9.429 1.00 0.00 O ATOM 1170 CB VAL A 78 1.988 0.613 -8.282 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.536 1.314 -7.010 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.701 -0.879 -8.208 1.00 0.00 C ATOM 0 H VAL A 78 2.372 -0.199 -10.608 1.00 0.00 H new ATOM 0 HA VAL A 78 0.222 1.133 -9.408 1.00 0.00 H new ATOM 0 HB VAL A 78 3.065 0.749 -8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.031 0.863 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.796 2.371 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.456 1.211 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.193 -1.301 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.625 -1.039 -8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.078 -1.367 -9.107 1.00 0.00 H new ATOM 1182 N VAL A 79 2.942 2.988 -9.850 1.00 0.00 N ATOM 1183 CA VAL A 79 3.420 4.361 -9.955 1.00 0.00 C ATOM 1184 C VAL A 79 2.463 5.215 -10.779 1.00 0.00 C ATOM 1185 O VAL A 79 2.316 6.411 -10.533 1.00 0.00 O ATOM 1186 CB VAL A 79 4.822 4.420 -10.591 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.813 3.768 -11.965 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.307 5.859 -10.677 1.00 0.00 C ATOM 0 H VAL A 79 3.662 2.279 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 79 3.473 4.756 -8.941 1.00 0.00 H new ATOM 0 HB VAL A 79 5.514 3.865 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.812 3.819 -12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.511 2.725 -11.871 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.109 4.292 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.299 5.882 -11.129 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.616 6.440 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.354 6.288 -9.676 1.00 0.00 H new ATOM 1198 N GLU A 80 1.816 4.591 -11.759 1.00 0.00 N ATOM 1199 CA GLU A 80 0.873 5.295 -12.620 1.00 0.00 C ATOM 1200 C GLU A 80 -0.377 5.697 -11.843 1.00 0.00 C ATOM 1201 O GLU A 80 -0.951 6.762 -12.076 1.00 0.00 O ATOM 1202 CB GLU A 80 0.486 4.419 -13.813 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.460 5.101 -14.787 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.655 4.306 -16.064 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.329 3.705 -16.545 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.791 4.284 -16.581 1.00 0.00 O ATOM 0 H GLU A 80 1.928 3.601 -11.976 1.00 0.00 H new ATOM 0 HA GLU A 80 1.359 6.200 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.391 4.124 -14.345 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.019 3.505 -13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.426 5.250 -14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.071 6.089 -15.034 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.795 4.838 -10.921 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.979 5.102 -10.109 1.00 0.00 C ATOM 1215 C LEU A 81 -1.720 6.236 -9.123 1.00 0.00 C ATOM 1216 O LEU A 81 -2.554 7.126 -8.951 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.395 3.839 -9.354 1.00 0.00 C ATOM 1218 CG LEU A 81 -3.341 2.894 -10.096 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.661 3.586 -10.395 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -2.696 2.394 -11.381 1.00 0.00 C ATOM 0 H LEU A 81 -0.332 3.952 -10.716 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.788 5.402 -10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.494 3.285 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.871 4.138 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.542 2.035 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.321 2.898 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.130 3.894 -9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.479 4.463 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.383 1.723 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.465 3.242 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.777 1.859 -11.142 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.559 6.199 -8.478 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.188 7.226 -7.511 1.00 0.00 C ATOM 1234 C VAL A 82 -0.111 8.599 -8.169 1.00 0.00 C ATOM 1235 O VAL A 82 -0.700 9.565 -7.684 1.00 0.00 O ATOM 1236 CB VAL A 82 1.165 6.910 -6.847 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.617 8.072 -5.976 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.074 5.627 -6.035 1.00 0.00 C ATOM 0 H VAL A 82 0.141 5.469 -8.607 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.965 7.236 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 82 1.909 6.764 -7.630 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.575 