USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 806 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl -149:sc= -0.0343 (180deg=-0.411) USER MOD Set 3.1: A 63 GLN : amide:sc= 1.08 K(o=-0.2,f=-2.2) USER MOD Set 3.2: A 64 ASN : amide:sc= -1.28! K(o=-0.2!,f=-2.4) USER MOD Set 4.1: A 44 CYS SG : rot 76:sc= -0.634 USER MOD Set 4.2: A 68 ASN : amide:sc= -3.34! X(o=-4!,f=-3.8) USER MOD Set 5.1: A 34 THR OG1 : rot 180:sc= 0.166 USER MOD Set 5.2: A 35 MET CE :methyl 152:sc= -0.43 (180deg=-1.66!) USER MOD Set 6.1: A 25 TYR OH : rot 65:sc= 0.625 USER MOD Set 6.2: A 48 HIS : no HD1:sc= -3.94 K(o=-3.3,f=-4.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -132:sc= 0.959 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.358 F(o=-1.1,f=-0.36) USER MOD Single : A 21 GLN : amide:sc= -0.392 K(o=-0.39,f=-0.99) USER MOD Single : A 22 THR OG1 : rot -75:sc= 1.18 USER MOD Single : A 29 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 87:sc= 0.661 USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -2.07 (180deg=-2.33) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0468 USER MOD Single : A 50 TYR OH : rot 31:sc= 0.568 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.279! K(o=0.28!,f=-0.78) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.13 F(o=-0.78,f=-0.13) USER MOD Single : A 78 LYS NZ :NH3+ -108:sc= -1.83! (180deg=-4.32!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= -0.335 (180deg=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.94 USER MOD Single : A 102 MET CE :methyl -170:sc= -0.326 (180deg=-0.518) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 120:sc= 0.752! USER MOD Single : A 107 THR OG1 : rot 11:sc= 0.452 USER MOD Single : A 108 GLN :FLIP amide:sc= -2.99! C(o=-3.9!,f=-3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 8.509 -9.248 -6.919 1.00 0.00 N ATOM 128 CA SER A 12 8.444 -8.204 -7.935 1.00 0.00 C ATOM 129 C SER A 12 9.229 -6.971 -7.498 1.00 0.00 C ATOM 130 O SER A 12 9.493 -6.777 -6.311 1.00 0.00 O ATOM 131 CB SER A 12 6.989 -7.824 -8.214 1.00 0.00 C ATOM 132 OG SER A 12 6.823 -7.388 -9.552 1.00 0.00 O ATOM 0 HA SER A 12 8.892 -8.593 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.343 -8.682 -8.025 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.679 -7.034 -7.530 1.00 0.00 H new ATOM 0 HG SER A 12 5.884 -7.153 -9.705 1.00 0.00 H new ATOM 138 N LYS A 13 9.601 -6.140 -8.466 1.00 0.00 N ATOM 139 CA LYS A 13 10.355 -4.925 -8.184 1.00 0.00 C ATOM 140 C LYS A 13 9.596 -4.026 -7.213 1.00 0.00 C ATOM 141 O LYS A 13 10.180 -3.460 -6.288 1.00 0.00 O ATOM 142 CB LYS A 13 10.642 -4.165 -9.481 1.00 0.00 C ATOM 143 CG LYS A 13 11.941 -4.574 -10.151 1.00 0.00 C ATOM 144 CD LYS A 13 11.751 -5.793 -11.039 1.00 0.00 C ATOM 145 CE LYS A 13 11.209 -5.407 -12.407 1.00 0.00 C ATOM 146 NZ LYS A 13 12.283 -4.904 -13.307 1.00 0.00 N ATOM 0 H LYS A 13 9.392 -6.286 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 13 11.299 -5.213 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.818 -4.326 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.674 -3.097 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.321 -3.744 -10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.691 -4.790 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.703 -6.311 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.066 -6.491 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.727 -6.271 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.443 -4.640 -12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.873 -4.652 -14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.726 -4.064 -12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.001 -5.645 -13.438 1.00 0.00 H new ATOM 160 N LEU A 14 8.291 -3.901 -7.427 1.00 0.00 N ATOM 161 CA LEU A 14 7.451 -3.072 -6.570 1.00 0.00 C ATOM 162 C LEU A 14 7.345 -3.669 -5.170 1.00 0.00 C ATOM 163 O LEU A 14 7.487 -2.964 -4.170 1.00 0.00 O ATOM 164 CB LEU A 14 6.056 -2.923 -7.180 1.00 0.00 C ATOM 165 CG LEU A 14 4.982 -2.336 -6.263 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.171 -0.835 -6.113 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.593 -2.650 -6.800 1.00 0.00 C ATOM 0 H LEU A 14 7.792 -4.363 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 14 7.914 -2.088 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.134 -2.292 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.722 -3.904 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 14 5.081 -2.794 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.398 -0.435 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.152 -0.633 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.099 -0.360 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.841 -2.225 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.482 -2.220 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.460 -3.730 -6.855 1.00 0.00 H new ATOM 179 N LEU A 15 7.097 -4.973 -5.106 1.00 0.00 N ATOM 180 CA LEU A 15 6.974 -5.666 -3.828 1.00 0.00 C ATOM 181 C LEU A 15 8.123 -5.297 -2.896 1.00 0.00 C ATOM 182 O LEU A 15 7.914 -4.688 -1.847 1.00 0.00 O ATOM 183 CB LEU A 15 6.948 -7.180 -4.048 1.00 0.00 C ATOM 184 CG LEU A 15 6.974 -8.042 -2.785 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.704 -7.837 -1.973 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.148 -9.510 -3.145 1.00 0.00 C ATOM 0 H LEU A 15 6.977 -5.571 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 15 6.039 -5.355 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.051 -7.429 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.803 -7.452 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 15 7.824 -7.735 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.740 -8.458 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.622 -6.789 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.839 -8.117 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.164 -10.109 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.319 -9.831 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.086 -9.644 -3.684 1.00 0.00 H new ATOM 198 N GLY A 16 9.339 -5.667 -3.286 1.00 0.00 N ATOM 199 CA GLY A 16 10.504 -5.364 -2.475 1.00 0.00 C ATOM 200 C GLY A 16 10.386 -4.029 -1.768 1.00 0.00 C ATOM 201 O GLY A 16 10.536 -3.949 -0.549 1.00 0.00 O ATOM 0 H GLY A 16 9.538 -6.172 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.643 -6.152 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.392 -5.360 -3.107 1.00 0.00 H new ATOM 205 N TRP A 17 10.119 -2.977 -2.535 1.00 0.00 N ATOM 206 CA TRP A 17 9.984 -1.638 -1.974 1.00 0.00 C ATOM 207 C TRP A 17 8.998 -1.632 -0.811 1.00 0.00 C ATOM 208 O TRP A 17 9.331 -1.203 0.295 1.00 0.00 O ATOM 209 CB TRP A 17 9.525 -0.655 -3.052 1.00 0.00 C ATOM 210 CG TRP A 17 9.632 0.780 -2.633 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.743 1.572 -2.695 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.588 1.592 -2.085 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.453 2.827 -2.219 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.138 2.866 -1.839 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.243 1.369 -1.779 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.388 3.909 -1.301 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.500 2.405 -1.246 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.073 3.662 -1.012 1.00 0.00 C ATOM 0 H TRP A 17 9.992 -3.026 -3.546 1.00 0.00 H new ATOM 0 HA TRP A 17 10.960 -1.328 -1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.122 -0.809 -3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.490 -0.873 -3.315 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.708 1.257 -3.064 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.111 3.604 -2.158 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.792 0.404 -1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.828 4.878 -1.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.460 2.243 -1.006 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.465 4.452 -0.595 1.00 0.00 H new ATOM 229 N CYS A 18 7.785 -2.110 -1.066 1.00 0.00 N ATOM 230 CA CYS A 18 6.750 -2.159 -0.040 1.00 0.00 C ATOM 231 C CYS A 18 7.236 -2.926 1.186 1.00 0.00 C ATOM 232 O CYS A 18 6.913 -2.573 2.319 1.00 0.00 O ATOM 233 CB CYS A 18 5.482 -2.809 -0.595 1.00 0.00 C ATOM 234 SG CYS A 18 4.783 -1.958 -2.028 1.00 0.00 S ATOM 0 H CYS A 18 7.494 -2.469 -1.975 1.00 0.00 H new ATOM 0 HA CYS A 18 6.522 -1.136 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.706 -3.839 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.731 -2.847 0.194 1.00 0.00 H new ATOM 0 HG CYS A 18 3.506 -1.788 -1.852 1.00 0.00 H new ATOM 240 N GLN A 19 8.012 -3.979 0.948 1.00 0.00 N ATOM 241 CA GLN A 19 8.540 -4.798 2.033 1.00 0.00 C ATOM 242 C GLN A 19 9.620 -4.048 2.806 1.00 0.00 C ATOM 243 O GLN A 19 9.739 -4.191 4.023 1.00 0.00 O ATOM 244 CB GLN A 19 9.107 -6.107 1.482 1.00 0.00 C ATOM 245 CG GLN A 19 8.146 -6.850 0.569 1.00 0.00 C ATOM 246 CD GLN A 19 8.469 -8.327 0.459 1.00 0.00 C ATOM 247 OE1 GLN A 19 7.437 -9.163 0.486 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 9.633 -8.714 0.350 1.00 0.00 N flip ATOM 0 H GLN A 19 8.289 -4.285 0.015 1.00 0.00 H new ATOM 0 HA GLN A 19 7.721 -5.024 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.024 -5.893 0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.378 -6.755 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.129 -6.731 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.174 -6.401 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.396 -8.037 0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.834 -9.711 0.276 1.00 0.00 H new ATOM 257 N ARG A 20 10.405 -3.248 2.091 1.00 0.00 N ATOM 258 CA ARG A 20 11.476 -2.476 2.710 1.00 0.00 C ATOM 259 C ARG A 20 10.920 -1.242 3.415 1.00 0.00 C ATOM 260 O ARG A 20 11.473 -0.786 4.415 1.00 0.00 O ATOM 261 CB ARG A 20 12.504 -2.056 1.658 1.00 0.00 C ATOM 262 CG ARG A 20 13.331 -3.212 1.119 1.00 0.00 C ATOM 263 CD ARG A 20 14.498 -3.538 2.038 1.00 0.00 C ATOM 264 NE ARG A 20 15.665 -2.706 1.758 1.00 0.00 N ATOM 265 CZ ARG A 20 16.666 -2.532 2.614 1.00 0.00 C ATOM 266 NH1 ARG A 20 16.642 -3.128 3.798 1.00 0.00 N ATOM 267 NH2 ARG A 20 17.694 -1.760 2.286 1.00 0.00 N ATOM 0 H ARG A 20 10.319 -3.118 1.083 1.00 0.00 H new ATOM 0 HA ARG A 20 11.963 -3.108 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.987 -1.573 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.173 -1.313 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.698 -4.092 1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.707 -2.961 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.193 -3.397 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.766 -4.588 1.924 1.00 0.00 H new ATOM 0 HE ARG A 20 15.714 -2.233 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.853 -3.722 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.412 -2.992 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.716 -1.300 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.462 -1.627 2.944 1.00 0.00 H new ATOM 281 N GLN A 21 9.824 -0.708 2.885 1.00 0.00 N ATOM 282 CA GLN A 21 9.195 0.474 3.463 1.00 0.00 C ATOM 283 C GLN A 21 8.250 0.088 4.596 1.00 0.00 C ATOM 284 O GLN A 21 8.360 0.597 5.712 1.00 0.00 O ATOM 285 CB GLN A 21 8.431 1.248 2.387 1.00 0.00 C ATOM 286 CG GLN A 21 9.313 1.744 1.253 1.00 0.00 C ATOM 287 CD GLN A 21 10.733 2.032 1.700 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.959 2.837 2.605 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.698 1.375 1.068 1.00 0.00 N ATOM 0 H GLN A 21 9.354 -1.075 2.057 1.00 0.00 H new ATOM 0 HA GLN A 21 9.980 1.111 3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.651 0.608 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.933 2.101 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.331 0.998 0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.879 2.650 0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.465 0.717 0.324 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.673 1.528 1.326 1.00 0.00 H new ATOM 298 N THR A 22 7.319 -0.815 4.303 1.00 0.00 N ATOM 299 CA THR A 22 6.354 -1.268 5.296 1.00 0.00 C ATOM 300 C THR A 22 7.052 -1.921 6.483 1.00 0.00 C ATOM 301 O THR A 22 6.434 -2.169 7.519 1.00 0.00 O ATOM 302 CB THR A 22 5.352 -2.269 4.690 1.00 0.00 C ATOM 303 OG1 THR A 22 6.012 -3.505 4.394 1.00 0.00 O ATOM 304 CG2 THR A 22 4.725 -1.707 3.423 1.00 0.00 C ATOM 0 H THR A 22 7.213 -1.247 3.385 1.00 0.00 H new ATOM 0 HA THR A 22 5.813 -0.385 5.637 1.00 0.00 H new ATOM 0 HB THR A 22 4.562 -2.445 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.559 -3.399 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.021 -2.431 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.198 -0.782 3.657 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.506 -1.505 2.690 1.00 0.00 H new ATOM 312 N ASP A 23 8.342 -2.196 6.327 1.00 0.00 N ATOM 313 CA ASP A 23 9.125 -2.819 7.388 1.00 0.00 C ATOM 314 C ASP A 23 9.128 -1.951 8.642 1.00 0.00 C ATOM 315 O ASP A 23 9.492 -0.776 8.596 1.00 0.00 O ATOM 316 CB ASP A 23 10.559 -3.062 6.917 1.00 0.00 C ATOM 317 CG ASP A 23 11.405 -3.753 7.969 1.00 0.00 C ATOM 318 OD1 ASP A 23 10.977 -4.813 8.470 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.494 -3.232 8.290 1.00 0.00 O ATOM 0 H ASP A 23 8.868 -1.997 5.476 1.00 0.00 H new ATOM 0 HA ASP A 23 8.664 -3.776 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.543 -3.669 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.018 -2.109 6.654 1.00 0.00 H new ATOM 324 N GLY A 24 8.719 -2.537 9.763 1.00 0.00 N ATOM 325 CA GLY A 24 8.681 -1.802 11.014 1.00 0.00 C ATOM 326 C GLY A 24 7.311 -1.829 11.661 1.00 0.00 C ATOM 327 O GLY A 24 7.194 -1.790 12.886 1.00 0.00 O ATOM 0 H GLY A 24 8.413 -3.508 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.413 -2.225 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.974 -0.768 10.833 1.00 0.00 H new ATOM 331 N TYR A 25 6.270 -1.894 10.838 1.00 0.00 N ATOM 332 CA TYR A 25 4.901 -1.921 11.337 1.00 0.00 C ATOM 333 C TYR A 25 4.561 -3.290 11.919 1.00 0.00 C ATOM 334 O TYR A 25 5.323 -4.245 11.774 1.00 0.00 O ATOM 335 CB TYR A 25 3.920 -1.573 10.216 1.00 0.00 C ATOM 336 CG TYR A 25 3.947 -0.114 9.819 1.00 0.00 C ATOM 337 CD1 TYR A 25 4.946 0.382 8.991 1.00 0.00 C ATOM 338 CD2 TYR A 25 2.972 0.767 10.271 1.00 0.00 C ATOM 339 CE1 TYR A 25 4.975 1.715 8.627 1.00 0.00 C ATOM 340 CE2 TYR A 25 2.993 2.100 9.910 1.00 0.00 C ATOM 341 CZ TYR A 25 3.996 2.569 9.089 1.00 0.00 C ATOM 342 OH TYR A 25 4.021 3.897 8.727 1.00 0.00 O ATOM 0 H TYR A 25 6.349 -1.929 9.822 1.00 0.00 H new ATOM 0 HA TYR A 25 4.815 -1.177 12.129 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.149 -2.183 9.342 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.911 -1.836 10.533 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.713 -0.285 8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.185 0.403 10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.760 2.086 7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.227 2.772 10.269 1.00 0.00 H new ATOM 0 HH TYR A 25 3.883 3.975 7.760 1.00 0.00 H new ATOM 352 N ALA A 26 3.410 -3.376 12.578 1.00 0.00 N ATOM 353 CA ALA A 26 2.965 -4.627 13.180 1.00 0.00 C ATOM 354 C ALA A 26 1.744 -5.182 12.455 1.00 0.00 C ATOM 355 O ALA A 26 0.746 -4.484 12.277 1.00 0.00 O ATOM 356 CB ALA A 26 2.658 -4.423 14.656 1.00 0.00 C ATOM 0 H ALA A 26 2.769 -2.594 12.709 1.00 0.00 H new ATOM 0 HA ALA A 26 3.772 -5.354 13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.327 -5.365 15.092 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.556 -4.081 15.170 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.871 -3.677 14.764 1.00 0.00 H new ATOM 362 N GLY A 27 1.830 -6.441 12.038 1.00 0.00 N ATOM 363 CA GLY A 27 0.724 -7.068 11.337 1.00 0.00 C ATOM 364 C GLY A 27 0.859 -6.961 9.831 1.00 0.00 C ATOM 365 O GLY A 27 0.431 -7.853 9.097 1.00 0.00 O ATOM 0 H GLY A 27 2.646 -7.038 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.667 -8.119 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.211 -6.603 11.649 1.00 0.00 H new ATOM 369 N VAL A 28 1.453 -5.866 9.367 1.00 0.00 N ATOM 370 CA VAL A 28 1.642 -5.646 7.938 1.00 0.00 C ATOM 371 C VAL A 28 2.355 -6.827 7.290 1.00 0.00 C ATOM 372 O VAL A 28 1.767 -7.562 6.497 1.00 0.00 O ATOM 373 CB VAL A 28 2.450 -4.362 7.670 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.428 -4.017 6.189 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.909 -3.210 8.503 1.00 0.00 C ATOM 0 H VAL A 28 1.812 -5.118 9.960 1.00 0.00 H new ATOM 0 HA VAL A 28 0.650 -5.540 7.500 1.00 0.00 H new ATOM 0 HB VAL A 28 3.486 -4.537 7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.004 -3.107 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.866 -4.836 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.398 -3.860 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.491 -2.311 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.865 -3.032 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.982 -3.460 9.561 1.00 0.00 H new ATOM 385 N ASN A 29 3.627 -7.003 7.632 1.00 0.00 N ATOM 386 CA ASN A 29 4.422 -8.096 7.083 1.00 0.00 C ATOM 387 C ASN A 29 4.022 -8.388 5.640 1.00 0.00 C ATOM 388 O ASN A 29 3.839 -9.544 5.257 1.00 0.00 O ATOM 389 CB ASN A 29 4.255 -9.355 7.936 1.00 0.00 C ATOM 390 CG ASN A 29 4.969 -10.554 7.342 1.00 0.00 C ATOM 391 OD1 ASN A 29 6.197 -10.628 7.354 1.00 0.00 O ATOM 392 ND2 ASN A 29 4.199 -11.501 6.819 1.00 0.00 N ATOM 0 H ASN A 29 4.129 -6.403 8.286 1.00 0.00 H new ATOM 0 HA ASN A 29 5.469 -7.793 7.097 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.640 -9.166 8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.194 -9.582 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.622 -12.332 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.184 -11.398 6.831 1.00 0.00 H new ATOM 399 N VAL A 30 3.887 -7.333 4.843 1.00 0.00 N ATOM 400 CA VAL A 30 3.509 -7.476 3.442 1.00 0.00 C ATOM 401 C VAL A 30 4.286 -8.606 2.776 1.00 0.00 C ATOM 402 O VAL A 30 5.476 -8.471 2.487 1.00 0.00 O ATOM 403 CB VAL A 30 3.751 -6.171 2.660 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.616 -6.412 1.164 1.00 0.00 C ATOM 405 CG2 VAL A 30 2.788 -5.087 3.122 1.00 0.00 C ATOM 0 H VAL A 30 4.034 -6.369 5.144 1.00 0.00 H new ATOM 0 HA VAL A 30 2.445 -7.710 3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 4.768 -5.832 2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.790 -5.479 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.348 -7.155 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.612 -6.775 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.973 -4.172 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.762 -5.416 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.938 -4.896 4.185 1.00 0.00 H new ATOM 415 N THR A 31 3.606 -9.722 2.534 1.00 0.00 N ATOM 416 CA THR A 31 4.232 -10.877 1.903 1.00 0.00 C ATOM 417 C THR A 31 3.766 -11.034 0.460 1.00 0.00 C ATOM 418 O THR A 31 4.537 -11.440 -0.410 1.00 0.00 O ATOM 419 CB THR A 31 3.924 -12.174 2.674 1.00 0.00 C ATOM 420 OG1 THR A 31 4.612 -13.277 2.073 1.00 0.00 O ATOM 421 CG2 THR A 31 2.428 -12.452 2.690 1.00 0.00 C ATOM 0 H THR A 31 2.621 -9.850 2.766 1.00 0.00 H new ATOM 0 HA THR A 31 5.308 -10.701 1.918 1.00 0.00 H new ATOM 0 HB THR A 31 4.266 -12.049 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.412 -14.097 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.235 -13.373 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.909 -11.625 3.174 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.067 -12.558 1.667 1.00 0.00 H new ATOM 429 N ASP A 32 2.502 -10.710 0.213 1.00 0.00 N ATOM 430 CA ASP A 32 1.934 -10.813 -1.127 1.00 0.00 C ATOM 431 C ASP A 32 1.250 -9.511 -1.529 1.00 0.00 C ATOM 432 O ASP A 32 0.715 -8.791 -0.684 1.00 0.00 O ATOM 433 CB ASP A 32 0.935 -11.970 -1.192 1.00 0.00 C ATOM 434 CG ASP A 32 1.446 -13.216 -0.496 1.00 0.00 C ATOM 435 OD1 ASP A 32 2.617 -13.585 -0.724 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.675 -13.821 0.277 1.00 0.00 O ATOM 0 H ASP A 32 1.851 -10.374 0.922 1.00 0.00 H new ATOM 0 HA ASP A 32 2.748 -11.005 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.005 -11.661 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.720 -12.202 -2.235 1.00 0.00 H new ATOM 441 N LEU A 33 1.272 -9.212 -2.823 1.00 0.00 N ATOM 442 CA LEU A 33 0.655 -7.995 -3.338 1.00 0.00 C ATOM 443 C LEU A 33 -0.829 -8.212 -3.615 1.00 0.00 C ATOM 444 O LEU A 33 -1.361 -7.738 -4.620 1.00 0.00 O ATOM 445 CB LEU A 33 1.363 -7.542 -4.616 1.00 0.00 C ATOM 446 CG LEU A 33 2.892 -7.566 -4.581 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.453 -7.828 -5.970 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.433 -6.257 -4.024 1.00 0.00 C ATOM 0 H LEU A 33 1.711 -9.796 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 33 0.754 -7.218 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.028 -8.176 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.041 -6.526 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 33 3.209 -8.376 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.542 -7.842 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.092 -8.791 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.127 -7.040 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.522 -6.292 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.106 -5.430 -4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.058 -6.110 -3.011 1.00 0.00 H new ATOM 460 N THR A 34 -1.495 -8.931 -2.717 1.00 0.00 N ATOM 461 CA THR A 34 -2.918 -9.210 -2.863 1.00 0.00 C ATOM 462 C THR A 34 -3.672 -8.912 -1.573 1.00 0.00 C ATOM 463 O THR A 34 -4.403 -7.926 -1.483 1.00 0.00 O ATOM 464 CB THR A 34 -3.164 -10.677 -3.262 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.411 -11.549 -2.412 1.00 0.00 O ATOM 466 CG2 THR A 34 -2.776 -10.916 -4.713 1.00 0.00 C ATOM 0 H THR A 34 -1.071 -9.331 -1.880 1.00 0.00 H new ATOM 0 HA THR A 34 -3.288 -8.559 -3.655 1.00 0.00 H new ATOM 0 HB THR A 34 -4.227 -10.888 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.574 -12.480 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.959 -11.959 -4.971 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.372 -10.272 -5.360 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.719 -10.688 -4.849 1.00 0.00 H new ATOM 474 N MET A 35 -3.490 -9.771 -0.575 1.00 0.00 N ATOM 475 CA MET A 35 -4.153 -9.598 0.712 1.00 0.00 C ATOM 476 C MET A 35 -3.444 -8.540 1.552 1.00 0.00 C ATOM 477 O MET A 35 -4.086 -7.704 2.186 1.00 0.00 O ATOM 478 CB MET A 35 -4.194 -10.926 1.472 1.00 0.00 C ATOM 479 CG MET A 35 -2.820 -11.442 1.867 1.00 0.00 C ATOM 480 SD MET A 35 -2.779 -13.235 2.054 1.00 0.00 S ATOM 481 CE MET A 35 -3.312 -13.757 0.426 1.00 0.00 C ATOM 0 H MET A 35 -2.889 -10.593 -0.633 1.00 0.00 H new ATOM 0 HA MET A 35 -5.173 -9.263 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.799 -10.803 2.370 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.690 -11.674 0.854 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.093 -11.143 1.112 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.517 -10.976 2.804 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.889 -14.736 0.201 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.400 -13.818 0.402 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.972 -13.035 -0.317 1.00 0.00 H new ATOM 491 N SER A 36 -2.115 -8.583 1.550 1.00 0.00 N ATOM 492 CA SER A 36 -1.319 -7.631 2.315 1.00 0.00 C ATOM 493 C SER A 36 -1.984 -6.258 2.333 1.00 0.00 C ATOM 494 O SER A 36 -1.895 -5.526 3.320 1.00 0.00 O ATOM 495 CB SER A 36 0.088 -7.520 1.724 1.00 0.00 C ATOM 496 OG SER A 36 0.766 -8.763 1.786 1.00 0.00 O ATOM 0 H SER A 36 -1.568 -9.267 1.027 1.00 0.00 H new ATOM 0 HA SER A 36 -1.248 -7.995 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.026 -7.187 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.656 -6.765 2.268 1.00 0.00 H new ATOM 0 HG SER A 36 0.553 -9.292 0.989 1.00 0.00 H new ATOM 502 N TRP A 37 -2.650 -5.915 1.236 1.00 0.00 N ATOM 503 CA TRP A 37 -3.331 -4.630 1.126 1.00 0.00 C ATOM 504 C TRP A 37 -4.806 -4.763 1.485 1.00 0.00 C ATOM 505 O TRP A 37 -5.393 -3.864 2.087 1.00 0.00 O ATOM 506 CB TRP A 37 -3.187 -4.074 -0.292 1.00 0.00 C ATOM 507 CG TRP A 37 -1.776 -4.098 -0.799 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.171 -5.109 -1.489 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.796 -3.065 -0.654 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.127 -4.767 -1.782 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.382 -3.518 -1.281 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.798 -1.802 -0.057 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.543 -2.751 -1.325 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.355 -1.042 -0.102 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.513 -1.518 -0.733 1.00 0.00 C ATOM 0 H TRP A 37 -2.733 -6.508 0.411 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.866 -3.939 1.829 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.818 -4.652 -0.967 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.555 -3.048 -0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.643 -6.041 -1.764 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.793 -5.349 -2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.685 -1.426 0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.436 -3.117 -1.