USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 771 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 54 SER OG : rot -116:sc= 0.969 USER MOD Set 1.2: A 63 HIS : no HD1:sc= 0.883 K(o=1.9,f=-4.4) USER MOD Set 2.1: A 45 SER OG : rot 105:sc= 0.442 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -3.26! X(o=-2.5!,f=-2.7) USER MOD Set 2.3: A 52 THR OG1 : rot -170:sc= 0.402 USER MOD Set 2.4: A 65 MET CE :methyl -131:sc= -0.118 (180deg=-2.5) USER MOD Set 3.1: A 35 GLN : amide:sc= -0.427 K(o=-0.15,f=-3!) USER MOD Set 3.2: A 39 SER OG : rot 87:sc= 0.274 USER MOD Single : A 20 HIS : no HE2:sc= -5.82 K(o=-5.8,f=-4.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.362 K(o=0.36,f=-0.83) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.02) USER MOD Single : A 47 SER OG : rot 180:sc= -0.194 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 72:sc= 0.125 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0942) USER MOD Single : A 58 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 56:sc= 1.3 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0101 USER MOD Single : A 62 CYS SG : rot -114:sc= 1.65 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -0.0967 (180deg=-0.221) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 75 MET CE :methyl 165:sc= -2.78! (180deg=-2.89!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -6.89! C(o=-6.9!,f=-5.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 85 SER OG : rot 15:sc= 0.107 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-4.2!) USER MOD Single : A 94 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.5) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 96 LYS NZ :NH3+ -159:sc=0.000964 (180deg=-0.0666) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.705! USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 109 CYS SG : rot 130:sc= -0.539 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.574 1.763 -15.814 1.00 0.00 N ATOM 156 CA VAL A 15 -6.765 2.114 -14.653 1.00 0.00 C ATOM 157 C VAL A 15 -6.479 3.610 -14.614 1.00 0.00 C ATOM 158 O VAL A 15 -5.973 4.196 -15.570 1.00 0.00 O ATOM 159 CB VAL A 15 -5.430 1.347 -14.647 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.511 1.882 -13.560 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.672 -0.144 -14.465 1.00 0.00 C ATOM 0 HA VAL A 15 -7.340 1.834 -13.770 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.941 1.498 -15.610 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.573 1.328 -13.571 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.311 2.938 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.990 1.764 -12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.717 -0.670 -14.463 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.183 -0.317 -13.518 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.289 -0.515 -15.283 1.00 0.00 H new ATOM 171 N PRO A 16 -6.811 4.246 -13.480 1.00 0.00 N ATOM 172 CA PRO A 16 -6.597 5.684 -13.288 1.00 0.00 C ATOM 173 C PRO A 16 -5.120 6.040 -13.170 1.00 0.00 C ATOM 174 O PRO A 16 -4.251 5.189 -13.355 1.00 0.00 O ATOM 175 CB PRO A 16 -7.324 5.977 -11.973 1.00 0.00 C ATOM 176 CG PRO A 16 -7.328 4.679 -11.243 1.00 0.00 C ATOM 177 CD PRO A 16 -7.419 3.612 -12.299 1.00 0.00 C ATOM 0 HA PRO A 16 -6.963 6.267 -14.133 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.811 6.751 -11.401 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.338 6.333 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.422 4.563 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.171 4.620 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.881 2.710 -12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.452 3.320 -12.487 1.00 0.00 H new ATOM 185 N GLU A 17 -4.843 7.303 -12.862 1.00 0.00 N ATOM 186 CA GLU A 17 -3.468 7.771 -12.721 1.00 0.00 C ATOM 187 C GLU A 17 -3.009 7.677 -11.269 1.00 0.00 C ATOM 188 O GLU A 17 -1.817 7.538 -10.992 1.00 0.00 O ATOM 189 CB GLU A 17 -3.344 9.213 -13.215 1.00 0.00 C ATOM 190 CG GLU A 17 -4.134 10.212 -12.386 1.00 0.00 C ATOM 191 CD GLU A 17 -4.582 11.415 -13.191 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.421 11.243 -14.099 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.093 12.530 -12.914 1.00 0.00 O ATOM 0 H GLU A 17 -5.551 8.020 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.828 7.131 -13.328 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.293 9.501 -13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.683 9.264 -14.250 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.008 9.717 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.522 10.548 -11.549 1.00 0.00 H new ATOM 200 N TRP A 18 -3.961 7.758 -10.347 1.00 0.00 N ATOM 201 CA TRP A 18 -3.654 7.682 -8.922 1.00 0.00 C ATOM 202 C TRP A 18 -3.410 6.240 -8.493 1.00 0.00 C ATOM 203 O TRP A 18 -3.058 5.976 -7.344 1.00 0.00 O ATOM 204 CB TRP A 18 -4.796 8.285 -8.102 1.00 0.00 C ATOM 205 CG TRP A 18 -6.122 7.639 -8.366 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.113 8.106 -9.181 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.603 6.410 -7.811 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.181 7.241 -9.167 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.893 6.193 -8.335 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.069 5.471 -6.924 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.653 5.076 -7.998 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.826 4.363 -6.592 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.105 4.173 -7.128 1.00 0.00 C ATOM 0 H TRP A 18 -4.952 7.876 -10.559 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.744 8.253 -8.741 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.560 8.194 -7.042 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.869 9.350 -8.322 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.065 9.021 -9.753 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -9.048 7.361 -9.692 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.083 5.609 -6.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.641 4.927 -8.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.424 3.631 -5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.671 3.296 -6.849 1.00 0.00 H new ATOM 224 N PHE A 19 -3.596 5.310 -9.425 1.00 0.00 N ATOM 225 CA PHE A 19 -3.395 3.894 -9.141 1.00 0.00 C ATOM 226 C PHE A 19 -2.144 3.372 -9.840 1.00 0.00 C ATOM 227 O PHE A 19 -2.206 2.885 -10.969 1.00 0.00 O ATOM 228 CB PHE A 19 -4.616 3.085 -9.586 1.00 0.00 C ATOM 229 CG PHE A 19 -4.574 1.648 -9.152 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.636 1.315 -7.809 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.472 0.631 -10.087 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.597 -0.007 -7.406 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.432 -0.693 -9.690 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.496 -1.011 -8.348 1.00 0.00 C ATOM 0 H PHE A 19 -3.885 5.512 -10.382 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.264 3.780 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.516 3.551 -9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.693 3.126 -10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.716 2.097 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.423 0.875 -11.138 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.645 -0.254 -6.356 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.351 -1.477 -10.428 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.467 -2.044 -8.035 1.00 0.00 H new ATOM 244 N HIS A 20 -1.005 3.477 -9.159 1.00 0.00 N ATOM 245 CA HIS A 20 0.262 3.015 -9.713 1.00 0.00 C ATOM 246 C HIS A 20 0.432 1.514 -9.503 1.00 0.00 C ATOM 247 O HIS A 20 1.523 1.041 -9.188 1.00 0.00 O ATOM 248 CB HIS A 20 1.428 3.768 -9.070 1.00 0.00 C ATOM 249 CG HIS A 20 1.314 5.257 -9.182 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.138 6.017 -9.984 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.463 6.127 -8.588 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.801 7.290 -9.877 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.787 7.383 -9.036 1.00 0.00 N ATOM 0 H HIS A 20 -0.935 3.878 -8.224 1.00 0.00 H new ATOM 0 HA HIS A 20 0.257 3.215 -10.784 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.489 3.495 -8.017 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.359 3.447 -9.537 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.890 5.653 -10.569 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.324 5.879 -7.891 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.274 8.114 -10.390 1.00 0.00 H new ATOM 261 N GLY A 21 -0.655 0.769 -9.679 1.00 0.00 N ATOM 262 CA GLY A 21 -0.604 -0.670 -9.504 1.00 0.00 C ATOM 263 C GLY A 21 0.250 -1.081 -8.321 1.00 0.00 C ATOM 264 O GLY A 21 -0.193 -1.014 -7.174 1.00 0.00 O ATOM 0 H GLY A 21 -1.570 1.137 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.616 -1.052 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.209 -1.129 -10.410 1.00 0.00 H new ATOM 268 N ALA A 22 1.478 -1.507 -8.599 1.00 0.00 N ATOM 269 CA ALA A 22 2.396 -1.930 -7.549 1.00 0.00 C ATOM 270 C ALA A 22 3.767 -1.286 -7.726 1.00 0.00 C ATOM 271 O ALA A 22 4.588 -1.758 -8.513 1.00 0.00 O ATOM 272 CB ALA A 22 2.520 -3.446 -7.535 1.00 0.00 C ATOM 0 H ALA A 22 1.860 -1.568 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 22 1.990 -1.601 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.209 -3.747 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.541 -3.889 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.899 -3.789 -8.498 1.00 0.00 H new ATOM 278 N ILE A 23 4.006 -0.205 -6.992 1.00 0.00 N ATOM 279 CA ILE A 23 5.279 0.503 -7.068 1.00 0.00 C ATOM 280 C ILE A 23 6.121 0.258 -5.821 1.00 0.00 C ATOM 281 O ILE A 23 5.723 -0.491 -4.929 1.00 0.00 O ATOM 282 CB ILE A 23 5.070 2.019 -7.243 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.981 2.519 -6.291 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.708 2.341 -8.685 1.00 0.00 C ATOM 285 CD1 ILE A 23 3.859 4.026 -6.252 1.00 0.00 C ATOM 0 H ILE A 23 3.336 0.200 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 23 5.805 0.113 -7.940 1.00 0.00 H new ATOM 0 HB ILE A 23 6.002 2.530 -7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.024 2.093 -6.591 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.192 2.153 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.564 3.416 -8.793 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.513 2.015 -9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.788 1.823 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.068 4.309 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.804 4.459 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.617 4.397 -7.248 1.00 0.00 H new ATOM 297 N SER A 24 7.286 0.896 -5.765 1.00 0.00 N ATOM 298 CA SER A 24 8.185 0.746 -4.626 1.00 0.00 C ATOM 299 C SER A 24 8.234 2.028 -3.800 1.00 0.00 C ATOM 300 O SER A 24 8.218 3.132 -4.346 1.00 0.00 O ATOM 301 CB SER A 24 9.591 0.382 -5.106 1.00 0.00 C ATOM 302 OG SER A 24 9.563 -0.759 -5.947 1.00 0.00 O ATOM 0 H SER A 24 7.629 1.521 -6.494 1.00 0.00 H new ATOM 0 HA SER A 24 7.803 -0.057 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.024 1.225 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.233 0.189 -4.247 1.00 0.00 H new ATOM 0 HG SER A 24 10.473 -0.970 -6.242 1.00 0.00 H new ATOM 308 N ARG A 25 8.294 1.873 -2.481 1.00 0.00 N ATOM 309 CA ARG A 25 8.344 3.017 -1.579 1.00 0.00 C ATOM 310 C ARG A 25 9.159 4.154 -2.188 1.00 0.00 C ATOM 311 O ARG A 25 8.854 5.328 -1.982 1.00 0.00 O ATOM 312 CB ARG A 25 8.945 2.606 -0.234 1.00 0.00 C ATOM 313 CG ARG A 25 8.485 3.469 0.928 1.00 0.00 C ATOM 314 CD ARG A 25 9.356 4.707 1.082 1.00 0.00 C ATOM 315 NE ARG A 25 10.552 4.439 1.876 1.00 0.00 N ATOM 316 CZ ARG A 25 11.661 5.167 1.804 1.00 0.00 C ATOM 317 NH1 ARG A 25 11.724 6.203 0.978 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.708 4.861 2.559 1.00 0.00 N ATOM 0 H ARG A 25 8.309 0.966 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 25 7.325 3.369 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.683 1.568 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.032 2.653 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.449 3.769 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.513 2.886 