7.830 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.725 8.966 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.876 8.253 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.039 5.420 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.317 5.741 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.800 4.800 -6.690 1.00 0.00 H new ATOM 1248 N ARG A 83 0.618 8.678 -9.277 1.00 0.00 N ATOM 1249 CA ARG A 83 0.773 9.933 -10.002 1.00 0.00 C ATOM 1250 C ARG A 83 -0.570 10.423 -10.534 1.00 0.00 C ATOM 1251 O ARG A 83 -0.883 11.612 -10.461 1.00 0.00 O ATOM 1252 CB ARG A 83 1.759 9.760 -11.159 1.00 0.00 C ATOM 1253 CG ARG A 83 1.165 9.050 -12.365 1.00 0.00 C ATOM 1254 CD ARG A 83 2.193 8.876 -13.472 1.00 0.00 C ATOM 1255 NE ARG A 83 1.591 8.375 -14.704 1.00 0.00 N ATOM 1256 CZ ARG A 83 2.147 8.511 -15.902 1.00 0.00 C ATOM 1257 NH1 ARG A 83 3.313 9.131 -16.029 1.00 0.00 N ATOM 1258 NH2 ARG A 83 1.538 8.028 -16.977 1.00 0.00 N ATOM 0 H ARG A 83 1.111 7.887 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 83 1.164 10.678 -9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.120 10.741 -11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.624 9.198 -10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.785 8.074 -12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.316 9.620 -12.742 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.679 9.832 -13.669 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.969 8.186 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 83 0.694 7.894 -14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.784 9.504 -15.205 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.738 9.234 -16.950 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.641 7.551 -16.884 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.967 8.133 -17.897 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.361 9.500 -11.069 1.00 0.00 N ATOM 1273 CA LYS A 84 -2.672 9.836 -11.613 1.00 0.00 C ATOM 1274 C LYS A 84 -3.609 10.321 -10.512 1.00 0.00 C ATOM 1275 O LYS A 84 -4.341 11.294 -10.691 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.281 8.622 -12.318 1.00 0.00 C ATOM 1277 CG LYS A 84 -2.794 8.440 -13.745 1.00 0.00 C ATOM 1278 CD LYS A 84 -3.550 7.329 -14.455 1.00 0.00 C ATOM 1279 CE LYS A 84 -4.964 7.758 -14.813 1.00 0.00 C ATOM 1280 NZ LYS A 84 -5.631 6.776 -15.713 1.00 0.00 N ATOM 0 H LYS A 84 -1.117 8.512 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.542 10.641 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.046 7.724 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.366 8.722 -12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.917 9.373 -14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.728 8.211 -13.740 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.015 7.044 -15.361 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.587 6.447 -13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.551 7.872 -13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.936 8.734 -15.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.593 7.105 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.085 6.686 -16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.681 5.851 -15.241 1.00 0.00 H new ATOM 1294 N SER A 85 -3.581 9.636 -9.373 1.00 0.00 N ATOM 1295 CA SER A 85 -4.431 9.996 -8.244 1.00 0.00 C ATOM 1296 C SER A 85 -4.593 11.510 -8.147 1.00 0.00 C ATOM 1297 O SER A 85 -5.709 12.028 -8.159 1.00 0.00 O ATOM 1298 CB SER A 85 -3.842 9.451 -6.941 1.00 0.00 C ATOM 1299 OG SER A 85 -3.780 8.036 -6.962 1.00 0.00 O ATOM 0 H SER A 85 -2.979 8.829 -9.208 1.00 0.00 H new ATOM 0 HA SER A 85 -5.413 9.552 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.843 9.860 -6.791 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.450 9.779 -6.098 1.00 0.00 H new ATOM 0 HG SER A 85 -3.030 7.750 -7.524 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.470 12.215 -8.051 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.508 13.662 -7.954 1.00 0.00 C ATOM 1307 C GLY A 86 -2.921 14.172 -6.652 1.00 0.00 C ATOM 1308 O GLY A 86 -1.917 13.649 -6.170 1.00 0.00 O ATOM 0 H GLY A 86 -2.534 11.809 -8.039 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.958 14.094 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.540 14.002 -8.041 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.547 15.196 -6.083 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.079 15.778 -4.830 1.00 0.00 C ATOM 1314 C ASN A 87 -3.259 14.798 -3.675 1.00 0.00 C ATOM 1315 O ASN A 87 -2.319 14.522 -2.930 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.832 