USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 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 19 THR OG1 : rot 78:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc=0.000739 USER MOD Set 1.3: A 49 GLN : amide:sc= -2.27 K(o=-2.3,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -151:sc= -0.262 (180deg=-2.72!) USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= 1.3 (180deg=-0.147) USER MOD Single : A 33 CYS SG : rot 130:sc= -1.02 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0783 K(o=-0.078,f=-2.1!) USER MOD Single : A 43 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.9!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.227 K(o=-0.23,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0094 K(o=-0.0094,f=-0.99) USER MOD Single : A 56 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=-0.024) USER MOD Single : A 58 GLN : amide:sc= -3.38! K(o=-3.4!,f=-0.3) USER MOD Single : A 64 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.776 USER MOD Single : A 71 GLN : amide:sc= -3.04! C(o=-3!,f=-5.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -9.75! C(o=-9.7!,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.7!) USER MOD Single : A 108 HIS : no HE2:sc= -0.723 K(o=-0.72,f=-0.22) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -76:sc= -0.242 USER MOD Single : A 120 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.395 K(o=-0.4,f=-3.9!) USER MOD Single : A 124 SER OG : rot -54:sc= 0.372 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.133 2.397 15.226 1.00 1.00 N ATOM 108 CA PRO A 9 -0.974 3.222 14.760 1.00 1.00 C ATOM 109 C PRO A 9 -1.352 4.118 13.582 1.00 1.00 C ATOM 110 O PRO A 9 -0.794 5.199 13.404 1.00 1.00 O ATOM 111 CB PRO A 9 0.081 2.173 14.346 1.00 1.00 C ATOM 112 CG PRO A 9 -0.689 0.911 14.118 1.00 1.00 C ATOM 113 CD PRO A 9 -1.862 0.958 15.092 1.00 1.00 C ATOM 0 HA PRO A 9 -0.615 3.904 15.531 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.609 2.481 13.443 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.832 2.041 15.125 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.039 0.847 13.088 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.066 0.035 14.298 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.728 0.420 14.705 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.607 0.506 16.050 1.00 1.00 H new ATOM 121 N LEU A 10 -2.299 3.652 12.783 1.00 1.00 N ATOM 122 CA LEU A 10 -2.737 4.413 11.620 1.00 1.00 C ATOM 123 C LEU A 10 -3.150 5.832 12.047 1.00 1.00 C ATOM 124 O LEU A 10 -3.681 6.007 13.145 1.00 1.00 O ATOM 125 CB LEU A 10 -3.922 3.697 10.952 1.00 1.00 C ATOM 126 CG LEU A 10 -3.418 2.545 10.057 1.00 1.00 C ATOM 127 CD1 LEU A 10 -2.663 3.086 8.824 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.498 1.638 10.882 1.00 1.00 C ATOM 0 H LEU A 10 -2.776 2.760 12.915 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.916 4.486 10.907 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.596 3.306 11.714 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -4.494 4.407 10.355 1.00 1.00 H new ATOM 0 HG LEU A 10 -4.276 1.977 9.698 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.320 2.252 8.212 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -3.330 3.716 8.236 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -1.805 3.673 9.151 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.137 0.821 10.257 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -1.650 2.217 11.248 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -3.052 1.231 11.728 1.00 1.00 H new ATOM 140 N PRO A 11 -2.942 6.848 11.226 1.00 1.00 N ATOM 141 CA PRO A 11 -3.342 8.238 11.602 1.00 1.00 C ATOM 142 C PRO A 11 -4.820 8.313 11.976 1.00 1.00 C ATOM 143 O PRO A 11 -5.655 7.615 11.402 1.00 1.00 O ATOM 144 CB PRO A 11 -3.051 9.075 10.343 1.00 1.00 C ATOM 145 CG PRO A 11 -2.043 8.288 9.575 1.00 1.00 C ATOM 146 CD PRO A 11 -2.311 6.812 9.888 1.00 1.00 C ATOM 0 HA PRO A 11 -2.799 8.596 12.477 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.957 9.233 9.757 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.665 10.060 10.605 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.134 8.480 8.506 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.030 8.568 9.864 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.969 6.358 9.147 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.389 6.230 9.895 1.00 1.00 H new ATOM 154 N VAL A 12 -5.120 9.156 12.951 1.00 1.00 N ATOM 155 CA VAL A 12 -6.489 9.315 13.419 1.00 1.00 C ATOM 156 C VAL A 12 -7.383 9.877 12.316 1.00 1.00 C ATOM 157 O VAL A 12 -8.495 9.395 12.101 1.00 1.00 O ATOM 158 CB VAL A 12 -6.514 10.247 14.634 1.00 1.00 C ATOM 159 CG1 VAL A 12 -7.961 10.507 15.057 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.755 9.595 15.792 1.00 1.00 C ATOM 0 H VAL A 12 -4.436 9.740 13.433 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.872 8.335 13.702 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.040 11.193 14.372 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.974 11.170 15.922 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.503 10.973 14.234 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.439 9.563 15.317 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.772 10.258 16.657 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.229 8.648 16.051 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.722 9.414 15.494 1.00 1.00 H new ATOM 170 N GLY A 13 -6.891 10.898 11.625 1.00 1.00 N ATOM 171 CA GLY A 13 -7.653 11.521 10.549 1.00 1.00 C ATOM 172 C GLY A 13 -7.840 10.561 9.381 1.00 1.00 C ATOM 173 O GLY A 13 -8.818 10.654 8.637 1.00 1.00 O ATOM 0 H GLY A 13 -5.973 11.311 11.789 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.627 11.836 10.924 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.138 12.419 10.207 1.00 1.00 H new ATOM 177 N ALA A 14 -6.890 9.650 9.217 1.00 1.00 N ATOM 178 CA ALA A 14 -6.953 8.684 8.127 1.00 1.00 C ATOM 179 C ALA A 14 -8.098 7.701 8.335 1.00 1.00 C ATOM 180 O ALA A 14 -8.427 7.343 9.465 1.00 1.00 O ATOM 181 CB ALA A 14 -5.638 7.912 8.030 1.00 1.00 C ATOM 0 H ALA A 14 -6.072 9.559 9.820 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.125 9.234 7.202 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.697 7.194 7.212 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.820 8.608 7.843 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.457 7.383 8.966 1.00 1.00 H new ATOM 187 N GLN A 15 -8.686 7.253 7.225 1.00 1.00 N ATOM 188 CA GLN A 15 -9.790 6.287 7.258 1.00 1.00 C ATOM 189 C GLN A 15 -9.371 5.013 6.533 1.00 1.00 C ATOM 190 O GLN A 15 -9.717 4.824 5.368 1.00 1.00 O ATOM 191 CB GLN A 15 -11.016 6.872 6.538 1.00 1.00 C ATOM 192 CG GLN A 15 -11.374 8.255 7.106 1.00 1.00 C ATOM 193 CD GLN A 15 -12.211 8.106 8.372 1.00 1.00 C ATOM 194 OE1 GLN A 15 -11.812 8.575 9.439 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.358 7.482 8.318 1.00 1.00 N ATOM 0 H GLN A 15 -8.416 7.545 6.286 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.037 6.069 8.297 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.812 6.954 5.470 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.865 6.197 6.649 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.463 8.812 7.327 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.926 8.829 6.362 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.687 7.094 7.434 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.925 7.383 9.160 1.00 1.00 H new ATOM 204 N PRO A 16 -8.629 4.146 7.178 1.00 1.00 N ATOM 205 CA PRO A 16 -8.149 2.883 6.543 1.00 1.00 C ATOM 206 C PRO A 16 -9.267 2.110 5.853 1.00 1.00 C ATOM 207 O PRO A 16 -10.014 1.366 6.492 1.00 1.00 O ATOM 208 CB PRO A 16 -7.549 2.093 7.715 1.00 1.00 C ATOM 209 CG PRO A 16 -7.125 3.142 8.687 1.00 1.00 C ATOM 210 CD PRO A 16 -8.168 4.259 8.573 1.00 1.00 C ATOM 0 HA PRO A 16 -7.430 3.073 5.746 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.281 1.416 8.155 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.704 1.484 7.393 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -7.087 2.744 9.701 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -6.127 3.513 8.453 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -8.986 4.120 9.280 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.734 5.238 8.776 1.00 1.00 H new ATOM 218 N LEU A 17 -9.362 2.292 4.543 1.00 1.00 N ATOM 219 CA LEU A 17 -10.379 1.606 3.755 1.00 1.00 C ATOM 220 C LEU A 17 -10.120 0.112 3.771 1.00 1.00 C ATOM 221 O LEU A 17 -11.044 -0.695 3.869 1.00 1.00 O ATOM 222 CB LEU A 17 -10.336 2.083 2.302 1.00 1.00 C ATOM 223 CG LEU A 17 -10.673 3.572 2.218 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.553 4.030 0.756 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.104 3.830 2.729 1.00 1.00 C ATOM 0 H LEU A 17 -8.751 2.906 4.005 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.354 1.827 4.189 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.346 1.904 1.883 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.044 1.509 1.703 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.977 4.133 2.842 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.792 5.091 0.686 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.535 3.863 0.405 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.247 3.461 0.138 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.328 4.895 2.662 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.814 3.271 2.120 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.183 3.507 3.767 1.00 1.00 H new ATOM 237 N ALA A 18 -8.846 -0.238 3.651 1.00 1.00 N ATOM 238 CA ALA A 18 -8.436 -1.637 3.631 1.00 1.00 C ATOM 239 C ALA A 18 -7.022 -1.779 4.177 1.00 1.00 C ATOM 240 O ALA A 18 -6.202 -0.877 4.031 1.00 1.00 O ATOM 241 CB ALA A 18 -8.482 -2.169 2.195 1.00 1.00 C ATOM 0 H ALA A 18 -8.078 0.428 3.566 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.120 -2.211 4.256 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.175 -3.215 2.184 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.498 -2.085 1.808 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.806 -1.586 1.569 1.00 1.00 H new ATOM 247 N THR A 19 -6.739 -2.920 4.805 1.00 1.00 N ATOM 248 CA THR A 19 -5.411 -3.169 5.368 1.00 1.00 C ATOM 249 C THR A 19 -4.970 -4.599 5.089 1.00 1.00 C ATOM 250 O THR A 19 -5.757 -5.538 5.216 1.00 1.00 O ATOM 251 CB THR A 19 -5.427 -2.904 6.875 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.212 -3.363 7.449 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.608 -3.631 7.517 1.00 1.00 C ATOM 0 H THR A 19 -7.405 -3.681 4.936 1.00 1.00 H new ATOM 0 HA THR A 19 -4.699 -2.493 4.895 1.00 1.00 H new ATOM 0 HB THR A 19 -5.530 -1.833 7.052 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.498 -2.718 7.263 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.614 -3.439 8.590 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.539 -3.271 7.079 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.515 -4.703 7.341 1.00 1.00 H new ATOM 261 N VAL A 20 -3.707 -4.756 4.689 1.00 1.00 N ATOM 262 CA VAL A 20 -3.171 -6.080 4.372 1.00 1.00 C ATOM 263 C VAL A 20 -1.708 -6.196 4.775 1.00 1.00 C ATOM 264 O VAL A 20 -0.968 -5.214 4.767 1.00 1.00 O ATOM 265 CB VAL A 20 -3.303 -6.331 2.869 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.763 -5.118 2.111 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.515 -7.593 2.461 1.00 1.00 C ATOM 0 H VAL A 20 -3.042 -3.991 4.578 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.739 -6.823 4.932 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.354 -6.485 2.623 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.854 -5.289 1.038 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.335 -4.232 2.387 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.714 -4.966 2.367 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.620 -7.757 1.388 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.461 -7.459 2.706 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.906 -8.456 3.000 1.00 1.00 H new ATOM 277 N GLU A 21 -1.292 -7.421 5.098 1.00 1.00 N ATOM 278 CA GLU A 21 0.093 -7.684 5.474 1.00 1.00 C ATOM 279 C GLU A 21 0.861 -8.197 4.266 1.00 1.00 C ATOM 280 O GLU A 21 0.358 -9.017 3.497 1.00 1.00 O ATOM 281 CB GLU A 21 0.154 -8.712 6.610 1.00 1.00 C ATOM 282 CG GLU A 21 -0.461 -10.039 6.156 1.00 1.00 C ATOM 283 CD GLU A 21 -0.476 -11.028 7.318 1.00 1.00 C ATOM 284 OE1 GLU A 21 -0.830 -10.621 8.413 1.00 1.00 O ATOM 285 OE2 GLU A 21 -0.134 -12.179 7.096 1.00 1.00 O ATOM 0 H GLU A 21 -1.895 -8.244 5.106 1.00 1.00 H new ATOM 0 HA GLU A 21 0.546 -6.756 5.823 1.00 1.00 H new ATOM 0 HB2 GLU A 21 1.189 -8.868 6.914 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.381 -8.334 7.481 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -1.476 -9.875 5.794 1.00 1.00 H new ATOM 0 HG3 GLU A 21 0.112 -10.450 5.325 1.00 1.00 H new ATOM 292 N GLY A 22 2.078 -7.704 4.093 1.00 1.00 N ATOM 293 CA GLY A 22 2.904 -8.115 2.965 1.00 1.00 C ATOM 294 C GLY A 22 4.377 -8.035 3.323 1.00 1.00 C ATOM 295 O GLY A 22 4.734 -7.872 4.490 1.00 1.00 O ATOM 0 H GLY A 22 2.515 -7.023 4.714 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.650 -9.134 2.674 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.698 -7.477 2.105 1.00 1.00 H new ATOM 299 N MET A 23 5.231 -8.155 2.312 1.00 1.00 N ATOM 300 CA MET A 23 6.679 -8.100 2.519 1.00 1.00 C ATOM 301 C MET A 23 7.313 -7.077 1.586 1.00 1.00 C ATOM 302 O MET A 23 7.062 -7.078 0.382 1.00 1.00 O ATOM 303 CB MET A 23 7.286 -9.483 2.263 1.00 1.00 C ATOM 304 CG MET A 23 6.656 -10.505 3.217 1.00 1.00 C ATOM 305 SD MET A 23 5.037 -11.002 2.574 1.00 1.00 S ATOM 306 CE MET A 23 4.292 -11.468 4.156 1.00 1.00 C ATOM 0 H MET A 23 4.949 -8.291 1.341 1.00 1.00 H new ATOM 0 HA MET A 23 6.876 -7.800 3.548 1.00 1.00 H new ATOM 0 HB2 MET A 23 7.114 -9.781 1.229 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.366 -9.450 2.410 1.00 1.00 H new ATOM 0 HG2 MET A 23 7.304 -11.376 3.316 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.548 -10.073 4.212 1.00 1.00 H new ATOM 0 HE1 MET A 23 3.271 -11.812 3.990 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.875 -12.269 4.611 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.281 -10.605 4.821 1.00 1.00 H new ATOM 316 N GLU A 24 8.142 -6.203 2.153 1.00 1.00 N ATOM 317 CA GLU A 24 8.820 -5.166 1.371 1.00 1.00 C ATOM 318 C GLU A 24 10.193 -5.650 0.922 1.00 1.00 C ATOM 319 O GLU A 24 11.041 -5.993 1.744 1.00 1.00 O ATOM 320 CB GLU A 24 8.965 -3.902 2.222 1.00 1.00 C ATOM 321 CG GLU A 24 9.677 -2.803 1.427 1.00 1.00 C ATOM 322 CD GLU A 24 9.731 -1.523 2.253 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.016 -1.445 3.239 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.486 -0.638 1.889 1.00 1.00 O ATOM 0 H GLU A 24 8.362 -6.190 3.149 1.00 1.00 H new ATOM 0 HA GLU A 24 8.226 -4.943 0.485 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.982 -3.553 2.537 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.528 -4.128 3.127 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.686 -3.123 1.169 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.151 -2.620 0.490 1.00 1.00 H new ATOM 331 N MET A 25 10.405 -5.679 -0.394 1.00 1.00 N ATOM 332 CA MET A 25 11.682 -6.127 -0.957 1.00 1.00 C ATOM 333 C MET A 25 12.465 -4.946 -1.517 1.00 1.00 C ATOM 334 O MET A 25 11.911 -4.092 -2.207 1.00 1.00 O ATOM 335 CB MET A 25 11.430 -7.132 -2.089 1.00 1.00 C ATOM 336 CG MET A 25 10.787 -8.398 -1.537 1.00 1.00 C ATOM 337 SD MET A 25 10.387 -9.509 -2.912 1.00 1.00 S ATOM 338 CE MET A 25 9.055 -8.520 -3.650 1.00 1.00 C ATOM 0 H MET A 25 9.713 -5.399 -1.089 1.00 1.00 H new ATOM 0 HA MET A 25 12.258 -6.598 -0.160 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.782 -6.686 -2.843 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.370 -7.379 -2.582 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.465 -8.891 -0.840 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.884 -8.149 -0.980 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.346 -9.180 -4.149 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.542 -7.960 -2.868 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.477 -7.825 -4.376 1.00 1.00 H new ATOM 348 N LYS A 26 13.762 -4.909 -1.234 1.00 1.00 N ATOM 349 CA LYS A 26 14.621 -3.838 -1.736 1.00 1.00 C ATOM 350 C LYS A 26 15.990 -4.396 -2.097 1.00 1.00 C ATOM 351 O LYS A 26 16.460 -5.362 -1.497 1.00 1.00 O ATOM 352 CB LYS A 26 14.780 -2.732 -0.695 1.00 1.00 C ATOM 353 CG LYS A 26 13.433 -2.047 -0.467 1.00 1.00 C ATOM 354 CD LYS A 26 13.590 -0.912 0.556 1.00 1.00 C ATOM 355 CE LYS A 26 13.808 -1.482 1.964 1.00 1.00 C ATOM 356 NZ LYS A 26 13.527 -0.420 2.975 1.00 1.00 N ATOM 0 H LYS A 26 14.242 -5.604 -0.662 1.00 1.00 H new ATOM 0 HA LYS A 26 14.152 -3.415 -2.624 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.150 -3.150 0.241 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.517 -2.004 -1.033 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.053 -1.650 -1.408 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.702 -2.772 -0.109 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.433 -0.279 0.279 1.00 1.00 H new ATOM 0 HD3 LYS A 26 12.701 -0.281 0.547 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.154 -2.338 2.128 1.00 1.00 H new ATOM 0 HE3 LYS A 26 14.832 -1.839 2.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 14.365 -0.282 3.575 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.299 0.471 2.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 12.721 -0.708 3.566 1.00 1.00 H new ATOM 370 N GLY A 27 16.621 -3.779 -3.083 1.00 1.00 N ATOM 371 CA GLY A 27 17.939 -4.206 -3.536 1.00 1.00 C ATOM 372 C GLY A 27 18.838 -4.675 -2.386 1.00 1.00 C ATOM 373 O GLY A 27 19.233 -5.840 -2.339 1.00 1.00 O ATOM 0 H GLY A 27 16.242 -2.978 -3.588 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.826 -5.016 -4.257 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.424 -3.381 -4.057 1.00 1.00 H new ATOM 377 N PRO A 28 19.203 -3.788 -1.490 1.00 1.00 N ATOM 378 CA PRO A 28 20.118 -4.119 -0.345 1.00 1.00 C ATOM 379 C PRO A 28 19.581 -5.212 0.593 1.00 1.00 C ATOM 380 O PRO A 28 20.360 -5.987 1.146 1.00 1.00 O ATOM 381 CB PRO A 28 20.291 -2.766 0.384 1.00 1.00 C ATOM 382 CG PRO A 28 19.115 -1.942 -0.036 1.00 1.00 C ATOM 383 CD PRO A 28 18.788 -2.376 -1.460 1.00 1.00 C ATOM 0 HA PRO A 28 21.057 -4.545 -0.699 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.311 -2.901 1.465 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.229 -2.285 0.105 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.266 -2.107 0.627 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.349 -0.878 0.004 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.726 -2.264 -1.680 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.330 -1.782 -2.196 1.00 1.00 H new ATOM 391 N LEU A 29 18.261 -5.279 0.768 1.00 1.00 N ATOM 392 CA LEU A 29 17.662 -6.298 1.642 1.00 1.00 C ATOM 393 C LEU A 29 16.145 -6.144 1.685 1.00 1.00 C ATOM 394 O LEU A 29 15.599 -5.226 1.087 1.00 1.00 O ATOM 395 CB LEU A 29 18.229 -6.197 3.074 1.00 1.00 C ATOM 396 CG LEU A 29 18.310 -4.730 3.544 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.908 -4.109 3.620 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.962 -4.688 4.933 1.00 1.00 C ATOM 0 H LEU A 29 17.591 -4.651 0.325 1.00 1.00 H new ATOM 0 HA LEU A 29 17.912 -7.276 1.231 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.599 -6.766 3.758 1.00 1.00 H new ATOM 0 HB3 LEU A 29 19.221 -6.647 3.107 1.00 1.00 H new ATOM 0 HG LEU A 29 18.904 -4.160 2.830 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.986 -3.074 3.953 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.443 -4.139 2.635 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.298 -4.673 4.326 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.024 -3.655 5.275 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.361 -5.267 5.635 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.964 -5.113 4.877 1.00 1.00 H new ATOM 410 N ARG A 30 15.459 -7.047 2.402 1.00 1.00 N ATOM 411 CA ARG A 30 14.001 -6.982 2.520 1.00 1.00 C ATOM 412 C ARG A 30 13.592 -6.893 3.989 1.00 1.00 C ATOM 413 O ARG A 30 14.413 -7.076 4.888 1.00 1.00 O ATOM 414 CB ARG A 30 13.354 -8.206 1.868 1.00 1.00 C ATOM 415 CG ARG A 30 13.841 -9.487 2.543 1.00 1.00 C ATOM 416 CD ARG A 30 13.057 -10.664 1.978 1.00 1.00 C ATOM 417 NE ARG A 30 13.341 -10.837 0.555 1.00 1.00 N ATOM 418 CZ ARG A 30 12.664 -11.712 -0.189 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.786 -12.509 0.362 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.892 -11.788 -1.472 1.00 1.00 N ATOM 0 H ARG A 30 15.890 -7.824 2.904 1.00 1.00 H new ATOM 0 HA ARG A 30 13.654 -6.088 2.002 1.00 1.00 H new ATOM 0 HB2 ARG A 30 12.269 -8.136 1.945 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.597 -8.232 0.806 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.908 -9.625 2.368 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.701 -9.423 3.622 1.00 1.00 H new ATOM 0 HD2 ARG A 30 13.317 -11.574 2.519 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.989 -10.500 2.124 1.00 1.00 H new ATOM 0 HE ARG A 30 14.074 -10.276 0.121 1.00 1.00 H new ATOM 0 HH11 ARG A 30 11.616 -12.464 1.367 1.00 1.00 H new ATOM 0 HH12 ARG A 30 11.271 -13.176 -0.213 1.00 1.00 H new ATOM 0 HH21 ARG A 30 13.587 -11.179 -1.903 1.00 1.00 H new ATOM 0 HH22 ARG A 30 12.375 -12.457 -2.043 1.00 1.00 H new ATOM 434 N GLU A 31 12.319 -6.599 4.219 1.00 1.00 N ATOM 435 CA GLU A 31 11.795 -6.468 5.573 1.00 1.00 C ATOM 436 C GLU A 31 10.270 -6.589 5.542 1.00 1.00 C ATOM 437 O GLU A 31 9.639 -6.119 4.596 1.00 1.00 O ATOM 438 CB GLU A 31 12.189 -5.096 6.142 1.00 1.00 C ATOM 439 CG GLU A 31 11.577 -3.980 5.277 1.00 1.00 C ATOM 440 CD GLU A 31 12.317 -2.661 5.496 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.177 -2.621 6.359 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.010 -1.708 4.796 1.00 1.00 O ATOM 0 H GLU A 31 11.629 -6.446 3.484 1.00 1.00 H new ATOM 0 HA GLU A 31 12.209 -7.255 6.203 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.840 -5.005 7.171 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.274 -4.999 6.164 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.626 -4.260 4.225 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.523 -3.857 5.525 1.00 1.00 H new ATOM 449 N PRO A 32 9.653 -7.193 6.531 1.00 1.00 N ATOM 450 CA PRO A 32 8.171 -7.338 6.546 1.00 1.00 C ATOM 451 C PRO A 32 7.489 -5.973 6.584 1.00 1.00 C ATOM 452 O PRO A 32 7.996 -5.030 7.192 1.00 1.00 O ATOM 453 CB PRO A 32 7.882 -8.168 7.808 1.00 1.00 C ATOM 454 CG PRO A 32 9.088 -7.993 8.677 1.00 1.00 C ATOM 455 CD PRO A 32 10.271 -7.793 7.728 1.00 1.00 C ATOM 0 HA PRO A 32 7.784 -7.823 5.650 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.980 -7.819 8.311 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.723 -9.218 7.561 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.970 -7.135 9.339 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.241 -8.866 9.311 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.027 -7.138 8.161 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.763 -8.737 7.495 1.00 1.00 H new ATOM 463 N CYS A 33 6.346 -5.873 5.914 1.00 1.00 N ATOM 464 CA CYS A 33 5.608 -4.616 5.858 1.00 1.00 C ATOM 465 C CYS A 33 4.124 -4.876 5.624 1.00 1.00 C ATOM 466 O CYS A 33 3.692 -6.023 5.533 1.00 1.00 O ATOM 467 CB CYS A 33 6.178 -3.750 4.728 1.00 1.00 C ATOM 468 SG CYS A 33 5.467 -4.246 3.136 1.00 1.00 S ATOM 0 H CYS A 33 5.912 -6.643 5.405 1.00 1.00 H new ATOM 0 HA CYS A 33 5.715 -4.094 6.809 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.960 -2.700 4.920 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.263 -3.849 4.696 1.00 1.00 H new ATOM 0 HG CYS A 33 5.023 -3.195 2.513 1.00 1.00 H new ATOM 474 N ALA A 34 3.348 -3.803 5.515 1.00 1.00 N ATOM 475 CA ALA A 34 1.911 -3.924 5.275 1.00 1.00 C ATOM 476 C ALA A 34 1.406 -2.721 4.490 1.00 1.00 C ATOM 477 O ALA A 34 1.863 -1.596 4.696 1.00 1.00 O ATOM 478 CB ALA A 34 1.158 -4.027 6.600 1.00 1.00 C ATOM 0 H ALA A 34 3.686 -2.843 5.588 1.00 1.00 H new ATOM 0 HA ALA A 34 1.733 -4.829 4.695 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.089 -4.117 6.405 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.502 -4.905 7.147 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.345 -3.133 7.195 1.00 1.00 H new ATOM 484 N LEU A 35 0.459 -2.966 3.588 1.00 1.00 N ATOM 485 CA LEU A 35 -0.109 -1.896 2.769 1.00 1.00 C ATOM 486 C LEU A 35 -1.514 -1.565 3.252 1.00 1.00 C ATOM 487 O LEU A 35 -2.387 -2.432 3.276 1.00 1.00 O ATOM 488 CB LEU A 35 -0.164 -2.344 1.306 1.00 1.00 C ATOM 489 CG LEU A 35 1.209 -2.873 0.871 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.136 -3.350 -0.584 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.255 -1.756 0.986 1.00 1.00 C ATOM 0 H LEU A 35 0.070 -3.891 3.405 1.00 1.00 H new ATOM 0 HA LEU A 35 0.518 -1.009 2.855 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.919 -3.121 1.182 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.459 -1.508 0.671 1.00 1.00 H new ATOM 0 HG LEU A 35 1.494 -3.704 1.516 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.111 -3.726 -0.893 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.397 -4.146 -0.669 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.848 -2.517 -1.226 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.229 -2.136 0.676 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.970 -0.923 0.344 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.311 -1.415 2.020 1.00 1.00 H new ATOM 503 N THR A 36 -1.727 -0.308 3.649 1.00 1.00 N ATOM 504 CA THR A 36 -3.038 0.119 4.145 1.00 1.00 C ATOM 505 C THR A 36 -3.537 1.352 3.408 1.00 1.00 C ATOM 506 O THR A 36 -2.960 2.434 3.511 1.00 1.00 O ATOM 507 CB THR A 36 -2.949 0.414 5.645 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.507 -0.751 6.329 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.329 0.816 6.170 1.00 1.00 C ATOM 0 H THR A 36 -1.018 0.425 3.637 1.00 1.00 H new ATOM 0 HA THR A 36 -3.747 -0.689 3.967 1.00 1.00 H new ATOM 0 HB THR A 36 -2.244 1.228 5.814 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.448 -0.564 7.289 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.265 1.026 7.238 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.673 