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.364 -0.064 0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.398 -0.900 -0.752 1.00 0.00 H new ATOM 526 N LYS A 38 -5.402 -5.891 1.113 1.00 0.00 N ATOM 527 CA LYS A 38 -6.810 -6.143 1.397 1.00 0.00 C ATOM 528 C LYS A 38 -7.207 -5.551 2.746 1.00 0.00 C ATOM 529 O LYS A 38 -8.179 -4.802 2.844 1.00 0.00 O ATOM 530 CB LYS A 38 -7.093 -7.647 1.385 1.00 0.00 C ATOM 531 CG LYS A 38 -7.312 -8.213 -0.007 1.00 0.00 C ATOM 532 CD LYS A 38 -7.565 -9.711 0.034 1.00 0.00 C ATOM 533 CE LYS A 38 -9.042 -10.022 0.221 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.856 -9.565 -0.939 1.00 0.00 N ATOM 0 H LYS A 38 -4.931 -6.646 0.614 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.404 -5.662 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.259 -8.169 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.976 -7.847 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.160 -7.713 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.439 -8.007 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.210 -10.166 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.993 -10.156 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.173 -11.096 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.402 -9.540 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.790 -10.022 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.974 -8.533 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.373 -9.821 -1.824 1.00 0.00 H new ATOM 548 N SER A 39 -6.448 -5.891 3.783 1.00 0.00 N ATOM 549 CA SER A 39 -6.722 -5.395 5.126 1.00 0.00 C ATOM 550 C SER A 39 -6.804 -3.872 5.137 1.00 0.00 C ATOM 551 O SER A 39 -7.823 -3.296 5.518 1.00 0.00 O ATOM 552 CB SER A 39 -5.638 -5.865 6.098 1.00 0.00 C ATOM 553 OG SER A 39 -4.344 -5.569 5.601 1.00 0.00 O ATOM 0 H SER A 39 -5.638 -6.508 3.718 1.00 0.00 H new ATOM 0 HA SER A 39 -7.684 -5.796 5.444 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.779 -5.383 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.732 -6.939 6.261 1.00 0.00 H new ATOM 0 HG SER A 39 -3.669 -5.878 6.241 1.00 0.00 H new ATOM 559 N GLY A 40 -5.722 -3.224 4.715 1.00 0.00 N ATOM 560 CA GLY A 40 -5.691 -1.773 4.684 1.00 0.00 C ATOM 561 C GLY A 40 -4.488 -1.203 5.408 1.00 0.00 C ATOM 562 O GLY A 40 -3.921 -0.194 4.986 1.00 0.00 O ATOM 0 H GLY A 40 -4.867 -3.678 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.681 -1.435 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.602 -1.383 5.138 1.00 0.00 H new ATOM 566 N LEU A 41 -4.097 -1.849 6.501 1.00 0.00 N ATOM 567 CA LEU A 41 -2.954 -1.399 7.287 1.00 0.00 C ATOM 568 C LEU A 41 -1.780 -1.035 6.383 1.00 0.00 C ATOM 569 O LEU A 41 -1.285 0.091 6.416 1.00 0.00 O ATOM 570 CB LEU A 41 -2.531 -2.486 8.277 1.00 0.00 C ATOM 571 CG LEU A 41 -3.505 -2.767 9.422 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.070 -3.997 10.203 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.612 -1.559 10.340 1.00 0.00 C ATOM 0 H LEU A 41 -4.555 -2.686 6.863 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.253 -0.508 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.375 -3.412 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.569 -2.205 8.706 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.489 -2.962 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.775 -4.181 11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.047 -4.861 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.076 -3.832 10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.309 -1.777 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.631 -1.332 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.972 -0.701 9.772 1.00 0.00 H new ATOM 585 N ALA A 42 -1.343 -1.995 5.575 1.00 0.00 N ATOM 586 CA ALA A 42 -0.231 -1.774 4.658 1.00 0.00 C ATOM 587 C ALA A 42 -0.328 -0.403 3.998 1.00 0.00 C ATOM 588 O ALA A 42 0.448 0.503 4.306 1.00 0.00 O ATOM 589 CB ALA A 42 -0.192 -2.869 3.603 1.00 0.00 C ATOM 0 H ALA A 42 -1.742 -2.933 5.537 1.00 0.00 H new ATOM 0 HA ALA A 42 0.694 -1.806 5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.643 -2.692 2.925 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.066 -3.837 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.125 -2.864 3.039 1.00 0.00 H new ATOM 595 N LEU A 43 -1.284 -0.256 3.088 1.00 0.00 N ATOM 596 CA LEU A 43 -1.483 1.005 2.383 1.00 0.00 C ATOM 597 C LEU A 43 -1.361 2.188 3.338 1.00 0.00 C ATOM 598 O LEU A 43 -0.704 3.183 3.029 1.00 0.00 O ATOM 599 CB LEU A 43 -2.853 1.023 1.703 1.00 0.00 C ATOM 600 CG LEU A 43 -3.068 2.112 0.652 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.936 2.105 -0.363 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.410 1.928 -0.041 1.00 0.00 C ATOM 0 H LEU A 43 -1.934 -0.995 2.821 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.707 1.093 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.014 0.054 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.617 1.134 2.473 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.072 3.079 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.106 2.887 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.990 2.287 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.900 1.136 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.546 2.712 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.436 0.954 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.211 1.985 0.696 1.00 0.00 H new ATOM 614 N CYS A 44 -1.996 2.072 4.499 1.00 0.00 N ATOM 615 CA CYS A 44 -1.958 3.131 5.500 1.00 0.00 C ATOM 616 C CYS A 44 -0.543 3.319 6.039 1.00 0.00 C ATOM 617 O CYS A 44 -0.148 4.428 6.399 1.00 0.00 O ATOM 618 CB CYS A 44 -2.916 2.811 6.649 1.00 0.00 C ATOM 619 SG CYS A 44 -4.643 2.637 6.143 1.00 0.00 S ATOM 0 H CYS A 44 -2.543 1.255 4.770 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.272 4.059 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.594 1.887 7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.846 3.600 7.397 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.810 1.488 5.558 1.00 0.00 H new ATOM 625 N ALA A 45 0.214 2.228 6.093 1.00 0.00 N ATOM 626 CA ALA A 45 1.584 2.273 6.588 1.00 0.00 C ATOM 627 C ALA A 45 2.521 2.889 5.555 1.00 0.00 C ATOM 628 O ALA A 45 3.574 3.425 5.900 1.00 0.00 O ATOM 629 CB ALA A 45 2.055 0.876 6.964 1.00 0.00 C ATOM 0 H ALA A 45 -0.099 1.302 5.800 1.00 0.00 H new ATOM 0 HA ALA A 45 1.602 2.903 7.478 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.080 0.924 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.408 0.471 7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.015 0.230 6.087 1.00 0.00 H new ATOM 635 N ILE A 46 2.131 2.809 4.287 1.00 0.00 N ATOM 636 CA ILE A 46 2.937 3.359 3.204 1.00 0.00 C ATOM 637 C ILE A 46 2.893 4.883 3.207 1.00 0.00 C ATOM 638 O ILE A 46 3.930 5.544 3.260 1.00 0.00 O ATOM 639 CB ILE A 46 2.462 2.845 1.832 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.570 1.320 1.769 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.275 3.486 0.717 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.996 0.816 1.762 1.00 0.00 C ATOM 0 H ILE A 46 1.262 2.369 3.985 1.00 0.00 H new ATOM 0 HA ILE A 46 3.962 3.027 3.372 1.00 0.00 H new ATOM 0 HB ILE A 46 1.416 3.122 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.046 0.891 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.063 0.965 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.928 3.113 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.152 4.568 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.328 3.236 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.997 -0.273 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.519 1.216 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.501 1.141 2.671 1.00 0.00 H new ATOM 654 N ILE A 47 1.685 5.435 3.150 1.00 0.00 N ATOM 655 CA ILE A 47 1.506 6.882 3.149 1.00 0.00 C ATOM 656 C ILE A 47 2.123 7.513 4.393 1.00 0.00 C ATOM 657 O ILE A 47 2.812 8.530 4.309 1.00 0.00 O ATOM 658 CB ILE A 47 0.016 7.264 3.078 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.603 6.751 1.776 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.149 8.773 3.190 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.107 6.601 1.841 1.00 0.00 C ATOM 0 H ILE A 47 0.816 4.902 3.104 1.00 0.00 H new ATOM 0 HA ILE A 47 2.013 7.263 2.262 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.504 6.797 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.349 7.436 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.160 5.787 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.207 9.028 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.260 9.114 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.382 9.259 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.478 6.234 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.368 5.893 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.560 7.568 2.058 1.00 0.00 H new ATOM 673 N HIS A 48 1.871 6.902 5.546 1.00 0.00 N ATOM 674 CA HIS A 48 2.403 7.403 6.809 1.00 0.00 C ATOM 675 C HIS A 48 3.924 7.283 6.843 1.00 0.00 C ATOM 676 O HIS A 48 4.622 8.221 7.228 1.00 0.00 O ATOM 677 CB HIS A 48 1.793 6.639 7.983 1.00 0.00 C ATOM 678 CG HIS A 48 2.348 7.043 9.315 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.657 6.819 9.684 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.763 7.663 10.366 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.853 7.281 10.906 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.719 7.800 11.342 1.00 0.00 N ATOM 0 H HIS A 48 1.302 6.060 5.632 1.00 0.00 H new ATOM 0 HA HIS A 48 2.137 8.457 6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.714 6.795 7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.960 5.572 7.838 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.735 7.989 10.426 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.782 7.241 11.455 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.577 8.232 12.255 1.00 0.00 H new ATOM 691 N ARG A 49 4.430 6.122 6.438 1.00 0.00 N ATOM 692 CA ARG A 49 5.867 5.879 6.424 1.00 0.00 C ATOM 693 C ARG A 49 6.630 7.144 6.040 1.00 0.00 C ATOM 694 O ARG A 49 7.633 7.489 6.663 1.00 0.00 O ATOM 695 CB ARG A 49 6.206 4.750 5.449 1.00 0.00 C ATOM 696 CG ARG A 49 7.698 4.513 5.286 1.00 0.00 C ATOM 697 CD ARG A 49 8.291 3.836 6.512 1.00 0.00 C ATOM 698 NE ARG A 49 9.751 3.845 6.490 1.00 0.00 N ATOM 699 CZ ARG A 49 10.504 3.159 7.343 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.936 2.412 8.280 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.827 3.218 7.259 1.00 0.00 N ATOM 0 H ARG A 49 3.866 5.336 6.116 1.00 0.00 H new ATOM 0 HA ARG A 49 6.169 5.585 7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.736 3.829 5.795 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.775 4.981 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.875 3.895 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.202 5.464 5.114 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.939 4.342 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.936 2.807 6.565 1.00 0.00 H new ATOM 0 HE ARG A 49 10.219 4.409 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.919 2.363 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.516 1.886 8.934 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.267 3.791 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.404 2.691 7.915 1.00 0.00 H new ATOM 715 N TYR A 50 6.146 7.829 5.010 1.00 0.00 N ATOM 716 CA TYR A 50 6.783 9.054 4.540 1.00 0.00 C ATOM 717 C TYR A 50 6.098 10.284 5.128 1.00 0.00 C ATOM 718 O TYR A 50 6.749 11.152 5.710 1.00 0.00 O ATOM 719 CB TYR A 50 6.748 9.118 3.013 1.00 0.00 C ATOM 720 CG TYR A 50 7.709 8.161 2.344 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.552 6.787 2.470 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.775 8.632 1.587 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.428 5.908 1.862 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.655 7.761 0.974 1.00 0.00 C ATOM 725 CZ TYR A 50 9.478 6.401 1.115 1.00 0.00 C ATOM 726 OH TYR A 50 10.353 5.530 0.507 1.00 0.00 O ATOM 0 H TYR A 50 5.315 7.557 4.485 1.00 0.00 H new ATOM 0 HA TYR A 50 7.821 9.045 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.736 8.901 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.980 10.134 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.731 6.398 3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.918 9.697 1.476 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.292 4.842 1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.477 8.143 0.387 1.00 0.00 H new ATOM 0 HH TYR A 50 9.881 4.705 0.269 1.00 0.00 H new ATOM 736 N ARG A 51 4.780 10.351 4.972 1.00 0.00 N ATOM 737 CA ARG A 51 4.006 11.474 5.486 