17.077 -4.534 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.877 18.005 -5.733 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.952 18.342 -6.230 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -2.708 18.422 -6.203 1.00 0.00 N ATOM 0 H ASN A 87 -4.380 15.640 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.017 15.998 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.849 16.841 -4.222 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.353 17.589 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.676 19.048 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.842 18.117 -5.759 1.00 0.00 H new ATOM 1326 N SER A 88 -4.473 14.276 -3.532 1.00 0.00 N ATOM 1327 CA SER A 88 -4.777 13.330 -2.466 1.00 0.00 C ATOM 1328 C SER A 88 -4.681 11.893 -2.971 1.00 0.00 C ATOM 1329 O SER A 88 -5.019 11.602 -4.118 1.00 0.00 O ATOM 1330 CB SER A 88 -6.177 13.592 -1.906 1.00 0.00 C ATOM 1331 OG SER A 88 -7.143 13.620 -2.942 1.00 0.00 O ATOM 0 H SER A 88 -5.262 14.493 -4.141 1.00 0.00 H new ATOM 0 HA SER A 88 -4.043 13.468 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.435 12.816 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.186 14.541 -1.370 1.00 0.00 H new ATOM 0 HG SER A 88 -8.029 13.787 -2.559 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.216 10.998 -2.104 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.075 9.591 -2.460 1.00 0.00 C ATOM 1339 C VAL A 89 -4.338 8.691 -1.258 1.00 0.00 C ATOM 1340 O VAL A 89 -4.022 9.045 -0.122 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.670 9.291 -3.015 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.619 7.892 -3.611 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.271 10.334 -4.048 1.00 0.00 C ATOM 0 H VAL A 89 -3.931 11.223 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.815 9.384 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.956 9.336 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.619 7.698 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.859 7.159 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.343 7.815 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.276 10.106 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.986 10.323 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.265 11.321 -3.585 1.00 0.00 H new ATOM 1353 N THR A 90 -4.919 7.524 -1.516 1.00 0.00 N ATOM 1354 CA THR A 90 -5.226 6.572 -0.456 1.00 0.00 C ATOM 1355 C THR A 90 -4.410 5.294 -0.611 1.00 0.00 C ATOM 1356 O THR A 90 -4.207 4.806 -1.724 1.00 0.00 O ATOM 1357 CB THR A 90 -6.724 6.213 -0.439 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.509 7.394 -0.245 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.027 5.209 0.663 1.00 0.00 C ATOM 0 H THR A 90 -5.187 7.215 -2.451 1.00 0.00 H new ATOM 0 HA THR A 90 -4.965 7.054 0.486 1.00 0.00 H new ATOM 0 HB THR A 90 -6.978 5.763 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.460 7.157 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.091 4.971 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.450 4.300 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.758 5.637 1.629 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.945 4.754 0.510 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.151 3.531 0.499 1.00 0.00 C ATOM 1369 C LEU A 91 -3.467 2.665 1.714 1.00 0.00 C ATOM 1370 O LEU A 91 -3.491 3.151 2.846 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.659 3.868 0.472 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.208 4.830 -0.627 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.069 5.547 -0.218 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.006 4.085 -1.938 1.00 0.00 C ATOM 0 H LEU A 91 -4.104 5.144 1.439 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.406 2.970 -0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.386 4.296 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.099 2.939 0.366 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.989 5.576 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.375 6.227 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.109 6.113 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.858 4.815 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.685 4.786 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.244 3.317 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.944 3.618 -2.240 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.706 1.381 1.473 1.00 0.00 N ATOM 1387 CA LEU A 92 -4.018 0.446 2.549 1.00 0.00 C ATOM 1388 C LEU A 92 -2.785 -0.362 2.943 1.00 0.00 C ATOM 1389 O LEU A 92 -2.322 -1.216 2.187 1.00 