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.649 5.069 0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.777 5.501 1.554 1.00 0.00 H new ATOM 0 HE ARG A 25 10.535 3.649 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.920 6.442 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.576 6.761 0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.662 4.066 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.559 5.421 2.502 1.00 0.00 H new ATOM 332 N GLU A 26 10.199 3.796 -2.936 1.00 0.00 N ATOM 333 CA GLU A 26 11.058 4.786 -3.572 1.00 0.00 C ATOM 334 C GLU A 26 10.326 5.490 -4.712 1.00 0.00 C ATOM 335 O GLU A 26 10.354 6.716 -4.818 1.00 0.00 O ATOM 336 CB GLU A 26 12.332 4.124 -4.101 1.00 0.00 C ATOM 337 CG GLU A 26 12.069 3.007 -5.097 1.00 0.00 C ATOM 338 CD GLU A 26 13.345 2.352 -5.589 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.038 2.964 -6.429 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.650 1.230 -5.135 1.00 0.00 O ATOM 0 H GLU A 26 10.466 2.828 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 26 11.328 5.530 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.956 4.882 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.899 3.724 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.434 2.253 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.518 3.407 -5.949 1.00 0.00 H new ATOM 347 N ASP A 27 9.674 4.705 -5.561 1.00 0.00 N ATOM 348 CA ASP A 27 8.934 5.251 -6.693 1.00 0.00 C ATOM 349 C ASP A 27 7.854 6.220 -6.221 1.00 0.00 C ATOM 350 O ASP A 27 7.771 7.352 -6.697 1.00 0.00 O ATOM 351 CB ASP A 27 8.302 4.123 -7.510 1.00 0.00 C ATOM 352 CG ASP A 27 9.249 3.561 -8.551 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.244 2.915 -8.161 1.00 0.00 O ATOM 354 OD2 ASP A 27 8.995 3.767 -9.756 1.00 0.00 O ATOM 0 H ASP A 27 9.642 3.688 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 27 9.636 5.796 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.989 3.323 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.404 4.495 -8.003 1.00 0.00 H new ATOM 359 N ALA A 28 7.031 5.767 -5.281 1.00 0.00 N ATOM 360 CA ALA A 28 5.957 6.594 -4.744 1.00 0.00 C ATOM 361 C ALA A 28 6.485 7.950 -4.288 1.00 0.00 C ATOM 362 O ALA A 28 6.016 8.993 -4.742 1.00 0.00 O ATOM 363 CB ALA A 28 5.267 5.879 -3.592 1.00 0.00 C ATOM 0 H ALA A 28 7.087 4.833 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 28 5.230 6.765 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.467 6.508 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.848 4.938 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.991 5.679 -2.802 1.00 0.00 H new ATOM 369 N GLU A 29 7.461 7.927 -3.386 1.00 0.00 N ATOM 370 CA GLU A 29 8.051 9.156 -2.868 1.00 0.00 C ATOM 371 C GLU A 29 8.589 10.022 -4.003 1.00 0.00 C ATOM 372 O GLU A 29 8.418 11.241 -4.003 1.00 0.00 O ATOM 373 CB GLU A 29 9.175 8.832 -1.882 1.00 0.00 C ATOM 374 CG GLU A 29 8.681 8.489 -0.487 1.00 0.00 C ATOM 375 CD GLU A 29 9.674 8.871 0.594 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.892 8.813 0.329 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.230 9.228 1.706 1.00 0.00 O ATOM 0 H GLU A 29 7.860 7.072 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 29 7.271 9.712 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.756 7.995 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.850 9.686 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.736 9.001 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.481 7.419 -0.429 1.00 0.00 H new ATOM 384 N ASN A 30 9.240 9.383 -4.969 1.00 0.00 N ATOM 385 CA ASN A 30 9.804 10.095 -6.111 1.00 0.00 C ATOM 386 C ASN A 30 8.701 10.596 -7.038 1.00 0.00 C ATOM 387 O ASN A 30 8.884 11.573 -7.767 1.00 0.00 O ATOM 388 CB ASN A 30 10.762 9.186 -6.882 1.00 0.00 C ATOM 389 CG ASN A 30 12.181 9.258 -6.352 1.00 0.00 C ATOM 390 OD1 ASN A 30 13.069 9.817 -6.997 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.401 8.692 -5.172 1.00 0.00 N ATOM 0 H ASN A 30 9.390 8.374 -4.984 1.00 0.00 H new ATOM 0 HA ASN A 30 10.356 10.956 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.407 8.157 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.756 9.467 -7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.336 8.709 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.635 8.240 -4.673 1.00 0.00 H new ATOM 398 N LEU A 31 7.558 9.921 -7.008 1.00 0.00 N ATOM 399 CA LEU A 31 6.424 10.297 -7.845 1.00 0.00 C ATOM 400 C LEU A 31 5.753 11.561 -7.317 1.00 0.00 C ATOM 401 O LEU A 31 5.161 12.327 -8.080 1.00 0.00 O ATOM 402 CB LEU A 31 5.409 9.155 -7.908 1.00 0.00 C ATOM 403 CG LEU A 31 5.609 8.140 -9.034 1.00 0.00 C ATOM 404 CD1 LEU A 31 4.987 6.802 -8.664 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.017 8.663 -10.334 1.00 0.00 C ATOM 0 H LEU A 31 7.391 9.110 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 31 6.797 10.498 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.432 8.622 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.413 9.586 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 31 6.679 7.992 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.139 6.093 -9.477 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.457 6.421 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.919 6.933 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.168 7.928 -11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.950 8.840 -10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.508 9.597 -10.608 1.00 0.00 H new ATOM 417 N LEU A 32 5.850 11.774 -6.011 1.00 0.00 N ATOM 418 CA LEU A 32 5.254 12.947 -5.380 1.00 0.00 C ATOM 419 C LEU A 32 6.290 14.050 -5.192 1.00 0.00 C ATOM 420 O LEU A 32 5.961 15.236 -5.215 1.00 0.00 O ATOM 421 CB LEU A 32 4.642 12.570 -4.031 1.00 0.00 C ATOM 422 CG LEU A 32 3.643 11.412 -4.046 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.405 10.893 -2.636 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.331 11.848 -4.684 1.00 0.00 C ATOM 0 H LEU A 32 6.336 11.150 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 32 4.468 13.321 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.451 12.316 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.143 13.449 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 32 4.064 10.603 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.692 10.070 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.347 10.542 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.006 11.695 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.632 11.012 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.906 12.674 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.514 12.170 -5.709 1.00 0.00 H new ATOM 436 N GLU A 33 7.545 13.651 -5.005 1.00 0.00 N ATOM 437 CA GLU A 33 8.630 14.606 -4.814 1.00 0.00 C ATOM 438 C GLU A 33 8.619 15.667 -5.909 1.00 0.00 C ATOM 439 O GLU A 33 8.712 16.863 -5.631 1.00 0.00 O ATOM 440 CB GLU A 33 9.978 13.883 -4.801 1.00 0.00 C ATOM 441 CG GLU A 33 10.627 13.782 -6.171 1.00 0.00 C ATOM 442 CD GLU A 33 11.969 13.077 -6.130 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.692 13.233 -5.124 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.297 12.369 -7.106 1.00 0.00 O ATOM 0 H GLU A 33 7.835 12.673 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 33 8.482 15.099 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.655 14.406 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.839 12.879 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.960 13.246 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.759 14.783 -6.581 1.00 0.00 H new ATOM 451 N SER A 34 8.506 15.222 -7.157 1.00 0.00 N ATOM 452 CA SER A 34 8.488 16.132 -8.295 1.00 0.00 C ATOM 453 C SER A 34 7.068 16.610 -8.586 1.00 0.00 C ATOM 454 O SER A 34 6.746 16.977 -9.715 1.00 0.00 O ATOM 455 CB SER A 34 9.071 15.448 -9.533 1.00 0.00 C ATOM 456 OG SER A 34 9.657 16.394 -10.410 1.00 0.00 O ATOM 0 H SER A 34 8.426 14.236 -7.405 1.00 0.00 H new ATOM 0 HA SER A 34 9.101 16.998 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.820 14.716 -9.229 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.285 14.902 -10.055 1.00 0.00 H new ATOM 0 HG SER A 34 10.024 15.932 -11.192 1.00 0.00 H new ATOM 462 N GLN A 35 6.226 16.601 -7.559 1.00 0.00 N ATOM 463 CA GLN A 35 4.841 17.033 -7.704 1.00 0.00 C ATOM 464 C GLN A 35 4.505 18.133 -6.702 1.00 0.00 C ATOM 465 O GLN A 35 5.116 18.245 -5.639 1.00 0.00 O ATOM 466 CB GLN A 35 3.893 15.847 -7.514 1.00 0.00 C ATOM 467 CG GLN A 35 4.014 14.790 -8.601 1.00 0.00 C ATOM 468 CD GLN A 35 3.542 15.287 -9.953 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.623 16.103 -10.040 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.167 14.797 -11.016 1.00 0.00 N ATOM 0 H GLN A 35 6.478 16.300 -6.618 1.00 0.00 H new ATOM 0 HA GLN A 35 4.715 17.433 -8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.091 15.386 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.867 16.214 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.053 14.471 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.432 13.914 -8.317 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.923 14.123 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.891 15.095 -11.952 1.00 0.00 H new ATOM 479 N PRO A 36 3.512 18.965 -7.048 1.00 0.00 N ATOM 480 CA PRO A 36 3.073 20.072 -6.192 1.00 0.00 C ATOM 481 C PRO A 36 2.359 19.585 -4.935 1.00 0.00 C ATOM 482 O PRO A 36 1.715 18.535 -4.942 1.00 0.00 O ATOM 483 CB PRO A 36 2.106 20.851 -7.087 1.00 0.00 C ATOM 484 CG PRO A 36 1.604 19.847 -8.067 1.00 0.00 C ATOM 485 CD PRO A 36 2.741 18.890 -8.300 1.00 0.00 C ATOM 0 HA PRO A 36 3.913 20.665 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.289 21.281 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.610 21.677 -7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.729 19.326 -7.678 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.302 20.327 -8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.382 17.879 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.343 19.183 -9.161 1.00 0.00 H new ATOM 493 N LEU A 37 2.479 20.353 -3.858 1.00 0.00 N ATOM 494 CA LEU A 37 1.843 20.000 -2.593 1.00 0.00 C ATOM 495 C LEU A 37 0.378 19.631 -2.803 1.00 0.00 C ATOM 496 O LEU A 37 -0.376 20.374 -3.430 1.00 0.00 O ATOM 497 CB LEU A 37 1.953 21.161 -1.603 1.00 0.00 C ATOM 498 CG LEU A 37 2.030 20.777 -0.125 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.792 19.998 0.289 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.289 19.969 0.152 1.00 0.00 C ATOM 0 H LEU A 37 3.010 21.223 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 37 2.361 19.132 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.840 21.743 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.092 21.815 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 37 2.073 21.692 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.865 19.733 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.094 20.612 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.717 19.090 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.327 19.705 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.277 19.060 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.166 20.563 -0.105 1.00 0.00 H new ATOM 512 N GLY A 38 -0.020 18.480 -2.270 1.00 0.00 N ATOM 513 CA GLY A 38 -1.395 18.035 -2.409 1.00 0.00 C ATOM 514 C GLY A 38 -1.521 16.807 -3.288 1.00 0.00 C ATOM 515 O GLY A 38 -2.481 16.047 -3.171 1.00 0.00 O ATOM 0 H GLY A 38 0.584 17.848 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.804 17.816 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.994 18.842 -2.830 1.00 0.00 H new ATOM 519 N SER A 39 -0.549 16.615 -4.176 1.00 0.00 N ATOM 520 CA SER A 39 -0.559 15.475 -5.084 1.00 0.00 C ATOM 521 C SER A 39 -0.674 14.165 -4.310 1.00 0.00 C ATOM 522 O SER A 39 0.197 13.823 -3.511 1.00 0.00 O ATOM 523 CB SER A 39 0.711 15.465 -5.938 1.00 0.00 C ATOM 524 OG SER A 39 0.825 16.657 -6.695 1.00 0.00 O ATOM 0 H SER A 39 0.254 17.234 -4.285 1.00 0.00 H new ATOM 0 HA SER A 39 -1.427 15.569 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.584 15.354 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.696 14.605 -6.608 1.00 0.00 H new ATOM 0 HG SER A 39 1.276 17.343 -6.159 1.00 0.00 H new ATOM 530 N PHE A 40 -1.759 13.436 -4.553 1.00 0.00 