USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 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 65 GLN : amide:sc= -0.967 K(o=-1.2,f=0.087!) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -0.195 USER MOD Set 2.1: A 57 CYS SG : rot -14:sc= -3.56 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -8.68! C(o=-12!,f=-12!) USER MOD Set 3.1: A 54 SER OG : rot 175:sc= 0.357 USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0.032 USER MOD Set 3.3: A 90 GLN : amide:sc= -5.57! C(o=-5.2!,f=-14!) USER MOD Set 4.1: A 29 TYR OH : rot -70:sc= -6.18! USER MOD Set 4.2: A 81 THR OG1 : rot 104:sc= 1.06 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0278) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.9) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc=-0.00118 (180deg=-0.201) USER MOD Single : A 33 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 THR OG1 : rot -62:sc= 0.865 USER MOD Single : A 59 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.44) USER MOD Single : A 70 THR OG1 : rot -48:sc= 1.08 USER MOD Single : A 72 SER OG : rot 180:sc= 0.423 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -11.6! C(o=-12!,f=-9.7!) USER MOD Single : A 87 CYS SG : rot 180:sc= -2.02! USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -162:sc= 0.545 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -147:sc= -0.158 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 94 N SER A 6 -6.045 6.817 -3.598 1.00 0.00 N ATOM 95 CA SER A 6 -6.124 6.387 -4.983 1.00 0.00 C ATOM 96 C SER A 6 -5.367 5.069 -5.165 1.00 0.00 C ATOM 97 O SER A 6 -4.535 4.946 -6.062 1.00 0.00 O ATOM 98 CB SER A 6 -5.562 7.455 -5.924 1.00 0.00 C ATOM 99 OG SER A 6 -6.585 8.305 -6.438 1.00 0.00 O ATOM 0 HA SER A 6 -7.174 6.235 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.825 8.056 -5.391 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.042 6.972 -6.751 1.00 0.00 H new ATOM 0 HG SER A 6 -6.186 8.974 -7.033 1.00 0.00 H new ATOM 105 N VAL A 7 -5.685 4.117 -4.300 1.00 0.00 N ATOM 106 CA VAL A 7 -5.047 2.814 -4.354 1.00 0.00 C ATOM 107 C VAL A 7 -6.121 1.726 -4.421 1.00 0.00 C ATOM 108 O VAL A 7 -6.264 1.052 -5.440 1.00 0.00 O ATOM 109 CB VAL A 7 -4.099 2.645 -3.164 1.00 0.00 C ATOM 110 CG1 VAL A 7 -3.280 1.360 -3.293 1.00 0.00 C ATOM 111 CG2 VAL A 7 -3.187 3.864 -3.013 1.00 0.00 C ATOM 0 H VAL A 7 -6.377 4.223 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.438 2.725 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.705 2.566 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.615 1.265 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.952 0.502 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.689 1.396 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.523 3.719 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.593 3.988 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.794 4.755 -2.852 1.00 0.00 H new ATOM 121 N LEU A 8 -6.849 1.590 -3.322 1.00 0.00 N ATOM 122 CA LEU A 8 -7.906 0.597 -3.244 1.00 0.00 C ATOM 123 C LEU A 8 -9.163 1.241 -2.654 1.00 0.00 C ATOM 124 O LEU A 8 -9.161 2.426 -2.323 1.00 0.00 O ATOM 125 CB LEU A 8 -7.427 -0.635 -2.472 1.00 0.00 C ATOM 126 CG LEU A 8 -6.047 -1.172 -2.857 1.00 0.00 C ATOM 127 CD1 LEU A 8 -5.083 -1.104 -1.671 1.00 0.00 C ATOM 128 CD2 LEU A 8 -6.150 -2.587 -3.432 1.00 0.00 C ATOM 0 H LEU A 8 -6.727 2.151 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.167 0.240 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.417 -0.392 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.157 -1.433 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.639 -0.535 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.109 -1.492 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.977 -0.069 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.475 -1.703 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.155 -2.945 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.588 -3.251 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.780 -2.573 -4.321 1.00 0.00 H new ATOM 140 N SER A 9 -10.206 0.432 -2.541 1.00 0.00 N ATOM 141 CA SER A 9 -11.467 0.908 -1.998 1.00 0.00 C ATOM 142 C SER A 9 -11.470 0.759 -0.475 1.00 0.00 C ATOM 143 O SER A 9 -10.491 0.297 0.108 1.00 0.00 O ATOM 144 CB SER A 9 -12.650 0.154 -2.608 1.00 0.00 C ATOM 145 OG SER A 9 -13.641 1.040 -3.121 1.00 0.00 O ATOM 0 H SER A 9 -10.204 -0.550 -2.816 1.00 0.00 H new ATOM 0 HA SER A 9 -11.573 1.962 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.293 -0.493 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.097 -0.491 -1.852 1.00 0.00 H new ATOM 0 HG SER A 9 -14.378 0.520 -3.503 1.00 0.00 H new ATOM 151 N GLY A 10 -12.582 1.158 0.125 1.00 0.00 N ATOM 152 CA GLY A 10 -12.725 1.075 1.568 1.00 0.00 C ATOM 153 C GLY A 10 -12.517 -0.360 2.057 1.00 0.00 C ATOM 154 O GLY A 10 -11.666 -0.612 2.909 1.00 0.00 O ATOM 0 H GLY A 10 -13.393 1.540 -0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.002 1.735 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.716 1.423 1.860 1.00 0.00 H new ATOM 158 N GLY A 11 -13.310 -1.263 1.499 1.00 0.00 N ATOM 159 CA GLY A 11 -13.223 -2.666 1.867 1.00 0.00 C ATOM 160 C GLY A 11 -11.812 -3.207 1.634 1.00 0.00 C ATOM 161 O GLY A 11 -11.264 -3.909 2.483 1.00 0.00 O ATOM 0 H GLY A 11 -14.016 -1.050 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.495 -2.788 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.939 -3.244 1.283 1.00 0.00 H new ATOM 165 N GLU A 12 -11.262 -2.861 0.479 1.00 0.00 N ATOM 166 CA GLU A 12 -9.925 -3.304 0.124 1.00 0.00 C ATOM 167 C GLU A 12 -8.905 -2.779 1.137 1.00 0.00 C ATOM 168 O GLU A 12 -7.916 -3.449 1.431 1.00 0.00 O ATOM 169 CB GLU A 12 -9.561 -2.866 -1.297 1.00 0.00 C ATOM 170 CG GLU A 12 -10.391 -3.627 -2.333 1.00 0.00 C ATOM 171 CD GLU A 12 -10.075 -5.123 -2.300 1.00 0.00 C ATOM 172 OE1 GLU A 12 -9.012 -5.490 -2.847 1.00 0.00 O ATOM 173 OE2 GLU A 12 -10.901 -5.865 -1.727 1.00 0.00 O ATOM 0 H GLU A 12 -11.719 -2.279 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.906 -4.394 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.730 -1.795 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.500 -3.041 -1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.452 -3.472 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.188 -3.231 -3.328 1.00 0.00 H new ATOM 180 N LEU A 13 -9.181 -1.586 1.643 1.00 0.00 N ATOM 181 CA LEU A 13 -8.299 -0.964 2.616 1.00 0.00 C ATOM 182 C LEU A 13 -8.422 -1.700 3.951 1.00 0.00 C ATOM 183 O LEU A 13 -7.416 -1.997 4.594 1.00 0.00 O ATOM 184 CB LEU A 13 -8.583 0.537 2.713 1.00 0.00 C ATOM 185 CG LEU A 13 -7.589 1.454 1.999 1.00 0.00 C ATOM 186 CD1 LEU A 13 -8.305 2.646 1.359 1.00 0.00 C ATOM 187 CD2 LEU A 13 -6.474 1.899 2.947 1.00 0.00 C ATOM 0 H LEU A 13 -10.003 -1.034 1.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.260 -1.049 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.577 0.726 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.611 0.814 3.767 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.121 0.888 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.576 3.282 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.033 2.286 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.817 3.220 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.781 2.550 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.906 2.441 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.939 1.024 3.315 1.00 0.00 H new ATOM 199 N ASP A 14 -9.662 -1.974 4.329 1.00 0.00 N ATOM 200 CA ASP A 14 -9.927 -2.670 5.576 1.00 0.00 C ATOM 201 C ASP A 14 -9.230 -4.032 5.555 1.00 0.00 C ATOM 202 O ASP A 14 -8.740 -4.499 6.581 1.00 0.00 O ATOM 203 CB ASP A 14 -11.426 -2.910 5.764 1.00 0.00 C ATOM 204 CG ASP A 14 -12.203 -1.729 6.349 1.00 0.00 C ATOM 205 OD1 ASP A 14 -12.066 -1.509 7.572 1.00 0.00 O ATOM 206 OD2 ASP A 14 -12.916 -1.072 5.560 1.00 0.00 O ATOM 0 H ASP A 14 -10.494 -1.726 3.793 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.554 -2.051 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.861 -3.169 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.561 -3.773 6.416 1.00 0.00 H new ATOM 211 N LYS A 15 -9.206 -4.630 4.372 1.00 0.00 N ATOM 212 CA LYS A 15 -8.576 -5.928 4.203 1.00 0.00 C ATOM 213 C LYS A 15 -7.058 -5.748 4.131 1.00 0.00 C ATOM 214 O LYS A 15 -6.306 -6.572 4.649 1.00 0.00 O ATOM 215 CB LYS A 15 -9.167 -6.657 2.994 1.00 0.00 C ATOM 216 CG LYS A 15 -10.595 -7.125 3.282 1.00 0.00 C ATOM 217 CD LYS A 15 -10.810 -8.559 2.796 1.00 0.00 C ATOM 218 CE LYS A 15 -12.188 -8.719 2.149 1.00 0.00 C ATOM 219 NZ LYS A 15 -12.145 -9.745 1.084 1.00 0.00 N ATOM 0 H LYS A 15 -9.613 -4.239 3.522 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.781 -6.566 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.165 -5.995 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.543 -7.514 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.792 -7.067 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.305 -6.460 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.034 -8.823 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.716 -9.249 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.920 -9.002 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.513 -7.766 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.088 -9.841 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.461 -9.460 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.856 -10.657 1.492 1.00 0.00 H new ATOM 233 N TRP A 16 -6.653 -4.665 3.483 1.00 0.00 N ATOM 234 CA TRP A 16 -5.238 -4.367 3.336 1.00 0.00 C ATOM 235 C TRP A 16 -4.645 -4.188 4.734 1.00 0.00 C ATOM 236 O TRP A 16 -3.464 -4.455 4.951 1.00 0.00 O ATOM 237 CB TRP A 16 -5.026 -3.149 2.435 1.00 0.00 C ATOM 238 CG TRP A 16 -3.812 -2.298 2.816 1.00 0.00 C ATOM 239 CD1 TRP A 16 -3.765 -1.261 3.662 1.00 0.00 C ATOM 240 CD2 TRP A 16 -2.464 -2.456 2.325 1.00 0.00 C ATOM 241 NE1 TRP A 16 -2.490 -0.740 3.753 1.00 0.00 N ATOM 242 CE2 TRP A 16 -1.674 -1.490 2.914 1.00 0.00 C ATOM 243 CE3 TRP A 16 -1.930 -3.383 1.413 1.00 0.00 C ATOM 244 CZ2 TRP A 16 -0.304 -1.358 2.656 1.00 0.00 C ATOM 245 CZ3 TRP A 16 -0.560 -3.238 1.167 1.00 0.00 C ATOM 246 CH2 TRP A 16 0.249 -2.271 1.751 1.00 0.00 C ATOM 0 H TRP A 16 -7.279 -3.984 3.054 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.719 -5.188 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.911 -3.487 1.405 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.919 -2.525 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -4.617 -0.880 4.205 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.200 0.050 4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.530 -4.147 0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 0.293 -0.593 3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.099 -3.926 0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 16 1.300 -2.224 1.508 1.00 0.00 H new ATOM 257 N GLU A 17 -5.492 -3.736 5.649 1.00 0.00 N ATOM 258 CA GLU A 17 -5.067 -3.517 7.020 1.00 0.00 C ATOM 259 C GLU A 17 -5.293 -4.780 7.854 1.00 0.00 C ATOM 260 O GLU A 17 -5.557 -4.698 9.052 1.00 0.00 O ATOM 261 CB GLU A 17 -5.791 -2.318 7.635 1.00 0.00 C ATOM 262 CG GLU A 17 -5.254 -2.010 9.034 1.00 0.00 C ATOM 263 CD GLU A 17 -6.383 -2.001 10.066 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.328 -2.799 9.879 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.277 -1.198 11.016 1.00 0.00 O ATOM 0 H GLU A 17 -6.471 -3.516 5.466 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.000 -3.292 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.666 -1.446 6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.860 -2.523 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.508 -2.754 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.753 -1.042 9.030 1.00 0.00 H new ATOM 272 N LYS A 18 -5.180 -5.919 7.186 1.00 0.00 N ATOM 273 CA LYS A 18 -5.368 -7.198 7.851 1.00 0.00 C ATOM 274 C LYS A 18 -4.063 -7.995 7.794 1.00 0.00 C ATOM 275 O LYS A 18 -3.955 -9.059 8.400 1.00 0.00 O ATOM 276 CB LYS A 18 -6.568 -7.939 7.257 1.00 0.00 C ATOM 277 CG LYS A 18 -7.508 -8.431 8.358 1.00 0.00 C ATOM 278 CD LYS A 18 -8.490 -7.334 8.773 1.00 0.00 C ATOM 279 CE LYS A 18 -9.937 -7.820 8.660 1.00 0.00 C ATOM 280 NZ LYS A 18 -10.200 -8.895 9.642 1.00 0.00 N ATOM 0 H LYS A 18 -4.961 -5.983 6.192 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.604 -7.049 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.109 -7.278 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.220 -8.786 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.059 -9.303 8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.926 -8.749 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.285 -7.027 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.347 -6.456 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.621 -6.988 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.126 -8.187 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.218 -9.108 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.672 -9.749 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.895 -8.585 10.587 1.00 0.00 H new ATOM 294 N ILE A 19 -3.106 -7.449 7.059 1.00 0.00 N ATOM 295 CA ILE A 19 -1.812 -8.096 6.914 1.00 0.00 C ATOM 296 C ILE A 19 -0.901 -7.666 8.066 1.00 0.00 C ATOM 297 O ILE A 19 -0.714 -6.474 8.303 1.00 0.00 O ATOM 298 CB ILE A 19 -1.225 -7.818 5.529 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.257 -8.091 4.432 1.00 0.00 C ATOM 300 CG2 ILE A 19 0.066 -8.607 5.312 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.852 -6.785 3.901 1.00 0.00 C ATOM 0 H ILE A 19 -3.200 -6.566 6.557 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.918 -9.179 6.977 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.968 -6.760 5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.788 -8.640 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.053 -8.724 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.462 -8.391 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.799 -8.320 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.141 -9.674 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.582 -7.008 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.341 -6.250 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.057 -6.165 3.486 1.00 0.00 H new ATOM 313 N ARG A 20 -0.358 -8.662 8.751 1.00 0.00 N ATOM 314 CA ARG A 20 0.529 -8.404 9.872 1.00 0.00 C ATOM 315 C ARG A 20 1.938 -8.081 9.370 1.00 0.00 C ATOM 316 O ARG A 20 2.339 -8.536 8.300 1.00 0.00 O ATOM 317 CB ARG A 20 0.595 -9.609 10.813 1.00 0.00 C ATOM 318 CG ARG A 20 -0.648 -9.676 11.704 1.00 0.00 C ATOM 319 CD ARG A 20 -0.267 -9.984 13.153 1.00 0.00 C ATOM 320 NE ARG A 20 -1.266 -9.398 14.075 1.00 0.00 N ATOM 321 CZ ARG A 20 -2.532 -9.822 14.178 1.00 0.00 C ATOM 322 NH1 ARG A 20 -2.962 -10.839 13.418 1.00 0.00 N ATOM 323 NH2 ARG A 20 -3.369 -9.231 15.042 1.00 0.00 N ATOM 0 H ARG A 20 -0.516 -9.650 8.551 1.00 0.00 H new ATOM 0 HA ARG A 20 0.129 -7.551 10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.679 -10.526 10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.489 -9.542 11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.184 -8.728 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.326 -10.444 11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.211 -11.062 13.302 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.722 -9.581 13.371 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.972 -8.623 14.669 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.325 -11.290 12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.926 -11.162 13.496 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.042 -8.458 15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.333 -9.554 15.120 1.00 0.00 H new ATOM 337 N LEU A 21 2.650 -7.297 10.166 1.00 0.00 N ATOM 338 CA LEU A 21 4.005 -6.908 9.816 1.00 0.00 C ATOM 339 C LEU A 21 4.978 -7.996 10.274 1.00 0.00 C ATOM 340 O LEU A 21 5.886 -8.373 9.535 1.00 0.00 O ATOM 341 CB LEU A 21 4.325 -5.520 10.376 1.00 0.00 C ATOM 342 CG LEU A 21 3.173 -4.514 10.376 1.00 0.00 C ATOM 343 CD1 LEU A 21 3.296 -3.539 11.548 1.00 0.00 C ATOM 344 CD2 LEU A 21 3.081 -3.786 9.033 1.00 0.00 C ATOM 0 H LEU A 21 2.314 -6.921 11.052 1.00 0.00 H new ATOM 0 HA LEU A 21 4.110 -6.822 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.679 -5.636 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.149 -5.099 9.800 1.00 0.00 H new ATOM 0 HG LEU A 21 2.241 -5.063 10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.464 -2.835 11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.275 -4.093 12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.236 -2.993 11.470 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.254 -3.077 9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.012 -3.251 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.912 -4.511 8.237 1.00 0.00 H new ATOM 356 N ARG A 22 4.756 -8.469 11.492 1.00 0.00 N ATOM 357 CA ARG A 22 5.602 -9.506 12.057 1.00 0.00 C ATOM 358 C ARG A 22 4.896 -10.862 11.989 1.00 0.00 C ATOM 359 O ARG A 22 3.669 -10.927 11.977 1.00 0.00 O ATOM 360 CB ARG A 22 5.957 -9.195 13.513 1.00 0.00 C ATOM 361 CG ARG A 22 7.464 -9.310 13.747 1.00 0.00 C ATOM 362 CD ARG A 22 8.044 -7.983 14.245 1.00 0.00 C ATOM 363 NE ARG A 22 9.287 -7.666 13.508 1.00 0.00 N ATOM 364 CZ ARG A 22 10.177 -6.743 13.899 1.00 0.00 C ATOM 365 NH1 ARG A 22 9.966 -6.042 15.021 1.00 0.00 N ATOM 366 NH2 ARG A 22 11.278 -6.522 13.167 1.00 0.00 N ATOM 0 H ARG A 22 4.003 -8.153 12.103 1.00 0.00 H new ATOM 0 HA ARG A 22 6.520 -9.541 11.471 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.622 -8.189 13.766 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.429 -9.882 14.174 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.664 -10.095 14.476 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.958 -9.602 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.316 -7.184 14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.251 -8.045 15.313 1.00 0.00 H new ATOM 0 HE ARG A 22 9.479 -8.182 12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.128 -6.211 15.578 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.643 -5.340 15.319 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.438 -7.056 12.313 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.955 -5.820 13.464 1.00 0.00 H new ATOM 380 N PRO A 23 5.725 -11.940 11.948 1.00 0.00 N ATOM 381 CA PRO A 23 5.193 -13.290 11.882 1.00 0.00 C ATOM 382 C PRO A 23 4.638 -13.727 13.238 1.00 0.00 C ATOM 383 O PRO A 23 3.633 -14.434 13.303 1.00 0.00 O ATOM 384 CB PRO A 23 6.356 -14.149 11.412 1.00 0.00 C ATOM 385 CG PRO A 23 7.611 -13.332 11.678 1.00 0.00 C ATOM 386 CD PRO A 23 7.184 -11.901 11.961 1.00 0.00 C ATOM 0 HA PRO A 23 4.349 -13.376 11.197 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.385 -15.096 11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.262 -14.388 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.160 -13.741 12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.279 -13.368 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.562 -11.558 12.924 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.569 -11.216 11.205 1.00 0.00 H new ATOM 394 N GLY A 24 5.316 -13.290 14.289 1.00 0.00 N ATOM 395 CA GLY A 24 4.903 -13.627 15.641 1.00 0.00 C ATOM 396 C GLY A 24 3.796 -12.688 16.126 1.00 0.00 C ATOM 397 O GLY A 24 3.239 -12.885 17.204 1.00 0.00 O ATOM 0 H GLY A 24 6.149 -12.705 14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.550 -14.658 15.671 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.759 -13.564 16.313 1.00 0.00 H new ATOM 401 N GLY A 25 3.510 -11.687 15.305 1.00 0.00 N ATOM 402 CA GLY A 25 2.480 -10.718 15.638 1.00 0.00 C ATOM 403 C GLY A 25 3.098 -9.371 16.018 1.00 0.00 C ATOM 404 O GLY A 25 4.304 -9.277 16.237 1.00 0.00 O ATOM 0 H GLY A 25 3.974 -11.527 14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.809 -10.588 14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.877 -11.092 16.466 1.00 0.00 H new ATOM 408 N LYS A 26 2.241 -8.362 16.084 1.00 0.00 N ATOM 409 CA LYS A 26 2.688 -7.024 16.434 1.00 0.00 C ATOM 410 C LYS A 26 1.636 -6.007 15.987 1.00 0.00 C ATOM 411 O LYS A 26 1.085 -5.277 16.810 1.00 0.00 O ATOM 412 CB LYS A 26 4.082 -6.757 15.862 1.00 0.00 C ATOM 413 CG LYS A 26 5.157 -6.928 16.937 1.00 0.00 C ATOM 414 CD LYS A 26 5.822 -5.589 17.266 1.00 0.00 C ATOM 415 CE LYS A 26 4.965 -4.776 18.238 1.00 0.00 C ATOM 416 NZ LYS A 26 5.779 -3.727 18.892 1.00 0.00 N ATOM 0 H LYS A 26 1.241 -8.444 15.901 1.00 0.00 H new ATOM 0 HA LYS A 26 2.788 -6.927 17.515 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.277 -7.440 15.036 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.125 -5.746 15.457 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.711 -7.348 17.839 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.910 -7.637 16.594 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.805 -5.765 17.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.977 -5.021 16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.133 -4.318 17.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.536 -5.435 18.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.183 -3.184 19.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.559 -4.170 19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.168 -3.089 18.169 1.00 0.00 H new ATOM 430 N LYS A 27 1.388 -5.991 14.686 1.00 0.00 N ATOM 431 CA LYS A 27 0.411 -5.076 14.121 1.00 0.00 C ATOM 432 C LYS A 27 0.180 -5.429 12.650 1.00 0.00 C ATOM 433 O LYS A 27 0.737 -6.403 12.146 1.00 0.00 O ATOM 434 CB LYS A 27 0.843 -3.626 14.345 1.00 0.00 C ATOM 435 CG LYS A 27 -0.322 -2.780 14.860 1.00 0.00 C ATOM 436 CD LYS A 27 0.168 -1.707 15.835 1.00 0.00 C ATOM 437 CE LYS A 27 -0.619 -1.757 17.146 1.00 0.00 C ATOM 438 NZ LYS A 27 -1.698 -0.745 17.142 1.00 0.00 N ATOM 0 H LYS A 27 1.847 -6.597 14.006 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.548 -5.180 14.629 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.664 -3.594 15.061 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.217 -3.206 13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.832 -2.308 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.051 -3.421 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.229 -1.852 16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.062 -0.722 15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.045 -2.751 17.283 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.052 -1.579 17.