0.00 O ATOM 1390 CB LEU A 92 -5.144 -0.497 2.121 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.565 0.053 2.248 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.555 -0.857 1.538 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.944 0.218 3.712 1.00 0.00 C ATOM 0 H LEU A 92 -3.690 0.963 0.543 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.344 1.022 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.977 -0.781 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.074 -1.408 2.716 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.599 1.033 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.561 -0.450 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.295 -0.924 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.520 -1.851 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.958 0.610 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.893 -0.749 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.252 0.911 4.191 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.260 -0.087 4.133 1.00 0.00 N ATOM 1406 CA VAL A 93 -1.083 -0.790 4.629 1.00 0.00 C ATOM 1407 C VAL A 93 -1.457 -1.780 5.726 1.00 0.00 C ATOM 1408 O VAL A 93 -2.290 -1.487 6.584 1.00 0.00 O ATOM 1409 CB VAL A 93 -0.031 0.194 5.177 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.589 0.998 4.044 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.653 1.114 6.217 1.00 0.00 C ATOM 0 H VAL A 93 -2.631 0.617 4.771 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.658 -1.332 3.784 1.00 0.00 H new ATOM 0 HB VAL A 93 0.761 -0.379 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.329 1.687 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.072 0.321 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.189 1.562 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.104 1.802 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.465 1.681 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.044 0.519 7.042 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.834 -2.953 5.694 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.101 -3.988 6.687 1.00 0.00 C ATOM 1423 C LEU A 94 0.017 -4.050 7.723 1.00 0.00 C ATOM 1424 O LEU A 94 1.089 -3.477 7.528 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.255 -5.349 6.005 1.00 0.00 C ATOM 1426 CG LEU A 94 -1.958 -6.433 6.821 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.258 -5.902 7.406 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.220 -7.662 5.963 1.00 0.00 C ATOM 0 H LEU A 94 -0.141 -3.211 4.992 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.031 -3.736 7.197 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.807 -5.207 5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.263 -5.712 5.735 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.304 -6.722 7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.745 -6.688 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.045 -5.053 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.917 -5.584 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.721 -8.423 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.853 -7.388 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.273 -8.056 5.593 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.241 -4.749 8.822 1.00 0.00 N ATOM 1441 CA ASP A 95 0.745 -4.888 9.888 1.00 0.00 C ATOM 1442 C ASP A 95 1.837 -5.876 9.492 1.00 0.00 C ATOM 1443 O ASP A 95 1.564 -6.905 8.875 1.00 0.00 O ATOM 1444 CB ASP A 95 0.068 -5.348 11.181 1.00 0.00 C ATOM 1445 CG ASP A 95 -1.351 -4.829 11.308 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -2.194 -5.196 10.463 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -1.618 -4.054 12.250 1.00 0.00 O ATOM 0 H ASP A 95 -1.124 -5.228 8.999 1.00 0.00 H new ATOM 0 HA ASP A 95 1.204 -3.914 10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.058 -6.437 11.215 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.654 -5.008 12.035 1.00 0.00 H new ATOM 1452 N GLY A 96 3.077 -5.556 9.852 1.00 0.00 N ATOM 1453 CA GLY A 96 4.192 -6.425 9.524 1.00 0.00 C ATOM 1454 C GLY A 96 3.855 -7.892 9.699 1.00 0.00 C ATOM 1455 O GLY A 96 3.728 -8.628 8.720 1.00 0.00 O ATOM 0 H GLY A 96 3.329 -4.711 10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.497 -6.246 8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.043 -6.173 10.156 1.00 0.00 H new ATOM 1459 N ASP A 97 3.710 -8.319 10.949 1.00 0.00 N ATOM 1460 CA ASP A 97 3.386 -9.709 11.249 1.00 0.00 C ATOM 1461 C ASP A 97 2.128 -10.146 10.506 1.00 0.00 C ATOM 1462 O ASP A 97 2.096 -11.215 9.895 1.00 0.00 O ATOM 1463 CB ASP A 97 3.195 -9.896 12.755 