N ATOM 531 CA PHE A 40 -1.991 12.163 -3.878 1.00 0.00 C ATOM 532 C PHE A 40 -1.831 10.997 -4.848 1.00 0.00 C ATOM 533 O PHE A 40 -1.965 11.160 -6.062 1.00 0.00 O ATOM 534 CB PHE A 40 -3.390 12.138 -3.258 1.00 0.00 C ATOM 535 CG PHE A 40 -4.490 11.975 -4.268 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.858 10.715 -4.713 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.154 13.081 -4.773 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.871 10.562 -5.642 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.168 12.933 -5.702 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.525 11.672 -6.137 1.00 0.00 C ATOM 0 H PHE A 40 -2.491 13.704 -5.211 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.249 12.059 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.445 11.322 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.550 13.063 -2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.348 9.843 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.877 14.070 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.150 9.575 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.680 13.803 -6.087 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.315 11.554 -6.864 1.00 0.00 H new ATOM 550 N LEU A 41 -1.543 9.818 -4.305 1.00 0.00 N ATOM 551 CA LEU A 41 -1.363 8.623 -5.121 1.00 0.00 C ATOM 552 C LEU A 41 -1.432 7.363 -4.265 1.00 0.00 C ATOM 553 O LEU A 41 -1.067 7.380 -3.089 1.00 0.00 O ATOM 554 CB LEU A 41 -0.023 8.680 -5.858 1.00 0.00 C ATOM 555 CG LEU A 41 1.168 8.051 -5.134 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.266 8.578 -3.710 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.052 6.534 -5.137 1.00 0.00 C ATOM 0 H LEU A 41 -1.429 9.665 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.171 8.588 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.140 8.185 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.212 9.724 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 41 2.079 8.327 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.119 8.119 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.396 9.660 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.353 8.333 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.908 6.103 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.133 6.238 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.032 6.173 -6.165 1.00 0.00 H new ATOM 569 N ILE A 42 -1.900 6.273 -4.862 1.00 0.00 N ATOM 570 CA ILE A 42 -2.014 5.004 -4.154 1.00 0.00 C ATOM 571 C ILE A 42 -1.191 3.917 -4.837 1.00 0.00 C ATOM 572 O ILE A 42 -0.972 3.960 -6.049 1.00 0.00 O ATOM 573 CB ILE A 42 -3.480 4.540 -4.061 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.341 5.627 -3.415 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.575 3.242 -3.273 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.825 5.333 -3.468 1.00 0.00 C ATOM 0 H ILE A 42 -2.207 6.243 -5.834 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.629 5.169 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.854 4.358 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.040 5.748 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.149 6.576 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.617 2.927 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.989 2.470 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.187 3.398 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.374 6.145 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.141 5.242 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.030 4.400 -2.943 1.00 0.00 H new ATOM 588 N ARG A 43 -0.739 2.943 -4.055 1.00 0.00 N ATOM 589 CA ARG A 43 0.059 1.845 -4.585 1.00 0.00 C ATOM 590 C ARG A 43 -0.292 0.532 -3.890 1.00 0.00 C ATOM 591 O ARG A 43 -0.175 0.413 -2.669 1.00 0.00 O ATOM 592 CB ARG A 43 1.550 2.141 -4.414 1.00 0.00 C ATOM 593 CG ARG A 43 1.973 2.326 -2.966 1.00 0.00 C ATOM 594 CD ARG A 43 3.155 3.275 -2.847 1.00 0.00 C ATOM 595 NE ARG A 43 3.565 3.469 -1.460 1.00 0.00 N ATOM 596 CZ ARG A 43 4.381 2.645 -0.812 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.871 1.577 -1.424 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.707 2.890 0.451 1.00 0.00 N ATOM 0 H ARG A 43 -0.912 2.892 -3.051 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.166 1.746 -5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.126 1.325 -4.850 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.799 3.042 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.134 2.714 -2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.237 1.359 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.994 2.882 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.892 4.238 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 43 3.205 4.282 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.622 1.386 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.497 0.946 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.331 3.711 0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.334 2.257 0.948 1.00 0.00 H new ATOM 612 N VAL A 44 -0.724 -0.449 -4.674 1.00 0.00 N ATOM 613 CA VAL A 44 -1.092 -1.753 -4.135 1.00 0.00 C ATOM 614 C VAL A 44 -0.118 -2.193 -3.048 1.00 0.00 C ATOM 615 O VAL A 44 1.094 -2.227 -3.262 1.00 0.00 O ATOM 616 CB VAL A 44 -1.130 -2.827 -5.239 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.283 -4.212 -4.632 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.256 -2.540 -6.221 1.00 0.00 C ATOM 0 H VAL A 44 -0.828 -0.366 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.088 -1.648 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.186 -2.797 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.308 -4.957 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.440 -4.415 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.211 -4.259 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.269 -3.308 -6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.209 -2.542 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.098 -1.565 -6.681 1.00 0.00 H new ATOM 628 N SER A 45 -0.656 -2.531 -1.880 1.00 0.00 N ATOM 629 CA SER A 45 0.166 -2.966 -0.757 1.00 0.00 C ATOM 630 C SER A 45 0.548 -4.436 -0.900 1.00 0.00 C ATOM 631 O SER A 45 -0.111 -5.194 -1.614 1.00 0.00 O ATOM 632 CB SER A 45 -0.577 -2.746 0.562 1.00 0.00 C ATOM 633 OG SER A 45 0.328 -2.499 1.623 1.00 0.00 O ATOM 0 H SER A 45 -1.657 -2.512 -1.687 1.00 0.00 H new ATOM 0 HA SER A 45 1.079 -2.370 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.262 -1.904 0.461 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.182 -3.623 0.793 1.00 0.00 H new ATOM 0 HG SER A 45 0.315 -1.546 1.849 1.00 0.00 H new ATOM 639 N HIS A 46 1.617 -4.832 -0.218 1.00 0.00 N ATOM 640 CA HIS A 46 2.088 -6.212 -0.267 1.00 0.00 C ATOM 641 C HIS A 46 2.261 -6.779 1.139 1.00 0.00 C ATOM 642 O HIS A 46 1.911 -7.929 1.402 1.00 0.00 O ATOM 643 CB HIS A 46 3.411 -6.295 -1.031 1.00 0.00 C ATOM 644 CG HIS A 46 3.312 -5.835 -2.452 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.495 -4.522 -2.832 1.00 0.00 N ATOM 646 CD2 HIS A 46 3.049 -6.521 -3.589 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.347 -4.421 -4.142 1.00 0.00 C ATOM 648 NE2 HIS A 46 3.077 -5.620 -4.624 1.00 0.00 N ATOM 0 H HIS A 46 2.174 -4.217 0.375 1.00 0.00 H new ATOM 0 HA HIS A 46 1.338 -6.807 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.158 -5.693 -0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.766 -7.325 -1.015 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.854 -7.580 -3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.432 -3.512 -4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.915 -5.841 -5.607 1.00 0.00 H new ATOM 656 N SER A 47 2.804 -5.963 2.037 1.00 0.00 N ATOM 657 CA SER A 47 3.029 -6.385 3.414 1.00 0.00 C ATOM 658 C SER A 47 1.722 -6.826 4.067 1.00 0.00 C ATOM 659 O SER A 47 1.639 -7.910 4.647 1.00 0.00 O ATOM 660 CB SER A 47 3.656 -5.247 4.222 1.00 0.00 C ATOM 661 OG SER A 47 2.771 -4.144 4.322 1.00 0.00 O ATOM 0 H SER A 47 3.096 -5.007 1.836 1.00 0.00 H new ATOM 0 HA SER A 47 3.714 -7.233 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.912 -5.603 5.220 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.585 -4.930 3.749 1.00 0.00 H new ATOM 0 HG SER A 47 3.195 -3.431 4.844 1.00 0.00 H new ATOM 667 N HIS A 48 0.703 -5.980 3.968 1.00 0.00 N ATOM 668 CA HIS A 48 -0.602 -6.282 4.548 1.00 0.00 C ATOM 669 C HIS A 48 -1.698 -6.207 3.489 1.00 0.00 C ATOM 670 O HIS A 48 -1.812 -5.215 2.768 1.00 0.00 O ATOM 671 CB HIS A 48 -0.912 -5.314 5.689 1.00 0.00 C ATOM 672 CG HIS A 48 -1.628 -4.075 5.246 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.973 -2.928 4.852 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.951 -3.808 5.135 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.861 -2.008 4.519 1.00 0.00 C ATOM 676 NE2 HIS A 48 -3.069 -2.518 4.681 1.00 0.00 N ATOM 0 H HIS A 48 0.754 -5.079 3.492 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.571 -7.298 4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.519 -5.827 6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.020 -5.030 6.177 1.00 0.00 H new ATOM 0 HD1 HIS A 48 0.039 -2.808 4.822 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.762 -4.484 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.638 -1.010 4.173 1.00 0.00 H new ATOM 684 N VAL A 49 -2.500 -7.262 3.399 1.00 0.00 N ATOM 685 CA VAL A 49 -3.587 -7.315 2.428 1.00 0.00 C ATOM 686 C VAL A 49 -4.349 -5.996 2.383 1.00 0.00 C ATOM 687 O VAL A 49 -4.752 -5.464 3.417 1.00 0.00 O ATOM 688 CB VAL A 49 -4.573 -8.454 2.751 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.002 -8.393 4.210 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.781 -8.391 1.829 1.00 0.00 C ATOM 0 H VAL A 49 -2.418 -8.092 3.986 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.133 -7.502 1.455 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.067 -9.405 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.698 -9.205 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.126 -8.492 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.489 -7.438 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.467 -9.203 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.289 -7.436 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.454 -8.489 0.794 1.00 0.00 H new ATOM 700 N GLY A 50 -4.547 -5.473 1.176 1.00 0.00 N ATOM 701 CA GLY A 50 -5.261 -4.220 1.019 1.00 0.00 C ATOM 702 C GLY A 50 -4.517 -3.235 0.138 1.00 0.00 C ATOM 703 O GLY A 50 -3.950 -3.614 -0.886 1.00 0.00 O ATOM 0 H GLY A 50 -4.225 -5.895 0.305 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.243 -4.417 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.425 -3.774 2.000 1.00 0.00 H new ATOM 707 N TYR A 51 -4.520 -1.969 0.537 1.00 0.00 N ATOM 708 CA TYR A 51 -3.844 -0.925 -0.225 1.00 0.00 C ATOM 709 C TYR A 51 -3.205 0.101 0.705 1.00 0.00 C ATOM 710 O TYR A 51 -3.435 0.091 1.914 1.00 0.00 O ATOM 711 CB TYR A 51 -4.829 -0.233 -1.168 1.00 0.00 C ATOM 712 CG TYR A 51 -5.523 -1.179 -2.121 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.483 -2.075 -1.664 1.00 0.00 C ATOM 714 CD2 TYR A 51 -5.219 -1.180 -3.476 1.00 0.00 C ATOM 715 CE1 TYR A 51 -7.119 -2.944 -2.532 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.851 -2.043 -4.350 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.800 -2.922 -3.874 1.00 0.00 C ATOM 718 OH TYR A 51 -7.431 -3.785 -4.740 1.00 0.00 O ATOM 0 H TYR A 51 -4.983 -1.640 1.384 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.056 -1.394 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.581 0.288 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.296 0.524 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.736 -2.093 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.475 -0.494 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.861 -3.636 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.603 -2.029 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.094 -3.641 -5.649 1.00 0.00 H new ATOM 728 N THR A 52 -2.400 0.990 0.130 1.00 0.00 N ATOM 729 CA THR A 52 -1.725 2.025 0.905 1.00 0.00 C ATOM 730 C THR A 52 -1.862 3.388 0.238 1.00 0.00 C ATOM 731 O THR A 52 -1.444 3.575 -0.906 1.00 0.00 O ATOM 732 CB THR A 52 -0.231 1.703 1.091 1.00 0.00 C ATOM 733 OG1 THR A 52 -0.079 