1.707 5.645 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.034 0.002 6.002 1.00 1.00 H new ATOM 517 N LEU A 37 -4.637 1.177 2.682 1.00 1.00 N ATOM 518 CA LEU A 37 -5.245 2.274 1.940 1.00 1.00 C ATOM 519 C LEU A 37 -6.220 3.010 2.850 1.00 1.00 C ATOM 520 O LEU A 37 -7.071 2.390 3.487 1.00 1.00 O ATOM 521 CB LEU A 37 -5.978 1.725 0.711 1.00 1.00 C ATOM 522 CG LEU A 37 -6.643 2.864 -0.081 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.575 3.830 -0.617 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.440 2.265 -1.253 1.00 1.00 C ATOM 0 H LEU A 37 -5.125 0.286 2.592 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.472 2.966 1.604 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.275 1.192 0.070 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.733 1.004 1.024 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.315 3.416 0.576 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.057 4.632 -1.176 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.016 4.254 0.217 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.893 3.290 -1.273 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.914 3.067 -1.818 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.766 1.710 -1.906 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.206 1.592 -0.866 1.00 1.00 H new ATOM 536 N ALA A 38 -6.087 4.333 2.925 1.00 1.00 N ATOM 537 CA ALA A 38 -6.961 5.129 3.784 1.00 1.00 C ATOM 538 C ALA A 38 -7.408 6.411 3.089 1.00 1.00 C ATOM 539 O ALA A 38 -6.648 7.027 2.343 1.00 1.00 O ATOM 540 CB ALA A 38 -6.217 5.475 5.080 1.00 1.00 C ATOM 0 H ALA A 38 -5.391 4.871 2.408 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.851 4.541 4.008 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.865 6.069 5.724 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.937 4.556 5.595 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.319 6.046 4.843 1.00 1.00 H new ATOM 546 N GLN A 39 -8.647 6.811 3.355 1.00 1.00 N ATOM 547 CA GLN A 39 -9.208 8.030 2.772 1.00 1.00 C ATOM 548 C GLN A 39 -9.112 9.171 3.783 1.00 1.00 C ATOM 549 O GLN A 39 -9.659 9.074 4.879 1.00 1.00 O ATOM 550 CB GLN A 39 -10.681 7.792 2.404 1.00 1.00 C ATOM 551 CG GLN A 39 -11.315 9.066 1.831 1.00 1.00 C ATOM 552 CD GLN A 39 -12.795 8.819 1.573 1.00 1.00 C ATOM 553 OE1 GLN A 39 -13.154 7.964 0.764 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.681 9.501 2.242 1.00 1.00 N ATOM 0 H GLN A 39 -9.285 6.309 3.972 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.648 8.294 1.875 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.752 6.986 1.674 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.233 7.472 3.287 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -11.189 9.894 2.528 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.815 9.350 0.905 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.380 10.209 2.912 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.675 9.327 2.096 1.00 1.00 H new ATOM 563 N ARG A 40 -8.423 10.254 3.415 1.00 1.00 N ATOM 564 CA ARG A 40 -8.278 11.403 4.316 1.00 1.00 C ATOM 565 C ARG A 40 -8.543 12.715 3.576 1.00 1.00 C ATOM 566 O ARG A 40 -8.046 12.929 2.471 1.00 1.00 O ATOM 567 CB ARG A 40 -6.871 11.415 4.919 1.00 1.00 C ATOM 568 CG ARG A 40 -6.826 12.393 6.096 1.00 1.00 C ATOM 569 CD ARG A 40 -5.466 12.301 6.797 1.00 1.00 C ATOM 570 NE ARG A 40 -4.396 12.725 5.901 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.116 12.605 6.250 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.793 12.071 7.398 1.00 1.00 N ATOM 573 NH2 ARG A 40 -2.182 13.018 5.438 1.00 1.00 N ATOM 0 H ARG A 40 -7.962 10.361 2.512 1.00 1.00 H new ATOM 0 HA ARG A 40 -9.013 11.309 5.116 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.599 10.414 5.254 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -6.142 11.707 4.162 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.995 13.410 5.742 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.625 12.164 6.801 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.468 12.926 7.690 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.288 11.277 7.125 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.632 13.120 4.991 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.522 11.744 8.031 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.811 11.981 7.661 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.433 13.431 4.540 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -1.201 12.928 5.701 1.00 1.00 H new ATOM 587 N ASN A 41 -9.334 13.583 4.205 1.00 1.00 N ATOM 588 CA ASN A 41 -9.680 14.881 3.626 1.00 1.00 C ATOM 589 C ASN A 41 -10.364 14.732 2.267 1.00 1.00 C ATOM 590 O ASN A 41 -10.200 15.579 1.388 1.00 1.00 O ATOM 591 CB ASN A 41 -8.424 15.750 3.477 1.00 1.00 C ATOM 592 CG ASN A 41 -7.955 16.218 4.851 1.00 1.00 C ATOM 593 OD1 ASN A 41 -8.716 16.169 5.817 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.741 16.675 4.997 1.00 1.00 N ATOM 0 H ASN A 41 -9.749 13.410 5.120 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.381 15.364 4.307 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.633 15.182 2.987 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.639 16.610 2.843 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -6.422 16.992 5.913 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -6.111 16.715 4.196 1.00 1.00 H new ATOM 601 N GLY A 42 -11.147 13.667 2.102 1.00 1.00 N ATOM 602 CA GLY A 42 -11.857 13.452 0.842 1.00 1.00 C ATOM 603 C GLY A 42 -10.890 13.049 -0.264 1.00 1.00 C ATOM 604 O GLY A 42 -11.182 13.201 -1.451 1.00 1.00 O ATOM 0 H GLY A 42 -11.305 12.951 2.811 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.611 12.676 0.972 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.384 14.363 0.556 1.00 1.00 H new ATOM 608 N GLN A 43 -9.734 12.541 0.143 1.00 1.00 N ATOM 609 CA GLN A 43 -8.696 12.115 -0.792 1.00 1.00 C ATOM 610 C GLN A 43 -8.206 10.724 -0.417 1.00 1.00 C ATOM 611 O GLN A 43 -8.403 10.275 0.707 1.00 1.00 O ATOM 612 CB GLN A 43 -7.538 13.121 -0.741 1.00 1.00 C ATOM 613 CG GLN A 43 -6.328 12.580 -1.502 1.00 1.00 C ATOM 614 CD GLN A 43 -5.279 13.676 -1.642 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.581 14.855 -1.453 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.058 13.358 -1.964 1.00 1.00 N ATOM 0 H GLN A 43 -9.488 12.412 1.125 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.099 12.079 -1.804 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.853 14.070 -1.174 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.265 13.319 0.296 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.906 11.725 -0.974 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.633 12.227 -2.487 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.810 12.381 -2.120 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.350 14.086 -2.060 1.00 1.00 H new ATOM 625 N TYR A 44 -7.560 10.046 -1.363 1.00 1.00 N ATOM 626 CA TYR A 44 -7.039 8.699 -1.115 1.00 1.00 C ATOM 627 C TYR A 44 -5.529 8.754 -0.905 1.00 1.00 C ATOM 628 O TYR A 44 -4.819 9.456 -1.625 1.00 1.00 O ATOM 629 CB TYR A 44 -7.348 7.790 -2.309 1.00 1.00 C ATOM 630 CG TYR A 44 -8.841 7.685 -2.497 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.567 6.695 -1.825 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.500 8.579 -3.349 1.00 1.00 C ATOM 633 CE1 TYR A 44 -10.950 6.599 -2.006 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.884 8.482 -3.529 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.609 7.492 -2.857 1.00 1.00 C ATOM 636 OH TYR A 44 -12.974 7.398 -3.034 1.00 1.00 O ATOM 0 H TYR A 44 -7.384 10.402 -2.303 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.516 8.300 -0.220 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -6.886 8.190 -3.212 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.922 6.800 -2.144 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.059 6.006 -1.167 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.940 9.343 -3.867 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.510 5.834 -1.488 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.393 9.171 -4.187 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.272 8.094 -3.656 1.00 1.00 H new ATOM 646 N GLU A 45 -5.039 8.010 0.085 1.00 1.00 N ATOM 647 CA GLU A 45 -3.605 7.979 0.374 1.00 1.00 C ATOM 648 C GLU A 45 -3.190 6.591 0.852 1.00 1.00 C ATOM 649 O GLU A 45 -3.943 5.908 1.546 1.00 1.00 O ATOM 650 CB GLU A 45 -3.252 9.043 1.426 1.00 1.00 C ATOM 651 CG GLU A 45 -3.896 8.701 2.772 1.00 1.00 C ATOM 652 CD GLU A 45 -3.579 9.794 3.788 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.785 10.663 3.466 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.141 9.752 4.869 1.00 1.00 O ATOM 0 H GLU A 45 -5.608 7.425 0.697 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.058 8.204 -0.541 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.170 9.106 1.540 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.594 10.022 1.091 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.975 8.602 2.655 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.525 7.740 3.130 1.00 1.00 H new ATOM 661 N LEU A 46 -1.985 6.179 0.461 1.00 1.00 N ATOM 662 CA LEU A 46 -1.452 4.864 0.830 1.00 1.00 C ATOM 663 C LEU A 46 -0.398 4.999 1.925 1.00 1.00 C ATOM 664 O LEU A 46 0.540 5.786 1.804 1.00 1.00 O ATOM 665 CB LEU A 46 -0.829 4.203 -0.410 1.00 1.00 C ATOM 666 CG LEU A 46 -0.183 2.859 -0.045 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.208 1.944 0.645 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.323 2.183 -1.325 1.00 1.00 C ATOM 0 H LEU A 46 -1.355 6.738 -0.114 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.266 4.247 1.209 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.596 4.049 -1.169 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.080 4.866 -0.843 1.00 1.00 H new ATOM 0 HG LEU A 46 0.647 3.035 0.639 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.736 0.995 0.898 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.569 2.423 1.555 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.046 1.764 -0.028 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.783 1.227 -1.074 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.514 2.016 -2.003 1.00 1.00 H new ATOM 0 HD23 LEU A 46 1.059 2.825 -1.809 1.00 1.00 H new ATOM 680 N ILE A 47 -0.558 4.219 2.995 1.00 1.00 N ATOM 681 CA ILE A 47 0.388 4.245 4.114 1.00 1.00 C ATOM 682 C ILE A 47 1.184 2.948 4.167 1.00 1.00 C ATOM 683 O ILE A 47 0.609 1.858 4.154 1.00 1.00 O ATOM 684 CB ILE A 47 -0.359 4.416 5.435 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.129 5.736 5.424 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.653 4.430 6.583 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.087 5.763 6.611 1.00 1.00 C ATOM 0 H ILE A 47 -1.331 3.563 3.111 1.00 1.00 H new ATOM 0 HA ILE A 47 1.066 5.085 3.963 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.060 3.591 5.567 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.437 6.576 5.480 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.683 5.841 4.491 1.00 1.00 H new ATOM 0 HG21 ILE A 47 0.127 4.552 7.530 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.205 3.490 6.593 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.348 5.258 6.445 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.641 6.702 6.611 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.786 4.930 6.534 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.520 5.676 7.538 1.00 1.00 H new ATOM 699 N ILE A 48 2.509 3.061 4.240 1.00 1.00 N ATOM 700 CA ILE A 48 3.364 1.876 4.308 1.00 1.00 C ATOM 701 C ILE A 48 3.806 1.658 5.747 1.00 1.00 C ATOM 702 O ILE A 48 4.440 2.523 6.351 1.00 1.00 O ATOM 703 CB ILE A 48 4.596 2.067 3.419 1.00 1.00 C ATOM 704 CG1 ILE A 48 4.158 2.502 2.013 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.373 0.754 3.334 1.00 1.00 C ATOM 706 CD1 ILE A 48 3.125 1.522 1.444 1.00 1.00 C ATOM 0 H ILE A 48 3.010 3.949 4.254 1.00 1.00 H new ATOM 0 HA ILE A 48 2.804 1.008 3.958 1.00 1.00 H new ATOM 0 HB ILE A 48 5.236 2.838 3.849 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.733 3.505 2.052 1.00 1.00 H new ATOM 0 HG13 ILE A 48 5.025 2.549 1.354 1.00 1.00 H new ATOM 0 HG21 ILE A 48 6.250 0.890 2.701 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.690 0.453 4.333 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.735 -0.020 2.907 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.826 1.846 0.447 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.563 0.525 1.385 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.251 1.497 2.094 1.00 1.00 H new ATOM 718 N GLN A 49 3.457 0.499 6.300 1.00 1.00 N ATOM 719 CA GLN A 49 3.809 0.174 7.684 1.00 1.00 C ATOM 720 C GLN A 49 4.887 -0.894 7.737 1.00 1.00 C ATOM 721 O GLN A 49 4.756 -1.957 7.134 1.00 1.00 O ATOM 722 CB GLN A 49 2.579 -0.328 8.429 1.00 1.00 C ATOM 723 CG GLN A 49 1.590 0.817 8.606 1.00 1.00 C ATOM 724 CD GLN A 49 0.433 0.355 9.480 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.405 -0.432 9.041 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.355 0.784 10.707 1.00 1.00 N ATOM 0 H GLN A 49 2.933 -0.230 5.815 1.00 1.00 H new