1.00 0.00 C ATOM 738 C ARG A 51 2.949 10.997 6.478 1.00 0.00 C ATOM 739 O ARG A 51 1.851 10.585 6.102 1.00 0.00 O ATOM 740 CB ARG A 51 3.337 12.229 4.336 1.00 0.00 C ATOM 741 CG ARG A 51 4.303 12.646 3.238 1.00 0.00 C ATOM 742 CD ARG A 51 4.893 14.021 3.509 1.00 0.00 C ATOM 743 NE ARG A 51 5.220 14.729 2.273 1.00 0.00 N ATOM 744 CZ ARG A 51 6.363 14.571 1.616 1.00 0.00 C ATOM 745 NH1 ARG A 51 7.284 13.733 2.073 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.587 15.250 0.499 1.00 0.00 N ATOM 0 H ARG A 51 4.226 9.641 4.494 1.00 0.00 H new ATOM 0 HA ARG A 51 4.689 12.147 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.558 11.600 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.846 13.117 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.106 11.913 3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.785 12.654 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.184 14.612 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.792 13.917 4.116 1.00 0.00 H new ATOM 0 HE ARG A 51 4.532 15.380 1.894 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.115 13.208 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.161 13.614 1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.881 15.895 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.465 15.128 -0.005 1.00 0.00 H new ATOM 760 N PRO A 52 3.286 11.053 7.775 1.00 0.00 N ATOM 761 CA PRO A 52 2.380 10.631 8.847 1.00 0.00 C ATOM 762 C PRO A 52 1.197 11.578 9.013 1.00 0.00 C ATOM 763 O PRO A 52 0.169 11.209 9.581 1.00 0.00 O ATOM 764 CB PRO A 52 3.268 10.661 10.094 1.00 0.00 C ATOM 765 CG PRO A 52 4.337 11.648 9.774 1.00 0.00 C ATOM 766 CD PRO A 52 4.578 11.533 8.294 1.00 0.00 C ATOM 0 HA PRO A 52 1.937 9.656 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.702 10.962 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.688 9.677 10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.028 12.658 10.042 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.247 11.434 10.335 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.856 12.492 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.385 10.835 8.071 1.00 0.00 H new ATOM 774 N ASP A 53 1.349 12.800 8.513 1.00 0.00 N ATOM 775 CA ASP A 53 0.291 13.800 8.604 1.00 0.00 C ATOM 776 C ASP A 53 -0.933 13.372 7.801 1.00 0.00 C ATOM 777 O ASP A 53 -2.054 13.372 8.311 1.00 0.00 O ATOM 778 CB ASP A 53 0.797 15.154 8.105 1.00 0.00 C ATOM 779 CG ASP A 53 1.475 15.958 9.197 1.00 0.00 C ATOM 780 OD1 ASP A 53 2.619 15.615 9.562 1.00 0.00 O ATOM 781 OD2 ASP A 53 0.862 16.930 9.687 1.00 0.00 O ATOM 0 H ASP A 53 2.194 13.122 8.041 1.00 0.00 H new ATOM 0 HA ASP A 53 0.001 13.892 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.498 14.997 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.040 15.726 7.704 1.00 0.00 H new ATOM 786 N LEU A 54 -0.711 13.009 6.543 1.00 0.00 N ATOM 787 CA LEU A 54 -1.796 12.579 5.668 1.00 0.00 C ATOM 788 C LEU A 54 -2.663 11.527 6.352 1.00 0.00 C ATOM 789 O LEU A 54 -3.875 11.700 6.486 1.00 0.00 O ATOM 790 CB LEU A 54 -1.232 12.020 4.360 1.00 0.00 C ATOM 791 CG LEU A 54 -0.191 12.888 3.652 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.277 12.220 2.369 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.759 14.270 3.361 1.00 0.00 C ATOM 0 H LEU A 54 0.211 13.004 6.106 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.417 13.447 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.785 11.048 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.061 11.850 3.673 1.00 0.00 H new ATOM 0 HG LEU A 54 0.669 13.002 4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.017 12.852 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.723 11.254 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.574 12.075 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.005 14.875 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.636 14.176 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.043 14.751 4.297 1.00 0.00 H new ATOM 805 N ILE A 55 -2.035 10.439 6.783 1.00 0.00 N ATOM 806 CA ILE A 55 -2.749 9.362 7.457 1.00 0.00 C ATOM 807 C ILE A 55 -2.089 9.012 8.786 1.00 0.00 C ATOM 808 O ILE A 55 -0.865 9.038 8.910 1.00 0.00 O ATOM 809 CB ILE A 55 -2.814 8.096 6.581 1.00 0.00 C ATOM 810 CG1 ILE A 55 -3.997 7.221 6.999 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.511 7.317 6.677 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.446 6.257 5.923 1.00 0.00 C ATOM 0 H ILE A 55 -1.033 10.280 6.678 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.762 9.721 7.640 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.958 8.397 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.724 6.656 7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.834 7.863 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.573 6.426 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.687 7.943 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.338 7.023 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.288 5.669 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.751 6.816 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.623 5.590 5.665 1.00 0.00 H new ATOM 824 N ASP A 56 -2.909 8.683 9.778 1.00 0.00 N ATOM 825 CA ASP A 56 -2.406 8.325 11.099 1.00 0.00 C ATOM 826 C ASP A 56 -2.563 6.829 11.353 1.00 0.00 C ATOM 827 O ASP A 56 -3.669 6.340 11.586 1.00 0.00 O ATOM 828 CB ASP A 56 -3.142 9.118 12.181 1.00 0.00 C ATOM 829 CG ASP A 56 -2.279 9.368 13.402 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.431 8.507 13.716 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.452 10.426 14.044 1.00 0.00 O ATOM 0 H ASP A 56 -3.925 8.657 9.692 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.345 8.573 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.469 10.073 11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.039 8.575 12.479 1.00 0.00 H new ATOM 836 N PHE A 57 -1.448 6.106 11.306 1.00 0.00 N ATOM 837 CA PHE A 57 -1.462 4.665 11.528 1.00 0.00 C ATOM 838 C PHE A 57 -1.602 4.345 13.014 1.00 0.00 C ATOM 839 O PHE A 57 -2.184 3.327 13.388 1.00 0.00 O ATOM 840 CB PHE A 57 -0.183 4.030 10.977 1.00 0.00 C ATOM 841 CG PHE A 57 -0.204 2.528 10.993 1.00 0.00 C ATOM 842 CD1 PHE A 57 0.052 1.831 12.162 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.481 1.814 9.839 1.00 0.00 C ATOM 844 CE1 PHE A 57 0.034 0.449 12.179 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.501 0.432 9.850 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.244 -0.251 11.022 1.00 0.00 C ATOM 0 H PHE A 57 -0.524 6.495 11.116 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.322 4.250 11.002 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.029 4.372 9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.668 4.380 11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.268 2.373 13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.684 2.343 8.920 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.237 -0.083 13.097 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.717 -0.113 8.943 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.260 -1.331 11.034 1.00 0.00 H new ATOM 856 N ASP A 58 -1.064 5.222 13.854 1.00 0.00 N ATOM 857 CA ASP A 58 -1.129 5.034 15.299 1.00 0.00 C ATOM 858 C ASP A 58 -2.569 5.124 15.795 1.00 0.00 C ATOM 859 O ASP A 58 -2.885 4.682 16.899 1.00 0.00 O ATOM 860 CB ASP A 58 -0.266 6.078 16.010 1.00 0.00 C ATOM 861 CG ASP A 58 -0.305 5.932 17.518 1.00 0.00 C ATOM 862 OD1 ASP A 58 -0.595 4.817 17.998 1.00 0.00 O ATOM 863 OD2 ASP A 58 -0.047 6.934 18.218 1.00 0.00 O ATOM 0 H ASP A 58 -0.578 6.069 13.560 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.746 4.040 15.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.764 5.989 15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.608 7.076 15.736 1.00 0.00 H new ATOM 868 N SER A 59 -3.438 5.701 14.971 1.00 0.00 N ATOM 869 CA SER A 59 -4.844 5.853 15.327 1.00 0.00 C ATOM 870 C SER A 59 -5.676 4.708 14.759 1.00 0.00 C ATOM 871 O SER A 59 -6.565 4.179 15.428 1.00 0.00 O ATOM 872 CB SER A 59 -5.380 7.191 14.813 1.00 0.00 C ATOM 873 OG SER A 59 -5.131 8.231 15.744 1.00 0.00 O ATOM 0 H SER A 59 -3.193 6.071 14.052 1.00 0.00 H new ATOM 0 HA SER A 59 -4.922 5.831 16.414 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.911 7.432 13.859 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.452 7.111 14.630 1.00 0.00 H new ATOM 0 HG SER A 59 -5.481 9.076 15.392 1.00 0.00 H new ATOM 879 N LEU A 60 -5.382 4.329 13.520 1.00 0.00 N ATOM 880 CA LEU A 60 -6.102 3.246 12.860 1.00 0.00 C ATOM 881 C LEU A 60 -6.025 1.962 13.679 1.00 0.00 C ATOM 882 O LEU A 60 -5.061 1.738 14.412 1.00 0.00 O ATOM 883 CB LEU A 60 -5.531 3.006 11.461 1.00 0.00 C ATOM 884 CG LEU A 60 -5.674 4.162 10.470 1.00 0.00 C ATOM 885 CD1 LEU A 60 -4.694 4.003 9.318 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.102 4.246 9.951 1.00 0.00 C ATOM 0 H LEU A 60 -4.650 4.756 12.952 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.149 3.538 12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.472 2.767 11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.019 2.128 11.037 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.443 5.092 10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.811 4.835 8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.675 3.994 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.893 3.066 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.185 5.074 9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.362 3.315 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.784 4.410 10.786 1.00 0.00 H new ATOM 898 N ASP A 61 -7.045 1.121 13.549 1.00 0.00 N ATOM 899 CA ASP A 61 -7.092 -0.143 14.275 1.00 0.00 C ATOM 900 C ASP A 61 -7.066 -1.325 13.311 1.00 0.00 C ATOM 901 O ASP A 61 -7.824 -1.363 12.342 1.00 0.00 O ATOM 902 CB ASP A 61 -8.346 -0.208 15.148 1.00 0.00 C ATOM 903 CG ASP A 61 -8.327 0.816 16.267 1.00 0.00 C ATOM 904 OD1 ASP A 61 -8.632 1.996 15.996 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.008 0.436 17.412 1.00 0.00 O ATOM 0 H ASP A 61 -7.851 1.292 12.947 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.211 -0.199 14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.227 -0.046 14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.436 -1.207 15.575 1.00 0.00 H new ATOM 910 N GLU A 62 -6.189 -2.286 13.584 1.00 0.00 N ATOM 911 CA GLU A 62 -6.064 -3.467 12.739 1.00 0.00 C ATOM 912 C GLU A 62 -7.436 -4.056 12.421 1.00 0.00 C ATOM 913 O GLU A 62 -7.750 -4.332 11.264 1.00 0.00 O ATOM 914 CB GLU A 62 -5.191 -4.521 13.424 1.00 0.00 C ATOM 915 CG GLU A 62 -5.751 -5.008 14.750 1.00 0.00 C ATOM 916 CD GLU A 62 -4.710 -5.710 15.600 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.532 -5.299 15.556 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.075 -6.670 16.310 1.00 0.00 O ATOM 0 H GLU A 62 -5.555 -2.270 14.383 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.591 -3.165 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.072 -5.373 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.197 -4.105 13.