0.452 1.771 1.00 0.00 O ATOM 734 CG2 THR A 52 0.465 2.802 1.879 1.00 0.00 C ATOM 0 H THR A 52 -2.200 1.014 -0.870 1.00 0.00 H new ATOM 0 HA THR A 52 -2.206 2.053 1.883 1.00 0.00 H new ATOM 0 HB THR A 52 0.229 1.637 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.860 0.330 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.519 2.553 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.374 3.747 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.001 2.895 2.861 1.00 0.00 H new ATOM 742 N LEU A 53 -2.448 4.338 0.958 1.00 0.00 N ATOM 743 CA LEU A 53 -2.638 5.686 0.435 1.00 0.00 C ATOM 744 C LEU A 53 -1.497 6.603 0.863 1.00 0.00 C ATOM 745 O LEU A 53 -0.998 6.507 1.985 1.00 0.00 O ATOM 746 CB LEU A 53 -3.973 6.257 0.916 1.00 0.00 C ATOM 747 CG LEU A 53 -4.141 7.772 0.788 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.689 8.134 -0.584 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.052 8.302 1.885 1.00 0.00 C ATOM 0 H LEU A 53 -2.800 4.200 1.905 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.644 5.629 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.774 5.774 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.106 5.984 1.963 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.162 8.238 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.802 9.216 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.999 7.788 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.659 7.658 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.160 9.381 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.031 7.830 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.619 8.075 2.859 1.00 0.00 H new ATOM 761 N SER A 54 -1.089 7.492 -0.036 1.00 0.00 N ATOM 762 CA SER A 54 -0.005 8.425 0.247 1.00 0.00 C ATOM 763 C SER A 54 -0.130 9.681 -0.609 1.00 0.00 C ATOM 764 O SER A 54 -0.705 9.649 -1.698 1.00 0.00 O ATOM 765 CB SER A 54 1.349 7.758 -0.002 1.00 0.00 C ATOM 766 OG SER A 54 1.374 6.442 0.524 1.00 0.00 O ATOM 0 H SER A 54 -1.493 7.586 -0.968 1.00 0.00 H new ATOM 0 HA SER A 54 -0.073 8.713 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.552 7.729 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.140 8.351 0.457 1.00 0.00 H new ATOM 0 HG SER A 54 2.042 6.388 1.239 1.00 0.00 H new ATOM 772 N TYR A 55 0.410 10.787 -0.109 1.00 0.00 N ATOM 773 CA TYR A 55 0.357 12.055 -0.827 1.00 0.00 C ATOM 774 C TYR A 55 1.380 13.039 -0.269 1.00 0.00 C ATOM 775 O TYR A 55 1.959 12.817 0.795 1.00 0.00 O ATOM 776 CB TYR A 55 -1.047 12.656 -0.738 1.00 0.00 C ATOM 777 CG TYR A 55 -1.457 13.030 0.668 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.172 14.289 1.185 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.132 12.127 1.480 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.544 14.635 2.469 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.509 12.465 2.766 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.213 13.720 3.255 1.00 0.00 C ATOM 783 OH TYR A 55 -2.587 14.061 4.535 1.00 0.00 O ATOM 0 H TYR A 55 0.889 10.831 0.790 1.00 0.00 H new ATOM 0 HA TYR A 55 0.597 11.863 -1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.094 13.543 -1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.765 11.941 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.651 15.009 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.366 11.144 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.312 15.616 2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.032 11.751 3.384 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.332 14.696 4.500 1.00 0.00 H new ATOM 793 N LYS A 56 1.599 14.131 -0.995 1.00 0.00 N ATOM 794 CA LYS A 56 2.550 15.152 -0.574 1.00 0.00 C ATOM 795 C LYS A 56 1.922 16.093 0.448 1.00 0.00 C ATOM 796 O LYS A 56 0.856 16.661 0.212 1.00 0.00 O ATOM 797 CB LYS A 56 3.039 15.951 -1.784 1.00 0.00 C ATOM 798 CG LYS A 56 4.384 16.625 -1.566 1.00 0.00 C ATOM 799 CD LYS A 56 5.533 15.722 -1.981 1.00 0.00 C ATOM 800 CE LYS A 56 6.867 16.246 -1.469 1.00 0.00 C ATOM 801 NZ LYS A 56 7.437 17.284 -2.370 1.00 0.00 N ATOM 0 H LYS A 56 1.130 14.331 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 56 3.399 14.652 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.111 15.285 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.297 16.711 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.424 17.552 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.492 16.893 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.364 14.716 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.564 15.646 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.734 16.664 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.571 15.419 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.415 17.493 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.430 16.935 -3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.865 18.150 -2.307 1.00 0.00 H new ATOM 815 N ALA A 57 2.590 16.254 1.586 1.00 0.00 N ATOM 816 CA ALA A 57 2.098 17.128 2.644 1.00 0.00 C ATOM 817 C ALA A 57 3.111 18.221 2.968 1.00 0.00 C ATOM 818 O ALA A 57 4.319 17.994 2.917 1.00 0.00 O ATOM 819 CB ALA A 57 1.775 16.319 3.890 1.00 0.00 C ATOM 0 H ALA A 57 3.473 15.790 1.799 1.00 0.00 H new ATOM 0 HA ALA A 57 1.186 17.608 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.409 16.985 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.009 15.579 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.675 15.812 4.238 1.00 0.00 H new ATOM 825 N GLN A 58 2.611 19.407 3.301 1.00 0.00 N ATOM 826 CA GLN A 58 3.473 20.534 3.631 1.00 0.00 C ATOM 827 C GLN A 58 4.739 20.062 4.341 1.00 0.00 C ATOM 828 O GLN A 58 5.849 20.436 3.964 1.00 0.00 O ATOM 829 CB GLN A 58 2.724 21.535 4.513 1.00 0.00 C ATOM 830 CG GLN A 58 1.919 22.556 3.725 1.00 0.00 C ATOM 831 CD GLN A 58 2.794 23.575 3.024 1.00 0.00 C ATOM 832 OE1 GLN A 58 4.011 23.412 2.938 1.00 0.00 O ATOM 833 NE2 GLN A 58 2.177 24.638 2.518 1.00 0.00 N ATOM 0 H GLN A 58 1.613 19.611 3.349 1.00 0.00 H new ATOM 0 HA GLN A 58 3.760 21.023 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.053 20.990 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.442 22.059 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.307 22.038 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.235 23.072 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.166 24.733 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.715 25.358 2.036 1.00 0.00 H new ATOM 842 N SER A 59 4.562 19.238 5.368 1.00 0.00 N ATOM 843 CA SER A 59 5.689 18.718 6.133 1.00 0.00 C ATOM 844 C SER A 59 6.563 17.815 5.267 1.00 0.00 C ATOM 845 O SER A 59 7.715 18.137 4.980 1.00 0.00 O ATOM 846 CB SER A 59 5.191 17.945 7.355 1.00 0.00 C ATOM 847 OG SER A 59 6.244 17.217 7.963 1.00 0.00 O ATOM 0 H SER A 59 3.649 18.916 5.690 1.00 0.00 H new ATOM 0 HA SER A 59 6.290 19.564 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.760 18.639 8.077 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.396 17.261 7.057 1.00 0.00 H new ATOM 0 HG SER A 59 5.900 16.733 8.743 1.00 0.00 H new ATOM 853 N SER A 60 6.004 16.681 4.854 1.00 0.00 N ATOM 854 CA SER A 60 6.732 15.729 4.024 1.00 0.00 C ATOM 855 C SER A 60 5.825 14.581 3.592 1.00 0.00 C ATOM 856 O SER A 60 4.722 14.416 4.116 1.00 0.00 O ATOM 857 CB SER A 60 7.942 15.180 4.782 1.00 0.00 C ATOM 858 OG SER A 60 9.085 15.993 4.577 1.00 0.00 O ATOM 0 H SER A 60 5.050 16.400 5.081 1.00 0.00 H new ATOM 0 HA SER A 60 7.078 16.252 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.715 15.128 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.151 14.163 4.451 1.00 0.00 H new ATOM 0 HG SER A 60 8.879 16.917 4.830 1.00 0.00 H new ATOM 864 N CYS A 61 6.297 13.790 2.635 1.00 0.00 N ATOM 865 CA CYS A 61 5.528 12.657 2.130 1.00 0.00 C ATOM 866 C CYS A 61 5.004 11.802 3.279 1.00 0.00 C ATOM 867 O CYS A 61 5.746 11.456 4.199 1.00 0.00 O ATOM 868 CB CYS A 61 6.390 11.805 1.197 1.00 0.00 C ATOM 869 SG CYS A 61 7.008 12.693 -0.252 1.00 0.00 S ATOM 0 H CYS A 61 7.208 13.912 2.193 1.00 0.00 H new ATOM 0 HA CYS A 61 4.676 13.046 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.238 11.414 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.806 10.947 0.863 1.00 0.00 H new ATOM 0 HG CYS A 61 7.728 11.890 -0.979 1.00 0.00 H new ATOM 875 N CYS A 62 3.720 11.467 3.220 1.00 0.00 N ATOM 876 CA CYS A 62 3.094 10.654 4.258 1.00 0.00 C ATOM 877 C CYS A 62 2.584 9.337 3.682 1.00 0.00 C ATOM 878 O CYS A 62 2.526 9.195 2.462 1.00 0.00 O ATOM 879 CB CYS A 62 1.941 11.420 4.909 1.00 0.00 C ATOM 880 SG CYS A 62 1.469 10.796 6.539 1.00 0.00 S ATOM 0 H CYS A 62 3.092 11.745 2.466 1.00 0.00 H new ATOM 0 HA CYS A 62 3.846 10.432 5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.222 12.469 5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.073 11.378 4.250 1.00 0.00 H new ATOM 0 HG CYS A 62 0.271 10.295 6.482 1.00 0.00 H new ATOM 886 N HIS A 63 2.231 8.412 4.563 1.00 0.00 N ATOM 887 CA HIS A 63 1.733 7.117 4.129 1.00 0.00 C ATOM 888 C HIS A 63 0.605 6.665 5.059 1.00 0.00 C ATOM 889 O HIS A 63 0.576 6.975 6.250 1.00 0.00 O ATOM 890 CB HIS A 63 2.871 6.099 4.039 1.00 0.00 C ATOM 891 CG HIS A 63 3.899 6.419 2.980 1.00 0.00 C ATOM 892 ND1 HIS A 63 3.809 5.949 1.681 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.037 7.169 3.039 1.00 0.00 C ATOM 894 CE1 HIS A 63 4.852 6.399 1.000 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.612 7.155 1.843 1.00 0.00 N ATOM 0 H HIS A 63 2.280 8.533 5.575 1.00 0.00 H new ATOM 0 HA HIS A 63 1.319 7.200 3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.368 6.039 5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.449 5.115 3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.407 7.687 3.912 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.064 6.202 -0.041 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.479 7.631 1.595 1.00 0.00 H new ATOM 903 N PHE A 64 -0.330 5.916 4.484 1.00 0.00 N ATOM 904 CA PHE A 64 -1.472 5.407 5.235 1.00 0.00 C ATOM 905 C PHE A 64 -1.854 4.008 4.761 1.00 0.00 C ATOM 906 O PHE A 64 -1.993 3.763 3.564 1.00 0.00 O ATOM 907 CB PHE A 64 -2.668 6.351 5.091 1.00 0.00 C ATOM 908 CG PHE A 64 -2.344 7.781 5.416 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.753 8.604 4.471 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.631 8.303 6.667 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.455 9.921 4.767 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.336 9.619 6.968 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.746 10.428 6.017 1.00 0.00 C ATOM 0 H PHE A 64 -0.319 5.648 3.500 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.188 5.351 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.044 6.295 4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.470 6.011 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.522 8.212 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.090 7.674 7.415 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.995 10.552 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.567 10.014 7.946 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.513 11.456 6.251 1.00 0.00 H new ATOM 923 N MET A 65 -2.021 3.093 5.712 1.00 0.00 N ATOM 924 CA MET A 65 -2.388 1.718 5.392 1.00 0.00 C ATOM 925 C MET A 65 -3.901 1.574 5.269 1.00 0.00 C ATOM 926 O MET A 65 -4.655 2.157 6.046 1.00 0.00 O ATOM 927 CB MET A 65 -1.859 0.765 6.465 1.00 0.00 C ATOM 928 CG MET A 65 -2.665 0.792 7.753 1.00 0.00 C ATOM 929 SD MET A 65 -2.238 -0.559 8.870 1.00 0.00 S ATOM 930 CE MET A 65 -2.933 -1.956 7.990 1.00 0.00 C ATOM 0 H MET A 65 -1.908 3.279 6.709 1.00 0.00 H new ATOM 0 HA MET A 65 -1.938 1.461 4.433 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.857 -0.250 6.068 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.824 1.022 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.500 1.743 8.260 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.727 0.738 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.533 -2.555 8.675 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.562 -1.597 7.175 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.127 -2.567 7.584 1.00 0.00 H new ATOM 940 N VAL A 66 -4.338 0.793 4.285 1.00 0.00 N ATOM 941 CA VAL A 66 -5.761 0.571 4.061 1.00 0.00 C ATOM 942 C VAL A 66 -6.095 -0.916 4.075 1.00 0.00 C ATOM 943 O VAL A 