1.00 0.00 C ATOM 1464 CG ASP A 97 2.933 -11.342 13.130 1.00 0.00 C ATOM 1465 OD1 ASP A 97 3.584 -12.234 12.547 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.077 -11.581 14.007 1.00 0.00 O ATOM 0 H ASP A 97 3.812 -7.723 11.770 1.00 0.00 H new ATOM 0 HA ASP A 97 4.217 -10.331 10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.084 -9.543 13.278 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.362 -9.279 13.092 1.00 0.00 H new ATOM 1471 N SER A 98 1.094 -9.314 10.563 1.00 0.00 N ATOM 1472 CA SER A 98 -0.169 -9.617 9.899 1.00 0.00 C ATOM 1473 C SER A 98 0.071 -10.124 8.480 1.00 0.00 C ATOM 1474 O SER A 98 -0.458 -11.161 8.082 1.00 0.00 O ATOM 1475 CB SER A 98 -1.062 -8.375 9.865 1.00 0.00 C ATOM 1476 OG SER A 98 -1.573 -8.079 11.153 1.00 0.00 O ATOM 0 H SER A 98 1.105 -8.424 11.062 1.00 0.00 H new ATOM 0 HA SER A 98 -0.671 -10.401 10.466 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.492 -7.524 9.492 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.887 -8.535 9.171 1.00 0.00 H new ATOM 0 HG SER A 98 -0.875 -8.228 11.824 1.00 0.00 H new ATOM 1482 N TYR A 99 0.873 -9.384 7.722 1.00 0.00 N ATOM 1483 CA TYR A 99 1.182 -9.756 6.347 1.00 0.00 C ATOM 1484 C TYR A 99 1.807 -11.146 6.286 1.00 0.00 C ATOM 1485 O TYR A 99 1.379 -11.996 5.506 1.00 0.00 O ATOM 1486 CB TYR A 99 2.129 -8.731 5.720 1.00 0.00 C ATOM 1487 CG TYR A 99 2.077 -8.703 4.209 1.00 0.00 C ATOM 1488 CD1 TYR A 99 1.035 -8.071 3.542 1.00 0.00 C ATOM 1489 CD2 TYR A 99 3.069 -9.310 3.449 1.00 0.00 C ATOM 1490 CE1 TYR A 99 0.982 -8.043 2.162 1.00 0.00 C ATOM 1491 CE2 TYR A 99 3.026 -9.286 2.068 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.980 -8.652 1.429 1.00 0.00 C ATOM 1493 OH TYR A 99 1.933 -8.627 0.054 1.00 0.00 O ATOM 0 H TYR A 99 1.321 -8.523 8.037 1.00 0.00 H new ATOM 0 HA TYR A 99 0.249 -9.772 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.883 -7.740 6.102 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.149 -8.950 6.036 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.252 -7.593 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.888 -9.809 3.946 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.164 -7.547 1.660 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.807 -9.761 1.492 1.00 0.00 H new ATOM 0 HH TYR A 99 2.711 -9.100 -0.309 1.00 0.00 H new ATOM 1503 N GLU A 100 2.821 -11.369 7.115 1.00 0.00 N ATOM 1504 CA GLU A 100 3.506 -12.656 7.156 1.00 0.00 C ATOM 1505 C GLU A 100 2.520 -13.788 7.430 1.00 0.00 C ATOM 1506 O GLU A 100 2.463 -14.770 6.690 1.00 0.00 O ATOM 1507 CB GLU A 100 4.597 -12.645 8.228 1.00 0.00 C ATOM 1508 CG GLU A 100 5.655 -11.576 8.009 1.00 0.00 C ATOM 1509 CD GLU A 100 6.798 -11.674 9.000 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.556 -11.460 10.207 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.934 -11.965 8.570 1.00 0.00 O ATOM 0 H GLU A 100 3.187 -10.676 7.767 1.00 0.00 H new ATOM 0 HA GLU A 100 3.966 -12.825 6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.135 -12.492 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.080 -13.622 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.049 -11.662 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.193 -10.592 8.089 1.00 0.00 H new ATOM 1518 N LYS A 101 1.745 -13.643 8.500 1.00 0.00 N ATOM 1519 CA LYS A 101 0.760 -14.652 8.873 1.00 0.00 C ATOM 1520 C LYS A 101 -0.298 -14.808 7.786 1.00 0.00 C ATOM 1521 O LYS A 101 -0.429 -15.872 7.183 1.00 0.00 O ATOM 1522 CB LYS A 101 0.093 -14.276 10.199 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.398 -15.474 10.993 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.168 -15.045 12.231 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.238 -14.502 13.305 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.989 -14.036 14.504 1.00 0.00 N ATOM 0 H LYS A 101 1.780 -12.837 9.124 1.00 0.00 H new ATOM 0 HA LYS A 101 1.278 -15.604 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.802 -13.714 10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.749 -13.614 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.037 -16.093 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.452 -16.090 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.898 -14.282 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.726 -15.894 12.626 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.470 -15.277 13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.345 -13.676 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.320 -13.673 15.