ATOM 0 HA GLN A 49 4.187 1.081 8.155 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.113 -1.143 7.875 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.867 -0.727 9.401 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.086 1.673 9.063 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.219 1.145 7.635 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.053 1.436 11.065 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.404 0.468 11.311 1.00 1.00 H new ATOM 735 N LEU A 50 5.952 -0.610 8.477 1.00 1.00 N ATOM 736 CA LEU A 50 7.053 -1.559 8.620 1.00 1.00 C ATOM 737 C LEU A 50 6.948 -2.278 9.961 1.00 1.00 C ATOM 738 O LEU A 50 6.747 -1.650 11.002 1.00 1.00 O ATOM 739 CB LEU A 50 8.398 -0.822 8.535 1.00 1.00 C ATOM 740 CG LEU A 50 8.763 -0.510 7.069 1.00 1.00 C ATOM 741 CD1 LEU A 50 8.953 -1.804 6.263 1.00 1.00 C ATOM 742 CD2 LEU A 50 7.663 0.358 6.438 1.00 1.00 C ATOM 0 H LEU A 50 6.078 0.265 8.986 1.00 1.00 H new ATOM 0 HA LEU A 50 6.994 -2.290 7.814 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.346 0.105 9.106 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.180 -1.432 8.987 1.00 1.00 H new ATOM 0 HG LEU A 50 9.706 0.036 7.052 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.210 -1.557 5.233 1.00 1.00 H new ATOM 0 HD12 LEU A 50 9.756 -2.394 6.705 1.00 1.00 H new ATOM 0 HD13 LEU A 50 8.028 -2.381 6.278 1.00 1.00 H new ATOM 0 HD21 LEU A 50 7.922 0.578 5.402 1.00 1.00 H new ATOM 0 HD22 LEU A 50 6.714 -0.178 6.469 1.00 1.00 H new ATOM 0 HD23 LEU A 50 7.571 1.291 6.995 1.00 1.00 H new ATOM 754 N HIS A 51 7.082 -3.598 9.924 1.00 1.00 N ATOM 755 CA HIS A 51 7.002 -4.410 11.135 1.00 1.00 C ATOM 756 C HIS A 51 8.400 -4.680 11.685 1.00 1.00 C ATOM 757 O HIS A 51 8.597 -5.603 12.477 1.00 1.00 O ATOM 758 CB HIS A 51 6.302 -5.734 10.832 1.00 1.00 C ATOM 759 CG HIS A 51 4.900 -5.465 10.360 1.00 1.00 C ATOM 760 ND1 HIS A 51 3.934 -4.909 11.184 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.288 -5.673 9.151 1.00 1.00 C ATOM 762 CE1 HIS A 51 2.801 -4.805 10.466 1.00 1.00 C ATOM 763 NE2 HIS A 51 2.962 -5.258 9.222 1.00 1.00 N ATOM 0 H HIS A 51 7.247 -4.130 9.070 1.00 1.00 H new ATOM 0 HA HIS A 51 6.427 -3.864 11.883 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.854 -6.283 10.070 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.283 -6.360 11.724 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.059 -4.630 12.157 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.763 -6.094 8.277 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.875 -4.404 10.850 1.00 1.00 H new ATOM 771 N GLU A 52 9.363 -3.865 11.263 1.00 1.00 N ATOM 772 CA GLU A 52 10.738 -4.018 11.725 1.00 1.00 C ATOM 773 C GLU A 52 10.772 -4.223 13.237 1.00 1.00 C ATOM 774 O GLU A 52 10.060 -3.550 13.982 1.00 1.00 O ATOM 775 CB GLU A 52 11.550 -2.771 11.357 1.00 1.00 C ATOM 776 CG GLU A 52 11.834 -2.766 9.852 1.00 1.00 C ATOM 777 CD GLU A 52 12.483 -1.444 9.451 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.701 -0.621 10.327 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.750 -1.271 8.274 1.00 1.00 O ATOM 0 H GLU A 52 9.218 -3.098 10.607 1.00 1.00 H new ATOM 0 HA GLU A 52 11.174 -4.892 11.241 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.001 -1.872 11.636 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.487 -2.758 11.914 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.491 -3.597 9.594 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.907 -2.909 9.297 1.00 1.00 H new ATOM 786 N LYS A 53 11.599 -5.162 13.683 1.00 1.00 N ATOM 787 CA LYS A 53 11.709 -5.450 15.108 1.00 1.00 C ATOM 788 C LYS A 53 12.230 -4.224 15.855 1.00 1.00 C ATOM 789 O LYS A 53 11.793 -3.936 16.970 1.00 1.00 O ATOM 790 CB LYS A 53 12.652 -6.638 15.342 1.00 1.00 C ATOM 791 CG LYS A 53 12.040 -7.909 14.747 1.00 1.00 C ATOM 792 CD LYS A 53 12.979 -9.099 14.983 1.00 1.00 C ATOM 793 CE LYS A 53 12.369 -10.367 14.375 1.00 1.00 C ATOM 794 NZ LYS A 53 13.280 -11.525 14.609 1.00 1.00 N ATOM 0 H LYS A 53 12.198 -5.732 13.085 1.00 1.00 H new ATOM 0 HA LYS A 53 10.719 -5.704 15.486 1.00 1.00 H new ATOM 0 HB2 LYS A 53 13.621 -6.441 14.884 1.00 1.00 H new ATOM 0 HB3 LYS A 53 12.825 -6.772 16.410 1.00 1.00 H new ATOM 0 HG2 LYS A 53 11.069 -8.104 15.203 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.869 -7.775 13.679 1.00 1.00 H new ATOM 0 HD2 LYS A 53 13.952 -8.901 14.534 1.00 1.00 H new ATOM 0 HD3 LYS A 53 13.143 -9.239 16.051 1.00 1.00 H new ATOM 0 HE2 LYS A 53 11.394 -10.563 14.821 1.00 1.00 H new ATOM 0 HE3 LYS A 53 12.208 -10.228 13.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 12.863 -12.384 14.195 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 14.201 -11.338 14.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 13.412 -11.662 15.631 1.00 1.00 H new ATOM 808 N GLU A 54 13.172 -3.512 15.237 1.00 1.00 N ATOM 809 CA GLU A 54 13.753 -2.324 15.865 1.00 1.00 C ATOM 810 C GLU A 54 12.660 -1.328 16.228 1.00 1.00 C ATOM 811 O GLU A 54 12.588 -0.856 17.361 1.00 1.00 O ATOM 812 CB GLU A 54 14.734 -1.646 14.904 1.00 1.00 C ATOM 813 CG GLU A 54 15.826 -2.635 14.516 1.00 1.00 C ATOM 814 CD GLU A 54 16.814 -1.975 13.560 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.679 -0.784 13.328 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.691 -2.669 13.071 1.00 1.00 O ATOM 0 H GLU A 54 13.546 -3.732 14.314 1.00 1.00 H new ATOM 0 HA GLU A 54 14.276 -2.639 16.768 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.208 -1.300 14.014 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.174 -0.768 15.376 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.347 -2.982 15.408 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.383 -3.512 14.045 1.00 1.00 H new ATOM 823 N GLN A 55 11.811 -1.020 15.255 1.00 1.00 N ATOM 824 CA GLN A 55 10.715 -0.079 15.484 1.00 1.00 C ATOM 825 C GLN A 55 9.747 -0.062 14.303 1.00 1.00 C ATOM 826 O GLN A 55 10.129 -0.370 13.176 1.00 1.00 O ATOM 827 CB GLN A 55 11.268 1.332 15.706 1.00 1.00 C ATOM 828 CG GLN A 55 12.020 1.794 14.455 1.00 1.00 C ATOM 829 CD GLN A 55 12.672 3.151 14.707 1.00 1.00 C ATOM 830 OE1 GLN A 55 13.101 3.436 15.824 1.00 1.00 O ATOM 831 NE2 GLN A 55 12.767 4.012 13.728 1.00 1.00 N ATOM 0 H GLN A 55 11.856 -1.401 14.310 1.00 1.00 H new ATOM 0 HA GLN A 55 10.175 -0.406 16.373 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.453 2.022 15.928 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.936 1.340 16.567 1.00 1.00 H new ATOM 0 HG2 GLN A 55 12.780 1.061 14.187 1.00 1.00 H new ATOM 0 HG3 GLN A 55 11.332 1.863 13.612 1.00 1.00 H new ATOM 0 HE21 GLN A 55 12.411 3.773 12.803 1.00 1.00 H new ATOM 0 HE22 GLN A 55 13.198 4.922 13.890 1.00 1.00 H new ATOM 840 N HIS A 56 8.498 0.317 14.565 1.00 1.00 N ATOM 841 CA HIS A 56 7.491 0.385 13.507 1.00 1.00 C ATOM 842 C HIS A 56 7.583 1.725 12.786 1.00 1.00 C ATOM 843 O HIS A 56 7.315 2.773 13.372 1.00 1.00 O ATOM 844 CB HIS A 56 6.087 0.218 14.101 1.00 1.00 C ATOM 845 CG HIS A 56 5.880 -1.214 14.512 1.00 1.00 C ATOM 846 ND1 HIS A 56 6.311 -1.705 15.735 1.00 1.00 N ATOM 847 CD2 HIS A 56 5.288 -2.275 13.871 1.00 1.00 C ATOM 848 CE1 HIS A 56 5.977 -3.008 15.792 1.00 1.00 C ATOM 849 NE2 HIS A 56 5.351 -3.405 14.680 1.00 1.00 N ATOM 0 H HIS A 56 8.161 0.579 15.491 1.00 1.00 H new ATOM 0 HA HIS A 56 7.676 -0.421 12.797 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.965 0.875 14.962 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.334 0.509 13.368 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.842 -2.238 12.888 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.189 -3.653 16.632 1.00 1.00 H new ATOM 0 HE2 HIS A 56 4.995 -4.337 14.469 1.00 1.00 H new ATOM 857 N VAL A 57 7.967 1.689 11.510 1.00 1.00 N ATOM 858 CA VAL A 57 8.095 2.915 10.720 1.00 1.00 C ATOM 859 C VAL A 57 6.893 3.079 9.798 1.00 1.00 C ATOM 860 O VAL A 57 6.497 2.144 9.102 1.00 1.00 O ATOM 861 CB VAL A 57 9.378 2.875 9.885 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.751 4.293 9.443 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.514 2.288 10.726 1.00 1.00 C ATOM 0 H VAL A 57 8.193 0.833 11.004 1.00 1.00 H new ATOM 0 HA VAL A 57 8.138 3.762 11.405 1.00 1.00 H new ATOM 0 HB VAL A 57 9.216 2.254 9.004 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.664 4.261 8.849 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.943 4.712 8.843 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.912 4.918 10.322 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.428 2.259 10.133 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.673 2.909 11.607 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.251 1.277 11.038 1.00 1.00 H new ATOM 873 N GLN A 58 6.314 4.275 9.804 1.00 1.00 N ATOM 874 CA GLN A 58 5.145 4.573 8.973 1.00 1.00 C ATOM 875 C GLN A 58 5.441 5.732 8.027 1.00 1.00 C ATOM 876 O GLN A 58 5.690 6.855 8.467 1.00 1.00 O ATOM 877 CB GLN A 58 3.957 4.939 9.868 1.00 1.00 C ATOM 878 CG GLN A 58 2.707 5.165 9.014 1.00 1.00 C ATOM 879 CD GLN A 58 1.531 5.536 9.907 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.551 6.577 10.564 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.504 4.736 9.977 1.00 1.00 N ATOM 0 H GLN A 58 6.633 5.057 10.375 1.00 1.00 H new ATOM 0 HA GLN A 58 4.904 3.689 8.383 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.775 4.142 10.589 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.185 5.839 10.439 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.889 5.959 8.289 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.475 4.263 8.448 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.491 3.874 9.431 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -0.286 4.972 10.577 1.00 1.00 H new ATOM 890 N ASP A 59 5.391 5.453 6.725 1.00 1.00 N ATOM 891 CA ASP A 59 5.634 6.476 5.708 1.00 1.00 C ATOM 892 C ASP A 59 4.316 6.857 5.049 1.00 1.00 C ATOM 893 O ASP A 59 3.512 5.989 4.707 1.00 1.00 O ATOM 894 CB ASP A 59 6.604 5.944 4.653 1.00 1.00 C ATOM 895 CG ASP A 59 7.993 5.769 5.259 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.219 6.297 6.336 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.811 5.112 4.636 1.00 1.00 O ATOM 0 H ASP A 59 5.184 4.527 6.349 1.00 1.00 H new ATOM 0 HA ASP A 59 6.073 7.355 6.180 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.245 4.991 4.266 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.651 6.633 3.810 1.00 1.00 H new ATOM 902 N ILE A 60 4.086 8.156 4.876 1.00 1.00 N ATOM 903 CA ILE A 60 2.845 8.627 4.259 1.00 1.00 C ATOM 904 C ILE A 60 3.045 8.824 2.761 1.00 1.00 C ATOM 905 O ILE A 60 3.743 9.742 2.332 1.00 1.00 O ATOM 906 CB ILE A 60 2.422 9.951 4.903 1.00 1.00 C ATOM 907 CG1 ILE A 60 2.399 9.797 6.433 1.00 1.00 C ATOM 908 CG2 ILE A 60 1.034 10.354 4.403 1.00 1.00 C ATOM 909 CD1 ILE A 60 1.516 8.612 6.846 1.00 1.00 C ATOM 0 H ILE A 60 4.733 8.895 5.150 1.00 1.00 H new ATOM 0 HA ILE A 60 2.065 7.882 4.415 1.00 1.00 H new ATOM 0 HB ILE A 60 3.137 10.727 4.629 1.00 1.00 H new ATOM 0 HG12 ILE A 60 3.413 9.648 6.804 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.024 10.713 6.890 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.740 11.296 4.865 1.00 1.00 H new ATOM 0 HG22 ILE A 60 1.058 10.473 3.320 1.00 1.00 H new ATOM 0 HG23 ILE A 60 0.313 9.580 4.667 1.00 1.00 H new ATOM 0 HD11 ILE A 60 1.514 8.521 7.932 1.00 1.00 H new ATOM 0 HD12 ILE A 60 0.498 8.777 6.494 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.908 7.695 6.406 1.00 1.00 H new ATOM 921 N ILE A 61 2.425 7.948 1.966 1.00 1.00 N ATOM 922 CA ILE A 61 2.538 8.019 0.510 1.00 1.00 C ATOM 923 C ILE A 61 1.183 8.401 -0.106 1.00 1.00 C ATOM 924 O ILE A 61 0.284 7.566 -0.166 1.00 1.00 O ATOM 925 CB ILE A 61 2.972 6.655 -0.033 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.217 6.166 0.723 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.290 6.770 -1.523 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.324 7.233 0.701 1.00 1.00 C ATOM 0 H ILE A 61 1.841 7.184 2.307 1.00 1.00 H new ATOM 0 HA ILE A 61 3.278 8.775 0.247 1.00 1.00 H new ATOM 0 HB ILE A 61 2.161 5.940 0.109 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.953 5.931 1.754 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.584 5.245 0.270 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.598 5.797 -1.905 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.403 7.106 -2.060 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.096 7.489 -1.669 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.195 6.864 1.242 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.602 7.448 -0.331 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.961 8.144 1.176 1.00 1.00 H new ATOM 940 N PRO A 62 1.000 9.626 -0.556 1.00 1.00 N ATOM 941 CA PRO A 62 -0.301 10.055 -1.150 1.00 1.00 C ATOM 942 C PRO A 62 -0.521 9.492 -2.554 1.00 1.00 C ATOM 943 O PRO A 62 0.426 9.304 -3.316 1.00 1.00 O ATOM 944 CB PRO A 62 -0.206 11.585 -1.154 1.00 1.00 C ATOM 945 CG PRO A 62 1.255 11.880 -1.272 1.00 1.00 C ATOM 946 CD PRO A 62 1.985 10.732 -0.562 1.00 1.00 C ATOM 0 HA PRO A 62 -1.155 9.684 -0.584 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.764 12.013 -1.987 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.622 