66 -5.763 -1.648 3.144 1.00 0.00 O ATOM 944 CB VAL A 66 -6.218 1.175 2.720 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.696 0.900 2.485 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.934 2.669 2.684 1.00 0.00 C ATOM 0 H VAL A 66 -3.727 0.304 3.631 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.290 1.067 4.875 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.653 0.701 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.000 1.335 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.867 -0.176 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.281 1.345 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.263 3.079 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.471 3.161 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.864 2.839 2.802 1.00 0.00 H new ATOM 956 N LYS A 67 -6.757 -1.357 5.140 1.00 0.00 N ATOM 957 CA LYS A 67 -7.139 -2.757 5.278 1.00 0.00 C ATOM 958 C LYS A 67 -8.365 -3.073 4.427 1.00 0.00 C ATOM 959 O LYS A 67 -8.985 -2.175 3.857 1.00 0.00 O ATOM 960 CB LYS A 67 -7.424 -3.087 6.745 1.00 0.00 C ATOM 961 CG LYS A 67 -6.359 -2.580 7.702 1.00 0.00 C ATOM 962 CD LYS A 67 -6.825 -2.654 9.146 1.00 0.00 C ATOM 963 CE LYS A 67 -7.791 -1.527 9.478 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.123 -1.491 10.929 1.00 0.00 N ATOM 0 H LYS A 67 -7.040 -0.764 5.920 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.308 -3.370 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.386 -2.657 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.514 -4.168 6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.450 -3.170 7.582 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.106 -1.549 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.309 -3.614 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.963 -2.603 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.353 -0.574 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.706 -1.651 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.673 -0.633 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.684 -2.331 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.245 -1.484 11.486 1.00 0.00 H new ATOM 978 N LEU A 68 -8.710 -4.353 4.348 1.00 0.00 N ATOM 979 CA LEU A 68 -9.865 -4.788 3.568 1.00 0.00 C ATOM 980 C LEU A 68 -10.933 -5.396 4.470 1.00 0.00 C ATOM 981 O LEU A 68 -10.820 -6.547 4.895 1.00 0.00 O ATOM 982 CB LEU A 68 -9.435 -5.804 2.508 1.00 0.00 C ATOM 983 CG LEU A 68 -10.275 -5.837 1.230 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.761 -6.909 0.281 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.741 -6.075 1.562 1.00 0.00 C ATOM 0 H LEU A 68 -8.207 -5.108 4.814 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.289 -3.914 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.401 -5.597 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.453 -6.797 2.957 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.187 -4.870 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.371 -6.918 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.725 -6.695 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.818 -7.883 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.324 -6.095 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.847 -7.028 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.104 -5.272 2.203 1.00 0.00 H new ATOM 997 N LEU A 69 -11.972 -4.619 4.754 1.00 0.00 N ATOM 998 CA LEU A 69 -13.064 -5.083 5.604 1.00 0.00 C ATOM 999 C LEU A 69 -13.600 -6.425 5.116 1.00 0.00 C ATOM 1000 O LEU A 69 -13.075 -7.007 4.167 1.00 0.00 O ATOM 1001 CB LEU A 69 -14.191 -4.049 5.628 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.876 -2.730 6.335 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -13.193 -2.989 7.668 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -13.009 -1.845 5.451 1.00 0.00 C ATOM 0 H LEU A 69 -12.082 -3.665 4.409 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.677 -5.213 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.476 -3.828 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.059 -4.498 6.110 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.814 -2.209 6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.977 -2.039 8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.850 -3.583 8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.262 -3.531 7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.795 -0.911 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.074 -2.359 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.537 -1.631 4.522 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.651 -6.909 5.771 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.261 -8.181 5.403 1.00 0.00 C ATOM 1018 C ASP A 70 -16.366 -7.975 4.372 1.00 0.00 C ATOM 1019 O ASP A 70 -16.689 -8.882 3.604 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.826 -8.878 6.642 1.00 0.00 C ATOM 1021 CG ASP A 70 -15.949 -10.378 6.458 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -14.998 -10.989 5.927 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -16.995 -10.939 6.845 1.00 0.00 O ATOM 0 H ASP A 70 -15.097 -6.439 6.559 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.489 -8.812 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.182 -8.672 7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.806 -8.462 6.874 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.941 -6.779 4.360 1.00 0.00 N ATOM 1029 CA ASP A 71 -18.010 -6.454 3.422 1.00 0.00 C ATOM 1030 C ASP A 71 -17.441 -6.090 2.054 1.00 0.00 C ATOM 1031 O ASP A 71 -18.158 -5.601 1.182 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.855 -5.298 3.960 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.958 -4.892 3.002 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.358 -5.730 2.167 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.420 -3.736 3.086 1.00 0.00 O ATOM 0 H ASP A 71 -16.686 -6.018 4.989 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.642 -7.335 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.295 -5.587 4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.211 -4.440 4.153 1.00 0.00 H new ATOM 1040 N GLY A 72 -16.146 -6.332 1.874 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.502 -6.022 0.611 1.00 0.00 C ATOM 1042 C GLY A 72 -15.184 -4.548 0.467 1.00 0.00 C ATOM 1043 O GLY A 72 -14.938 -4.061 -0.636 1.00 0.00 O ATOM 0 H GLY A 72 -15.532 -6.737 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.581 -6.599 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.150 -6.332 -0.209 1.00 0.00 H new ATOM 1047 N THR A 73 -15.189 -3.832 1.588 1.00 0.00 N ATOM 1048 CA THR A 73 -14.901 -2.402 1.583 1.00 0.00 C ATOM 1049 C THR A 73 -13.496 -2.123 2.102 1.00 0.00 C ATOM 1050 O THR A 73 -12.749 -3.045 2.427 1.00 0.00 O ATOM 1051 CB THR A 73 -15.918 -1.622 2.437 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.826 -2.034 3.806 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.335 -1.843 1.930 1.00 0.00 C ATOM 0 H THR A 73 -15.389 -4.219 2.510 1.00 0.00 H new ATOM 0 HA THR A 73 -14.975 -2.067 0.548 1.00 0.00 H new ATOM 0 HB THR A 73 -15.684 -0.560 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.474 -1.532 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.035 -1.282 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.409 -1.501 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.578 -2.905 1.979 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.142 -0.844 2.179 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.825 -0.443 2.659 1.00 0.00 C ATOM 1063 C PHE A 74 -11.935 0.726 3.633 1.00 0.00 C ATOM 1064 O PHE A 74 -12.468 1.783 3.293 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.925 -0.060 1.483 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.920 -1.075 0.375 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.869 -1.023 -0.633 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.967 -2.080 0.344 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.867 -1.955 -1.653 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.960 -3.015 -0.674 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.912 -2.954 -1.673 1.00 0.00 C ATOM 0 H PHE A 74 -13.749 -0.068 1.915 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.383 -1.290 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.252 0.900 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.906 0.076 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.619 -0.246 -0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.222 -2.134 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.611 -1.903 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.211 -3.793 -0.688 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.910 -3.685 -2.468 1.00 0.00 H new ATOM 1081 N MET A 75 -11.427 0.529 4.845 1.00 0.00 N ATOM 1082 CA MET A 75 -11.466 1.568 5.868 1.00 0.00 C ATOM 1083 C MET A 75 -10.099 1.739 6.522 1.00 0.00 C ATOM 1084 O MET A 75 -9.413 0.759 6.814 1.00 0.00 O ATOM 1085 CB MET A 75 -12.513 1.227 6.930 1.00 0.00 C ATOM 1086 CG MET A 75 -12.356 2.023 8.216 1.00 0.00 C ATOM 1087 SD MET A 75 -13.909 2.203 9.115 1.00 0.00 S ATOM 1088 CE MET A 75 -13.559 3.655 10.105 1.00 0.00 C ATOM 0 H MET A 75 -10.984 -0.340 5.143 1.00 0.00 H new ATOM 0 HA MET A 75 -11.738 2.507 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.507 1.407 6.520 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.451 0.163 7.161 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.625 1.530 8.857 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.960 3.011 7.981 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.490 4.052 10.511 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.892 3.385 10.924 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.082 4.413 9.484 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.709 2.989 6.749 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.423 3.288 7.369 1.00 0.00 C ATOM 1100 C ILE A 76 -8.521 3.232 8.890 1.00 0.00 C ATOM 1101 O ILE A 76 -9.486 3.704 9.492 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.904 4.675 6.949 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.719 4.735 5.430 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.597 4.989 7.660 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.699 6.145 4.880 1.00 0.00 C ATOM 0 H ILE A 76 -10.265 3.811 6.513 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.722 2.528 7.024 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.640 5.425 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.786 4.237 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.525 4.178 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.243 5.973 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.758 4.982 8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.852 4.237 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.565 6.112 3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.642 6.640 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.876 6.700 5.331 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.497 2.645 9.527 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.442 2.518 10.987 1.00 0.00 C ATOM 1119 C PRO A 77 -7.233 3.860 11.679 1.00 0.00 C ATOM 1120 O PRO A 77 -6.112 4.211 12.046 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.238 1.603 11.218 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.377 1.801 10.019 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.315 2.063 8.873 1.00 0.00 C ATOM 0 HA PRO A 77 -8.374 2.130 11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.709 1.868 12.133 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.545 0.562 11.317 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.694 2.638 10.163 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.765 0.919 9.828 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.880 2.748 8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.562 1.146 8.338 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.318 4.608 11.854 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.230 5.903 12.502 1.00 0.00 C ATOM 1133 C GLY A 78 -9.356 6.833 12.093 1.00 0.00 C ATOM 1134 O GLY A 78 -9.715 7.745 12.837 1.00 0.00 O ATOM 0 H GLY A 78 -9.257 4.340 11.558 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.250 5.767 