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.647 -13.279 14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.525 -14.830 14.908 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.050 -13.739 7.541 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.094 -13.758 6.524 1.00 0.00 C ATOM 1542 C ALA A 102 -1.575 -14.342 5.214 1.00 0.00 C ATOM 1543 O ALA A 102 -2.060 -15.372 4.747 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.636 -12.354 6.299 1.00 0.00 C ATOM 0 H ALA A 102 -0.955 -12.850 8.033 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.902 -14.396 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.415 -12.382 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.053 -11.971 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.828 -11.701 5.968 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.586 -13.677 4.626 1.00 0.00 N ATOM 1551 CA VAL A 103 -0.001 -14.130 3.370 1.00 0.00 C ATOM 1552 C VAL A 103 0.273 -15.630 3.401 1.00 0.00 C ATOM 1553 O VAL A 103 -0.059 -16.353 2.461 1.00 0.00 O ATOM 1554 CB VAL A 103 1.313 -13.387 3.061 1.00 0.00 C ATOM 1555 CG1 VAL A 103 1.972 -13.961 1.817 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.055 -11.896 2.898 1.00 0.00 C ATOM 0 H VAL A 103 -0.173 -12.822 5.000 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.727 -13.911 2.587 1.00 0.00 H new ATOM 0 HB VAL A 103 1.995 -13.526 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.898 -13.423 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.192 -15.017 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.298 -13.855 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.993 -11.386 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.356 -11.735 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.631 -11.497 3.820 1.00 0.00 H new ATOM 1566 N LYS A 104 0.880 -16.093 4.488 1.00 0.00 N ATOM 1567 CA LYS A 104 1.197 -17.507 4.645 1.00 0.00 C ATOM 1568 C LYS A 104 -0.069 -18.326 4.880 1.00 0.00 C ATOM 1569 O LYS A 104 -0.118 -19.513 4.564 1.00 0.00 O ATOM 1570 CB LYS A 104 2.170 -17.707 5.809 1.00 0.00 C ATOM 1571 CG LYS A 104 2.417 -19.166 6.152 1.00 0.00 C ATOM 1572 CD LYS A 104 3.454 -19.787 5.231 1.00 0.00 C ATOM 1573 CE LYS A 104 4.867 -19.403 5.644 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.288 -20.099 6.892 1.00 0.00 N ATOM 0 H LYS A 104 1.163 -15.508 5.275 1.00 0.00 H new ATOM 0 HA LYS A 104 1.666 -17.853 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.121 -17.235 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.780 -17.197 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.753 -19.246 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.482 -19.722 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.352 -20.872 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.273 -19.463 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.560 -19.649 4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.921 -18.325 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.319 -20.018 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.816 -19.662 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.024 -21.103 6.835 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.090 -17.682 5.436 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.356 -18.351 5.712 1.00 0.00 C ATOM 1590 C ASN A 105 -3.225 -18.409 4.460 1.00 0.00 C ATOM 1591 O ASN A 105 -4.358 -18.889 4.501 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.105 -17.627 6.833 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.409 -17.761 8.174 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.373 -18.418 8.285 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.976 -17.138 9.200 1.00 0.00 N ATOM 0 H ASN A 105 -1.065 -16.698 5.704 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.138 -19.371 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.200 -16.571 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.115 -18.028 6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.553 -17.192 10.127 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.834 -16.605 9.062 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.686 -17.917 3.349 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.413 -17.914 2.085 1.00 0.00 C ATOM 1604 C GLN A 106 -4.748 -17.190 2.226 1.00 0.00 C ATOM 1605 O GLN A 106 -5.694 -17.459 1.486 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.645 -19.346 1.601 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.373 -20.052 1.160 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.960 -19.684 -0.251 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.044 -18.523 -0.652 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.509 -20.673 -1.014 1.00 0.00 N ATOM 0 H GLN A 106 -1.750 -17.516 3.299 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.808 -17.383 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.111 -19.920 2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.349 -19.330 0.769 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.566 -19.801 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.521 -21.130 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.456 -21.621 -0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.216 -20.485 -1.973 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.818 -16.270 3.183 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.038 -15.507 3.422 1.00 0.00 C ATOM 1621 C VAL A 107 -6.433 -14.703 2.189 1.00 0.00 C ATOM 1622 O VAL A 107 -5.586 -14.351 1.367 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.875 -14.548 4.616 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -4.860 -13.461 4.294 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -7.216 -13.941 4.999 1.00 0.00 C ATOM 0 H VAL A 107 -4.045 -16.035 3.805 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.823 -16.228 3.649 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.503 -15.117 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.758 -12.793 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.895 -13.918 4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.198 -12.892 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -7.082 -13.266 5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.619 -13.386 4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.909 -14.735 5.275 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.724 -14.415 2.066 1.00 0.00 N ATOM 1636 CA ASP A 108 -8.232 -13.650 0.933 1.00 0.00 C ATOM 1637 C ASP A 108 -8.001 -12.156 1.138 1.00 0.00 C ATOM 1638 O ASP A 108 -8.909 -11.425 1.536 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.724 -13.925 0.733 1.00 0.00 C ATOM 1640 CG ASP A 108 -10.056 -15.402 0.812 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -10.127 -15.935 1.939 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.244 -16.026 -0.254 1.00 0.00 O ATOM 0 H ASP A 108 -8.438 -14.700 2.737 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.689 -13.964 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -10.294 -13.386 1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -10.035 -13.537 -0.237 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.780 -11.709 0.866 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.428 -10.302 1.021 1.00 0.00 C ATOM 1649 C LEU A 109 -7.407 -9.409 0.265 1.00 0.00 C ATOM 1650 O LEU A 109 -7.794 -8.345 0.748 1.00 0.00 O ATOM 1651 CB LEU A 109 -5.004 -10.054 0.522 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.890 -10.764 1.292 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.560 -10.608 0.571 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.795 -10.225 2.712 1.00 0.00 C ATOM 0 H LEU A 109 -6.017 -12.301 0.537 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.483 -10.054 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.948 -10.360 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.812 -8.981 0.551 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.130 -11.826 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.779 -11.120 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.633 -11.043 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.313 -9.550 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.997 -10.742 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.579 -9.157 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.741 -10.389 3.228 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.806 -9.851 -0.923 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.742 -9.095 -1.746 1.00 0.00 C ATOM 1668 C LYS A 110 -9.923 -8.603 -0.914 1.00 0.00 C ATOM 1669 O LYS A 110 -10.588 -7.633 -1.278 1.00 0.00 O ATOM 1670 CB LYS A 110 -9.246 -9.957 -2.905 1.00 0.00 C ATOM 1671 CG LYS A 110 -8.389 -9.857 -4.155 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.868 -8.742 -5.071 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.449 -8.987 -6.512 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.348 -8.294 -7.476 1.00 0.00 N ATOM 0 H LYS A 110 -7.495 -10.730 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.216 -8.229 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.284 -10.998 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.266 -9.662 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.352 -9.677 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.414 -10.806 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.954 -8.664 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.462 -7.790 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.426 -8.641 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.455 -10.058 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.029 -8.486 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.321 -8.642 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.323 -7.269 -7.299 1.00 0.00 H new ATOM 1688 N GLU A 111 -10.175 -9.277 0.203 1.00 0.00 N ATOM 1689 CA GLU A 111 -11.276 -8.906 1.086 1.00 0.00 C ATOM 1690 C GLU A 111 -10.915 -7.680 1.919 1.00 0.00 C ATOM 1691 O GLU A 111 -11.764 -6.831 2.195 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.636 -10.074 2.006 1.00 0.00 C ATOM 1693 CG GLU A 111 -12.218 -11.271 1.272 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.923 -12.239 2.202 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -13.768 -11.784 3.002 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.631 -13.451 2.130 1.00 0.00 O ATOM 0 H GLU A 111 -9.633 -10.082 0.518 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.139 -8.662 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.743 -10.389 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.354 -9.731 2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.921 -10.922 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.419 -11.794 0.747 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.651 -7.595 2.319 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.176 -6.473 3.122 1.00 0.00 C ATOM 1705 C LEU A 112 -9.686 -5.149 2.562 1.00 0.00 C ATOM 1706 O LEU A 112 -9.273 -4.719 1.484 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.648 -6.465 3.170 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.983 -7.773 3.602 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.493 -7.740 3.299 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.222 -8.028 5.083 1.00 0.00 C ATOM 0 H LEU A 112 -8.936 -8.289 2.101 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.564 -6.592 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.275 -6.200 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.330 -5.676 3.852 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.430 -8.590 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.037 -8.679 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.342 -7.604 2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.030 -6.913 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.742 -8.963 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.802 -7.208 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.293 -8.096 5.272 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.582 -4.505 3.301 1.00 0.00 N ATOM 1723 CA ASP A 113 -11.145 -3.228 2.880 1.00 0.00 C ATOM 1724 C ASP A 113 -11.812 -2.515 4.053 1.00 0.00 C ATOM 1725 O ASP A 113 -12.879 -2.920 4.512 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.158 -3.439 1.754 1.00 0.00 C ATOM 1727 CG ASP A 113 -11.498 -3.526 0.391 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -11.181 -2.464 -0.184 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -11.299 -4.657 -0.099 1.00 0.00 O ATOM 0 H ASP A 113 -10.934 -4.847 4.195 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.330 -2.603 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.720 -4.354 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.875 -2.618 1.756 1.00 0.00 H new ATOM 1734 N GLN A 114 -11.173 -1.452 4.533 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.704 -0.685 5.653 1.00 0.00 C ATOM 1736 C GLN A 114 -13.196 -0.423 5.476 1.00 0.00 C ATOM 1737 O GLN A 114 -13.933 -0.285 6.453 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.955 0.642 5.791 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.551 1.572 6.835 1.00 0.00 C ATOM 1740 CD GLN A 114 -11.137 1.208 8.246 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -11.283 0.062 8.672 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.615 2.183 8.981 1.00 0.00 N ATOM 0 H GLN A 114 -10.288 -1.103 4.164 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.562 -1.271 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.916 0.438 6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.950 1.149 4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -11.242 2.596 6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -12.638 1.545 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -10.512 3.119 8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -10.317 1.996 9.938 1.00 0.00 H new