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.222 -0.793 18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.284 0.203 17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.347 -0.933 16.351 1.00 0.00 H new ATOM 452 N GLN A 28 -0.641 -4.616 12.001 1.00 0.00 N ATOM 453 CA GLN A 28 -0.952 -4.829 10.599 1.00 0.00 C ATOM 454 C GLN A 28 -0.754 -3.535 9.808 1.00 0.00 C ATOM 455 O GLN A 28 -0.507 -2.479 10.390 1.00 0.00 O ATOM 456 CB GLN A 28 -2.376 -5.364 10.427 1.00 0.00 C ATOM 457 CG GLN A 28 -3.350 -4.633 11.353 1.00 0.00 C ATOM 458 CD GLN A 28 -3.660 -5.472 12.595 1.00 0.00 C ATOM 459 OE1 GLN A 28 -2.872 -6.294 13.033 1.00 0.00 O ATOM 460 NE2 GLN A 28 -4.848 -5.219 13.136 1.00 0.00 N ATOM 0 H GLN A 28 -1.100 -3.808 12.421 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.267 -5.580 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.692 -5.242 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.396 -6.432 10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.923 -3.676 11.653 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.274 -4.416 10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.459 -4.517 12.719 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.148 -5.726 13.968 1.00 0.00 H new ATOM 469 N TYR A 29 -0.870 -3.658 8.494 1.00 0.00 N ATOM 470 CA TYR A 29 -0.707 -2.510 7.617 1.00 0.00 C ATOM 471 C TYR A 29 -1.727 -1.418 7.949 1.00 0.00 C ATOM 472 O TYR A 29 -2.553 -1.586 8.843 1.00 0.00 O ATOM 473 CB TYR A 29 -0.969 -3.021 6.199 1.00 0.00 C ATOM 474 CG TYR A 29 0.204 -3.793 5.590 1.00 0.00 C ATOM 475 CD1 TYR A 29 1.184 -4.318 6.408 1.00 0.00 C ATOM 476 CD2 TYR A 29 0.281 -3.965 4.223 1.00 0.00 C ATOM 477 CE1 TYR A 29 2.287 -5.045 5.835 1.00 0.00 C ATOM 478 CE2 TYR A 29 1.384 -4.691 3.650 1.00 0.00 C ATOM 479 CZ TYR A 29 2.333 -5.195 4.484 1.00 0.00 C ATOM 480 OH TYR A 29 3.375 -5.881 3.943 1.00 0.00 O ATOM 0 H TYR A 29 -1.075 -4.535 8.015 1.00 0.00 H new ATOM 0 HA TYR A 29 0.288 -2.080 7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.848 -3.666 6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.206 -2.173 5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.124 -4.184 7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.486 -3.555 3.583 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.060 -5.462 6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.456 -4.832 2.582 1.00 0.00 H new ATOM 0 HH TYR A 29 4.196 -5.354 4.034 1.00 0.00 H new ATOM 490 N LYS A 30 -1.634 -0.323 7.209 1.00 0.00 N ATOM 491 CA LYS A 30 -2.537 0.797 7.413 1.00 0.00 C ATOM 492 C LYS A 30 -2.153 1.937 6.467 1.00 0.00 C ATOM 493 O LYS A 30 -1.158 1.843 5.749 1.00 0.00 O ATOM 494 CB LYS A 30 -2.562 1.204 8.887 1.00 0.00 C ATOM 495 CG LYS A 30 -1.143 1.365 9.436 1.00 0.00 C ATOM 496 CD LYS A 30 -0.943 0.519 10.695 1.00 0.00 C ATOM 497 CE LYS A 30 -1.187 1.349 11.957 1.00 0.00 C ATOM 498 NZ LYS A 30 -1.756 0.504 13.031 1.00 0.00 N ATOM 0 H LYS A 30 -0.947 -0.187 6.467 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.560 0.510 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.108 2.141 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.097 0.452 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.420 1.069 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.955 2.414 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.624 -0.332 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.070 0.117 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.251 1.794 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.868 2.170 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.916 1.083 13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.660 0.100 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.093 -0.265 13.256 1.00 0.00 H new ATOM 512 N LEU A 31 -2.961 2.986 6.497 1.00 0.00 N ATOM 513 CA LEU A 31 -2.717 4.142 5.651 1.00 0.00 C ATOM 514 C LEU A 31 -1.310 4.679 5.921 1.00 0.00 C ATOM 515 O LEU A 31 -0.755 5.414 5.105 1.00 0.00 O ATOM 516 CB LEU A 31 -3.820 5.186 5.840 1.00 0.00 C ATOM 517 CG LEU A 31 -4.358 5.831 4.562 1.00 0.00 C ATOM 518 CD1 LEU A 31 -3.232 6.495 3.767 1.00 0.00 C ATOM 519 CD2 LEU A 31 -5.134 4.816 3.720 1.00 0.00 C ATOM 0 H LEU A 31 -3.785 3.060 7.094 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.754 3.859 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.652 4.716 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.439 5.975 6.489 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.059 6.617 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.642 6.946 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.762 7.267 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.489 5.746 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.506 5.301 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.475 3.992 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.975 4.431 4.297 1.00 0.00 H new ATOM 531 N LYS A 32 -0.773 4.291 7.068 1.00 0.00 N ATOM 532 CA LYS A 32 0.558 4.724 7.455 1.00 0.00 C ATOM 533 C LYS A 32 1.593 4.043 6.556 1.00 0.00 C ATOM 534 O LYS A 32 2.520 4.690 6.070 1.00 0.00 O ATOM 535 CB LYS A 32 0.788 4.481 8.948 1.00 0.00 C ATOM 536 CG LYS A 32 1.674 5.573 9.552 1.00 0.00 C ATOM 537 CD LYS A 32 3.094 5.056 9.792 1.00 0.00 C ATOM 538 CE LYS A 32 4.003 6.172 10.311 1.00 0.00 C ATOM 539 NZ LYS A 32 4.257 7.170 9.248 1.00 0.00 N ATOM 0 H LYS A 32 -1.236 3.681 7.742 1.00 0.00 H new ATOM 0 HA LYS A 32 0.665 5.799 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.170 4.456 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.255 3.507 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.704 6.433 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.244 5.916 10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.070 4.237 10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.500 4.653 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.539 6.657 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.947 5.750 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.060 7.771 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.478 6.680 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.411 7.761 9.117 1.00 0.00 H new ATOM 553 N HIS A 33 1.400 2.747 6.362 1.00 0.00 N ATOM 554 CA HIS A 33 2.304 1.972 5.530 1.00 0.00 C ATOM 555 C HIS A 33 2.112 2.361 4.063 1.00 0.00 C ATOM 556 O HIS A 33 3.074 2.413 3.299 1.00 0.00 O ATOM 557 CB HIS A 33 2.120 0.474 5.775 1.00 0.00 C ATOM 558 CG HIS A 33 2.679 -0.007 7.093 1.00 0.00 C ATOM 559 ND1 HIS A 33 1.877 -0.342 8.170 1.00 0.00 N ATOM 560 CD2 HIS A 33 3.967 -0.205 7.495 1.00 0.00 C ATOM 561 CE1 HIS A 33 2.659 -0.723 9.170 1.00 0.00 C ATOM 562 NE2 HIS A 33 3.953 -0.637 8.750 1.00 0.00 N ATOM 0 H HIS A 33 0.630 2.214 6.767 1.00 0.00 H new ATOM 0 HA HIS A 33 3.336 2.200 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.057 0.238 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.599 -0.077 4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.849 -0.039 6.894 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.329 -1.045 10.147 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.775 -0.867 9.308 1.00 0.00 H new ATOM 571 N ILE A 34 0.861 2.623 3.713 1.00 0.00 N ATOM 572 CA ILE A 34 0.530 3.006 2.350 1.00 0.00 C ATOM 573 C ILE A 34 1.090 4.401 2.066 1.00 0.00 C ATOM 574 O ILE A 34 1.563 4.671 0.963 1.00 0.00 O ATOM 575 CB ILE A 34 -0.978 2.888 2.113 1.00 0.00 C ATOM 576 CG1 ILE A 34 -1.385 1.430 1.889 1.00 0.00 C ATOM 577 CG2 ILE A 34 -1.423 3.790 0.960 1.00 0.00 C ATOM 578 CD1 ILE A 34 -2.882 1.318 1.599 1.00 0.00 C ATOM 0 H ILE A 34 0.065 2.578 4.349 1.00 0.00 H new ATOM 0 HA ILE A 34 0.996 2.325 1.638 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.493 3.232 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.817 1.014 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.136 0.840 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.498 3.688 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.186 4.827 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.902 3.499 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.145 0.272 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.447 1.713 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.123 1.890 0.703 1.00 0.00 H new ATOM 590 N VAL A 35 1.018 5.250 3.080 1.00 0.00 N ATOM 591 CA VAL A 35 1.512 6.611 2.953 1.00 0.00 C ATOM 592 C VAL A 35 3.035 6.584 2.808 1.00 0.00 C ATOM 593 O VAL A 35 3.600 7.339 2.018 1.00 0.00 O ATOM 594 CB VAL A 35 1.038 7.452 4.140 1.00 0.00 C ATOM 595 CG1 VAL A 35 1.895 8.710 4.296 1.00 0.00 C ATOM 596 CG2 VAL A 35 -0.442 7.810 4.003 1.00 0.00 C ATOM 0 H VAL A 35 0.625 5.022 3.993 1.00 0.00 H new ATOM 0 HA VAL A 35 1.109 7.083 2.057 1.00 0.00 H new ATOM 0 HB VAL A 35 1.154 6.853 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.538 9.291 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.934 8.424 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.825 9.313 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.753 8.408 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.595 8.381 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.035 6.896 3.964 1.00 0.00 H new ATOM 606 N TRP A 36 3.656 5.707 3.584 1.00 0.00 N ATOM 607 CA TRP A 36 5.102 5.573 3.552 1.00 0.00 C ATOM 608 C TRP A 36 5.500 5.083 2.159 1.00 0.00 C ATOM 609 O TRP A 36 6.397 5.646 1.532 1.00 0.00 O ATOM 610 CB TRP A 36 5.592 4.652 4.672 1.00 0.00 C ATOM 611 CG TRP A 36 6.916 3.952 4.366 1.00 0.00 C ATOM 612 CD1 TRP A 36 8.113 4.511 4.139 1.00 0.00 C ATOM 613 CD2 TRP A 36 7.133 2.528 4.263 1.00 0.00 C ATOM 614 NE1 TRP A 36 9.080 3.555 3.898 1.00 0.00 N ATOM 615 CE2 TRP A 36 8.465 2.312 3.976 1.00 0.00 C ATOM 616 CE3 TRP A 36 6.231 1.459 4.408 1.00 0.00 C ATOM 617 CZ2 TRP A 36 9.016 1.036 3.809 1.00 0.00 C ATOM 618 CZ3 TRP A 36 6.797 0.189 4.238 1.00 0.00 C ATOM 619 CH2 TRP A 36 8.137 -0.045 3.948 1.00 0.00 C ATOM 0 H TRP A 36 3.184 5.083 4.238 1.00 0.00 H new ATOM 0 HA TRP A 36 5.583 6.534 3.734 1.00 0.00 H new ATOM 0 HB2 TRP A 36 5.704 5.236 5.586 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.830 3.897 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 36 8.298 5.575 4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 36 10.065 3.730 3.699 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.185 1.606 4.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.063 0.893 3.