13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.274 6.365 12.256 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.911 6.603 10.908 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.999 7.430 10.401 1.00 0.00 C ATOM 1140 C GLU A 79 -12.350 6.902 10.875 1.00 0.00 C ATOM 1141 O GLU A 79 -12.480 5.731 11.239 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.965 7.476 8.872 1.00 0.00 C ATOM 1143 CG GLU A 79 -10.030 8.536 8.316 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.494 9.945 8.629 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -11.310 10.486 7.853 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -10.040 10.508 9.647 1.00 0.00 O ATOM 0 H GLU A 79 -9.625 5.851 10.281 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.866 8.439 10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.660 6.500 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.973 7.661 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.032 8.386 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.951 8.415 7.236 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.354 7.771 10.869 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.696 7.394 11.297 1.00 0.00 C ATOM 1155 C LYS A 80 -15.606 7.164 10.094 1.00 0.00 C ATOM 1156 O LYS A 80 -16.820 7.353 10.176 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.290 8.478 12.199 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.412 8.826 13.389 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.646 7.613 13.890 1.00 0.00 C ATOM 1160 CE LYS A 80 -14.575 6.587 14.520 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.887 5.787 15.570 1.00 0.00 N ATOM 0 H LYS A 80 -13.264 8.743 10.572 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.623 6.463 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.460 9.378 11.608 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.263 8.145 12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.709 9.610 13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.029 9.225 14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.105 7.155 13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.901 7.928 14.621 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.435 7.095 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.957 5.920 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.554 5.099 15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.081 5.282 15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.545 6.420 16.320 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.013 6.754 8.978 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.771 6.496 7.759 1.00 0.00 C ATOM 1177 C VAL A 81 -15.062 5.475 6.877 1.00 0.00 C ATOM 1178 O VAL A 81 -13.862 5.240 7.022 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.993 7.789 6.952 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.306 8.447 7.349 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.827 8.746 7.148 1.00 0.00 C ATOM 0 H VAL A 81 -14.009 6.593 8.892 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.738 6.097 8.066 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.048 7.532 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.446 9.359 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.130 7.762 7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.284 8.692 8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.001 9.654 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.738 8.999 8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.906 8.271 6.810 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.811 4.870 5.961 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.254 3.875 5.053 1.00 0.00 C ATOM 1193 C ALA A 82 -15.670 4.154 3.612 1.00 0.00 C ATOM 1194 O ALA A 82 -16.320 5.159 3.327 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.689 2.478 5.470 1.00 0.00 C ATOM 0 H ALA A 82 -16.806 5.052 5.828 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.167 3.936 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.266 1.745 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.337 2.274 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.777 2.413 5.445 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.288 3.257 2.708 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.621 3.407 1.296 1.00 0.00 C ATOM 1203 C HIS A 83 -15.687 2.047 0.606 1.00 0.00 C ATOM 1204 O HIS A 83 -15.055 1.086 1.044 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.591 4.296 0.598 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.074 5.406 1.463 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -14.770 6.576 1.682 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -12.923 5.517 2.165 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.069 7.359 2.480 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -12.943 6.740 2.789 1.00 0.00 N ATOM 0 H HIS A 83 -14.748 2.420 2.928 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.602 3.878 1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.753 3.680 0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.040 4.724 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.135 4.781 2.224 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -14.365 8.339 2.823 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.209 7.110 3.392 1.00 0.00 H new ATOM 1218 N THR A 84 -16.456 1.974 -0.476 1.00 0.00 N ATOM 1219 CA THR A 84 -16.606 0.734 -1.224 1.00 0.00 C ATOM 1220 C THR A 84 -15.273 0.278 -1.806 1.00 0.00 C ATOM 1221 O THR A 84 -14.841 -0.854 -1.582 1.00 0.00 O ATOM 1222 CB THR A 84 -17.626 0.887 -2.368 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.324 2.054 -3.140 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.042 0.988 -1.820 1.00 0.00 C ATOM 0 H THR A 84 -16.985 2.761 -0.853 1.00 0.00 H new ATOM 0 HA THR A 84 -16.969 -0.016 -0.521 1.00 0.00 H new ATOM 0 HB THR A 84 -17.561 0.004 -3.004 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.976 2.143 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.745 1.095 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.279 0.086 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.117 1.855 -1.164 1.00 0.00 H new ATOM 1232 N SER A 85 -14.624 1.165 -2.553 1.00 0.00 N ATOM 1233 CA SER A 85 -13.340 0.853 -3.170 1.00 0.00 C ATOM 1234 C SER A 85 -12.441 2.084 -3.207 1.00 0.00 C ATOM 1235 O SER A 85 -12.909 3.214 -3.058 1.00 0.00 O ATOM 1236 CB SER A 85 -13.548 0.316 -4.588 1.00 0.00 C ATOM 1237 OG SER A 85 -13.919 -1.051 -4.566 1.00 0.00 O ATOM 0 H SER A 85 -14.966 2.106 -2.746 1.00 0.00 H new ATOM 0 HA SER A 85 -12.852 0.087 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.321 0.898 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.631 0.438 -5.165 1.00 0.00 H new ATOM 0 HG SER A 85 -14.193 -1.301 -3.659 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.147 1.858 -3.407 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.180 2.949 -3.465 1.00 0.00 C ATOM 1245 C LEU A 86 -10.785 4.179 -4.132 1.00 0.00 C ATOM 1246 O LEU A 86 -10.724 5.284 -3.594 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.927 2.507 -4.223 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.064 1.449 -3.535 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -6.886 1.064 -4.416 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.579 1.952 -2.183 1.00 0.00 C ATOM 0 H LEU A 86 -10.743 0.930 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.905 3.212 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.232 2.121 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.310 3.386 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.675 0.561 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.284 0.310 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.254 0.661 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.275 1.945 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.966 1.186 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.986 2.856 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.437 2.175 -1.549 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.371 3.979 -5.308 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.990 5.072 -6.049 1.00 0.00 C ATOM 1264 C ASP A 87 -12.882 5.910 -5.138 1.00 0.00 C ATOM 1265 O ASP A 87 -12.676 7.114 -4.989 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.808 4.523 -7.220 1.00 0.00 C ATOM 1267 CG ASP A 87 -11.947 3.808 -8.242 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.097 2.989 -7.833 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -12.124 4.065 -9.451 1.00 0.00 O ATOM 0 H ASP A 87 -11.430 3.071 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.196 5.710 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.564 3.835 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.338 5.343 -7.705 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.873 5.264 -4.534 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.796 5.949 -3.636 1.00 0.00 C ATOM 1276 C ALA A 88 -14.096 6.376 -2.350 1.00 0.00 C ATOM 1277 O ALA A 88 -14.669 7.092 -1.528 1.00 0.00 O ATOM 1278 CB ALA A 88 -15.986 5.056 -3.320 1.00 0.00 C ATOM 0 H ALA A 88 -14.058 4.268 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.154 6.847 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.666 5.580 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.508 4.806 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.637 4.141 -2.841 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.855 5.931 -2.182 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.078 6.267 -0.995 1.00 0.00 C ATOM 1286 C LEU A 89 -11.160 7.456 -1.264 1.00 0.00 C ATOM 1287 O LEU A 89 -10.728 8.142 -0.337 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.250 5.062 -0.546 1.00 0.00 C ATOM 1289 CG LEU A 89 -9.906 5.377 0.111 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.505 4.264 1.068 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.832 5.586 -0.946 1.00 0.00 C ATOM 0 H LEU A 89 -12.366 5.337 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.773 6.540 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.846 4.478 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.068 4.428 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.010 6.299 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.546 4.506 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.263 4.162 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.419 3.326 0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.882 5.809 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.730 4.681 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.114 6.418 -1.591 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.867 7.695 -2.538 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.003 8.803 -2.929 1.00 0.00 C ATOM 1305 C VAL A 90 -10.783 10.111 -2.995 1.00 0.00 C ATOM 1306 O VAL A 90 -10.364 11.126 -2.438 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.343 8.543 -4.296 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.577 9.773 -4.761 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.427 7.331 -4.224 1.00 0.00 C ATOM 0 H VAL A 90 -11.215 7.136 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.227 8.884 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.127 8.334 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.117 9.571 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.263 10.615 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.802 10.015 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.969 7.162 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.647 7.508 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.007 6.453 -3.939 1.00 0.00 H new ATOM 1319 N THR A 91 -11.923 10.081 -3.679 1.00 0.00 N ATOM 1320 CA THR A 91 -12.763 11.264 -3.817 1.00 0.00 C ATOM 1321 C THR A 91 -13.159 11.821 -2.454 1.00 0.00 C ATOM 1322 O THR A 91 -12.983 13.009 -2.183 1.00 0.00 O ATOM 1323 CB THR A 91 -14.039 10.956 -4.624 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.692 10.540 -5.949 1.00 0.00 O ATOM 1325 CG2 THR A 91 -14.944 12.176 -4.691 1.00 0.00 C ATOM 0 H THR A 91 -12.285 9.250 -4.146 1.00 0.00 H new ATOM 0 HA THR A 91 -12.174 12.008 -4.353 1.00 0.00 H new ATOM 0 HB THR A 91 -14.576 10.152 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.508 