12.009 -0.240 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.555 11.944 -2.318 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.497 12.838 -0.812 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.896 10.452 -1.091 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.277 11.011 0.450 1.00 1.00 H new ATOM 954 N ILE A 63 -1.786 9.236 -2.885 1.00 1.00 N ATOM 955 CA ILE A 63 -2.144 8.700 -4.198 1.00 1.00 C ATOM 956 C ILE A 63 -2.455 9.834 -5.171 1.00 1.00 C ATOM 957 O ILE A 63 -3.370 10.627 -4.950 1.00 1.00 O ATOM 958 CB ILE A 63 -3.361 7.778 -4.058 1.00 1.00 C ATOM 959 CG1 ILE A 63 -2.960 6.543 -3.243 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.856 7.350 -5.443 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.209 5.757 -2.844 1.00 1.00 C ATOM 0 H ILE A 63 -2.579 9.391 -2.263 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.301 8.131 -4.591 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.165 8.309 -3.549 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.293 5.910 -3.829 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.410 6.847 -2.352 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.721 6.695 -5.334 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.139 8.232 -6.017 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.061 6.817 -5.965 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.918 4.881 -2.265 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.860 6.390 -2.241 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.741 5.439 -3.741 1.00 1.00 H new ATOM 973 N ASN A 64 -1.675 9.901 -6.246 1.00 1.00 N ATOM 974 CA ASN A 64 -1.847 10.935 -7.260 1.00 1.00 C ATOM 975 C ASN A 64 -1.108 10.543 -8.539 1.00 1.00 C ATOM 976 O ASN A 64 -0.722 9.388 -8.711 1.00 1.00 O ATOM 977 CB ASN A 64 -1.311 12.274 -6.740 1.00 1.00 C ATOM 978 CG ASN A 64 -2.261 12.854 -5.698 1.00 1.00 C ATOM 979 OD1 ASN A 64 -3.478 12.817 -5.879 1.00 1.00 O ATOM 980 ND2 ASN A 64 -1.776 13.386 -4.611 1.00 1.00 N ATOM 0 H ASN A 64 -0.915 9.248 -6.437 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.909 11.038 -7.481 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.323 12.133 -6.303 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -1.196 12.974 -7.568 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -2.405 13.773 -3.908 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.767 13.415 -4.464 1.00 1.00 H new ATOM 987 N SER A 65 -0.923 11.507 -9.434 1.00 1.00 N ATOM 988 CA SER A 65 -0.236 11.248 -10.694 1.00 1.00 C ATOM 989 C SER A 65 1.202 10.789 -10.459 1.00 1.00 C ATOM 990 O SER A 65 1.713 9.934 -11.180 1.00 1.00 O ATOM 991 CB SER A 65 -0.230 12.518 -11.543 1.00 1.00 C ATOM 992 OG SER A 65 0.436 13.554 -10.832 1.00 1.00 O ATOM 0 H SER A 65 -1.237 12.470 -9.312 1.00 1.00 H new ATOM 0 HA SER A 65 -0.769 10.452 -11.213 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.272 12.332 -12.493 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.252 12.819 -11.775 1.00 1.00 H new ATOM 0 HG SER A 65 0.444 14.370 -11.374 1.00 1.00 H new ATOM 998 N HIS A 66 1.854 11.364 -9.452 1.00 1.00 N ATOM 999 CA HIS A 66 3.238 11.005 -9.144 1.00 1.00 C ATOM 1000 C HIS A 66 3.323 9.607 -8.533 1.00 1.00 C ATOM 1001 O HIS A 66 4.305 8.891 -8.734 1.00 1.00 O ATOM 1002 CB HIS A 66 3.853 12.029 -8.185 1.00 1.00 C ATOM 1003 CG HIS A 66 3.982 13.360 -8.881 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.890 13.575 -9.906 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.330 14.557 -8.703 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.762 14.855 -10.303 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.824 15.497 -9.601 1.00 1.00 N ATOM 0 H HIS A 66 1.452 12.074 -8.840 1.00 1.00 H new ATOM 0 HA HIS A 66 3.799 11.006 -10.079 1.00 1.00 H new ATOM 0 HB2 HIS A 66 3.229 12.131 -7.297 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.832 11.686 -7.850 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.552 14.740 -7.976 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.345 15.307 -11.091 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.532 16.469 -9.702 1.00 1.00 H new ATOM 1015 N PHE A 67 2.287 9.221 -7.785 1.00 1.00 N ATOM 1016 CA PHE A 67 2.247 7.905 -7.146 1.00 1.00 C ATOM 1017 C PHE A 67 1.547 6.904 -8.058 1.00 1.00 C ATOM 1018 O PHE A 67 0.396 7.100 -8.447 1.00 1.00 O ATOM 1019 CB PHE A 67 1.496 8.006 -5.806 1.00 1.00 C ATOM 1020 CG PHE A 67 1.104 6.625 -5.314 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.107 6.061 -5.729 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.948 5.913 -4.453 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.477 4.787 -5.285 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.577 4.637 -4.010 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.365 4.075 -4.426 1.00 1.00 C ATOM 0 H PHE A 67 1.466 9.800 -7.607 1.00 1.00 H new ATOM 0 HA PHE A 67 3.266 7.564 -6.964 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.126 8.498 -5.065 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.605 8.622 -5.927 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.758 6.610 -6.393 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.883 6.347 -4.131 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.413 4.354 -5.606 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.227 4.086 -3.346 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.080 3.091 -4.083 1.00 1.00 H new ATOM 1035 N ARG A 68 2.246 5.819 -8.381 1.00 1.00 N ATOM 1036 CA ARG A 68 1.681 4.777 -9.236 1.00 1.00 C ATOM 1037 C ARG A 68 1.971 3.393 -8.667 1.00 1.00 C ATOM 1038 O ARG A 68 3.036 3.146 -8.097 1.00 1.00 O ATOM 1039 CB ARG A 68 2.256 4.875 -10.647 1.00 1.00 C ATOM 1040 CG ARG A 68 1.706 6.121 -11.340 1.00 1.00 C ATOM 1041 CD ARG A 68 2.258 6.187 -12.764 1.00 1.00 C ATOM 1042 NE ARG A 68 3.690 6.475 -12.741 1.00 1.00 N ATOM 1043 CZ ARG A 68 4.413 6.483 -13.859 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.867 6.156 -14.999 1.00 1.00 N ATOM 1045 NH2 ARG A 68 5.677 6.807 -13.813 1.00 1.00 N ATOM 0 H ARG A 68 3.199 5.638 -8.066 1.00 1.00 H new ATOM 0 HA ARG A 68 0.602 4.925 -9.275 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.344 4.921 -10.605 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.996 3.984 -11.219 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.617 6.090 -11.360 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.989 7.016 -10.785 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.079 5.241 -13.275 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.734 6.958 -13.329 1.00 1.00 H new ATOM 0 HE ARG A 68 4.145 6.674 -11.850 1.00 1.00 H new ATOM 0 HH11 ARG A 68 2.882 5.893 -15.036 1.00 1.00 H new ATOM 0 HH12 ARG A 68 4.425 6.164 -15.853 1.00 1.00 H new ATOM 0 HH21 ARG A 68 6.108 7.053 -12.922 1.00 1.00 H new ATOM 0 HH22 ARG A 68 6.233 6.814 -14.668 1.00 1.00 H new ATOM 1059 N CYS A 69 1.009 2.493 -8.842 1.00 1.00 N ATOM 1060 CA CYS A 69 1.129 1.115 -8.369 1.00 1.00 C ATOM 1061 C CYS A 69 1.073 0.175 -9.561 1.00 1.00 C ATOM 1062 O CYS A 69 0.037 0.060 -10.214 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.021 0.795 -7.404 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.116 -0.993 -7.132 1.00 1.00 S ATOM 0 H CYS A 69 0.127 2.695 -9.313 1.00 1.00 H new ATOM 0 HA CYS A 69 2.077 0.989 -7.845 1.00 1.00 H new ATOM 0 HB2 CYS A 69 0.135 1.308 -6.455 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.963 1.160 -7.813 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.090 -1.256 -6.313 1.00 1.00 H new ATOM 1070 N VAL A 70 2.191 -0.492 -9.856 1.00 1.00 N ATOM 1071 CA VAL A 70 2.240 -1.411 -11.000 1.00 1.00 C ATOM 1072 C VAL A 70 2.454 -2.845 -10.539 1.00 1.00 C ATOM 1073 O VAL A 70 3.398 -3.138 -9.810 1.00 1.00 O ATOM 1074 CB VAL A 70 3.369 -1.003 -11.950 1.00 1.00 C ATOM 1075 CG1 VAL A 70 3.046 0.355 -12.577 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.687 -0.901 -11.181 1.00 1.00 C ATOM 0 H VAL A 70 3.062 -0.417 -9.330 1.00 1.00 H new ATOM 0 HA VAL A 70 1.285 -1.354 -11.522 1.00 1.00 H new ATOM 0 HB VAL A 70 3.464 -1.756 -12.732 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.851 0.644 -13.253 1.00 1.00 H new ATOM 0 HG12 VAL A 70 2.112 0.286 -13.134 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.945 1.104 -11.791 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.485 -0.610 -11.864 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.592 -0.153 -10.394 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.924 -1.867 -10.736 1.00 1.00 H new ATOM 1086 N GLN A 71 1.562 -3.736 -10.970 1.00 1.00 N ATOM 1087 CA GLN A 71 1.646 -5.143 -10.590 1.00 1.00 C ATOM 1088 C GLN A 71 2.600 -5.896 -11.514 1.00 1.00 C ATOM 1089 O GLN A 71 2.250 -6.241 -12.643 1.00 1.00 O ATOM 1090 CB GLN A 71 0.250 -5.772 -10.649 1.00 1.00 C ATOM 1091 CG GLN A 71 0.222 -7.089 -9.862 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.221 -7.558 -9.692 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.153 -6.791 -9.928 1.00 1.00 O ATOM 1094 NE2 GLN A 71 -1.464 -8.772 -9.282 1.00 1.00 N ATOM 0 H GLN A 71 0.777 -3.509 -11.580 1.00 1.00 H new ATOM 0 HA GLN A 71 2.033 -5.211 -9.573 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.485 -5.080 -10.238 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.030 -5.955 -11.686 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.802 -7.849 -10.386 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.687 -6.950 -8.886 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -0.691 -9.408 -9.086 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -2.427 -9.085 -9.157 1.00 1.00 H new ATOM 1103 N GLU A 72 3.809 -6.145 -11.016 1.00 1.00 N ATOM 1104 CA GLU A 72 4.829 -6.859 -11.784 1.00 1.00 C ATOM 1105 C GLU A 72 4.787 -6.437 -13.252 1.00 1.00 C ATOM 1106 O GLU A 72 4.784 -7.271 -14.158 1.00 1.00 O ATOM 1107 CB GLU A 72 4.600 -8.366 -11.675 1.00 1.00 C ATOM 1108 CG GLU A 72 5.847 -9.113 -12.155 1.00 1.00 C ATOM 1109 CD GLU A 72 5.662 -10.613 -11.970 1.00 1.00 C ATOM 1110 OE1 GLU A 72 4.546 -11.024 -11.695 1.00 1.00 O ATOM 1111 OE2 GLU A 72 6.638 -11.332 -12.109 1.00 1.00 O ATOM 0 H GLU A 72 4.108 -5.863 -10.082 1.00 1.00 H new ATOM 0 HA GLU A 72 5.809 -6.610 -11.376 1.00 1.00 H new ATOM 0 HB2 GLU A 72 4.377 -8.636 -10.643 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.737 -8.657 -12.274 1.00 1.00 H new ATOM 0 HG2 GLU A 72 6.033 -8.888 -13.205 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.720 -8.775 -11.597 1.00 1.00 H new ATOM 1229 N ASP A 80 -6.544 -7.054 -12.643 1.00 1.00 N ATOM 1230 CA ASP A 80 -6.051 -7.410 -11.319 1.00 1.00 C ATOM 1231 C ASP A 80 -6.990 -8.413 -10.656 1.00 1.00 C ATOM 1232 O ASP A 80 -6.547 -9.369 -10.024 1.00 1.00 O ATOM 1233 CB ASP A 80 -5.951 -6.160 -10.440 1.00 1.00 C ATOM 1234 CG ASP A 80 -4.869 -5.223 -10.969 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.776 -5.696 -11.230 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -5.150 -4.043 -11.101 1.00 1.00 O ATOM 0 HA ASP A 80 -5.064 -7.858 -11.430 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -6.911 -5.644 -10.421 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -5.723 -6.447 -9.413 1.00 1.00 H new ATOM 1241 N ILE A 81 -8.289 -8.183 -10.814 1.00 1.00 N ATOM 1242 CA ILE A 81 -9.302 -9.060 -10.231 1.00 1.00 C ATOM 1243 C ILE A 81 -9.191 -10.471 -10.806 1.00 1.00 C ATOM 1244 O ILE A 81 -9.302 -11.458 -10.081 1.00 1.00 O ATOM 1245 CB ILE A 81 -10.696 -8.488 -10.504 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -10.866 -7.187 -9.715 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -11.768 -9.492 -10.068 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -12.114 -6.451 -10.205 1.00 1.00 C ATOM 0 H ILE A 81 -8.667 -7.396 -11.341 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.139 -9.117 -9.155 1.00 1.00 H new ATOM 0 HB ILE A 81 -10.805 -8.293 -11.571 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.954 -7.404 -8.650 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.986 -6.556 -9.840 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.757 -9.077 -10.266 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.646 -10.420 -10.626 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.666 -9.694 -9.002 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.234 -5.525 -9.643 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -12.008 -6.221 -11.265 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -12.990 -7.082 -10.057 1.00 1.00 H new ATOM 1260 N ALA A 82 -8.986 -10.556 -12.116 1.00 1.00 N ATOM 1261 CA ALA A 82 -8.874 -11.848 -12.785 1.00 1.00 C ATOM 1262 C ALA A 82 -7.797 -12.709 -12.136 1.00 1.00 C ATOM 1263 O ALA A 82 -7.904 -13.936 -12.106 1.00 1.00 O ATOM 1264 CB ALA A 82 -8.534 -11.638 -14.260 1.00 1.00 C ATOM 0 H ALA A 82 -8.894 -9.750 -12.734 1.00 1.00 H new ATOM 0 HA ALA A 82 -9.831 -12.362 -12.694 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -8.451 -12.605 -14.756 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -9.321 -11.053 -14.735 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.586 -11.106 -14.343 1.00 1.00 H new ATOM 1270 N SER A 83 -6.754 -12.065 -11.615 1.00 1.00 N ATOM 1271 CA SER A 83 -5.660 -12.792 -10.968 1.00 1.00 C