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.155 -4.160 15.303 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.581 -5.690 14.562 1.00 0.00 H new ATOM 925 N GLN A 63 -8.246 -4.247 13.457 1.00 0.00 N ATOM 926 CA GLN A 63 -9.583 -4.804 13.289 1.00 0.00 C ATOM 927 C GLN A 63 -10.314 -4.125 12.135 1.00 0.00 C ATOM 928 O GLN A 63 -11.100 -4.756 11.429 1.00 0.00 O ATOM 929 CB GLN A 63 -10.389 -4.651 14.580 1.00 0.00 C ATOM 930 CG GLN A 63 -10.564 -3.206 15.020 1.00 0.00 C ATOM 931 CD GLN A 63 -11.793 -3.004 15.884 1.00 0.00 C ATOM 932 OE1 GLN A 63 -12.006 -3.725 16.859 1.00 0.00 O ATOM 933 NE2 GLN A 63 -12.610 -2.020 15.530 1.00 0.00 N ATOM 0 H GLN A 63 -8.000 -4.024 14.421 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.481 -5.864 13.057 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -11.372 -5.101 14.441 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.894 -5.207 15.376 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.680 -2.889 15.573 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.635 -2.568 14.139 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.395 -1.447 14.714 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.453 -1.837 16.074 1.00 0.00 H new ATOM 942 N ASN A 64 -10.050 -2.836 11.950 1.00 0.00 N ATOM 943 CA ASN A 64 -10.683 -2.071 10.882 1.00 0.00 C ATOM 944 C ASN A 64 -10.084 -2.430 9.526 1.00 0.00 C ATOM 945 O ASN A 64 -8.936 -2.094 9.234 1.00 0.00 O ATOM 946 CB ASN A 64 -10.529 -0.571 11.140 1.00 0.00 C ATOM 947 CG ASN A 64 -11.065 -0.159 12.498 1.00 0.00 C ATOM 948 OD1 ASN A 64 -11.929 -0.828 13.065 1.00 0.00 O ATOM 949 ND2 ASN A 64 -10.554 0.947 13.025 1.00 0.00 N ATOM 0 H ASN A 64 -9.402 -2.299 12.526 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.743 -2.323 10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.476 -0.300 11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.053 -0.016 10.362 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.876 1.274 13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.839 1.470 12.519 1.00 0.00 H new ATOM 956 N VAL A 65 -10.869 -3.115 8.701 1.00 0.00 N ATOM 957 CA VAL A 65 -10.416 -3.518 7.374 1.00 0.00 C ATOM 958 C VAL A 65 -10.962 -2.584 6.300 1.00 0.00 C ATOM 959 O VAL A 65 -10.211 -1.836 5.676 1.00 0.00 O ATOM 960 CB VAL A 65 -10.845 -4.962 7.050 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.596 -5.276 5.583 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.114 -5.949 7.947 1.00 0.00 C ATOM 0 H VAL A 65 -11.821 -3.403 8.927 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.327 -3.463 7.380 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.914 -5.057 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.905 -6.300 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.170 -4.589 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.534 -5.165 5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.429 -6.964 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.039 -5.856 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.349 -5.736 8.990 1.00 0.00 H new ATOM 972 N GLU A 66 -12.274 -2.634 6.091 1.00 0.00 N ATOM 973 CA GLU A 66 -12.920 -1.791 5.091 1.00 0.00 C ATOM 974 C GLU A 66 -12.584 -0.320 5.320 1.00 0.00 C ATOM 975 O GLU A 66 -12.416 0.445 4.371 1.00 0.00 O ATOM 976 CB GLU A 66 -14.436 -1.991 5.127 1.00 0.00 C ATOM 977 CG GLU A 66 -15.206 -0.945 4.338 1.00 0.00 C ATOM 978 CD GLU A 66 -15.454 0.321 5.135 1.00 0.00 C ATOM 979 OE1 GLU A 66 -15.575 0.229 6.374 1.00 0.00 O ATOM 980 OE2 GLU A 66 -15.527 1.405 4.518 1.00 0.00 O ATOM 0 H GLU A 66 -12.910 -3.248 6.600 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.545 -2.082 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.673 -2.979 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.772 -1.972 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.652 -0.697 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.161 -1.364 4.022 1.00 0.00 H new ATOM 987 N LYS A 67 -12.487 0.068 6.587 1.00 0.00 N ATOM 988 CA LYS A 67 -12.171 1.446 6.943 1.00 0.00 C ATOM 989 C LYS A 67 -10.756 1.810 6.506 1.00 0.00 C ATOM 990 O LYS A 67 -10.562 2.685 5.663 1.00 0.00 O ATOM 991 CB LYS A 67 -12.318 1.651 8.453 1.00 0.00 C ATOM 992 CG LYS A 67 -13.288 0.682 9.106 1.00 0.00 C ATOM 993 CD LYS A 67 -13.878 1.260 10.382 1.00 0.00 C ATOM 994 CE LYS A 67 -14.690 0.221 11.141 1.00 0.00 C ATOM 995 NZ LYS A 67 -15.340 0.800 12.349 1.00 0.00 N ATOM 0 H LYS A 67 -12.623 -0.553 7.385 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.872 2.099 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.340 1.545 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.654 2.671 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.091 0.443 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.774 -0.252 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.076 1.633 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.513 2.112 10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.452 -0.196 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.040 -0.602 11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.884 0.061 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.611 1.175 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.980 1.569 12.064 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.769 1.131 7.083 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.372 1.383 6.751 1.00 0.00 C ATOM 1011 C ASN A 68 -8.204 1.632 5.255 1.00 0.00 C ATOM 1012 O ASN A 68 -7.318 2.374 4.835 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.502 0.200 7.183 1.00 0.00 C ATOM 1014 CG ASN A 68 -6.984 0.351 8.601 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.828 0.717 8.815 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.840 0.069 9.576 1.00 0.00 N ATOM 0 H ASN A 68 -9.911 0.402 7.782 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.053 2.276 7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.081 -0.720 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.659 0.104 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.549 0.152 10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.789 -0.231 9.351 1.00 0.00 H new ATOM 1023 N ASN A 69 -9.062 1.005 4.457 1.00 0.00 N ATOM 1024 CA ASN A 69 -9.009 1.158 3.007 1.00 0.00 C ATOM 1025 C ASN A 69 -9.746 2.420 2.567 1.00 0.00 C ATOM 1026 O ASN A 69 -9.147 3.332 1.997 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.618 -0.067 2.322 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.788 -1.319 2.533 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.703 -1.460 1.969 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.298 -2.235 3.348 1.00 0.00 N ATOM 0 H ASN A 69 -9.802 0.387 4.789 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.963 1.248 2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.624 -0.232 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.713 0.127 1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.786 -3.099 3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.201 -2.075 3.794 1.00 0.00 H new ATOM 1037 N GLN A 70 -11.047 2.463 2.835 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.865 3.612 2.466 1.00 0.00 C ATOM 1039 C GLN A 70 -11.137 4.918 2.768 1.00 0.00 C ATOM 1040 O GLN A 70 -11.276 5.902 2.040 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.200 3.575 3.210 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.160 4.678 2.794 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.764 4.440 1.425 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.982 4.687 0.381 1.00 0.00 O flip ATOM 1045 NE2 GLN A 70 -15.923 4.039 1.306 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.557 1.716 3.306 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.054 3.562 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.675 2.609 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.012 3.653 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.959 4.756 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.633 5.632 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.489 3.862 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.316 3.884 0.378 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.361 4.921 3.847 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.610 6.106 4.246 1.00 0.00 C ATOM 1056 C LEU A 71 -8.515 6.424 3.234 1.00 0.00 C ATOM 1057 O LEU A 71 -8.562 7.449 2.554 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.996 5.902 5.632 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.286 7.113 6.237 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.274 8.243 6.484 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.581 6.728 7.529 1.00 0.00 C ATOM 0 H LEU A 71 -10.236 4.116 4.461 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.301 6.948 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.786 5.591 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.283 5.080 5.574 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.536 7.462 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.750 9.096 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.733 8.538 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.047 7.906 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.081 7.603 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.312 6.353 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.844 5.952 7.324 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.529 5.537 3.138 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.424 5.721 2.206 1.00 0.00 C ATOM 1075 C ALA A 72 -6.931 6.130 0.827 1.00 0.00 C ATOM 1076 O ALA A 72 -6.547 7.173 0.298 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.597 4.448 2.110 1.00 0.00 C ATOM 0 H ALA A 72 -7.474 4.684 3.695 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.792 6.524 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.775 4.600 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.196 4.200 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.227 3.631 1.758 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.795 5.301 0.250 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.353 5.576 -1.069 1.00 0.00 C ATOM 1085 C PHE A 73 -8.803 7.030 -1.177 1.00 0.00 C ATOM 1086 O PHE A 73 -8.901 7.581 -2.273 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.533 4.644 -1.351 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.125 3.222 -1.609 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.067 2.934 -2.457 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.798 2.173 -1.004 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.690 1.626 -2.697 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.425 0.863 -1.241 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.369 0.589 -2.087 1.00 0.00 C ATOM 0 H PHE A 73 -8.124 4.434 0.675 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.573 5.399 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.217 4.669 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.083 5.018 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.531 3.741 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.624 2.381 -0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.865 1.415 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.959 0.054 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.074 -0.434 -2.271 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.076 7.646 -0.032 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.514 9.036 0.004 1.00 0.00 C ATOM 1105 C ASP A 74 -8.335 9.972 0.253 1.00 0.00 C ATOM 1106 O ASP A 74 -8.035 10.839 -0.568 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.574 9.231 1.089 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.532 10.361 0.767 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.736 10.641 -0.433 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.079 10.963 1.714 1.00 0.00 O ATOM 0 H ASP A 74 -9.002 7.204 0.884 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.949 9.279 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.137 8.306 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.083 9.435 2.040 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.672 9.790 1.390 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.527 10.618 1.746 1.00 0.00 C ATOM 1117 C ILE A 75 -5.513 10.673 0.608 1.00 0.00 C ATOM 1118 O ILE A 75 -5.056 11.749 0.222 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.828 10.096 3.015 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.813 10.052 4.185 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.630 10.969 3.357 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.364 11.410 4.562 1.00 0.00 C ATOM 0 H ILE A 75 -7.908 9.077 2.080 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.910 11.620 1.937 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.473 9.083 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.641 9.391 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.316 9.617 5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.147 10.587 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.921 10.954 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.963 11.992 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.055 11.303 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.544 12.068 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.890 11.839 3.709 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.168 9.507 0.073 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.212 9.422 -1.024 1.00 0.00 C ATOM 1136 C ALA A 76 -4.528 10.447 -2.108 1.00 0.00 C ATOM 1137 O ALA A 76 -3.819 11.440 -2.261 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.202 8.018 -1.609 1.00 0.00 C ATOM 0 H ALA A 76 -5.537 8.607 0.382 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.221 9.645 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.483 7.970 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.920 7.304 -0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.196 7.773 -1.984 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.597 10.198 -2.858 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.005 11.099 -3.929 1.00 0.00 C ATOM 1146 C GLU A 77 -6.159 12.526 -3.410 1.00 0.00 C ATOM 1147 O GLU A 77 -5.689 13.479 -4.031 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.321 10.626 -4.550 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.574 11.185 -5.940 