10.345 -6.455 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.838 11.935 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.230 12.473 -3.682 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.413 12.997 -5.174 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.692 10.955 -1.599 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.113 11.361 -0.264 1.00 0.00 C ATOM 1335 C PHE A 92 -12.955 11.994 0.503 1.00 0.00 C ATOM 1336 O PHE A 92 -13.138 12.969 1.233 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.656 10.159 0.511 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.493 10.538 1.699 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.911 10.738 2.939 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.865 10.695 1.574 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.679 11.087 4.034 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.637 11.044 2.664 1.00 0.00 C ATOM 1343 CZ PHE A 92 -17.045 11.240 3.896 1.00 0.00 C ATOM 0 H PHE A 92 -13.843 9.968 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.904 12.103 -0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.253 9.543 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.820 9.546 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.843 10.620 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.335 10.543 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.212 11.240 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.705 11.164 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.648 11.512 4.749 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.763 11.432 0.331 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.574 11.941 1.007 1.00 0.00 C ATOM 1355 C HIS A 93 -10.301 13.387 0.609 1.00 0.00 C ATOM 1356 O HIS A 93 -9.995 14.226 1.457 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.362 11.071 0.673 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.207 9.887 1.578 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.452 9.938 2.934 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.830 8.614 1.313 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.233 8.749 3.464 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.855 7.927 2.502 1.00 0.00 N ATOM 0 H HIS A 93 -11.594 10.625 -0.270 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.753 11.906 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.448 10.723 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.461 11.681 0.729 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.755 10.766 3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.560 8.214 0.347 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.344 8.492 4.507 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.414 13.673 -0.683 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.178 15.019 -1.192 1.00 0.00 C ATOM 1372 C GLN A 94 -10.968 16.050 -0.392 1.00 0.00 C ATOM 1373 O GLN A 94 -10.630 17.233 -0.384 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.560 15.102 -2.671 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.422 14.748 -3.615 1.00 0.00 C ATOM 1376 CD GLN A 94 -9.904 14.406 -5.010 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.386 13.300 -5.259 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.778 15.355 -5.930 1.00 0.00 N ATOM 0 H GLN A 94 -10.668 12.991 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.116 15.239 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.399 14.432 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.904 16.112 -2.893 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.727 15.586 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.868 13.902 -3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.373 16.257 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.086 15.182 -6.887 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.019 15.591 0.278 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.857 16.475 1.081 1.00 0.00 C ATOM 1389 C GLN A 95 -12.685 16.185 2.568 1.00 0.00 C ATOM 1390 O GLN A 95 -12.919 17.053 3.411 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.326 16.317 0.685 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.568 16.418 -0.812 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.042 16.461 -1.164 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.782 17.319 -0.681 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.475 15.535 -2.011 1.00 0.00 N ATOM 0 H GLN A 95 -12.311 14.614 0.281 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.545 17.502 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.687 15.351 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.914 17.082 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.081 17.315 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.104 15.566 -1.309 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.826 14.844 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.457 15.515 -2.287 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.275 14.962 2.885 1.00 0.00 N ATOM 1405 CA LYS A 96 -12.069 14.558 4.271 1.00 0.00 C ATOM 1406 C LYS A 96 -10.658 14.019 4.477 1.00 0.00 C ATOM 1407 O LYS A 96 -10.287 12.965 3.959 1.00 0.00 O ATOM 1408 CB LYS A 96 -13.096 13.495 4.670 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.384 14.073 5.230 1.00 0.00 C ATOM 1410 CD LYS A 96 -14.308 14.244 6.739 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.557 12.930 7.462 1.00 0.00 C ATOM 1412 NZ LYS A 96 -15.995 12.545 7.434 1.00 0.00 N ATOM 0 H LYS A 96 -12.078 14.232 2.200 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.198 15.437 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.331 12.884 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.651 12.833 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.585 15.037 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.218 13.418 4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.327 14.631 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.043 14.982 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.961 12.143 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.224 13.016 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.190 11.873 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.584 13.393 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.217 12.100 6.521 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.850 14.757 5.253 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.466 14.371 5.547 1.00 0.00 C ATOM 1428 C PRO A 97 -8.385 13.150 6.456 1.00 0.00 C ATOM 1429 O PRO A 97 -9.406 12.553 6.801 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.897 15.604 6.256 1.00 0.00 C ATOM 1431 CG PRO A 97 -9.085 16.280 6.850 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.225 16.023 5.903 1.00 0.00 C ATOM 0 HA PRO A 97 -7.921 14.091 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.177 15.322 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.377 16.259 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.304 15.884 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.908 17.349 6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.175 15.938 6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.335 16.830 5.178 1.00 0.00 H new ATOM 1440 N ILE A 98 -7.168 12.784 6.841 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.955 11.634 7.711 1.00 0.00 C ATOM 1442 C ILE A 98 -7.145 12.011 9.176 1.00 0.00 C ATOM 1443 O ILE A 98 -7.053 13.182 9.542 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.548 11.038 7.524 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.052 11.284 6.098 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.556 9.549 7.838 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.025 10.831 5.032 1.00 0.00 C ATOM 0 H ILE A 98 -6.313 13.267 6.564 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.697 10.886 7.431 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.866 11.531 8.217 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.855 12.348 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.104 10.765 5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.554 9.143 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.871 9.397 8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.249 9.040 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.607 11.037 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.204 9.761 5.134 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.966 11.369 5.146 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.408 11.010 10.010 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.609 11.237 11.437 1.00 0.00 C ATOM 1461 C GLU A 99 -6.437 12.010 12.034 1.00 0.00 C ATOM 1462 O GLU A 99 -6.598 13.092 12.599 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.782 9.904 12.169 1.00 0.00 C ATOM 1464 CG GLU A 99 -7.266 9.924 13.598 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.908 8.857 14.463 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -9.031 9.090 14.958 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -7.285 7.789 14.647 1.00 0.00 O ATOM 0 H GLU A 99 -7.487 10.034 9.723 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.515 11.831 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.839 9.638 12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.261 9.124 11.614 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.185 9.781 13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.456 10.904 14.035 1.00 0.00 H new ATOM 1474 N PRO A 100 -5.229 11.441 11.910 1.00 0.00 N ATOM 1475 CA PRO A 100 -4.006 12.059 12.432 1.00 0.00 C ATOM 1476 C PRO A 100 -3.608 13.307 11.651 1.00 0.00 C ATOM 1477 O PRO A 100 -3.368 14.364 12.233 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.953 10.962 12.259 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.463 10.119 11.142 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.963 10.152 11.250 1.00 0.00 C ATOM 0 HA PRO A 100 -4.127 12.395 13.462 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.977 11.385 12.022 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.835 10.379 13.173 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.132 10.506 10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.088 9.098 11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.438 10.097 10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.342 9.315 11.836 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.541 13.176 10.330 1.00 0.00 N ATOM 1489 CA ARG A 101 -3.171 14.293 9.470 1.00 0.00 C ATOM 1490 C ARG A 101 -4.330 15.274 9.324 1.00 0.00 C ATOM 1491 O ARG A 101 -5.467 14.963 9.676 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.743 13.783 8.092 1.00 0.00 C ATOM 1493 CG ARG A 101 -1.261 13.458 7.995 1.00 0.00 C ATOM 1494 CD ARG A 101 -0.903 12.239 8.830 1.00 0.00 C ATOM 1495 NE ARG A 101 0.471 12.295 9.320 1.00 0.00 N ATOM 1496 CZ ARG A 101 0.830 12.930 10.431 1.00 0.00 C ATOM 1497 NH1 ARG A 101 -0.079 13.559 11.162 1.00 0.00 N ATOM 1498 NH2 ARG A 101 2.102 12.935 10.811 1.00 0.00 N ATOM 0 H ARG A 101 -3.738 12.308 9.833 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.333 14.814 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.319 12.890 7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.991 14.535 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.994 13.278 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.677 14.315 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.587 12.166 9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.038 11.338 8.232 1.00 0.00 H new ATOM 0 HE ARG A 101 1.195 11.821 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.057 13.557 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.199 14.045 12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.804 12.452 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.378 13.422 11.664 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.033 16.460 8.802 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.050 17.487 8.611 1.00 0.00 C ATOM 1514 C ARG A 102 -5.069 17.972 7.165 1.00 0.00 C ATOM 1515 O ARG A 102 -6.063 18.525 6.698 1.00 0.00 O ATOM 1516 CB ARG A 102 -4.798 18.666 9.553 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.598 19.513 9.160 1.00 0.00 C ATOM 1518 CD ARG A 102 -3.997 20.648 8.232 