ATOM 1272 C SER A 83 -5.067 -11.971 -9.828 1.00 1.00 C ATOM 1273 O SER A 83 -4.677 -10.819 -10.019 1.00 1.00 O ATOM 1274 CB SER A 83 -4.574 -13.098 -11.996 1.00 1.00 C ATOM 1275 OG SER A 83 -3.470 -13.711 -11.343 1.00 1.00 O ATOM 0 H SER A 83 -6.642 -11.051 -11.627 1.00 1.00 H new ATOM 0 HA SER A 83 -6.054 -13.722 -10.558 1.00 1.00 H new ATOM 0 HB2 SER A 83 -4.965 -13.758 -12.771 1.00 1.00 H new ATOM 0 HB3 SER A 83 -4.255 -12.180 -12.490 1.00 1.00 H new ATOM 0 HG SER A 83 -2.771 -13.911 -12.000 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.993 -12.575 -8.641 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.439 -11.886 -7.474 1.00 1.00 C ATOM 1283 C ASN A 84 -3.741 -12.863 -6.546 1.00 1.00 C ATOM 1284 O ASN A 84 -3.632 -12.626 -5.342 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.548 -11.171 -6.707 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.160 -10.069 -7.562 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.327 -10.160 -7.945 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.449 -9.025 -7.877 1.00 1.00 N ATOM 0 H ASN A 84 -5.306 -13.529 -8.463 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.711 -11.157 -7.832 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.318 -11.886 -6.418 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.147 -10.746 -5.787 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -5.858 -8.281 -8.442 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.483 -8.951 -7.559 1.00 1.00 H new ATOM 1295 N SER A 85 -3.257 -13.948 -7.117 1.00 1.00 N ATOM 1296 CA SER A 85 -2.549 -14.958 -6.337 1.00 1.00 C ATOM 1297 C SER A 85 -1.115 -14.507 -6.110 1.00 1.00 C ATOM 1298 O SER A 85 -0.275 -14.605 -7.005 1.00 1.00 O ATOM 1299 CB SER A 85 -2.561 -16.306 -7.063 1.00 1.00 C ATOM 1300 OG SER A 85 -1.964 -17.292 -6.229 1.00 1.00 O ATOM 0 H SER A 85 -3.337 -14.157 -8.112 1.00 1.00 H new ATOM 0 HA SER A 85 -3.052 -15.079 -5.377 1.00 1.00 H new ATOM 0 HB2 SER A 85 -3.584 -16.591 -7.309 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.016 -16.231 -8.004 1.00 1.00 H new ATOM 0 HG SER A 85 -1.971 -18.157 -6.689 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.843 -13.985 -4.917 1.00 1.00 N ATOM 1307 CA GLY A 86 0.493 -13.492 -4.607 1.00 1.00 C ATOM 1308 C GLY A 86 0.819 -12.331 -5.535 1.00 1.00 C ATOM 1309 O GLY A 86 1.485 -12.505 -6.557 1.00 1.00 O ATOM 0 H GLY A 86 -1.520 -13.894 -4.160 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.543 -13.169 -3.567 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.226 -14.289 -4.729 1.00 1.00 H new ATOM 1313 N CYS A 87 0.302 -11.151 -5.191 1.00 1.00 N ATOM 1314 CA CYS A 87 0.490 -9.958 -6.021 1.00 1.00 C ATOM 1315 C CYS A 87 1.711 -9.139 -5.587 1.00 1.00 C ATOM 1316 O CYS A 87 1.841 -8.768 -4.421 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.776 -9.059 -5.941 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.155 -9.970 -5.191 1.00 1.00 S ATOM 0 H CYS A 87 -0.248 -10.995 -4.347 1.00 1.00 H new ATOM 0 HA CYS A 87 0.656 -10.297 -7.044 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.559 -8.167 -5.353 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.055 -8.723 -6.940 1.00 1.00 H new ATOM 1323 N LYS A 88 2.570 -8.808 -6.557 1.00 1.00 N ATOM 1324 CA LYS A 88 3.741 -7.969 -6.300 1.00 1.00 C ATOM 1325 C LYS A 88 3.514 -6.623 -6.977 1.00 1.00 C ATOM 1326 O LYS A 88 3.311 -6.566 -8.190 1.00 1.00 O ATOM 1327 CB LYS A 88 5.015 -8.600 -6.869 1.00 1.00 C ATOM 1328 CG LYS A 88 5.375 -9.874 -6.099 1.00 1.00 C ATOM 1329 CD LYS A 88 6.589 -10.528 -6.763 1.00 1.00 C ATOM 1330 CE LYS A 88 6.983 -11.801 -6.006 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.155 -12.438 -6.675 1.00 1.00 N ATOM 0 H LYS A 88 2.475 -9.109 -7.527 1.00 1.00 H new ATOM 0 HA LYS A 88 3.868 -7.858 -5.223 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.872 -8.834 -7.924 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.838 -7.888 -6.810 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.597 -9.636 -5.059 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.531 -10.563 -6.095 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.359 -10.769 -7.801 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.426 -9.830 -6.776 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.228 -11.560 -4.972 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.144 -12.496 -5.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.421 -13.302 -6.160 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 7.905 -12.682 -7.655 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.956 -11.775 -6.677 1.00 1.00 H new ATOM 1345 N ILE A 89 3.546 -5.545 -6.195 1.00 1.00 N ATOM 1346 CA ILE A 89 3.334 -4.197 -6.735 1.00 1.00 C ATOM 1347 C ILE A 89 4.545 -3.328 -6.438 1.00 1.00 C ATOM 1348 O ILE A 89 5.256 -3.558 -5.463 1.00 1.00 O ATOM 1349 CB ILE A 89 2.075 -3.557 -6.116 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.182 -3.541 -4.562 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.831 -4.351 -6.553 1.00 1.00 C ATOM 1352 CD1 ILE A 89 2.674 -2.171 -4.059 1.00 1.00 C ATOM 0 H ILE A 89 3.716 -5.575 -5.190 1.00 1.00 H new ATOM 0 HA ILE A 89 3.195 -4.273 -7.813 1.00 1.00 H new ATOM 0 HB ILE A 89 1.989 -2.528 -6.465 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.209 -3.766 -4.124 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.868 -4.322 -4.233 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.060 -3.900 -6.116 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.751 -4.333 -7.640 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.920 -5.383 -6.212 1.00 1.00 H new ATOM 0 HD11 ILE A 89 2.740 -2.185 -2.971 1.00 1.00 H new ATOM 0 HD12 ILE A 89 3.657 -1.961 -4.480 1.00 1.00 H new ATOM 0 HD13 ILE A 89 1.973 -1.396 -4.370 1.00 1.00 H new ATOM 1364 N ARG A 90 4.774 -2.319 -7.281 1.00 1.00 N ATOM 1365 CA ARG A 90 5.907 -1.410 -7.093 1.00 1.00 C ATOM 1366 C ARG A 90 5.403 0.021 -6.983 1.00 1.00 C ATOM 1367 O ARG A 90 4.441 0.404 -7.651 1.00 1.00 O ATOM 1368 CB ARG A 90 6.873 -1.521 -8.273 1.00 1.00 C ATOM 1369 CG ARG A 90 7.328 -2.972 -8.415 1.00 1.00 C ATOM 1370 CD ARG A 90 8.291 -3.100 -9.597 1.00 1.00 C ATOM 1371 NE ARG A 90 8.680 -4.498 -9.766 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.460 -4.893 -10.770 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.955 -4.020 -11.602 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.740 -6.160 -10.916 1.00 1.00 N ATOM 0 H ARG A 90 4.195 -2.111 -8.095 1.00 1.00 H new ATOM 0 HA ARG A 90 6.431 -1.684 -6.177 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.386 -1.189 -9.190 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.734 -0.871 -8.116 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.817 -3.301 -7.498 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.465 -3.620 -8.566 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.816 -2.732 -10.507 1.00 1.00 H new ATOM 0 HD3 ARG A 90 9.174 -2.485 -9.427 1.00 1.00 H new ATOM 0 HE ARG A 90 8.345 -5.191 -9.096 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.745 -3.029 -11.486 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.552 -4.328 -12.369 1.00 1.00 H new ATOM 0 HH21 ARG A 90 9.361 -6.845 -10.262 1.00 1.00 H new ATOM 0 HH22 ARG A 90 10.337 -6.465 -11.684 1.00 1.00 H new ATOM 1388 N VAL A 91 6.047 0.801 -6.122 1.00 1.00 N ATOM 1389 CA VAL A 91 5.655 2.195 -5.908 1.00 1.00 C ATOM 1390 C VAL A 91 6.796 3.140 -6.264 1.00 1.00 C ATOM 1391 O VAL A 91 7.936 2.940 -5.847 1.00 1.00 O ATOM 1392 CB VAL A 91 5.274 2.395 -4.442 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.841 3.845 -4.204 1.00 1.00 C ATOM 1394 CG2 VAL A 91 4.122 1.452 -4.090 1.00 1.00 C ATOM 0 H VAL A 91 6.842 0.495 -5.560 1.00 1.00 H new ATOM 0 HA VAL A 91 4.804 2.418 -6.551 1.00 1.00 H new ATOM 0 HB VAL A 91 6.136 2.176 -3.812 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.572 3.977 -3.156 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.663 4.516 -4.455 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.980 4.075 -4.832 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.845 1.590 -3.045 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.264 1.673 -4.725 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.435 0.420 -4.249 1.00 1.00 H new ATOM 1404 N GLN A 92 6.471 4.179 -7.028 1.00 1.00 N ATOM 1405 CA GLN A 92 7.465 5.173 -7.435 1.00 1.00 C ATOM 1406 C GLN A 92 6.875 6.575 -7.326 1.00 1.00 C ATOM 1407 O GLN A 92 5.741 6.818 -7.741 1.00 1.00 O ATOM 1408 CB GLN A 92 7.904 4.914 -8.875 1.00 1.00 C ATOM 1409 CG GLN A 92 9.011 5.902 -9.250 1.00 1.00 C ATOM 1410 CD GLN A 92 9.583 5.552 -10.619 1.00 1.00 C ATOM 1411 OE1 GLN A 92 9.372 4.446 -11.115 1.00 1.00 O ATOM 1412 NE2 GLN A 92 10.300 6.433 -11.260 1.00 1.00 N ATOM 0 H GLN A 92 5.530 4.356 -7.378 1.00 1.00 H new ATOM 0 HA GLN A 92 8.330 5.095 -6.776 1.00 1.00 H new ATOM 0 HB2 GLN A 92 8.263 3.890 -8.980 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.057 5.025 -9.552 1.00 1.00 H new ATOM 0 HG2 GLN A 92 8.615 6.917 -9.262 1.00 1.00 H new ATOM 0 HG3 GLN A 92 9.801 5.877 -8.500 1.00 1.00 H new ATOM 0 HE21 GLN A 92 10.473 7.349 -10.846 1.00 1.00 H new ATOM 0 HE22 GLN A 92 10.688 6.206 -12.176 1.00 1.00 H new ATOM 1421 N GLY A 93 7.655 7.494 -6.773 1.00 1.00 N ATOM 1422 CA GLY A 93 7.205 8.871 -6.616 1.00 1.00 C ATOM 1423 C GLY A 93 8.261 9.705 -5.899 1.00 1.00 C ATOM 1424 O GLY A 93 9.361 9.230 -5.635 1.00 1.00 O ATOM 0 H GLY A 93 8.597 7.313 -6.427 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.995 9.304 -7.594 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.273 8.892 -6.051 1.00 1.00 H new ATOM 1483 N ARG A 97 12.331 6.635 -3.901 1.00 1.00 N ATOM 1484 CA ARG A 97 12.928 6.406 -5.217 1.00 1.00 C ATOM 1485 C ARG A 97 12.305 5.189 -5.892 1.00 1.00 C ATOM 1486 O ARG A 97 11.764 5.292 -6.994 1.00 1.00 O ATOM 1487 CB ARG A 97 14.440 6.196 -5.090 1.00 1.00 C ATOM 1488 CG ARG A 97 15.053 7.318 -4.240 1.00 1.00 C ATOM 1489 CD ARG A 97 14.907 8.668 -4.951 1.00 1.00 C ATOM 1490 NE ARG A 97 13.574 9.210 -4.714 1.00 1.00 N ATOM 1491 CZ ARG A 97 13.045 10.126 -5.518 1.00 1.00 C ATOM 1492 NH1 ARG A 97 13.747 10.616 -6.503 1.00 1.00 N ATOM 1493 NH2 ARG A 97 11.824 10.537 -5.319 1.00 1.00 N ATOM 0 HA ARG A 97 12.735 7.288 -5.828 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.644 5.228 -4.633 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.899 6.185 -6.079 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.561 7.357 -3.268 1.00 1.00 H new ATOM 0 HG3 ARG A 97 16.107 7.109 -4.056 1.00 1.00 H new ATOM 0 HD2 ARG A 97 15.663 9.364 -4.587 1.00 1.00 H new ATOM 0 HD3 ARG A 97 15.075 8.546 -6.021 1.00 1.00 H new ATOM 0 HE ARG A 97 13.036 8.879 -3.913 1.00 1.00 H new ATOM 0 HH11 ARG A 97 14.703 10.296 -6.657 1.00 1.00 H new ATOM 0 HH12 ARG A 97 13.339 11.319 -7.119 1.00 1.00 H new ATOM 0 HH21 ARG A 97 11.277 10.155 -4.547 1.00 1.00 H new ATOM 0 HH22 ARG A 97 11.416 11.240 -5.935 1.00 1.00 H new ATOM 1507 N GLU A 98 12.373 4.044 -5.221 1.00 1.00 N ATOM 1508 CA GLU A 98 11.801 2.811 -5.759 1.00 1.00 C ATOM 1509 C GLU A 98 11.894 1.686 -4.731 1.00 1.00 C ATOM 1510 O GLU A 98 12.983 1.211 -4.411 1.00 1.00 O ATOM 1511 CB GLU A 98 12.542 2.396 -7.041 1.00 1.00 C ATOM 1512 CG GLU A 98 11.850 1.185 -7.687 1.00 1.00 C ATOM 1513 CD GLU A 98 10.494 1.597 -8.251 1.00 1.00 C ATOM 1514 OE1 GLU A 98 10.220 2.783 -8.269 1.00 1.00 O ATOM 1515 OE2 GLU A 98 9.750 0.717 -8.654 1.00 1.00 O ATOM 0 H GLU A 98 12.816 3.942 -4.308 1.00 1.00 H new ATOM 0 HA GLU A 98 10.752 2.994 -5.992 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.563 3.229 -7.743 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.578 2.150 -6.807 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.476 0.780 -8.482 1.00 1.00 H new ATOM 0 HG3 GLU A 98 11.721 0.393 -6.949 1.00 1.00 H new ATOM 1522 N ARG A 99 10.734 1.260 -4.228 1.00 1.00 N ATOM 1523 CA ARG A 99 10.664 0.176 -3.244 1.00 1.00 C ATOM 1524 C ARG A 99 9.644 -0.861 -3.712 1.00 1.00 C ATOM 1525 O ARG A 99 8.550 -0.504 -4.145 1.00 1.00 O ATOM 1526 CB ARG A 99 10.233 0.734 -1.887 1.00 1.00 C ATOM 1527 CG ARG A 99 11.237 1.790 -1.417 1.00 1.00 C ATOM 1528 CD ARG A 99 10.919 2.175 0.027 1.00 1.00 C ATOM 1529 NE ARG A 99 9.588 2.763 0.119 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.027 3.018 1.299 1.00 1.00 C ATOM 1531 NH1 ARG A 99 9.676 2.753 2.400 1.00 1.00 N ATOM 1532 NH2 ARG A 99 7.826 3.527 1.354 1.00 1.00 N ATOM 0 H ARG A 99 9.827 1.650 -4.486 1.00 1.00 H new ATOM 0 HA ARG A 99 11.646 -0.288 -3.146 1.00 1.00 H new ATOM 0 HB2 ARG A 99 9.238 1.173 -1.964 1.00 1.00 H new ATOM 0 HB3 ARG A 99 10.170 -0.072 -1.156 1.00 1.00 H new ATOM 0 HG2 ARG A 99 12.253 1.401 -1.487 1.00 1.00 H new ATOM 0 HG3 ARG A 99 11.187 2.669 -2.060 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.978 1.294 0.666 1.00 1.00 H new ATOM 0 HD3 ARG A 99 11.662 2.884 0.392 1.00 1.00 H new ATOM 0 HE ARG A 99 9.077 2.983 -0.736 1.00 1.00 H new ATOM 0 HH11 ARG A 99 10.612 2.351 2.356 1.00 1.00 H new ATOM 0 HH12 ARG A 99 9.247 2.948 3.305 1.00 1.00 H new ATOM 0 HH21 ARG A 99 7.318 3.729 0.493 1.00 1.00 H new ATOM 0 HH22 ARG A 99 7.396 3.722 2.258 1.00 1.00 H new ATOM 1546 N ARG A 100 