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.148 -0.668 4.339 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.498 -1.056 3.831 1.00 0.00 H new ATOM 630 N ALA A 37 4.815 4.040 1.714 1.00 0.00 N ATOM 631 CA ALA A 37 5.087 3.468 0.407 1.00 0.00 C ATOM 632 C ALA A 37 4.838 4.526 -0.670 1.00 0.00 C ATOM 633 O ALA A 37 5.586 4.615 -1.643 1.00 0.00 O ATOM 634 CB ALA A 37 4.226 2.219 0.207 1.00 0.00 C ATOM 0 H ALA A 37 4.072 3.576 2.236 1.00 0.00 H new ATOM 0 HA ALA A 37 6.130 3.161 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.430 1.790 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.462 1.487 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.172 2.489 0.273 1.00 0.00 H new ATOM 640 N SER A 38 3.784 5.302 -0.459 1.00 0.00 N ATOM 641 CA SER A 38 3.427 6.350 -1.399 1.00 0.00 C ATOM 642 C SER A 38 4.584 7.343 -1.540 1.00 0.00 C ATOM 643 O SER A 38 4.930 7.745 -2.649 1.00 0.00 O ATOM 644 CB SER A 38 2.155 7.076 -0.959 1.00 0.00 C ATOM 645 OG SER A 38 1.439 7.618 -2.065 1.00 0.00 O ATOM 0 H SER A 38 3.166 5.225 0.349 1.00 0.00 H new ATOM 0 HA SER A 38 3.232 5.889 -2.367 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.512 6.384 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.416 7.878 -0.268 1.00 0.00 H new ATOM 0 HG SER A 38 0.633 8.072 -1.742 1.00 0.00 H new ATOM 651 N ARG A 39 5.148 7.710 -0.398 1.00 0.00 N ATOM 652 CA ARG A 39 6.257 8.649 -0.379 1.00 0.00 C ATOM 653 C ARG A 39 7.462 8.061 -1.117 1.00 0.00 C ATOM 654 O ARG A 39 8.122 8.756 -1.887 1.00 0.00 O ATOM 655 CB ARG A 39 6.664 8.992 1.055 1.00 0.00 C ATOM 656 CG ARG A 39 6.128 10.366 1.463 1.00 0.00 C ATOM 657 CD ARG A 39 7.260 11.273 1.951 1.00 0.00 C ATOM 658 NE ARG A 39 7.193 11.419 3.422 1.00 0.00 N ATOM 659 CZ ARG A 39 7.873 12.340 4.118 1.00 0.00 C ATOM 660 NH1 ARG A 39 8.675 13.203 3.480 1.00 0.00 N ATOM 661 NH2 ARG A 39 7.750 12.398 5.451 1.00 0.00 N ATOM 0 H ARG A 39 4.858 7.374 0.520 1.00 0.00 H new ATOM 0 HA ARG A 39 5.929 9.560 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.283 8.232 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.751 8.981 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.625 10.831 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.384 10.251 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.224 10.853 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.184 12.251 1.476 1.00 0.00 H new ATOM 0 HE ARG A 39 6.591 10.778 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.768 13.159 2.465 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.193 13.904 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.139 11.741 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.268 13.099 5.981 1.00 0.00 H new ATOM 675 N GLU A 40 7.711 6.787 -0.855 1.00 0.00 N ATOM 676 CA GLU A 40 8.825 6.097 -1.484 1.00 0.00 C ATOM 677 C GLU A 40 8.684 6.142 -3.008 1.00 0.00 C ATOM 678 O GLU A 40 9.643 6.452 -3.714 1.00 0.00 O ATOM 679 CB GLU A 40 8.929 4.655 -0.986 1.00 0.00 C ATOM 680 CG GLU A 40 10.084 3.920 -1.669 1.00 0.00 C ATOM 681 CD GLU A 40 11.369 4.033 -0.846 1.00 0.00 C ATOM 682 OE1 GLU A 40 11.711 5.179 -0.482 1.00 0.00 O ATOM 683 OE2 GLU A 40 11.980 2.971 -0.600 1.00 0.00 O ATOM 0 H GLU A 40 7.161 6.214 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 40 9.747 6.609 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.078 4.649 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.994 4.131 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.824 2.870 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.247 4.336 -2.663 1.00 0.00 H new ATOM 690 N LEU A 41 7.483 5.828 -3.468 1.00 0.00 N ATOM 691 CA LEU A 41 7.204 5.829 -4.895 1.00 0.00 C ATOM 692 C LEU A 41 7.497 7.217 -5.466 1.00 0.00 C ATOM 693 O LEU A 41 8.204 7.344 -6.465 1.00 0.00 O ATOM 694 CB LEU A 41 5.779 5.342 -5.162 1.00 0.00 C ATOM 695 CG LEU A 41 5.620 3.842 -5.424 1.00 0.00 C ATOM 696 CD1 LEU A 41 6.181 3.464 -6.796 1.00 0.00 C ATOM 697 CD2 LEU A 41 6.252 3.020 -4.299 1.00 0.00 C ATOM 0 H LEU A 41 6.691 5.571 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 41 7.858 5.127 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.159 5.609 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.386 5.884 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 41 4.556 3.607 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.056 2.393 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.647 4.013 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.241 3.716 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.125 1.958 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.315 3.252 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.767 3.263 -3.354 1.00 0.00 H new ATOM 709 N GLU A 42 6.939 8.223 -4.809 1.00 0.00 N ATOM 710 CA GLU A 42 7.132 9.597 -5.240 1.00 0.00 C ATOM 711 C GLU A 42 8.624 9.937 -5.280 1.00 0.00 C ATOM 712 O GLU A 42 9.062 10.722 -6.118 1.00 0.00 O ATOM 713 CB GLU A 42 6.374 10.568 -4.332 1.00 0.00 C ATOM 714 CG GLU A 42 5.306 11.333 -5.117 1.00 0.00 C ATOM 715 CD GLU A 42 5.288 12.810 -4.721 1.00 0.00 C ATOM 716 OE1 GLU A 42 6.391 13.347 -4.483 1.00 0.00 O ATOM 717 OE2 GLU A 42 4.171 13.369 -4.667 1.00 0.00 O ATOM 0 H GLU A 42 6.353 8.114 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 42 6.728 9.701 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.906 10.018 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.074 11.272 -3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.500 11.242 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.327 10.891 -4.932 1.00 0.00 H new ATOM 724 N ARG A 43 9.361 9.326 -4.365 1.00 0.00 N ATOM 725 CA ARG A 43 10.795 9.554 -4.285 1.00 0.00 C ATOM 726 C ARG A 43 11.522 8.733 -5.350 1.00 0.00 C ATOM 727 O ARG A 43 12.636 9.071 -5.747 1.00 0.00 O ATOM 728 CB ARG A 43 11.336 9.180 -2.904 1.00 0.00 C ATOM 729 CG ARG A 43 11.843 10.416 -2.160 1.00 0.00 C ATOM 730 CD ARG A 43 11.306 10.453 -0.727 1.00 0.00 C ATOM 731 NE ARG A 43 11.681 11.729 -0.078 1.00 0.00 N ATOM 732 CZ ARG A 43 11.057 12.894 -0.297 1.00 0.00 C ATOM 733 NH1 ARG A 43 10.026 12.953 -1.149 1.00 0.00 N ATOM 734 NH2 ARG A 43 11.466 14.003 0.336 1.00 0.00 N ATOM 0 H ARG A 43 8.993 8.673 -3.673 1.00 0.00 H new ATOM 0 HA ARG A 43 10.972 10.616 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.552 8.697 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.145 8.458 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.933 10.413 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.534 11.316 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.221 10.344 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.707 9.614 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 43 12.463 11.721 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.715 12.110 -1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.552 13.841 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.252 13.960 0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.991 14.890 0.169 1.00 0.00 H new ATOM 748 N PHE A 44 10.863 7.667 -5.784 1.00 0.00 N ATOM 749 CA PHE A 44 11.434 6.795 -6.795 1.00 0.00 C ATOM 750 C PHE A 44 11.147 7.326 -8.202 1.00 0.00 C ATOM 751 O PHE A 44 11.340 6.616 -9.187 1.00 0.00 O ATOM 752 CB PHE A 44 10.767 5.427 -6.634 1.00 0.00 C ATOM 753 CG PHE A 44 11.502 4.487 -5.677 1.00 0.00 C ATOM 754 CD1 PHE A 44 11.947 4.947 -4.478 1.00 0.00 C ATOM 755 CD2 PHE A 44 11.709 3.188 -6.026 1.00 0.00 C ATOM 756 CE1 PHE A 44 12.629 4.074 -3.590 1.00 0.00 C ATOM 757 CE2 PHE A 44 12.391 2.314 -5.139 1.00 0.00 C ATOM 758 CZ PHE A 44 12.836 2.776 -3.939 1.00 0.00 C ATOM 0 H PHE A 44 9.939 7.389 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 44 12.515 6.738 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.748 5.571 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.696 4.951 -7.612 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.782 5.978 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.354 2.822 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.983 4.441 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.556 1.283 -5.416 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.354 2.111 -3.263 1.00 0.00 H new ATOM 768 N ALA A 45 10.693 8.570 -8.248 1.00 0.00 N ATOM 769 CA ALA A 45 10.378 9.204 -9.518 1.00 0.00 C ATOM 770 C ALA A 45 9.304 8.386 -10.239 1.00 0.00 C ATOM 771 O ALA A 45 9.303 8.302 -11.466 1.00 0.00 O ATOM 772 CB ALA A 45 11.656 9.348 -10.348 1.00 0.00 C ATOM 0 H ALA A 45 10.536 9.156 -7.428 1.00 0.00 H new ATOM 0 HA ALA A 45 9.978 10.205 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.420 9.823 -11.300 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.375 9.961 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.084 8.362 -10.531 1.00 0.00 H new ATOM 778 N VAL A 46 8.416 7.805 -9.445 1.00 0.00 N ATOM 779 CA VAL A 46 7.339 6.999 -9.993 1.00 0.00 C ATOM 780 C VAL A 46 5.998 7.531 -9.483 1.00 0.00 C ATOM 781 O VAL A 46 5.922 8.078 -8.383 1.00 0.00 O ATOM 782 CB VAL A 46 7.565 5.523 -9.653 1.00 0.00 C ATOM 783 CG1 VAL A 46 8.107 5.366 -8.230 1.00 0.00 C ATOM 784 CG2 VAL A 46 6.281 4.714 -9.844 1.00 0.00 C ATOM 0 H VAL A 46 8.421 7.877 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 46 7.324 7.070 -11.081 1.00 0.00 H new ATOM 0 HB VAL A 46 8.313 5.130 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.259 4.309 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.056 5.895 -8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.392 5.783 -7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.469 3.669 -9.596 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.502 5.108 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.956 4.788 -10.882 1.00 0.00 H new ATOM 794 N ASN A 47 4.974 7.351 -10.305 1.00 0.00 N ATOM 795 CA ASN A 47 3.642 7.807 -9.951 1.00 0.00 C ATOM 796 C ASN A 47 3.037 6.849 -8.921 1.00 0.00 C ATOM 797 O ASN A 47 2.981 5.642 -9.148 1.00 0.00 O ATOM 798 CB ASN A 47 2.723 7.826 -11.174 1.00 0.00 C ATOM 799 CG ASN A 47 3.127 8.938 -12.145 1.00 0.00 C ATOM 800 OD1 ASN A 47 3.861 9.853 -11.811 1.00 0.00 O ATOM 801 ND2 ASN A 47 2.609 8.806 -13.363 1.00 0.00 N ATOM 0 H ASN A 47 5.041 6.895 -11.215 1.00 0.00 H new ATOM 0 HA ASN A 47 3.727 8.816 -9.548 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.766 6.862 -11.681 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.691 7.973 -10.856 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.820 9.496 -14.084 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.001 8.015 -13.576 1.00 0.00 H new ATOM 808 N PRO A 48 2.588 7.440 -7.781 1.00 0.00 N ATOM 809 CA PRO A 48 1.990 6.654 -6.716 1.00 0.00 C ATOM 810 C PRO A 48 0.572 6.214 -7.088 1.00 0.00 C ATOM 811 O PRO A 48 0.150 5.110 -6.747 1.00 0.00 O ATOM 812 CB PRO A 48 2.031 7.552 -5.492 1.00 0.00 C ATOM 813 CG PRO A 48 2.221 8.966 -6.019 1.00 0.00 C ATOM 814 CD PRO A 48 2.638 8.867 -7.477 1.00 0.00 C ATOM 0 HA PRO A 48 2.527 5.724 -6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.109 7.470 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.848 7.270 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.297 9.536 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.980 9.491 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.964 9.433 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.639 9.270 -7.631 1.00 0.00 H new ATOM 822 N GLY A 49 -0.124 7.102 -7.784 1.00 0.00 N ATOM 823 CA GLY A 49 -1.485 6.820 -8.207 1.00 0.00 C ATOM 824 C GLY A 49 -1.538 5.573 -9.091 1.00 0.00 C ATOM 825 O GLY A 49 -2.574 4.918 -9.186 1.00 0.00 O ATOM 0 H GLY A 49 0.229 8.017 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.119 6.677 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.884 7.675 -8.753 1.00 0.00 H new ATOM 829 N LEU A 50 -0.407 5.282 -9.716 1.00 0.00 N ATOM 830 CA LEU A 50 -0.311 4.125 -10.590 1.00 0.00 C ATOM 831 C LEU A 50 -0.480 2.851 -9.761 1.00 0.00 C ATOM 832 O LEU A 50 -0.655 1.764 -10.314 1.00 0.00 O ATOM 833 CB LEU A 50 0.990 4.167 -11.395 1.00 0.00 C ATOM 834 CG LEU A 50 2.184 3.436 -10.777 1.00 0.00 C ATOM 835 CD1 LEU A 50 2.065 1.925 -10.975 1.00 0.00 C ATOM 836 CD2 LEU A 50 3.504 3.984 -11.323 1.00 0.00 C ATOM 0 H LEU A 50 0.451 5.827 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.114 4.136 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.799 3.741 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.267 5.210 -11.547 1.00 0.00 H new ATOM 0 HG LEU A 50 2.178 3.620 -9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.926 1.430 -10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.152 1.566 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.031 1.699 -12.041 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.337 3.448 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.534 3.850 -12.