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.314 12.509 -5.910 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.363 12.586 -5.237 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -7.844 13.466 -6.560 1.00 0.00 O ATOM 0 H GLU A 77 -6.196 9.380 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.227 11.090 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.318 9.537 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.145 10.913 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.622 11.317 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.151 10.463 -6.518 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.822 12.665 -2.267 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.039 13.974 -1.662 1.00 0.00 C ATOM 1161 C LYS A 78 -5.774 14.823 -1.735 1.00 0.00 C ATOM 1162 O LYS A 78 -5.796 15.942 -2.248 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.478 13.819 -0.204 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.952 13.491 -0.045 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.794 14.751 0.073 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.920 15.464 -1.265 1.00 0.00 C ATOM 1167 NZ LYS A 78 -8.808 16.429 -1.486 1.00 0.00 N ATOM 0 H LYS A 78 -7.219 11.887 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.827 14.478 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.887 13.031 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.260 14.742 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.290 12.905 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.095 12.873 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.786 14.494 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.345 15.423 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.928 14.728 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.873 15.992 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.169 17.400 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.066 16.272 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.411 16.289 -2.437 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.673 14.284 -1.221 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.399 14.993 -1.229 1.00 0.00 C ATOM 1183 C GLU A 79 -2.472 14.434 -2.304 1.00 0.00 C ATOM 1184 O GLU A 79 -2.114 15.131 -3.255 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.726 14.895 0.141 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.542 15.510 1.266 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.257 16.988 1.453 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.881 17.650 0.463 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -3.410 17.482 2.590 1.00 0.00 O ATOM 0 H GLU A 79 -4.638 13.358 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.598 16.041 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.539 13.846 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.755 15.389 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.603 15.372 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.328 14.982 2.195 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.087 13.172 -2.147 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.201 12.518 -3.104 1.00 0.00 C ATOM 1198 C LEU A 80 -1.725 12.676 -4.528 1.00 0.00 C ATOM 1199 O LEU A 80 -0.990 13.078 -5.429 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.058 11.034 -2.763 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.788 10.705 -1.294 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.483 9.225 -1.126 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.357 11.552 -0.760 1.00 0.00 C ATOM 0 H LEU A 80 -2.374 12.582 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.223 12.995 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.971 10.522 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.247 10.621 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.684 10.937 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.294 9.010 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.334 8.637 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.398 8.966 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.535 11.305 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.259 11.352 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.099 12.608 -0.844 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.002 12.360 -4.722 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.603 12.476 -6.038 1.00 0.00 C ATOM 1217 C GLY A 81 -3.838 11.127 -6.689 1.00 0.00 C ATOM 1218 O GLY A 81 -4.409 11.047 -7.777 1.00 0.00 O ATOM 0 H GLY A 81 -3.631 12.026 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.552 13.006 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.957 13.077 -6.678 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.398 10.066 -6.022 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.564 8.714 -6.543 1.00 0.00 C ATOM 1224 C ILE A 82 -5.020 8.270 -6.465 1.00 0.00 C ATOM 1225 O ILE A 82 -5.506 7.886 -5.401 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.689 7.704 -5.777 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.209 8.069 -5.917 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.942 6.293 -6.284 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.289 7.178 -5.113 1.00 0.00 C ATOM 0 H ILE A 82 -2.924 10.116 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.249 8.737 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.955 7.743 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.927 8.014 -6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.067 9.103 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.316 5.591 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.991 6.036 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.700 6.239 -7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.744 7.494 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.544 7.251 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.403 6.145 -5.443 1.00 0.00 H new ATOM 1241 N SER A 83 -5.711 8.324 -7.599 1.00 0.00 N ATOM 1242 CA SER A 83 -7.114 7.928 -7.659 1.00 0.00 C ATOM 1243 C SER A 83 -7.273 6.442 -7.354 1.00 0.00 C ATOM 1244 O SER A 83 -6.570 5.592 -7.900 1.00 0.00 O ATOM 1245 CB SER A 83 -7.695 8.243 -9.038 1.00 0.00 C ATOM 1246 OG SER A 83 -8.826 7.434 -9.311 1.00 0.00 O ATOM 0 H SER A 83 -5.323 8.638 -8.489 1.00 0.00 H new ATOM 0 HA SER A 83 -7.659 8.495 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.976 9.295 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.935 8.081 -9.802 1.00 0.00 H new ATOM 0 HG SER A 83 -9.180 7.655 -10.198 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.220 6.120 -6.460 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.495 4.737 -6.062 1.00 0.00 C ATOM 1254 C PRO A 84 -9.140 3.928 -7.183 1.00 0.00 C ATOM 1255 O PRO A 84 -9.867 4.472 -8.014 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.465 4.892 -4.888 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.127 6.207 -5.115 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.095 7.083 -5.770 1.00 0.00 C ATOM 0 HA PRO A 84 -7.583 4.196 -5.810 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.193 4.081 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.938 4.873 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.006 6.097 -5.751 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.466 6.640 -4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.549 7.786 -6.469 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.545 7.673 -5.037 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.868 2.628 -7.199 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.424 1.745 -8.217 1.00 0.00 C ATOM 1268 C ILE A 85 -10.670 1.030 -7.705 1.00 0.00 C ATOM 1269 O ILE A 85 -11.542 0.647 -8.484 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.394 0.694 -8.673 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.662 0.107 -7.465 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.405 1.311 -9.651 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.155 -1.300 -7.690 1.00 0.00 C ATOM 0 H ILE A 85 -8.266 2.163 -6.519 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.692 2.373 -9.067 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.921 -0.113 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.820 0.752 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.334 0.109 -6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.684 0.556 -9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.941 1.685 -10.523 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.881 2.135 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.647 -1.652 -6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.995 -1.958 -7.913 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.457 -1.306 -8.527 1.00 0.00 H new ATOM 1285 N MET A 86 -10.747 0.857 -6.389 1.00 0.00 N ATOM 1286 CA MET A 86 -11.889 0.191 -5.772 1.00 0.00 C ATOM 1287 C MET A 86 -12.357 0.950 -4.535 1.00 0.00 C ATOM 1288 O MET A 86 -11.849 2.028 -4.225 1.00 0.00 O ATOM 1289 CB MET A 86 -11.526 -1.247 -5.396 1.00 0.00 C ATOM 1290 CG MET A 86 -10.903 -2.034 -6.538 1.00 0.00 C ATOM 1291 SD MET A 86 -10.586 -3.755 -6.102 1.00 0.00 S ATOM 1292 CE MET A 86 -9.052 -3.596 -5.191 1.00 0.00 C ATOM 0 H MET A 86 -10.033 1.168 -5.730 1.00 0.00 H new ATOM 0 HA MET A 86 -12.703 0.175 -6.496 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.832 -1.230 -4.556 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.424 -1.763 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.565 -1.998 -7.403 1.00 0.00 H new ATOM 0 HG3 MET A 86 -9.967 -1.560 -6.833 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.726 -4.580 -4.853 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.289 -3.162 -5.837 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.207 -2.949 -4.328 1.00 0.00 H new ATOM 1302 N THR A 87 -13.329 0.380 -3.829 1.00 0.00 N ATOM 1303 CA THR A 87 -13.866 1.004 -2.626 1.00 0.00 C ATOM 1304 C THR A 87 -13.580 0.156 -1.392 1.00 0.00 C ATOM 1305 O THR A 87 -13.544 -1.072 -1.465 1.00 0.00 O ATOM 1306 CB THR A 87 -15.386 1.226 -2.740 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.035 0.003 -3.106 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.700 2.300 -3.771 1.00 0.00 C ATOM 0 H THR A 87 -13.760 -0.513 -4.070 1.00 0.00 H new ATOM 0 HA THR A 87 -13.371 1.970 -2.523 1.00 0.00 H new ATOM 0 HB THR A 87 -15.756 1.556 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 87 -17.001 0.153 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.779 2.439 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.230 3.238 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.316 1.994 -4.744 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.376 0.819 -0.258 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.095 0.109 0.976 1.00 0.00 C ATOM 1318 C GLY A 88 -14.008 -1.084 1.179 1.00 0.00 C ATOM 1319 O GLY A 88 -13.554 -2.168 1.546 1.00 0.00 O ATOM 0 H GLY A 88 -13.400 1.835 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.058 -0.228 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.203 0.793 1.818 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.300 -0.885 0.942 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.281 -1.953 1.102 1.00 0.00 C ATOM 1325 C LYS A 89 -16.051 -3.060 0.078 1.00 0.00 C ATOM 1326 O LYS A 89 -16.132 -4.244 0.402 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.699 -1.396 0.957 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.736 -2.156 1.767 1.00 0.00 C ATOM 1329 CD LYS A 89 -18.968 -3.550 1.209 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.175 -4.214 1.852 1.00 0.00 C ATOM 1331 NZ LYS A 89 -20.676 -5.359 1.042 1.00 0.00 N ATOM 0 H LYS A 89 -15.693 0.006 0.638 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.163 -2.375 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.703 -0.351 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.984 -1.419 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.407 -2.228 2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.675 -1.603 1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.115 -3.491 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.082 -4.162 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.908 -4.564 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.971 -3.480 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.499 -5.785 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.954 -5.021 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.925 -6.072 0.947 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.762 -2.666 -1.159 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.519 -3.626 -2.229 1.00 0.00 C ATOM 1347 C GLU A 90 -14.244 -4.422 -1.967 1.00 0.00 C ATOM 