10.002 -2.143 -3.638 1.00 1.00 N ATOM 1547 CA ARG A 100 9.092 -3.207 -4.079 1.00 1.00 C ATOM 1548 C ARG A 100 8.238 -3.713 -2.918 1.00 1.00 C ATOM 1549 O ARG A 100 8.599 -3.553 -1.752 1.00 1.00 O ATOM 1550 CB ARG A 100 9.890 -4.364 -4.692 1.00 1.00 C ATOM 1551 CG ARG A 100 10.661 -3.862 -5.919 1.00 1.00 C ATOM 1552 CD ARG A 100 11.541 -4.988 -6.480 1.00 1.00 C ATOM 1553 NE ARG A 100 10.721 -6.057 -7.039 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.283 -7.157 -7.538 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.566 -7.189 -7.788 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.542 -8.186 -7.839 1.00 1.00 N ATOM 0 H ARG A 100 10.901 -2.470 -3.283 1.00 1.00 H new ATOM 0 HA ARG A 100 8.426 -2.793 -4.836 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.583 -4.772 -3.956 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.217 -5.172 -4.978 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.963 -3.519 -6.683 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.280 -3.007 -5.646 1.00 1.00 H new ATOM 0 HD2 ARG A 100 12.202 -4.590 -7.250 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.177 -5.387 -5.690 1.00 1.00 H new ATOM 0 HE ARG A 100 9.706 -5.961 -7.048 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.143 -6.369 -7.601 1.00 1.00 H new ATOM 0 HH12 ARG A 100 12.990 -8.034 -8.170 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.533 -8.148 -7.692 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.971 -9.029 -8.221 1.00 1.00 H new ATOM 1570 N PHE A 101 7.093 -4.314 -3.250 1.00 1.00 N ATOM 1571 CA PHE A 101 6.171 -4.835 -2.236 1.00 1.00 C ATOM 1572 C PHE A 101 5.595 -6.179 -2.680 1.00 1.00 C ATOM 1573 O PHE A 101 5.506 -6.458 -3.875 1.00 1.00 O ATOM 1574 CB PHE A 101 5.025 -3.841 -2.024 1.00 1.00 C ATOM 1575 CG PHE A 101 5.538 -2.579 -1.381 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.707 -2.520 0.003 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.839 -1.465 -2.171 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.179 -1.347 0.603 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.309 -0.290 -1.575 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.479 -0.231 -0.187 1.00 1.00 C ATOM 0 H PHE A 101 6.782 -4.452 -4.211 1.00 1.00 H new ATOM 0 HA PHE A 101 6.719 -4.973 -1.304 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.557 -3.606 -2.980 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.256 -4.291 -1.395 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.473 -3.381 0.612 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.708 -1.512 -3.242 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.312 -1.303 1.674 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.540 0.571 -2.185 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.842 0.676 0.275 1.00 1.00 H new ATOM 1590 N GLU A 102 5.202 -7.010 -1.713 1.00 1.00 N ATOM 1591 CA GLU A 102 4.633 -8.327 -2.015 1.00 1.00 C ATOM 1592 C GLU A 102 3.467 -8.641 -1.082 1.00 1.00 C ATOM 1593 O GLU A 102 3.513 -8.338 0.107 1.00 1.00 O ATOM 1594 CB GLU A 102 5.718 -9.394 -1.859 1.00 1.00 C ATOM 1595 CG GLU A 102 5.154 -10.774 -2.222 1.00 1.00 C ATOM 1596 CD GLU A 102 6.249 -11.830 -2.108 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.404 -11.448 -2.023 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.916 -13.003 -2.099 1.00 1.00 O ATOM 0 H GLU A 102 5.266 -6.797 -0.718 1.00 1.00 H new ATOM 0 HA GLU A 102 4.262 -8.321 -3.040 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.566 -9.158 -2.502 1.00 1.00 H new ATOM 0 HB3 GLU A 102 6.087 -9.401 -0.834 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.326 -11.024 -1.559 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.756 -10.758 -3.237 1.00 1.00 H new ATOM 1605 N ILE A 103 2.422 -9.262 -1.635 1.00 1.00 N ATOM 1606 CA ILE A 103 1.240 -9.631 -0.852 1.00 1.00 C ATOM 1607 C ILE A 103 0.923 -11.113 -1.087 1.00 1.00 C ATOM 1608 O ILE A 103 0.188 -11.445 -2.018 1.00 1.00 O ATOM 1609 CB ILE A 103 0.034 -8.784 -1.282 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.399 -7.278 -1.285 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.135 -9.043 -0.329 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.350 -6.677 0.133 1.00 1.00 C ATOM 0 H ILE A 103 2.370 -9.520 -2.621 1.00 1.00 H new ATOM 0 HA ILE A 103 1.442 -9.453 0.204 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.255 -9.066 -2.294 1.00 1.00 H new ATOM 0 HG12 ILE A 103 1.398 -7.146 -1.702 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.291 -6.738 -1.933 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -1.992 -8.442 -0.633 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.403 -10.099 -0.360 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.844 -8.772 0.686 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.612 -5.620 0.089 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.656 -6.785 0.539 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.059 -7.200 0.775 1.00 1.00 H new ATOM 1624 N PRO A 104 1.476 -12.015 -0.300 1.00 1.00 N ATOM 1625 CA PRO A 104 1.246 -13.477 -0.492 1.00 1.00 C ATOM 1626 C PRO A 104 -0.179 -13.900 -0.138 1.00 1.00 C ATOM 1627 O PRO A 104 -0.629 -14.978 -0.528 1.00 1.00 O ATOM 1628 CB PRO A 104 2.287 -14.141 0.427 1.00 1.00 C ATOM 1629 CG PRO A 104 2.571 -13.132 1.492 1.00 1.00 C ATOM 1630 CD PRO A 104 2.364 -11.752 0.858 1.00 1.00 C ATOM 0 HA PRO A 104 1.357 -13.773 -1.535 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.901 -15.067 0.854 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.192 -14.397 -0.124 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.905 -13.270 2.344 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.590 -13.238 1.864 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.907 -11.055 1.561 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.310 -11.312 0.543 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.890 -13.044 0.590 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.266 -13.345 0.976 1.00 1.00 C ATOM 1640 C ASP A 105 -3.220 -12.878 -0.117 1.00 1.00 C ATOM 1641 O ASP A 105 -3.437 -11.684 -0.298 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.595 -12.653 2.300 1.00 1.00 C ATOM 1643 CG ASP A 105 -1.871 -13.356 3.447 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.401 -14.462 3.235 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.797 -12.778 4.517 1.00 1.00 O ATOM 0 H ASP A 105 -0.541 -12.145 0.922 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.379 -14.421 1.105 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.296 -11.606 2.257 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.671 -12.671 2.472 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.764 -13.837 -0.857 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.672 -13.533 -1.958 1.00 1.00 C ATOM 1652 C GLU A 106 -5.943 -12.843 -1.477 1.00 1.00 C ATOM 1653 O GLU A 106 -6.287 -11.772 -1.967 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.032 -14.831 -2.690 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.946 -14.532 -3.882 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.221 -15.817 -4.658 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.915 -16.877 -4.135 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.730 -15.722 -5.762 1.00 1.00 O ATOM 0 H GLU A 106 -3.592 -14.832 -0.715 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.163 -12.846 -2.634 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.124 -15.326 -3.034 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.529 -15.517 -2.005 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.884 -14.099 -3.533 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.478 -13.795 -4.535 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.641 -13.455 -0.530 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.882 -12.867 -0.032 1.00 1.00 C ATOM 1667 C GLU A 107 -7.657 -11.420 0.390 1.00 1.00 C ATOM 1668 O GLU A 107 -8.457 -10.542 0.067 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.434 -13.693 1.137 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.477 -13.637 2.330 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.949 -14.597 3.415 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.400 -15.675 3.070 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.856 -14.237 4.578 1.00 1.00 O ATOM 0 H GLU A 107 -6.379 -14.340 -0.097 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.617 -12.877 -0.837 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.412 -13.312 1.430 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.575 -14.728 0.825 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.468 -13.901 2.012 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.432 -12.622 2.724 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.565 -11.175 1.097 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.242 -9.827 1.544 1.00 1.00 C ATOM 1682 C HIS A 108 -5.860 -8.941 0.359 1.00 1.00 C ATOM 1683 O HIS A 108 -6.183 -7.754 0.331 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.074 -9.875 2.528 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.485 -10.566 3.801 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.561 -11.155 4.653 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.709 -10.763 4.392 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.238 -11.671 5.695 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.550 -11.458 5.584 1.00 1.00 N ATOM 0 H HIS A 108 -5.889 -11.888 1.373 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.123 -9.408 2.031 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.232 -10.401 2.077 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.736 -8.863 2.750 1.00 1.00 H new ATOM 0 HD1 HIS A 108 -3.551 -11.190 4.514 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.654 -10.428 3.990 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.776 -12.193 6.520 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.158 -9.525 -0.610 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.718 -8.780 -1.785 1.00 1.00 C ATOM 1699 C CYS A 109 -5.905 -8.259 -2.581 1.00 1.00 C ATOM 1700 O CYS A 109 -5.824 -7.208 -3.213 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.853 -9.674 -2.689 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.960 -8.648 -3.885 1.00 1.00 S ATOM 0 H CYS A 109 -4.883 -10.507 -0.604 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.129 -7.931 -1.438 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.147 -10.244 -2.085 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.481 -10.396 -3.211 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.004 -9.003 -2.563 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.188 -8.596 -3.308 1.00 1.00 C ATOM 1709 C LEU A 110 -8.736 -7.277 -2.789 1.00 1.00 C ATOM 1710 O LEU A 110 -9.076 -6.389 -3.572 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.287 -9.659 -3.182 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.867 -10.958 -3.879 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.878 -12.058 -3.542 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.828 -10.756 -5.400 1.00 1.00 C ATOM 0 H LEU A 110 -7.100 -9.879 -2.049 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.893 -8.480 -4.351 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.491 -9.855 -2.129 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.212 -9.287 -3.622 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.873 -11.243 -3.533 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.585 -12.985 -4.035 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.902 -12.212 -2.463 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.868 -11.761 -3.888 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.528 -11.686 -5.883 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.817 -10.466 -5.754 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -8.111 -9.973 -5.645 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.833 -7.146 -1.474 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.360 -5.918 -0.902 1.00 1.00 C ATOM 1728 C LYS A 111 -8.414 -4.751 -1.170 1.00 1.00 C ATOM 1729 O LYS A 111 -8.842 -3.645 -1.505 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.569 -6.064 0.605 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.684 -7.072 0.869 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.894 -7.228 2.377 1.00 1.00 C ATOM 1733 CE LYS A 111 -11.994 -8.259 2.625 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.204 -8.425 4.090 1.00 1.00 N ATOM 0 H LYS A 111 -8.560 -7.858 -0.797 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.321 -5.718 -1.376 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.646 -6.394 1.081 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.825 -5.099 1.042 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.608 -6.739 0.396 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.429 -8.035 0.426 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.967 -7.545 2.855 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.169 -6.271 2.819 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.921 -7.938 2.149 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.719 -9.214 2.177 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.953 -9.127 4.