1.00 0.00 C ATOM 1519 NE ARG A 102 -4.331 21.865 8.967 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.423 22.726 9.415 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -2.134 22.504 9.201 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -3.806 23.810 10.076 1.00 0.00 N ATOM 0 H ARG A 102 -3.097 16.733 8.504 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.021 17.048 8.841 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.686 19.298 9.577 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.649 18.287 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.131 19.922 10.056 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.853 18.886 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.180 20.855 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.853 20.341 7.631 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.315 22.065 9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.838 21.671 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -1.438 23.166 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.798 23.983 10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.109 24.471 10.420 1.00 0.00 H new ATOM 1536 N GLU A 103 -3.960 17.760 6.461 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.849 18.179 5.068 1.00 0.00 C ATOM 1538 C GLU A 103 -4.781 17.359 4.179 1.00 0.00 C ATOM 1539 O GLU A 103 -4.981 16.165 4.404 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.405 18.034 4.583 1.00 0.00 C ATOM 1541 CG GLU A 103 -2.194 18.504 3.153 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.758 19.889 2.905 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -2.703 20.727 3.832 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.254 20.138 1.787 1.00 0.00 O ATOM 0 H GLU A 103 -3.128 17.302 6.832 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.142 19.227 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.750 18.602 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.108 16.988 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.127 18.505 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.663 17.797 2.469 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.347 18.009 3.169 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.258 17.343 2.245 1.00 0.00 C ATOM 1553 C LEU A 104 -5.576 17.070 0.908 1.00 0.00 C ATOM 1554 O LEU A 104 -4.388 17.349 0.737 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.509 18.195 2.027 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.672 17.940 2.987 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.818 18.897 2.704 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.142 16.496 2.884 1.00 0.00 C ATOM 0 H LEU A 104 -5.191 18.997 2.969 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.548 16.389 2.685 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.226 19.245 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.862 18.032 1.009 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.323 18.116 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.636 18.700 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.474 19.924 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.167 18.755 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.970 16.333 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.473 16.293 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.320 15.827 3.139 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.334 16.526 -0.037 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.802 16.218 -1.360 1.00 0.00 C ATOM 1572 C LEU A 105 -6.165 17.312 -2.361 1.00 0.00 C ATOM 1573 O LEU A 105 -6.991 18.180 -2.078 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.338 14.870 -1.845 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.184 13.699 -0.875 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.813 12.440 -1.454 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.716 13.464 -0.551 1.00 0.00 C ATOM 0 H LEU A 105 -7.318 16.289 0.088 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.716 16.165 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.396 14.985 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.832 14.614 -2.776 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.704 13.948 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.694 11.617 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.874 12.613 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.322 12.187 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.626 12.627 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.173 13.237 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.297 14.360 -0.093 1.00 0.00 H new ATOM 1589 N THR A 106 -5.542 17.263 -3.534 1.00 0.00 N ATOM 1590 CA THR A 106 -5.799 18.248 -4.577 1.00 0.00 C ATOM 1591 C THR A 106 -6.020 17.575 -5.927 1.00 0.00 C ATOM 1592 O THR A 106 -7.082 17.711 -6.532 1.00 0.00 O ATOM 1593 CB THR A 106 -4.636 19.252 -4.701 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.549 18.657 -5.417 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.161 19.700 -3.326 1.00 0.00 C ATOM 0 H THR A 106 -4.856 16.552 -3.786 1.00 0.00 H new ATOM 0 HA THR A 106 -6.703 18.784 -4.289 1.00 0.00 H new ATOM 0 HB THR A 106 -4.994 20.125 -5.247 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.815 19.302 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.340 20.408 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.984 20.179 -2.795 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.819 18.834 -2.759 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.008 16.848 -6.393 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.093 16.154 -7.672 1.00 0.00 C ATOM 1605 C GLN A 107 -4.308 14.847 -7.636 1.00 0.00 C ATOM 1606 O GLN A 107 -3.309 14.713 -6.927 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.566 17.047 -8.797 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.092 17.390 -8.661 1.00 0.00 C ATOM 1609 CD GLN A 107 -2.588 18.260 -9.797 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.195 17.759 -10.850 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.599 19.571 -9.587 1.00 0.00 N ATOM 0 H GLN A 107 -4.121 16.725 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.141 15.922 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.728 16.547 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.145 17.970 -8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.928 17.905 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.510 16.469 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.934 19.942 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.273 20.207 -10.315 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.769 13.857 -8.414 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.125 12.542 -8.488 1.00 0.00 C ATOM 1622 C PRO A 108 -2.772 12.598 -9.191 1.00 0.00 C ATOM 1623 O PRO A 108 -2.593 13.347 -10.152 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.116 11.706 -9.302 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.866 12.700 -10.121 1.00 0.00 C ATOM 1626 CD PRO A 108 -5.955 13.945 -9.283 1.00 0.00 C ATOM 0 HA PRO A 108 -3.915 12.135 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.599 10.982 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.786 11.142 -8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.351 12.899 -11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.859 12.328 -10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.937 14.845 -9.897 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.877 13.974 -8.703 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.826 11.802 -8.706 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.490 11.761 -9.288 1.00 0.00 C ATOM 1636 C CYS A 109 -0.474 10.912 -10.554 1.00 0.00 C ATOM 1637 O CYS A 109 -1.390 10.126 -10.799 1.00 0.00 O ATOM 1638 CB CYS A 109 0.514 11.207 -8.275 1.00 0.00 C ATOM 1639 SG CYS A 109 2.235 11.285 -8.823 1.00 0.00 S ATOM 0 H CYS A 109 -1.959 11.176 -7.911 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.205 12.779 -9.552 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.416 11.761 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.260 10.170 -8.058 1.00 0.00 H new ATOM 0 HG CYS A 109 2.963 11.828 -7.892 1.00 0.00 H new ATOM 1645 N ARG A 110 0.574 11.074 -11.356 1.00 0.00 N ATOM 1646 CA ARG A 110 0.707 10.324 -12.600 1.00 0.00 C ATOM 1647 C ARG A 110 1.906 9.382 -12.540 1.00 0.00 C ATOM 1648 O ARG A 110 2.979 9.758 -12.070 1.00 0.00 O ATOM 1649 CB ARG A 110 0.856 11.281 -13.784 1.00 0.00 C ATOM 1650 CG ARG A 110 0.087 12.582 -13.616 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.407 12.374 -13.797 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.065 13.562 -14.333 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.428 14.600 -13.587 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.198 14.596 -12.281 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.022 15.645 -14.148 1.00 0.00 N ATOM 0 H ARG A 110 1.343 11.717 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.196 9.728 -12.735 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.912 11.509 -13.925 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.514 10.781 -14.690 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.280 12.995 -12.626 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.444 13.313 -14.341 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.577 11.532 -14.468 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.855 12.113 -12.838 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.256 13.597 -15.334 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.741 13.794 -11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.478 15.394 -11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.200 15.652 -15.152 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.301 16.442 -13.575 1.00 0.00 H new ATOM 1669 N GLN A 111 1.714 8.157 -13.019 1.00 0.00 N ATOM 1670 CA GLN A 111 2.779 7.161 -13.019 1.00 0.00 C ATOM 1671 C GLN A 111 3.903 7.567 -13.966 1.00 0.00 C ATOM 1672 O GLN A 111 3.683 8.296 -14.933 1.00 0.00 O ATOM 1673 CB GLN A 111 2.226 5.792 -13.420 1.00 0.00 C ATOM 1674 CG GLN A 111 2.016 5.637 -14.918 1.00 0.00 C ATOM 1675 CD GLN A 111 1.011 4.555 -15.256 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.380 3.452 -15.659 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.271 4.865 -15.093 1.00 0.00 N ATOM 0 H GLN A 111 0.831 7.831 -13.412 1.00 0.00 H new ATOM 0 HA GLN A 111 3.185 7.099 -12.009 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.911 5.017 -13.075 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.277 5.629 -12.909 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.677 6.586 -15.334 1.00 0.00 H new ATOM 0 HG3 GLN A 111 2.969 5.404 -15.393 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.533 5.792 -14.756 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.993 4.176 -15.304 1.00 0.00 H new ATOM 1686 N LYS A 112 5.110 7.091 -13.681 1.00 0.00 N ATOM 1687 CA LYS A 112 6.271 7.402 -14.507 1.00 0.00 C ATOM 1688 C LYS A 112 6.379 6.433 -15.680 1.00 0.00 C ATOM 1689 O LYS A 112 7.453 5.899 -15.959 1.00 0.00 O ATOM 1690 CB LYS A 112 7.550 7.349 -13.668 1.00 0.00 C ATOM 1691 CG LYS A 112 7.540 8.298 -12.482 1.00 0.00 C ATOM 1692 CD LYS A 112 8.931 8.475 -11.897 1.00 0.00 C ATOM 1693 CE LYS A 112 9.217 7.443 -10.816 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.676 7.310 -10.549 1.00 0.00 N ATOM 0 H LYS A 112 5.310 6.488 -12.883 1.00 0.00 H new ATOM 0 HA LYS A 112 6.145 8.410 -14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.695 6.331 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.402 7.586 -14.305 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.149 9.267 -12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.868 7.915 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.674 8.388 -12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.026 9.477 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.704 7.728 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.814 6.477 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.830 6.598 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.163 7.014 -11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.056 8.225 -10.234 1.00 0.00 H new