1348 O GLU A 90 -14.095 -5.548 -2.441 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.417 -2.907 -3.576 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.762 -2.653 -4.234 1.00 0.00 C ATOM 1351 CD GLU A 90 -17.355 -3.905 -4.852 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.782 -4.405 -5.842 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -18.392 -4.383 -4.346 1.00 0.00 O ATOM 0 H GLU A 90 -15.691 -1.689 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.360 -4.319 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.907 -1.955 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.799 -3.501 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.455 -2.255 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.647 -1.891 -5.005 1.00 0.00 H new ATOM 1360 N MET A 91 -13.328 -3.829 -1.209 1.00 0.00 N ATOM 1361 CA MET A 91 -12.066 -4.483 -0.883 1.00 0.00 C ATOM 1362 C MET A 91 -12.258 -5.512 0.227 1.00 0.00 C ATOM 1363 O MET A 91 -11.615 -6.562 0.230 1.00 0.00 O ATOM 1364 CB MET A 91 -11.025 -3.446 -0.458 1.00 0.00 C ATOM 1365 CG MET A 91 -9.660 -4.043 -0.156 1.00 0.00 C ATOM 1366 SD MET A 91 -8.800 -4.598 -1.640 1.00 0.00 S ATOM 1367 CE MET A 91 -7.588 -3.294 -1.836 1.00 0.00 C ATOM 0 H MET A 91 -13.436 -2.897 -0.809 1.00 0.00 H new ATOM 0 HA MET A 91 -11.711 -4.999 -1.775 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.921 -2.703 -1.249 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.387 -2.922 0.426 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.049 -3.301 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.779 -4.885 0.526 1.00 0.00 H new ATOM 0 HE1 MET A 91 -7.370 -3.156 -2.895 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.982 -2.366 -1.423 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.673 -3.565 -1.309 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.145 -5.204 1.167 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.422 -6.103 2.281 1.00 0.00 C ATOM 1379 C ALA A 92 -14.433 -7.173 1.883 1.00 0.00 C ATOM 1380 O ALA A 92 -14.531 -8.217 2.528 1.00 0.00 O ATOM 1381 CB ALA A 92 -13.927 -5.316 3.481 1.00 0.00 C ATOM 0 H ALA A 92 -13.684 -4.338 1.180 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.492 -6.602 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.130 -6.000 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.170 -4.593 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -14.843 -4.790 3.212 1.00 0.00 H new ATOM 1387 N SER A 93 -15.183 -6.906 0.819 1.00 0.00 N ATOM 1388 CA SER A 93 -16.190 -7.845 0.339 1.00 0.00 C ATOM 1389 C SER A 93 -15.580 -8.842 -0.642 1.00 0.00 C ATOM 1390 O SER A 93 -15.795 -10.049 -0.533 1.00 0.00 O ATOM 1391 CB SER A 93 -17.341 -7.093 -0.331 1.00 0.00 C ATOM 1392 OG SER A 93 -18.546 -7.835 -0.258 1.00 0.00 O ATOM 0 H SER A 93 -15.112 -6.047 0.273 1.00 0.00 H new ATOM 0 HA SER A 93 -16.576 -8.396 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.477 -6.125 0.151 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.093 -6.897 -1.374 1.00 0.00 H new ATOM 0 HG SER A 93 -19.267 -7.332 -0.692 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.817 -8.327 -1.601 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.174 -9.170 -2.602 1.00 0.00 C ATOM 1400 C VAL A 94 -13.335 -10.260 -1.945 1.00 0.00 C ATOM 1401 O VAL A 94 -12.881 -10.111 -0.812 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.275 -8.342 -3.540 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.044 -7.844 -2.799 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.879 -9.162 -4.759 1.00 0.00 C ATOM 0 H VAL A 94 -14.629 -7.330 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.970 -9.630 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.839 -7.474 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.421 -7.261 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.352 -7.218 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.475 -8.695 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.244 -8.562 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.334 -10.050 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.775 -9.463 -5.302 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.133 -11.359 -2.666 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.349 -12.460 -2.137 1.00 0.00 C ATOM 1416 C GLY A 95 -10.859 -12.250 -2.319 1.00 0.00 C ATOM 1417 O GLY A 95 -10.075 -12.497 -1.403 1.00 0.00 O ATOM 0 H GLY A 95 -13.498 -11.506 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.569 -12.582 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.646 -13.384 -2.632 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.467 -11.794 -3.505 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.060 -11.554 -3.804 1.00 0.00 C ATOM 1423 C GLU A 96 -8.910 -10.532 -4.927 1.00 0.00 C ATOM 1424 O GLU A 96 -9.575 -10.605 -5.960 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.368 -12.862 -4.193 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.854 -12.755 -4.251 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.227 -13.818 -5.133 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.486 -13.802 -6.355 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.480 -14.665 -4.602 1.00 0.00 O ATOM 0 H GLU A 96 -11.104 -11.584 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.587 -11.155 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.642 -13.636 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.739 -13.184 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.577 -11.769 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.449 -12.839 -3.243 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.013 -9.556 -4.722 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.753 -8.500 -5.705 1.00 0.00 C ATOM 1438 C PRO A 97 -7.041 -9.027 -6.946 1.00 0.00 C ATOM 1439 O PRO A 97 -6.693 -10.205 -7.021 1.00 0.00 O ATOM 1440 CB PRO A 97 -6.853 -7.522 -4.946 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.186 -8.352 -3.904 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.184 -9.407 -3.514 1.00 0.00 C ATOM 0 HA PRO A 97 -8.675 -8.051 -6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.123 -7.059 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.434 -6.716 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.272 -8.803 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.903 -7.745 -3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.695 -10.343 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.779 -9.099 -2.654 1.00 0.00 H new ATOM 1450 N ASP A 98 -6.827 -8.147 -7.918 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.155 -8.523 -9.156 1.00 0.00 C ATOM 1452 C ASP A 98 -4.682 -8.127 -9.116 1.00 0.00 C ATOM 1453 O ASP A 98 -4.347 -6.943 -9.077 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.841 -7.865 -10.354 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.347 -8.415 -11.678 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.767 -9.522 -11.682 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -6.541 -7.740 -12.710 1.00 0.00 O ATOM 0 H ASP A 98 -7.109 -7.168 -7.872 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.219 -9.606 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.918 -8.016 -10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.667 -6.789 -10.323 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.806 -9.126 -9.126 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.368 -8.883 -9.091 1.00 0.00 C ATOM 1464 C LYS A 99 -2.009 -7.627 -9.877 1.00 0.00 C ATOM 1465 O LYS A 99 -1.307 -6.747 -9.375 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.614 -10.087 -9.660 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.106 -9.987 -9.508 1.00 0.00 C ATOM 1468 CD LYS A 99 0.348 -10.450 -8.134 1.00 0.00 C ATOM 1469 CE LYS A 99 1.766 -11.000 -8.172 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.335 -11.159 -6.805 1.00 0.00 N ATOM 0 H LYS A 99 -4.066 -10.112 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.074 -8.735 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.962 -10.992 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.858 -10.192 -10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.379 -10.591 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.209 -8.956 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.298 -9.617 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.332 -11.218 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.768 -11.964 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.400 -10.331 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.343 -10.901 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.826 -10.539 -6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.234 -12.148 -6.500 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.496 -7.547 -11.111 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.228 -6.396 -11.966 1.00 0.00 C ATOM 1486 C LEU A 100 -2.702 -5.105 -11.307 1.00 0.00 C ATOM 1487 O LEU A 100 -1.896 -4.310 -10.823 1.00 0.00 O ATOM 1488 CB LEU A 100 -2.914 -6.572 -13.322 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.397 -7.718 -14.192 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.426 -8.094 -15.246 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.076 -7.338 -14.845 1.00 0.00 C ATOM 0 H LEU A 100 -3.078 -8.265 -11.541 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.150 -6.330 -12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.980 -6.725 -13.150 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.811 -5.642 -13.882 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.228 -8.585 -13.554 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.040 -8.911 -15.856 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.348 -8.409 -14.758 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.628 -7.232 -15.881 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.723 -8.166 -15.460 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.219 -6.456 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.338 -7.119 -14.073 1.00 0.00 H new ATOM 1503 N SER A 101 -4.016 -4.904 -11.290 1.00 0.00 N ATOM 1504 CA SER A 101 -4.599 -3.708 -10.692 1.00 0.00 C ATOM 1505 C SER A 101 -3.844 -3.312 -9.426 1.00 0.00 C ATOM 1506 O SER A 101 -3.531 -2.140 -9.219 1.00 0.00 O ATOM 1507 CB SER A 101 -6.075 -3.943 -10.366 1.00 0.00 C ATOM 1508 OG SER A 101 -6.776 -2.716 -10.261 1.00 0.00 O ATOM 0 H SER A 101 -4.697 -5.554 -11.683 1.00 0.00 H new ATOM 0 HA SER A 101 -4.519 -2.894 -11.413 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.528 -4.559 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.160 -4.495 -9.430 1.00 0.00 H new ATOM 0 HG SER A 101 -7.717 -2.894 -10.054 1.00 0.00 H new ATOM 1514 N MET A 102 -3.556 -4.297 -8.583 1.00 0.00 N ATOM 1515 CA MET A 102 -2.838 -4.052 -7.338 1.00 0.00 C ATOM 1516 C MET A 102 -1.450 -3.482 -7.615 1.00 0.00 C ATOM 1517 O MET A 102 -1.141 -2.357 -7.224 1.00 0.00 O ATOM 1518 CB MET A 102 -2.719 -5.345 -6.529 1.00 0.00 C ATOM 1519 CG MET A 102 -4.049 -5.854 -5.997 1.00 0.00 C ATOM 1520 SD MET A 102 -4.933 -4.611 -5.036 1.00 0.00 S ATOM 1521 CE MET A 102 -3.783 -4.343 -3.689 1.00 0.00 C ATOM 0 H MET A 102 -3.809 -5.273 -8.739 1.00 0.00 H new ATOM 0 HA MET A 102 -3.403 -3.321 -6.759 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.269 -6.115 -7.155 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.042 -5.179 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.672 -6.173 -6.833 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.875 -6.732 -5.376 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.260 -3.736 -2.919 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.489 -5.303 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.899 -3.826 -4.063 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.617 -4.267 -8.291 1.00 0.00 N ATOM 1532 CA VAL A 103 0.738 -3.840 -8.620 1.00 0.00 C ATOM 1533 C VAL A 103 0.739 -2.448 -9.243 1.00 0.00 C ATOM 1534 O VAL A 103 1.484 -1.567 -8.815 1.00 0.00 O ATOM 1535 CB VAL A 103 1.417 -4.825 -9.590 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.733 -4.255 -10.097 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.634 -6.171 -8.916 1.00 0.00 C ATOM 0 H VAL A 103 -0.857 -5.202 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 103 1.299 -3.817 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 103 0.760 -4.975 -10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.198 -4.965 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.546 -3.317 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.400 -4.074 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.115 -6.855 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.270 -6.041 