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.321 -8.750 4.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.485 -7.514 4.506 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.126 -5.016 -0.996 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.095 -4.008 -1.199 1.00 1.00 C ATOM 1750 C PHE A 112 -6.067 -3.527 -2.646 1.00 1.00 C ATOM 1751 O PHE A 112 -6.082 -2.325 -2.910 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.744 -4.621 -0.823 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.605 -3.720 -1.255 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.430 -2.475 -0.644 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.720 -4.137 -2.260 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.372 -1.648 -1.032 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.664 -3.307 -2.650 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.489 -2.063 -2.037 1.00 1.00 C ATOM 0 H PHE A 112 -6.769 -5.928 -0.712 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.310 -3.143 -0.572 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.699 -4.780 0.254 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.639 -5.598 -1.294 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.113 -2.152 0.128 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.854 -5.099 -2.733 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.235 -0.688 -0.556 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.984 -3.627 -3.425 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.673 -1.422 -2.338 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.009 -4.471 -3.577 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.960 -4.124 -4.991 1.00 1.00 C ATOM 1770 C LEU A 113 -7.262 -3.477 -5.447 1.00 1.00 C ATOM 1771 O LEU A 113 -7.247 -2.518 -6.215 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.659 -5.373 -5.824 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.224 -5.865 -5.547 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.986 -7.154 -6.334 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.191 -4.799 -5.966 1.00 1.00 C ATOM 0 H LEU A 113 -5.995 -5.472 -3.382 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.161 -3.397 -5.138 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.374 -6.160 -5.584 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.776 -5.149 -6.884 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.108 -6.050 -4.479 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -2.974 -7.513 -6.147 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.704 -7.911 -6.018 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.110 -6.958 -7.399 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.185 -5.167 -5.762 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.293 -4.593 -7.031 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.364 -3.883 -5.401 1.00 1.00 H new ATOM 1787 N SER A 114 -8.383 -4.006 -4.981 1.00 1.00 N ATOM 1788 CA SER A 114 -9.682 -3.465 -5.361 1.00 1.00 C ATOM 1789 C SER A 114 -9.848 -2.025 -4.877 1.00 1.00 C ATOM 1790 O SER A 114 -10.304 -1.158 -5.622 1.00 1.00 O ATOM 1791 CB SER A 114 -10.789 -4.327 -4.763 1.00 1.00 C ATOM 1792 OG SER A 114 -10.653 -4.347 -3.347 1.00 1.00 O ATOM 0 H SER A 114 -8.422 -4.802 -4.345 1.00 1.00 H new ATOM 0 HA SER A 114 -9.746 -3.472 -6.449 1.00 1.00 H new ATOM 0 HB2 SER A 114 -11.765 -3.930 -5.041 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.732 -5.340 -5.160 1.00 1.00 H new ATOM 0 HG SER A 114 -9.919 -4.947 -3.097 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.488 -1.783 -3.621 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.617 -0.446 -3.044 1.00 1.00 C ATOM 1800 C ALA A 115 -8.619 0.534 -3.673 1.00 1.00 C ATOM 1801 O ALA A 115 -8.990 1.639 -4.066 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.409 -0.520 -1.523 1.00 1.00 C ATOM 0 H ALA A 115 -9.108 -2.486 -2.987 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.620 -0.075 -3.256 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.505 0.477 -1.094 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.160 -1.178 -1.085 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.414 -0.912 -1.310 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.357 0.124 -3.765 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.321 0.979 -4.350 1.00 1.00 C ATOM 1810 C VAL A 116 -6.592 1.237 -5.830 1.00 1.00 C ATOM 1811 O VAL A 116 -6.457 2.364 -6.305 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.945 0.325 -4.177 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.892 1.070 -5.005 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.545 0.368 -2.701 1.00 1.00 C ATOM 0 H VAL A 116 -7.026 -0.786 -3.446 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.336 1.936 -3.829 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.001 -0.708 -4.519 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.921 0.594 -4.872 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.169 1.040 -6.059 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.836 2.107 -4.674 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.567 -0.096 -2.575 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.500 1.404 -2.366 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.282 -0.173 -2.108 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.964 0.193 -6.555 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.235 0.335 -7.977 1.00 1.00 C ATOM 1826 C LEU A 117 -8.354 1.334 -8.200 1.00 1.00 C ATOM 1827 O LEU A 117 -8.264 2.202 -9.063 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.647 -1.023 -8.557 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.103 -0.871 -10.015 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.002 -0.202 -10.843 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.402 -2.259 -10.581 1.00 1.00 C ATOM 0 H LEU A 117 -7.084 -0.751 -6.188 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.333 0.692 -8.474 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.808 -1.717 -8.503 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.453 -1.450 -7.961 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.997 -0.249 -10.057 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.335 -0.099 -11.876 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.785 0.784 -10.431 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.101 -0.814 -10.812 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.727 -2.167 -11.617 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.502 -2.872 -10.536 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.190 -2.729 -9.993 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.407 1.197 -7.420 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.549 2.086 -7.540 1.00 1.00 C ATOM 1845 C ALA A 118 -10.137 3.517 -7.227 1.00 1.00 C ATOM 1846 O ALA A 118 -10.608 4.462 -7.861 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.658 1.639 -6.587 1.00 1.00 C ATOM 0 H ALA A 118 -9.498 0.482 -6.698 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.922 2.046 -8.564 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.512 2.310 -6.682 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.965 0.623 -6.837 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.289 1.664 -5.562 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.256 3.674 -6.250 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.791 4.999 -5.873 1.00 1.00 C ATOM 1855 C ALA A 119 -8.055 5.663 -7.032 1.00 1.00 C ATOM 1856 O ALA A 119 -8.344 6.802 -7.383 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.860 4.906 -4.661 1.00 1.00 C ATOM 0 H ALA A 119 -8.853 2.909 -5.709 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.660 5.604 -5.616 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.518 5.904 -4.388 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.398 4.464 -3.822 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.001 4.283 -4.909 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.103 4.946 -7.625 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.341 5.499 -8.742 1.00 1.00 C ATOM 1865 C GLN A 120 -7.201 5.613 -10.000 1.00 1.00 C ATOM 1866 O GLN A 120 -7.054 6.553 -10.781 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.108 4.634 -9.033 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.071 4.826 -7.924 1.00 1.00 C ATOM 1869 CD GLN A 120 -2.816 4.013 -8.231 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -2.877 2.789 -8.336 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -1.669 4.628 -8.380 1.00 1.00 N ATOM 0 H GLN A 120 -6.844 3.997 -7.357 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.017 6.500 -8.456 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.395 3.585 -9.098 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.679 4.908 -9.997 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -3.816 5.882 -7.833 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.490 4.515 -6.967 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.619 5.643 -8.293 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -0.825 4.092 -8.583 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.089 4.647 -10.187 1.00 1.00 N ATOM 1881 CA LYS A 121 -8.969 4.634 -11.347 1.00 1.00 C ATOM 1882 C LYS A 121 -9.857 5.874 -11.334 1.00 1.00 C ATOM 1883 O LYS A 121 -10.039 6.534 -12.357 1.00 1.00 O ATOM 1884 CB LYS A 121 -9.831 3.372 -11.300 1.00 1.00 C ATOM 1885 CG LYS A 121 -10.684 3.241 -12.563 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.538 1.979 -12.429 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.394 1.779 -13.683 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.211 0.534 -13.540 1.00 1.00 N ATOM 0 H LYS A 121 -8.219 3.861 -9.550 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.376 4.638 -12.262 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.192 2.495 -11.196 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.477 3.401 -10.422 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.318 4.119 -12.687 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.049 3.179 -13.447 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.895 1.112 -12.277 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.180 2.058 -11.551 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.047 2.639 -13.831 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -11.756 1.708 -14.564 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -13.792 0.400 -14.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.580 -0.284 -13.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.831 0.619 -12.709 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.404 6.181 -10.162 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.274 7.346 -10.013 1.00 1.00 C ATOM 1904 C ALA A 122 -10.512 8.648 -10.285 1.00 1.00 C ATOM 1905 O ALA A 122 -11.045 9.559 -10.919 1.00 1.00 O ATOM 1906 CB ALA A 122 -11.858 7.384 -8.598 1.00 1.00 C ATOM 0 H ALA A 122 -10.263 5.644 -9.306 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.079 7.259 -10.743 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.505 8.255 -8.495 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.437 6.478 -8.419 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.048 7.446 -7.872 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.275 8.735 -9.801 1.00 1.00 N ATOM 1913 CA GLN A 123 -8.475 9.943 -10.005 1.00 1.00 C ATOM 1914 C GLN A 123 -8.135 10.122 -11.483 1.00 1.00 C ATOM 1915 O GLN A 123 -8.176 11.236 -12.008 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.183 9.877 -9.186 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.518 9.942 -7.695 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.238 9.872 -6.866 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.140 9.825 -7.420 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.314 9.873 -5.563 1.00 1.00 N ATOM 0 H GLN A 123 -8.809 7.997 -9.273 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.065 10.797 -9.672 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -6.646 8.955 -9.409 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -6.525 10.703 -9.458 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.053 10.866 -7.475 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.180 9.118 -7.427 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.225 9.912 -5.105 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.463 9.835 -5.002 1.00 1.00 H new ATOM 1929 N SER A 124 -7.799 9.021 -12.146 1.00 1.00 N ATOM 1930 CA SER A 124 -7.452 9.065 -13.563 1.00 1.00 C ATOM 1931 C SER A 124 -8.713 9.077 -14.422 1.00 1.00 C ATOM 1932 O SER A 124 -9.682 9.691 -14.008 1.00 1.00 O ATOM 1933 CB SER A 124 -6.596 7.852 -13.930 1.00 1.00 C ATOM 1934 OG SER A 124 -5.983 8.074 -15.194 1.00 1.00 O ATOM 1935 OXT SER A 124 -8.691 8.471 -15.481 1.00 1.00 O ATOM 0 H SER A 124 -7.759 8.091 -11.728 1.00 1.00 H new ATOM 0 HA SER A 124 -6.887 9.978 -13.751 1.00 1.00 H new ATOM 0 HB2 SER A 124 -5.835 7.686 -13.168 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.213 6.954 -13.965 1.00 1.00 H new ATOM 0 HG SER A 124 -6.670 8.295 -15.857 1.00 1.00 H new