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.673 -6.583 -8.608 1.00 0.00 H new ATOM 1547 N MET A 104 -0.100 -2.259 -10.256 1.00 0.00 N ATOM 1548 CA MET A 104 -0.197 -0.973 -10.937 1.00 0.00 C ATOM 1549 C MET A 104 -0.605 0.129 -9.964 1.00 0.00 C ATOM 1550 O MET A 104 0.212 0.966 -9.581 1.00 0.00 O ATOM 1551 CB MET A 104 -1.205 -1.054 -12.085 1.00 0.00 C ATOM 1552 CG MET A 104 -0.750 -1.943 -13.231 1.00 0.00 C ATOM 1553 SD MET A 104 -1.608 -1.580 -14.775 1.00 0.00 S ATOM 1554 CE MET A 104 -3.253 -2.179 -14.398 1.00 0.00 C ATOM 0 H MET A 104 -0.722 -2.979 -10.623 1.00 0.00 H new ATOM 0 HA MET A 104 0.785 -0.730 -11.342 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.153 -1.429 -11.699 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.391 -0.050 -12.466 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.323 -1.819 -13.378 1.00 0.00 H new ATOM 0 HG3 MET A 104 -0.916 -2.987 -12.964 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.903 -2.024 -15.259 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.208 -3.243 -14.164 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.650 -1.636 -13.541 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.873 0.122 -9.568 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.390 1.122 -8.641 1.00 0.00 C ATOM 1566 C TYR A 105 -1.348 1.476 -7.585 1.00 0.00 C ATOM 1567 O TYR A 105 -1.145 2.648 -7.263 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.664 0.612 -7.966 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.108 1.457 -6.793 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.674 2.711 -6.989 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.962 1.001 -5.489 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -5.079 3.486 -5.920 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.366 1.768 -4.414 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.923 3.010 -4.634 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.328 3.779 -3.567 1.00 0.00 O ATOM 0 H TYR A 105 -2.562 -0.565 -9.874 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.624 2.022 -9.210 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.467 0.578 -8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.500 -0.410 -7.625 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.799 3.086 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.525 0.029 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.515 4.459 -6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.246 1.397 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.016 3.299 -3.060 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.689 0.455 -7.048 1.00 0.00 N ATOM 1586 CA LEU A 106 0.334 0.656 -6.028 1.00 0.00 C ATOM 1587 C LEU A 106 1.530 1.411 -6.597 1.00 0.00 C ATOM 1588 O LEU A 106 2.036 2.351 -5.982 1.00 0.00 O ATOM 1589 CB LEU A 106 0.789 -0.690 -5.462 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.206 -1.404 -4.546 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.110 -2.890 -4.470 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.194 -0.783 -3.157 1.00 0.00 C ATOM 0 H LEU A 106 -0.845 -0.520 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.101 1.253 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.024 -1.351 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.715 -0.534 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.205 -1.286 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.608 -3.382 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.049 -3.326 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.116 -3.028 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.908 -1.304 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.805 -0.869 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.470 0.269 -3.226 1.00 0.00 H new ATOM 1604 N THR A 107 1.979 0.996 -7.778 1.00 0.00 N ATOM 1605 CA THR A 107 3.115 1.634 -8.432 1.00 0.00 C ATOM 1606 C THR A 107 3.114 3.139 -8.190 1.00 0.00 C ATOM 1607 O THR A 107 4.146 3.724 -7.861 1.00 0.00 O ATOM 1608 CB THR A 107 3.111 1.369 -9.949 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.924 -0.028 -10.202 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.413 1.834 -10.583 1.00 0.00 C ATOM 0 H THR A 107 1.573 0.220 -8.301 1.00 0.00 H new ATOM 0 HA THR A 107 4.015 1.200 -7.997 1.00 0.00 H new ATOM 0 HB THR A 107 2.289 1.931 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.668 -0.480 -9.371 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.387 1.636 -11.655 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.538 2.904 -10.414 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.248 1.296 -10.135 1.00 0.00 H new ATOM 1618 N GLN A 108 1.950 3.760 -8.355 1.00 0.00 N ATOM 1619 CA GLN A 108 1.817 5.198 -8.155 1.00 0.00 C ATOM 1620 C GLN A 108 2.498 5.632 -6.861 1.00 0.00 C ATOM 1621 O GLN A 108 3.311 6.557 -6.856 1.00 0.00 O ATOM 1622 CB GLN A 108 0.341 5.595 -8.126 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.404 5.264 -9.410 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.765 5.927 -9.483 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.809 5.174 -9.156 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -1.878 7.103 -9.829 1.00 0.00 N flip ATOM 0 H GLN A 108 1.086 3.290 -8.626 1.00 0.00 H new ATOM 0 HA GLN A 108 2.305 5.703 -8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.146 5.089 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.265 6.666 -7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.195 5.578 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.526 4.184 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.049 7.645 -10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.801 7.535 -9.873 1.00 0.00 H new ATOM 1635 N PHE A 109 2.161 4.960 -5.766 1.00 0.00 N ATOM 1636 CA PHE A 109 2.739 5.277 -4.465 1.00 0.00 C ATOM 1637 C PHE A 109 4.256 5.116 -4.490 1.00 0.00 C ATOM 1638 O PHE A 109 4.993 5.998 -4.049 1.00 0.00 O ATOM 1639 CB PHE A 109 2.137 4.379 -3.383 1.00 0.00 C ATOM 1640 CG PHE A 109 0.687 4.661 -3.108 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.301 4.143 -3.931 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.312 5.443 -2.028 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.635 4.401 -3.681 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.021 5.704 -1.773 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.996 5.181 -2.600 1.00 0.00 C ATOM 0 H PHE A 109 1.490 4.192 -5.753 1.00 0.00 H new ATOM 0 HA PHE A 109 2.505 6.317 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.245 3.337 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.705 4.504 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.025 3.531 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.070 5.854 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.395 3.993 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.300 6.316 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.038 5.382 -2.402 1.00 0.00 H new ATOM 1655 N TYR A 110 4.716 3.982 -5.008 1.00 0.00 N ATOM 1656 CA TYR A 110 6.144 3.702 -5.088 1.00 0.00 C ATOM 1657 C TYR A 110 6.868 4.785 -5.883 1.00 0.00 C ATOM 1658 O TYR A 110 7.689 5.523 -5.341 1.00 0.00 O ATOM 1659 CB TYR A 110 6.382 2.335 -5.733 1.00 0.00 C ATOM 1660 CG TYR A 110 7.711 2.225 -6.446 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.878 1.954 -5.744 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.798 2.392 -7.823 1.00 0.00 C ATOM 1663 CE1 TYR A 110 10.094 1.853 -6.391 1.00 0.00 C ATOM 1664 CE2 TYR A 110 9.010 2.292 -8.479 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.155 2.023 -7.759 1.00 0.00 C ATOM 1666 OH TYR A 110 11.364 1.922 -8.408 1.00 0.00 O ATOM 0 H TYR A 110 4.120 3.242 -5.379 1.00 0.00 H new ATOM 0 HA TYR A 110 6.544 3.692 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.327 1.565 -4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.580 2.133 -6.443 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.834 1.820 -4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.903 2.603 -8.390 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.992 1.642 -5.829 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.060 2.424 -9.550 1.00 0.00 H new ATOM 0 HH TYR A 110 11.233 2.067 -9.368 1.00 0.00 H new ATOM 1676 N GLU A 111 6.555 4.872 -7.172 1.00 0.00 N ATOM 1677 CA GLU A 111 7.175 5.864 -8.043 1.00 0.00 C ATOM 1678 C GLU A 111 7.140 7.248 -7.402 1.00 0.00 C ATOM 1679 O GLU A 111 8.007 8.084 -7.657 1.00 0.00 O ATOM 1680 CB GLU A 111 6.466 5.900 -9.398 1.00 0.00 C ATOM 1681 CG GLU A 111 6.852 4.753 -10.318 1.00 0.00 C ATOM 1682 CD GLU A 111 6.326 4.934 -11.729 1.00 0.00 C ATOM 1683 OE1 GLU A 111 5.099 4.809 -11.925 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.142 5.201 -12.636 1.00 0.00 O ATOM 0 H GLU A 111 5.876 4.268 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 111 8.216 5.578 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.388 5.877 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.694 6.844 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.938 4.666 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.468 3.819 -9.908 1.00 0.00 H new ATOM 1691 N MET A 112 6.132 7.482 -6.568 1.00 0.00 N ATOM 1692 CA MET A 112 5.985 8.765 -5.889 1.00 0.00 C ATOM 1693 C MET A 112 7.007 8.907 -4.767 1.00 0.00 C ATOM 1694 O MET A 112 7.522 9.997 -4.517 1.00 0.00 O ATOM 1695 CB MET A 112 4.569 8.908 -5.327 1.00 0.00 C ATOM 1696 CG MET A 112 4.313 10.250 -4.660 1.00 0.00 C ATOM 1697 SD MET A 112 3.689 11.490 -5.811 1.00 0.00 S ATOM 1698 CE MET A 112 1.927 11.186 -5.714 1.00 0.00 C ATOM 0 H MET A 112 5.406 6.801 -6.346 1.00 0.00 H new ATOM 0 HA MET A 112 6.161 9.556 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.851 8.770 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.392 8.112 -4.604 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.595 10.118 -3.850 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.238 10.610 -4.210 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.402 11.877 -6.373 1.00 0.00 H new ATOM 0 HE2 MET A 112 1.717 10.162 -6.021 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.588 11.334 -4.689 1.00 0.00 H new ATOM 1708 N PHE A 113 7.297 7.799 -4.092 1.00 0.00 N ATOM 1709 CA PHE A 113 8.257 7.800 -2.995 1.00 0.00 C ATOM 1710 C PHE A 113 9.504 7.001 -3.362 1.00 0.00 C ATOM 1711 O PHE A 113 10.276 6.598 -2.492 1.00 0.00 O ATOM 1712 CB PHE A 113 7.620 7.220 -1.731 1.00 0.00 C ATOM 1713 CG PHE A 113 6.377 7.944 -1.299 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.381 9.321 -1.142 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.205 7.249 -1.052 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.239 9.990 -0.744 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.059 7.913 -0.654 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.076 9.285 -0.501 1.00 0.00 C ATOM 0 H PHE A 113 6.880 6.889 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 113 8.551 8.832 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.378 6.171 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.348 7.250 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.287 9.878 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.186 6.176 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.256 11.063 -0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.152 7.359 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.182 9.806 -0.192 1.00 0.00 H new ATOM 1728 N LYS A 114 9.694 6.775 -4.658 1.00 0.00 N ATOM 1729 CA LYS A 114 10.847 6.025 -5.143 1.00 0.00 C ATOM 1730 C LYS A 114 12.146 6.756 -4.822 1.00 0.00 C ATOM 1731 O LYS A 114 13.113 6.150 -4.361 1.00 0.00 O ATOM 1732 CB LYS A 114 10.736 5.801 -6.653 1.00 0.00 C ATOM 1733 CG LYS A 114 11.034 7.041 -7.476 1.00 0.00 C ATOM 1734 CD LYS A 114 10.921 6.763 -8.966 1.00 0.00 C ATOM 1735 CE LYS A 114 10.863 8.052 -9.771 1.00 0.00 C ATOM 1736 NZ LYS A 114 10.757 7.789 -11.233 1.00 0.00 N ATOM 0 H LYS A 114 9.064 7.101 -5.391 1.00 0.00 H new ATOM 0 HA LYS A 114 10.860 5.059 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.424 5.007 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.730 5.453 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.342 7.837 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.038 7.398 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.774 6.168 -9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.026 6.171 -9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.008 8.645 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.756 8.645 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 10.720 8.693 -11.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.585 7.245 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.892 7.245 -11.426 1.00 0.00 H new