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.583 5.045 -11.086 1.00 0.00 H new ATOM 848 N LEU A 51 -0.424 3.023 -8.449 1.00 0.00 N ATOM 849 CA LEU A 51 -0.570 1.900 -7.538 1.00 0.00 C ATOM 850 C LEU A 51 -2.049 1.520 -7.438 1.00 0.00 C ATOM 851 O LEU A 51 -2.404 0.579 -6.729 1.00 0.00 O ATOM 852 CB LEU A 51 0.077 2.217 -6.189 1.00 0.00 C ATOM 853 CG LEU A 51 1.594 2.412 -6.203 1.00 0.00 C ATOM 854 CD1 LEU A 51 2.039 3.331 -5.063 1.00 0.00 C ATOM 855 CD2 LEU A 51 2.321 1.066 -6.169 1.00 0.00 C ATOM 0 H LEU A 51 -0.279 3.924 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.041 1.027 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.382 3.122 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.159 1.409 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 51 1.866 2.902 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.122 3.453 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.561 4.304 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.752 2.891 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.398 1.234 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.047 0.527 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.037 0.477 -7.041 1.00 0.00 H new ATOM 867 N GLU A 52 -2.871 2.270 -8.156 1.00 0.00 N ATOM 868 CA GLU A 52 -4.303 2.024 -8.156 1.00 0.00 C ATOM 869 C GLU A 52 -4.632 0.812 -9.029 1.00 0.00 C ATOM 870 O GLU A 52 -5.783 0.380 -9.091 1.00 0.00 O ATOM 871 CB GLU A 52 -5.073 3.261 -8.622 1.00 0.00 C ATOM 872 CG GLU A 52 -4.937 3.453 -10.134 1.00 0.00 C ATOM 873 CD GLU A 52 -5.451 4.830 -10.560 1.00 0.00 C ATOM 874 OE1 GLU A 52 -6.660 5.075 -10.348 1.00 0.00 O ATOM 875 OE2 GLU A 52 -4.626 5.606 -11.087 1.00 0.00 O ATOM 0 H GLU A 52 -2.573 3.049 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.615 1.807 -7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.126 3.160 -8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.698 4.144 -8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.892 3.345 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.496 2.675 -10.655 1.00 0.00 H new ATOM 882 N THR A 53 -3.602 0.295 -9.683 1.00 0.00 N ATOM 883 CA THR A 53 -3.768 -0.859 -10.550 1.00 0.00 C ATOM 884 C THR A 53 -2.823 -1.984 -10.126 1.00 0.00 C ATOM 885 O THR A 53 -1.665 -1.736 -9.794 1.00 0.00 O ATOM 886 CB THR A 53 -3.556 -0.399 -11.995 1.00 0.00 C ATOM 887 OG1 THR A 53 -2.145 -0.239 -12.104 1.00 0.00 O ATOM 888 CG2 THR A 53 -4.112 1.003 -12.250 1.00 0.00 C ATOM 0 H THR A 53 -2.649 0.654 -9.630 1.00 0.00 H new ATOM 0 HA THR A 53 -4.773 -1.273 -10.470 1.00 0.00 H new ATOM 0 HB THR A 53 -4.031 -1.106 -12.675 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.844 0.449 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.936 1.281 -13.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.183 1.012 -12.049 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.614 1.717 -11.594 1.00 0.00 H new ATOM 896 N SER A 54 -3.351 -3.200 -10.151 1.00 0.00 N ATOM 897 CA SER A 54 -2.569 -4.364 -9.774 1.00 0.00 C ATOM 898 C SER A 54 -1.311 -4.452 -10.638 1.00 0.00 C ATOM 899 O SER A 54 -0.269 -4.916 -10.180 1.00 0.00 O ATOM 900 CB SER A 54 -3.394 -5.646 -9.903 1.00 0.00 C ATOM 901 OG SER A 54 -3.351 -6.177 -11.225 1.00 0.00 O ATOM 0 H SER A 54 -4.312 -3.403 -10.427 1.00 0.00 H new ATOM 0 HA SER A 54 -2.276 -4.256 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.019 -6.391 -9.201 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.429 -5.441 -9.628 1.00 0.00 H new ATOM 0 HG SER A 54 -3.828 -7.033 -11.249 1.00 0.00 H new ATOM 907 N GLU A 55 -1.450 -4.001 -11.877 1.00 0.00 N ATOM 908 CA GLU A 55 -0.336 -4.022 -12.810 1.00 0.00 C ATOM 909 C GLU A 55 0.692 -2.952 -12.436 1.00 0.00 C ATOM 910 O GLU A 55 1.895 -3.172 -12.563 1.00 0.00 O ATOM 911 CB GLU A 55 -0.824 -3.837 -14.249 1.00 0.00 C ATOM 912 CG GLU A 55 0.106 -4.543 -15.238 1.00 0.00 C ATOM 913 CD GLU A 55 -0.439 -5.923 -15.611 1.00 0.00 C ATOM 914 OE1 GLU A 55 -1.665 -6.006 -15.841 1.00 0.00 O ATOM 915 OE2 GLU A 55 0.384 -6.863 -15.660 1.00 0.00 O ATOM 0 H GLU A 55 -2.317 -3.619 -12.256 1.00 0.00 H new ATOM 0 HA GLU A 55 0.147 -4.997 -12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.835 -4.233 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.874 -2.774 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.216 -3.936 -16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.099 -4.646 -14.800 1.00 0.00 H new ATOM 922 N GLY A 56 0.179 -1.818 -11.985 1.00 0.00 N ATOM 923 CA GLY A 56 1.037 -0.713 -11.592 1.00 0.00 C ATOM 924 C GLY A 56 1.916 -1.099 -10.400 1.00 0.00 C ATOM 925 O GLY A 56 3.120 -0.848 -10.407 1.00 0.00 O ATOM 0 H GLY A 56 -0.820 -1.640 -11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.666 -0.419 -12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.426 0.152 -11.333 1.00 0.00 H new ATOM 929 N CYS A 57 1.280 -1.702 -9.407 1.00 0.00 N ATOM 930 CA CYS A 57 1.989 -2.124 -8.211 1.00 0.00 C ATOM 931 C CYS A 57 2.919 -3.279 -8.587 1.00 0.00 C ATOM 932 O CYS A 57 4.036 -3.373 -8.080 1.00 0.00 O ATOM 933 CB CYS A 57 1.025 -2.510 -7.088 1.00 0.00 C ATOM 934 SG CYS A 57 0.069 -3.995 -7.567 1.00 0.00 S ATOM 0 H CYS A 57 0.281 -1.909 -9.406 1.00 0.00 H new ATOM 0 HA CYS A 57 2.580 -1.294 -7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.581 -2.706 -6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.347 -1.683 -6.879 1.00 0.00 H new ATOM 0 HG CYS A 57 0.198 -4.201 -8.844 1.00 0.00 H new ATOM 940 N ARG A 58 2.425 -4.130 -9.474 1.00 0.00 N ATOM 941 CA ARG A 58 3.197 -5.275 -9.925 1.00 0.00 C ATOM 942 C ARG A 58 4.448 -4.811 -10.675 1.00 0.00 C ATOM 943 O ARG A 58 5.514 -5.408 -10.541 1.00 0.00 O ATOM 944 CB ARG A 58 2.366 -6.175 -10.841 1.00 0.00 C ATOM 945 CG ARG A 58 3.100 -7.485 -11.137 1.00 0.00 C ATOM 946 CD ARG A 58 2.512 -8.176 -12.369 1.00 0.00 C ATOM 947 NE ARG A 58 2.866 -9.613 -12.360 1.00 0.00 N ATOM 948 CZ ARG A 58 4.084 -10.089 -12.658 1.00 0.00 C ATOM 949 NH1 ARG A 58 5.069 -9.245 -12.991 1.00 0.00 N ATOM 950 NH2 ARG A 58 4.313 -11.408 -12.623 1.00 0.00 N ATOM 0 H ARG A 58 1.498 -4.049 -9.893 1.00 0.00 H new ATOM 0 HA ARG A 58 3.489 -5.845 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.406 -6.390 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.155 -5.654 -11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.159 -7.284 -11.299 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.030 -8.148 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.428 -8.060 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.891 -7.705 -13.276 1.00 0.00 H new ATOM 0 HE ARG A 58 2.138 -10.283 -12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.893 -8.241 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.995 -9.606 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.561 -12.050 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.239 -11.771 -12.849 1.00 0.00 H new ATOM 964 N GLN A 59 4.274 -3.749 -11.448 1.00 0.00 N ATOM 965 CA GLN A 59 5.375 -3.198 -12.221 1.00 0.00 C ATOM 966 C GLN A 59 6.426 -2.593 -11.287 1.00 0.00 C ATOM 967 O GLN A 59 7.618 -2.848 -11.444 1.00 0.00 O ATOM 968 CB GLN A 59 4.872 -2.160 -13.227 1.00 0.00 C ATOM 969 CG GLN A 59 5.998 -1.715 -14.163 1.00 0.00 C ATOM 970 CD GLN A 59 5.733 -2.178 -15.597 1.00 0.00 C ATOM 971 OE1 GLN A 59 5.702 -3.359 -15.900 1.00 0.00 O ATOM 972 NE2 GLN A 59 5.545 -1.184 -16.460 1.00 0.00 N ATOM 0 H GLN A 59 3.388 -3.256 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 59 5.840 -4.006 -12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.053 -2.581 -13.811 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.473 -1.296 -12.695 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.089 -0.629 -14.138 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.947 -2.122 -13.815 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.584 -0.216 -16.140 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.362 -1.389 -17.442 1.00 0.00 H new ATOM 981 N ILE A 60 5.945 -1.802 -10.340 1.00 0.00 N ATOM 982 CA ILE A 60 6.828 -1.159 -9.382 1.00 0.00 C ATOM 983 C ILE A 60 7.579 -2.230 -8.588 1.00 0.00 C ATOM 984 O ILE A 60 8.802 -2.175 -8.468 1.00 0.00 O ATOM 985 CB ILE A 60 6.046 -0.179 -8.505 1.00 0.00 C ATOM 986 CG1 ILE A 60 5.420 0.933 -9.350 1.00 0.00 C ATOM 987 CG2 ILE A 60 6.926 0.378 -7.386 1.00 0.00 C ATOM 988 CD1 ILE A 60 4.206 1.541 -8.644 1.00 0.00 C ATOM 0 H ILE A 60 4.955 -1.592 -10.215 1.00 0.00 H new ATOM 0 HA ILE A 60 7.578 -0.560 -9.899 1.00 0.00 H new ATOM 0 HB ILE A 60 5.229 -0.722 -8.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.160 1.710 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.119 0.533 -10.319 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.346 1.072 -6.778 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.283 -0.441 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.778 0.901 -7.820 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.780 2.328 -9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.457 0.767 -8.476 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.515 1.961 -7.687 1.00 0.00 H new ATOM 1000 N LEU A 61 6.816 -3.179 -8.067 1.00 0.00 N ATOM 1001 CA LEU A 61 7.394 -4.261 -7.288 1.00 0.00 C ATOM 1002 C LEU A 61 8.422 -5.006 -8.142 1.00 0.00 C ATOM 1003 O LEU A 61 9.450 -5.451 -7.635 1.00 0.00 O ATOM 1004 CB LEU A 61 6.293 -5.162 -6.724 1.00 0.00 C ATOM 1005 CG LEU A 61 6.766 -6.387 -5.938 1.00 0.00 C ATOM 1006 CD1 LEU A 61 6.758 -6.108 -4.434 1.00 0.00 C ATOM 1007 CD2 LEU A 61 5.939 -7.622 -6.297 1.00 0.00 C ATOM 0 H LEU A 61 5.802 -3.221 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 61 7.925 -3.866 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.657 -4.561 -6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.671 -5.504 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 61 7.797 -6.598 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.098 -6.994 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.424 -5.273 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.746 -5.858 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.296 -8.478 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.891 -7.439 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.040 -7.830 -7.362 1.00 0.00 H new ATOM 1019 N GLY A 62 8.109 -5.118 -9.424 1.00 0.00 N ATOM 1020 CA GLY A 62 8.992 -5.802 -10.354 1.00 0.00 C ATOM 1021 C GLY A 62 10.204 -4.933 -10.697 1.00 0.00 C ATOM 1022 O GLY A 62 11.251 -5.448 -11.086 1.00 0.00 O ATOM 0 H GLY A 62 7.256 -4.746 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.326 -6.744 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.447 -6.048 -11.265 1.00 0.00 H new ATOM 1026 N GLN A 63 10.022 -3.630 -10.539 1.00 0.00 N ATOM 1027 CA GLN A 63 11.087 -2.684 -10.828 1.00 0.00 C ATOM 1028 C GLN A 63 12.143 -2.721 -9.720 1.00 0.00 C ATOM 1029 O GLN A 63 13.340 -2.672 -9.997 1.00 0.00 O ATOM 1030 CB GLN A 63 10.532 -1.270 -11.010 1.00 0.00 C ATOM 1031 CG GLN A 63 11.538 -0.376 -11.736 1.00 0.00 C ATOM 1032 CD GLN A 63 11.395 1.082 -11.293 1.00 0.00 C ATOM 1033 OE1 GLN A 63 12.071 1.553 -10.393 1.00 0.00 O ATOM 1034 NE2 GLN A 63 10.481 1.766 -11.972 1.00 0.00 N ATOM 0 H GLN A 63 9.153 -3.207 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 63 11.561 -2.975 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.601 -1.311 -11.576 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.294 -0.841 -10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.551 -0.724 -11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.385 -0.449 -12.813 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.950 1.310 -12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.310 2.747 -11.751 1.00 0.00 H new ATOM 1043 N LEU A 64 11.661 -2.807 -8.489 1.00 0.00 N ATOM 1044 CA LEU A 64 12.547 -2.850 -7.340 1.00 0.00 C ATOM 1045 C LEU A 64 12.862 -4.308 -6.998 1.00 0.00 C ATOM 1046 O LEU A 64 13.781 -4.585 -6.230 1.00 0.00 O ATOM 1047 CB LEU A 64 11.950 -2.060 -6.172 1.00 0.00 C ATOM 1048 CG LEU A 64 10.610 -2.566 -5.636 1.00 0.00 C ATOM 1049 CD1 LEU A 64 10.792 -3.860 -4.840 1.00 0.00 C ATOM 1050 CD2 LEU A 64 9.903 -1.485 -4.817 1.00 0.00 C ATOM 0 H LEU A 64 10.667 -2.848 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 64 13.495 -2.364 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.670 -2.060 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.825 -1.024 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 64 9.968 -2.797 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.824 -4.199 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.222 -4.626 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.459 -3.678 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.953 -1.871 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.531 -1.199 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.721 -0.613 -5.445 1.00 0.00 H new ATOM 1062 N GLN A 65 12.079 -5.202 -7.586 1.00 0.00 N ATOM 1063 CA GLN A 65 12.264 -6.625 -7.353 1.00 0.00 C ATOM 1064 C GLN A 65 13.754 -6.968 -7.312 1.00 0.00 C ATOM 1065 O GLN A 65 14.223 -7.601 -6.368 1.00 0.00 O ATOM 1066 CB GLN A 65 11.540 -7.452 -8.417 1.00 0.00 C ATOM 1067 CG GLN A 65 10.343 -8.192 -7.816 1.00 0.00 C ATOM 1068 CD GLN A 65 10.789 -9.484 -7.126 1.00 0.00 C ATOM 1069 OE1 GLN A 65 11.925 -9.914 -7.230 1.00 0.00 O ATOM 1070 NE2 GLN A 65 9.832 -10.076 -6.416 1.00 0.00 N ATOM 0 H GLN A 65 11.317 -4.969 -8.222 1.00 0.00 H new ATOM 0 HA GLN A 65 11.828 -6.875 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.202 -6.799 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.232 -8.170 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.836 -7.548 -7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.623 -8.424 -8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.901 -9.662 -6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.030 -10.943 -5.917 1.00 0.00 H new ATOM 1079 N PRO A 66 14.475 -6.523 -8.377 1.00 0.00 N ATOM 1080 CA PRO A 66 15.903 -6.777 -8.471 1.00 0.00 C ATOM 1081 C PRO A 66 16.685 -5.870 -7.518 1.00 0.00 C ATOM 1082 O PRO A 66 17.762 -6.237 -7.051 1.00 0.00 O ATOM 1083 CB PRO A 66 16.249 -6.540 -9.932 1.00 0.00 C ATOM 1084 CG PRO A 66 15.105 -5.718 -10.503 1.00 0.00 C ATOM 1085 CD PRO A 66 13.953 -5.771 -9.513 1.00 0.00 C ATOM 0 HA PRO A 66 16.171 -7.790 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.197 -6.010 -10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.356 -7.484 -10.466 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.420 -4.688 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.796 -6.114 -11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.640 -4.770 -9.215 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.081 -6.262 -9.946 1.00 0.00 H new ATOM 1093 N SER A 67 16.112 -4.704 -7.257 1.00 0.00 N ATOM 1094 CA SER A 67 16.742 -3.743 -6.368 1.00 0.00 C ATOM 1095 C SER A 67 16.862 -4.332 -4.962 1.00 0.00 C ATOM 1096 O SER A 67 17.572 -3.789 -4.116 1.00 0.00 O ATOM 1097 CB SER A 67 15.955 -2.431 -6.329 1.00 0.00 C ATOM 1098 OG SER A 67 16.176 -1.641 -7.494 1.00 0.00 O ATOM 0 H SER A 67 15.218 -4.403 -7.646 1.00 0.00 H new ATOM 0 HA SER A 67 17.739 -3.526 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.891 -2.649 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.243 -1.862 -5.445 1.00 0.00 H new ATOM 0 HG SER A 67 15.655 -0.813 -7.432 1.00 0.00 H new ATOM 1104 N LEU A 68 16.158 -5.434 -4.754 1.00 0.00 N ATOM 1105 CA LEU A 68 16.177 -6.103 -3.464 1.00 0.00 C ATOM 1106 C LEU A 68 17.557 -6.725 -3.237 1.00 0.00 C ATOM 1107 O LEU A 68 18.035 -6.789 -2.106 1.00 0.00 O ATOM 1108 CB LEU A 68 15.027 -7.106 -3.363 1.00 0.00 C ATOM 1109 CG LEU A 68 13.647 -6.517 -3.063 1.00 0.00 C ATOM 1110 CD1 LEU A 68 12.552 -7.274 -3.817 1.00 0.00 C ATOM 1111 CD2 LEU A 68 13.383 -6.478 -1.557 1.00 0.00 C ATOM 0 H LEU A 68 15.570 -5.881 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 68 16.014 -5.385 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.969 -7.657 -4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.269 -7.829 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 68 13.631 -5.487 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.581 -6.835 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.735 -7.206 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.558 -8.321 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.396 -6.055 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.426 -7.490 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.139 -5.861 -1.071 1.00 0.00 H new ATOM 1123 N GLN A 69 18.158 -7.167 -4.331 1.00 0.00 N ATOM 1124 CA GLN A 69 19.473 -7.782 -4.266 1.00 0.00 C ATOM 1125 C GLN A 69 20.335 -7.082 -3.213 1.00 0.00 C ATOM 1126 O GLN A 69 20.702 -7.684 -2.205 1.00 0.00 O ATOM 1127 CB GLN A 69 20.156 -7.762 -5.635 1.00 0.00 C ATOM 1128 CG GLN A 69 21.041 -8.997 -5.824 1.00 0.00 C ATOM 1129 CD GLN A 69 22.219 -8.690 -6.752 1.00 0.00 C ATOM 1130 OE1 GLN A 69 22.905 -7.690 -6.616 1.00 0.00 O ATOM 1131 NE2 GLN A 69 22.414 -9.603 -7.698 1.00 0.00 N ATOM 0 H GLN A 69 17.759 -7.112 -5.268 1.00 0.00 H new ATOM 0 HA GLN A 69 19.351 -8.825 -3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 69 19.402 -7.727 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 69 20.759 -6.859 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 69 21.414 -9.333 -4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 69 20.449 -9.813 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 69 21.802 -10.417 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 69 23.176 -9.490 -8.367 1.00 0.00 H new ATOM 1140 N THR A 70 20.633 -5.819 -3.484 1.00 0.00 N ATOM 1141 CA THR A 70 21.445 -5.030 -2.572 1.00 0.00 C ATOM 1142 C THR A 70 20.638 -3.852 -2.023 1.00 0.00 C ATOM 1143 O THR A 70 21.168 -2.756 -1.857 1.00 0.00 O ATOM 1144 CB THR A 70 22.712 -4.606 -3.315 1.00 0.00 C ATOM 1145 OG1 THR A 70 23.423 -3.816 -2.365 1.00 0.00 O ATOM 1146 CG2 THR A 70 22.421 -3.634 -4.462 1.00 0.00 C ATOM 0 H THR A 70 20.327 -5.323 -4.321 1.00 0.00 H new ATOM 0 HA THR A 70 21.742 -5.613 -1.700 1.00 0.00 H new ATOM 0 HB THR A 70 23.216 -5.490 -3.706 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.814 -3.164 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 70 23.354 -3.365 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 70 21.754 -4.109 -5.181 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.948 -2.735 -4.066 1.00 0.00 H new ATOM 1154 N GLY A 71 19.367 -4.120 -1.756 1.00 0.00 N ATOM 1155 CA GLY A 71 18.482 -3.095 -1.230 1.00 0.00 C ATOM 1156 C GLY A 71 18.680 -2.921 0.277 1.00 0.00 C ATOM 1157 O GLY A 71 19.413 -3.687 0.904 1.00 0.00 O ATOM 0 H GLY A 71 18.930 -5.031 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.673 -2.149 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.446 -3.363 -1.436 1.00 0.00 H new ATOM 1161 N SER A 72 18.014 -1.912 0.817 1.00 0.00 N ATOM 1162 CA SER A 72 18.107 -1.628 2.239 1.00 0.00 C ATOM 1163 C SER A 72 16.961 -2.314 2.986 1.00 0.00 C ATOM 1164 O SER A 72 16.010 -2.789 2.368 1.00 0.00 O ATOM 1165 CB SER A 72 18.085 -0.121 2.503 1.00 0.00 C ATOM 1166 OG SER A 72 16.765 0.411 2.449 1.00 0.00 O ATOM 0 H SER A 72 17.407 -1.280 0.295 1.00 0.00 H new ATOM 0 HA SER A 72 19.057 -2.020 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.518 0.082 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.710 0.385 1.767 1.00 0.00 H new ATOM 0 HG SER A 72 16.793 1.375 2.624 1.00 0.00 H new ATOM 1172 N GLU A 73 17.090 -2.343 4.304 1.00 0.00 N ATOM 1173 CA GLU A 73 16.078 -2.963 5.142 1.00 0.00 C ATOM 1174 C GLU A 73 14.720 -2.299 4.912 1.00 0.00 C ATOM 1175 O GLU A 73 13.700 -2.980 4.811 1.00 0.00 O ATOM 1176 CB GLU A 73 16.475 -2.902 6.618 1.00 0.00 C ATOM 1177 CG GLU A 73 15.520 -3.731 7.477 1.00 0.00 C ATOM 1178 CD GLU A 73 15.671 -3.383 8.960 1.00 0.00 C ATOM 1179 OE1 GLU A 73 16.798 -3.561 9.472 1.00 0.00 O ATOM 1180 OE2 GLU A 73 14.659 -2.946 9.547 1.00 0.00 O ATOM 0 H GLU A 73 17.880 -1.947 4.813 1.00 0.00 H new ATOM 0 HA GLU A 73 15.999 -4.014 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.493 -3.271 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.469 -1.866 6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.492 -3.551 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.719 -4.792 7.327 1.00 0.00 H new ATOM 1187 N GLU A 74 14.748 -0.976 4.835 1.00 0.00 N ATOM 1188 CA GLU A 74 13.531 -0.213 4.619 1.00 0.00 C ATOM 1189 C GLU A 74 12.974 -0.487 3.221 1.00 0.00 C ATOM 1190 O GLU A 74 11.771 -0.687 3.056 1.00 0.00 O ATOM 1191 CB GLU A 74 13.779 1.283 4.826 1.00 0.00 C ATOM 1192 CG GLU A 74 13.006 1.804 6.041 1.00 0.00 C ATOM 1193 CD GLU A 74 13.441 1.080 7.318 1.00 0.00 C ATOM 1194 OE1 GLU A 74 14.463 1.510 7.894 1.00 0.00 O ATOM 1195 OE2 GLU A 74 12.740 0.115 7.689 1.00 0.00 O ATOM 0 H GLU A 74 15.595 -0.414 4.918 1.00 0.00 H new ATOM 0 HA GLU A 74 12.790 -0.531 5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.845 1.463 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.476 1.832 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.173 2.875 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.937 1.663 5.884 1.00 0.00 H new ATOM 1202 N LEU A 75 13.874 -0.485 2.249 1.00 0.00 N ATOM 1203 CA LEU A 75 13.488 -0.732 0.870 1.00 0.00 C ATOM 1204 C LEU A 75 12.841 -2.115 0.766 1.00 0.00 C ATOM 1205 O LEU A 75 11.852 -2.290 0.057 1.00 0.00 O ATOM 1206 CB LEU A 75 14.684 -0.541 -0.064 1.00 0.00 C ATOM 1207 CG LEU A 75 14.417 -0.774 -1.553 1.00 0.00 C ATOM 1208 CD1 LEU A 75 14.975 0.373 -2.397 1.00 0.00 C ATOM 1209 CD2 LEU A 75 14.961 -2.133 -2.001 1.00 0.00 C ATOM 0 H LEU A 75 14.870 -0.316 2.389 1.00 0.00 H new ATOM 0 HA LEU A 75 12.742 -0.005 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.060 0.474 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.478 -1.217 0.252 1.00 0.00 H new ATOM 0 HG LEU A 75 13.338 -0.791 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 75 14.772 0.182 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.500 1.308 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.051 0.448 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.758 -2.274 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 16.037 -2.169 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.476 -2.925 -1.431 1.00 0.00 H new ATOM 1221 N ARG A 76 13.427 -3.063 1.482 1.00 0.00 N ATOM 1222 CA ARG A 76 12.921 -4.424 1.479 1.00 0.00 C ATOM 1223 C ARG A 76 11.493 -4.462 2.029 1.00 0.00 C ATOM 1224 O ARG A 76 10.600 -5.034 1.408 1.00 0.00 O ATOM 1225 CB ARG A 76 13.809 -5.344 2.320 1.00 0.00 C ATOM 1226 CG ARG A 76 13.958 -6.716 1.660 1.00 0.00 C ATOM 1227 CD ARG A 76 14.286 -7.791 2.698 1.00 0.00 C ATOM 1228 NE ARG A 76 14.203 -9.134 2.081 1.00 0.00 N ATOM 1229 CZ ARG A 76 14.300 -10.282 2.763 1.00 0.00 C ATOM 1230 NH1 ARG A 76 14.482 -10.259 4.092 1.00 0.00 N ATOM 1231 NH2 ARG A 76 14.213 -11.455 2.120 1.00 0.00 N ATOM 0 H ARG A 76 14.248 -2.915 2.069 1.00 0.00 H new ATOM 0 HA ARG A 76 12.926 -4.777 0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.791 -4.890 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.379 -5.460 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.035 -6.976 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.747 -6.678 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.286 -7.627 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.592 -7.723 3.535 1.00 0.00 H new ATOM 0 HE ARG A 76 14.063 -9.188 1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.546 -9.367 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.556 -11.133 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.073 -11.474 1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.287 -12.329 2.641 1.00 0.00 H new ATOM 1245 N SER A 77 11.325 -3.845 3.189 1.00 0.00 N ATOM 1246 CA SER A 77 10.022 -3.799 3.830 1.00 0.00 C ATOM 1247 C SER A 77 8.987 -3.210 2.870 1.00 0.00 C ATOM 1248 O SER A 77 7.822 -3.605 2.888 1.00 0.00 O ATOM 1249 CB SER A 77 10.071 -2.983 5.123 1.00 0.00 C ATOM 1250 OG SER A 77 9.051 -3.370 6.039 1.00 0.00 O ATOM 0 H SER A 77 12.070 -3.373 3.702 1.00 0.00 H new ATOM 0 HA SER A 77 9.732 -4.818 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.046 -3.108 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.964 -1.924 4.887 1.00 0.00 H new ATOM 0 HG SER A 77 9.118 -2.826 6.852 1.00 0.00 H new ATOM 1256 N LEU A 78 9.448 -2.274 2.054 1.00 0.00 N ATOM 1257 CA LEU A 78 8.577 -1.626 1.090 1.00 0.00 C ATOM 1258 C LEU A 78 8.169 -2.638 0.017 1.00 0.00 C ATOM 1259 O LEU A 78 6.993 -2.740 -0.330 1.00 0.00 O ATOM 1260 CB LEU A 78 9.243 -0.368 0.526 1.00 0.00 C ATOM 1261 CG LEU A 78 8.439 0.928 0.648 1.00 0.00 C ATOM 1262 CD1 LEU A 78 9.354 2.113 0.962 1.00 0.00 C ATOM 1263 CD2 LEU A 78 7.597 1.170 -0.606 1.00 0.00 C ATOM 0 H LEU A 78 10.415 -1.949 2.041 1.00 0.00 H new ATOM 0 HA LEU A 78 7.661 -1.285 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.198 -0.229 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.462 -0.538 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 78 7.748 0.825 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.758 3.022 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.872 1.933 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.086 2.230 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.035 2.097 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.251 1.245 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.904 0.340 -0.744 1.00 0.00 H new ATOM 1275 N TYR A 79 9.163 -3.360 -0.478 1.00 0.00 N ATOM 1276 CA TYR A 79 8.922 -4.362 -1.504 1.00 0.00 C ATOM 1277 C TYR A 79 7.873 -5.377 -1.043 1.00 0.00 C ATOM 1278 O TYR A 79 6.992 -5.756 -1.812 1.00 0.00 O ATOM 1279 CB TYR A 79 10.256 -5.082 -1.712 1.00 0.00 C ATOM 1280 CG TYR A 79 10.114 -6.516 -2.226 1.00 0.00 C ATOM 1281 CD1 TYR A 79 9.748 -6.746 -3.536 1.00 0.00 C ATOM 1282 CD2 TYR A 79 10.354 -7.579 -1.379 1.00 0.00 C ATOM 1283 CE1 TYR A 79 9.616 -8.095 -4.021 1.00 0.00 C ATOM 1284 CE2 TYR A 79 10.221 -8.929 -1.864 1.00 0.00 C ATOM 1285 CZ TYR A 79 9.859 -9.120 -3.160 1.00 0.00 C ATOM 1286 OH TYR A 79 9.733 -10.395 -3.618 1.00 0.00 O ATOM 0 H TYR A 79 10.137 -3.272 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 79 8.553 -3.896 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 79 10.859 -4.512 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.800 -5.097 -0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.560 -5.914 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.641 -7.399 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.331 -8.289 -5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.405 -9.770 -1.212 1.00 0.00 H new ATOM 0 HH TYR A 79 9.938 -11.024 -2.895 1.00 0.00 H new ATOM 1296 N ASN A 80 8.005 -5.788 0.209 1.00 0.00 N ATOM 1297 CA ASN A 80 7.081 -6.753 0.781 1.00 0.00 C ATOM 1298 C ASN A 80 5.690 -6.122 0.881 1.00 0.00 C ATOM 1299 O ASN A 80 4.689 -6.763 0.565 1.00 0.00 O ATOM 1300 CB ASN A 80 7.515 -7.165 2.189 1.00 0.00 C ATOM 1301 CG ASN A 80 6.579 -8.230 2.761 1.00 0.00 C ATOM 1302 OD1 ASN A 80 5.375 -8.204 2.567 1.00 0.00 O ATOM 1303 ND2 ASN A 80 7.196 -9.164 3.478 1.00 0.00 N ATOM 0 H ASN A 80 8.738 -5.471 0.844 1.00 0.00 H new ATOM 0 HA ASN A 80 7.069 -7.632 0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.535 -7.549 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.521 -6.292 2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.658 -9.918 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.208 -9.127 3.601 1.00 0.00 H new ATOM 1310 N THR A 81 5.672 -4.872 1.323 1.00 0.00 N ATOM 1311 CA THR A 81 4.422 -4.148 1.469 1.00 0.00 C ATOM 1312 C THR A 81 3.718 -4.021 0.117 1.00 0.00 C ATOM 1313 O THR A 81 2.501 -4.180 0.029 1.00 0.00 O ATOM 1314 CB THR A 81 4.730 -2.799 2.122 1.00 0.00 C ATOM 1315 OG1 THR A 81 5.404 -3.144 3.330 1.00 0.00 O ATOM 1316 CG2 THR A 81 3.468 -2.075 2.594 1.00 0.00 C ATOM 0 H THR A 81 6.504 -4.343 1.585 1.00 0.00 H new ATOM 0 HA THR A 81 3.727 -4.686 2.113 1.00 0.00 H new ATOM 0 HB THR A 81 5.267 -2.168 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.365 -2.982 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.743 -1.124 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.813 -1.893 1.742 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.948 -2.691 3.327 1.00 0.00 H new ATOM 1324 N ILE A 82 4.513 -3.738 -0.904 1.00 0.00 N ATOM 1325 CA ILE A 82 3.981 -3.588 -2.248 1.00 0.00 C ATOM 1326 C ILE A 82 3.418 -4.930 -2.721 1.00 0.00 C ATOM 1327 O ILE A 82 2.364 -4.976 -3.354 1.00 0.00 O ATOM 1328 CB ILE A 82 5.042 -3.003 -3.182 1.00 0.00 C ATOM 1329 CG1 ILE A 82 5.482 -1.615 -2.712 1.00 0.00 C ATOM 1330 CG2 ILE A 82 4.549 -2.988 -4.630 1.00 0.00 C ATOM 1331 CD1 ILE A 82 6.786 -1.194 -3.391 1.00 0.00 C ATOM 0 H ILE A 82 5.522 -3.609 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 82 3.156 -2.875 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 82 5.920 -3.648 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.701 -0.888 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.616 -1.619 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.322 -2.567 -5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.326 -4.006 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.647 -2.380 -4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.076 -0.204 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.571 -1.910 -3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.642 -1.167 -4.471 1.00 0.00 H new ATOM 1343 N ALA A 83 4.145 -5.989 -2.395 1.00 0.00 N ATOM 1344 CA ALA A 83 3.731 -7.328 -2.779 1.00 0.00 C ATOM 1345 C ALA A 83 2.338 -7.608 -2.212 1.00 0.00 C ATOM 1346 O ALA A 83 1.452 -8.071 -2.931 1.00 0.00 O ATOM 1347 CB ALA A 83 4.771 -8.341 -2.298 1.00 0.00 C ATOM 0 H ALA A 83 5.018 -5.947 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 83 3.669 -7.415 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.461 -9.345 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.736 -8.115 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.859 -8.285 -1.213 1.00 0.00 H new ATOM 1353 N VAL A 84 2.185 -7.315 -0.929 1.00 0.00 N ATOM 1354 CA VAL A 84 0.915 -7.529 -0.258 1.00 0.00 C ATOM 1355 C VAL A 84 -0.163 -6.677 -0.930 1.00 0.00 C ATOM 1356 O VAL A 84 -1.291 -7.130 -1.118 1.00 0.00 O ATOM 1357 CB VAL A 84 1.058 -7.242 1.238 1.00 0.00 C ATOM 1358 CG1 VAL A 84 -0.288 -6.860 1.854 1.00 0.00 C ATOM 1359 CG2 VAL A 84 1.677 -8.435 1.969 1.00 0.00 C ATOM 0 H VAL A 84 2.921 -6.931 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 84 0.608 -8.571 -0.347 1.00 0.00 H new ATOM 0 HB VAL A 84 1.732 -6.393 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.158 -6.661 2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.673 -5.967 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.994 -7.680 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.767 -8.204 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.040 -9.310 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.665 -8.641 1.557 1.00 0.00 H new ATOM 1369 N LEU A 85 0.222 -5.457 -1.274 1.00 0.00 N ATOM 1370 CA LEU A 85 -0.697 -4.536 -1.921 1.00 0.00 C ATOM 1371 C LEU A 85 -1.197 -5.156 -3.228 1.00 0.00 C ATOM 1372 O LEU A 85 -2.389 -5.106 -3.526 1.00 0.00 O ATOM 1373 CB LEU A 85 -0.043 -3.165 -2.102 1.00 0.00 C ATOM 1374 CG LEU A 85 -0.823 -2.156 -2.948 1.00 0.00 C ATOM 1375 CD1 LEU A 85 -1.809 -1.365 -2.087 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.127 -1.239 -3.722 1.00 0.00 C ATOM 0 H LEU A 85 1.158 -5.085 -1.117 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.571 -4.366 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.123 -2.731 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.937 -3.309 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.409 -2.707 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.350 -0.655 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.516 -2.051 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.264 -0.825 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.453 -0.532 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.758 -0.693 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.754 -1.838 -4.383 1.00 0.00 H new ATOM 1388 N TYR A 86 -0.260 -5.726 -3.972 1.00 0.00 N ATOM 1389 CA TYR A 86 -0.590 -6.355 -5.240 1.00 0.00 C ATOM 1390 C TYR A 86 -1.554 -7.525 -5.036 1.00 0.00 C ATOM 1391 O TYR A 86 -2.510 -7.685 -5.794 1.00 0.00 O ATOM 1392 CB TYR A 86 0.729 -6.888 -5.801 1.00 0.00 C ATOM 1393 CG TYR A 86 0.557 -7.955 -6.885 1.00 0.00 C ATOM 1394 CD1 TYR A 86 0.363 -7.579 -8.199 1.00 0.00 C ATOM 1395 CD2 TYR A 86 0.596 -9.293 -6.548 1.00 0.00 C ATOM 1396 CE1 TYR A 86 0.201 -8.584 -9.218 1.00 0.00 C ATOM 1397 CE2 TYR A 86 0.435 -10.297 -7.568 1.00 0.00 C ATOM 1398 CZ TYR A 86 0.246 -9.893 -8.852 1.00 0.00 C ATOM 1399 OH TYR A 86 0.093 -10.841 -9.815 1.00 0.00 O ATOM 0 H TYR A 86 0.728 -5.765 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.071 -5.642 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.300 -6.056 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.317 -7.306 -4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.333 -6.532 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.747 -9.587 -5.520 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.047 -8.304 -10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 86 0.464 -11.347 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 86 0.148 -11.731 -9.409 1.00 0.00 H new ATOM 1409 N CYS A 87 -1.270 -8.312 -4.009 1.00 0.00 N ATOM 1410 CA CYS A 87 -2.101 -9.463 -3.696 1.00 0.00 C ATOM 1411 C CYS A 87 -3.529 -8.972 -3.449 1.00 0.00 C ATOM 1412 O CYS A 87 -4.489 -9.595 -3.900 1.00 0.00 O ATOM 1413 CB CYS A 87 -1.553 -10.249 -2.502 1.00 0.00 C ATOM 1414 SG CYS A 87 -0.638 -11.720 -3.088 1.00 0.00 S ATOM 0 H CYS A 87 -0.476 -8.176 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.097 -10.157 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.895 -9.614 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.372 -10.555 -1.851 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.175 -12.378 -2.067 1.00 0.00 H new ATOM 1420 N VAL A 88 -3.624 -7.861 -2.735 1.00 0.00 N ATOM 1421 CA VAL A 88 -4.918 -7.279 -2.423 1.00 0.00 C ATOM 1422 C VAL A 88 -5.610 -6.859 -3.722 1.00 0.00 C ATOM 1423 O VAL A 88 -6.810 -7.073 -3.887 1.00 0.00 O ATOM 1424 CB VAL A 88 -4.748 -6.123 -1.436 1.00 0.00 C ATOM 1425 CG1 VAL A 88 -6.098 -5.701 -0.850 1.00 0.00 C ATOM 1426 CG2 VAL A 88 -3.760 -6.490 -0.327 1.00 0.00 C ATOM 0 H VAL A 88 -2.825 -7.348 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.559 -8.013 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.338 -5.273 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.950 -4.878 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.759 -5.380 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.547 -6.545 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.657 -5.651 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.129 -7.361 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.789 -6.720 -0.766 1.00 0.00 H new ATOM 1436 N HIS A 89 -4.823 -6.270 -4.610 1.00 0.00 N ATOM 1437 CA HIS A 89 -5.345 -5.818 -5.888 1.00 0.00 C ATOM 1438 C HIS A 89 -5.901 -7.012 -6.666 1.00 0.00 C ATOM 1439 O HIS A 89 -6.895 -6.884 -7.381 1.00 0.00 O ATOM 1440 CB HIS A 89 -4.278 -5.047 -6.669 1.00 0.00 C ATOM 1441 CG HIS A 89 -3.969 -3.682 -6.102 1.00 0.00 C ATOM 1442 ND1 HIS A 89 -4.872 -2.634 -6.138 1.00 0.00 N ATOM 1443 CD2 HIS A 89 -2.849 -3.206 -5.486 1.00 0.00 C ATOM 1444 CE1 HIS A 89 -4.310 -1.578 -5.567 1.00 0.00 C ATOM 1445 NE2 HIS A 89 -3.056 -1.935 -5.164 1.00 0.00 N ATOM 0 H HIS A 89 -3.828 -6.095 -4.470 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.167 -5.121 -5.723 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.361 -5.636 -6.691 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.609 -4.934 -7.701 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -5.810 -2.668 -6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.947 -3.768 -5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.764 -0.606 -5.443 1.00 0.00 H new ATOM 1454 N GLN A 90 -5.237 -8.146 -6.502 1.00 0.00 N ATOM 1455 CA GLN A 90 -5.653 -9.362 -7.180 1.00 0.00 C ATOM 1456 C GLN A 90 -6.704 -10.101 -6.348 1.00 0.00 C ATOM 1457 O GLN A 90 -7.148 -11.185 -6.724 1.00 0.00 O ATOM 1458 CB GLN A 90 -4.453 -10.264 -7.474 1.00 0.00 C ATOM 1459 CG GLN A 90 -4.174 -10.335 -8.976 1.00 0.00 C ATOM 1460 CD GLN A 90 -3.712 -8.979 -9.512 1.00 0.00 C ATOM 1461 OE1 GLN A 90 -4.458 -8.015 -9.563 1.00 0.00 O ATOM 1462 NE2 GLN A 90 -2.442 -8.958 -9.909 1.00 0.00 N ATOM 0 H GLN A 90 -4.413 -8.249 -5.909 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.101 -9.087 -8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.573 -9.885 -6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.644 -11.266 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.410 -11.087 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.075 -10.650 -9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.872 -9.801 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.039 -8.099 -10.283 1.00 0.00 H new ATOM 1471 N ARG A 91 -7.071 -9.484 -5.235 1.00 0.00 N ATOM 1472 CA ARG A 91 -8.061 -10.070 -4.346 1.00 0.00 C ATOM 1473 C ARG A 91 -7.538 -11.383 -3.762 1.00 0.00 C ATOM 1474 O ARG A 91 -8.210 -12.411 -3.838 1.00 0.00 O ATOM 1475 CB ARG A 91 -9.374 -10.335 -5.085 1.00 0.00 C ATOM 1476 CG ARG A 91 -10.314 -9.132 -4.982 1.00 0.00 C ATOM 1477 CD ARG A 91 -10.655 -8.582 -6.369 1.00 0.00 C ATOM 1478 NE ARG A 91 -11.777 -9.350 -6.954 1.00 0.00 N ATOM 1479 CZ ARG A 91 -12.254 -9.156 -8.192 1.00 0.00 C ATOM 1480 NH1 ARG A 91 -11.710 -8.220 -8.980 1.00 0.00 N ATOM 1481 NH2 ARG A 91 -13.274 -9.900 -8.640 1.00 0.00 N ATOM 0 H ARG A 91 -6.701 -8.584 -4.928 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.247 -9.359 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.168 -10.551 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.859 -11.217 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.229 -9.424 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.847 -8.351 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.923 -7.528 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.782 -8.644 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.214 -10.071 -6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.933 -7.655 -8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.073 -8.072 -9.922 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.687 -10.613 -8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.637 -9.753 -9.582 1.00 0.00 H new ATOM 1495 N ILE A 92 -6.346 -11.307 -3.190 1.00 0.00 N ATOM 1496 CA ILE A 92 -5.726 -12.477 -2.592 1.00 0.00 C ATOM 1497 C ILE A 92 -5.704 -12.317 -1.070 1.00 0.00 C ATOM 1498 O ILE A 92 -5.310 -11.270 -0.558 1.00 0.00 O ATOM 1499 CB ILE A 92 -4.344 -12.723 -3.203 1.00 0.00 C ATOM 1500 CG1 ILE A 92 -4.453 -13.032 -4.698 1.00 0.00 C ATOM 1501 CG2 ILE A 92 -3.596 -13.820 -2.443 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -3.289 -12.411 -5.472 1.00 0.00 C ATOM 0 H ILE A 92 -5.792 -10.453 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.311 -13.370 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.759 -11.808 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.461 -14.111 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.397 -12.648 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.617 -13.975 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.470 -13.520 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.167 -14.747 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.390 -12.645 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.298 -11.329 -5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.348 -12.815 -5.099 1.00 0.00 H new ATOM 1514 N ASP A 93 -6.135 -13.369 -0.391 1.00 0.00 N ATOM 1515 CA ASP A 93 -6.172 -13.358 1.061 1.00 0.00 C ATOM 1516 C ASP A 93 -4.741 -13.307 1.603 1.00 0.00 C ATOM 1517 O ASP A 93 -3.821 -13.839 0.984 1.00 0.00 O ATOM 1518 CB ASP A 93 -6.838 -14.624 1.606 1.00 0.00 C ATOM 1519 CG ASP A 93 -7.955 -14.380 2.623 1.00 0.00 C ATOM 1520 OD1 ASP A 93 -7.774 -13.467 3.456 1.00 0.00 O ATOM 1521 OD2 ASP A 93 -8.964 -15.113 2.544 1.00 0.00 O ATOM 0 H ASP A 93 -6.462 -14.235 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.744 -12.485 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.246 -15.191 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.074 -15.247 2.070 1.00 0.00 H new ATOM 1526 N VAL A 94 -4.600 -12.663 2.752 1.00 0.00 N ATOM 1527 CA VAL A 94 -3.298 -12.535 3.383 1.00 0.00 C ATOM 1528 C VAL A 94 -3.459 -12.629 4.901 1.00 0.00 C ATOM 1529 O VAL A 94 -4.579 -12.628 5.410 1.00 0.00 O ATOM 1530 CB VAL A 94 -2.622 -11.238 2.933 1.00 0.00 C ATOM 1531 CG1 VAL A 94 -1.765 -11.469 1.687 1.00 0.00 C ATOM 1532 CG2 VAL A 94 -3.657 -10.138 2.690 1.00 0.00 C ATOM 0 H VAL A 94 -5.366 -12.224 3.262 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.644 -13.350 3.075 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.963 -10.908 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.296 -10.531 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.993 -12.206 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.394 -11.834 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.151 -9.227 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.352 -10.458 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.206 -9.945 3.612 1.00 0.00 H new ATOM 1542 N LYS A 95 -2.326 -12.708 5.582 1.00 0.00 N ATOM 1543 CA LYS A 95 -2.328 -12.802 7.032 1.00 0.00 C ATOM 1544 C LYS A 95 -1.103 -12.075 7.588 1.00 0.00 C ATOM 1545 O LYS A 95 -1.217 -11.287 8.526 1.00 0.00 O ATOM 1546 CB LYS A 95 -2.429 -14.264 7.474 1.00 0.00 C ATOM 1547 CG LYS A 95 -3.741 -14.523 8.216 1.00 0.00 C ATOM 1548 CD LYS A 95 -3.656 -15.804 9.048 1.00 0.00 C ATOM 1549 CE LYS A 95 -4.325 -16.974 8.323 1.00 0.00 C ATOM 1550 NZ LYS A 95 -4.285 -18.193 9.161 1.00 0.00 N ATOM 0 H LYS A 95 -1.399 -12.709 5.156 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.207 -12.307 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.365 -14.916 6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.587 -14.511 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.969 -13.678 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.558 -14.604 7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -2.612 -16.044 9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.137 -15.647 10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.359 -16.721 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.819 -17.160 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.743 -18.978 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.296 -18.442 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.788 -18.017 10.054 1.00 0.00 H new ATOM 1564 N ASP A 96 0.041 -12.364 6.986 1.00 0.00 N ATOM 1565 CA ASP A 96 1.287 -11.746 7.410 1.00 0.00 C ATOM 1566 C ASP A 96 2.139 -11.433 6.179 1.00 0.00 C ATOM 1567 O ASP A 96 1.963 -12.041 5.124 1.00 0.00 O ATOM 1568 CB ASP A 96 2.087 -12.687 8.313 1.00 0.00 C ATOM 1569 CG ASP A 96 2.142 -14.143 7.845 1.00 0.00 C ATOM 1570 OD1 ASP A 96 1.049 -14.734 7.706 1.00 0.00 O ATOM 1571 OD2 ASP A 96 3.274 -14.631 7.638 1.00 0.00 O ATOM 0 H ASP A 96 0.132 -13.018 6.208 1.00 0.00 H new ATOM 0 HA ASP A 96 1.044 -10.837 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.106 -12.309 8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.656 -12.659 9.314 1.00 0.00 H new ATOM 1576 N THR A 97 3.047 -10.482 6.354 1.00 0.00 N ATOM 1577 CA THR A 97 3.928 -10.080 5.271 1.00 0.00 C ATOM 1578 C THR A 97 4.766 -11.269 4.795 1.00 0.00 C ATOM 1579 O THR A 97 5.022 -11.414 3.602 1.00 0.00 O ATOM 1580 CB THR A 97 4.768 -8.900 5.759 1.00 0.00 C ATOM 1581 OG1 THR A 97 5.065 -9.222 7.115 1.00 0.00 O ATOM 1582 CG2 THR A 97 3.961 -7.604 5.852 1.00 0.00 C ATOM 0 H THR A 97 3.191 -9.979 7.230 1.00 0.00 H new ATOM 0 HA THR A 97 3.360 -9.754 4.399 1.00 0.00 H new ATOM 0 HB THR A 97 5.612 -8.754 5.085 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.342 -8.411 7.591 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.606 -6.798 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.566 -7.350 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.135 -7.739 6.551 1.00 0.00 H new ATOM 1590 N LYS A 98 5.170 -12.088 5.755 1.00 0.00 N ATOM 1591 CA LYS A 98 5.975 -13.258 5.450 1.00 0.00 C ATOM 1592 C LYS A 98 5.143 -14.241 4.621 1.00 0.00 C ATOM 1593 O LYS A 98 5.644 -14.829 3.663 1.00 0.00 O ATOM 1594 CB LYS A 98 6.545 -13.866 6.733 1.00 0.00 C ATOM 1595 CG LYS A 98 7.985 -14.337 6.523 1.00 0.00 C ATOM 1596 CD LYS A 98 8.107 -15.846 6.743 1.00 0.00 C ATOM 1597 CE LYS A 98 8.805 -16.152 8.071 1.00 0.00 C ATOM 1598 NZ LYS A 98 8.269 -17.399 8.662 1.00 0.00 N ATOM 0 H LYS A 98 4.955 -11.964 6.744 1.00 0.00 H new ATOM 0 HA LYS A 98 6.838 -12.980 4.846 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.513 -13.128 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.926 -14.706 7.048 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.310 -14.086 5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.647 -13.811 7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.116 -16.299 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.668 -16.293 5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.879 -16.251 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.661 -15.323 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.753 -17.592 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.249 -17.291 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.428 -18.190 8.006 1.00 0.00 H new ATOM 1612 N GLU A 99 3.889 -14.388 5.021 1.00 0.00 N ATOM 1613 CA GLU A 99 2.985 -15.289 4.327 1.00 0.00 C ATOM 1614 C GLU A 99 2.674 -14.755 2.926 1.00 0.00 C ATOM 1615 O GLU A 99 2.579 -15.526 1.972 1.00 0.00 O ATOM 1616 CB GLU A 99 1.699 -15.501 5.128 1.00 0.00 C ATOM 1617 CG GLU A 99 0.726 -16.411 4.376 1.00 0.00 C ATOM 1618 CD GLU A 99 0.895 -17.869 4.806 1.00 0.00 C ATOM 1619 OE1 GLU A 99 0.551 -18.161 5.971 1.00 0.00 O ATOM 1620 OE2 GLU A 99 1.364 -18.660 3.958 1.00 0.00 O ATOM 0 H GLU A 99 3.478 -13.899 5.816 1.00 0.00 H new ATOM 0 HA GLU A 99 3.476 -16.257 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.938 -15.940 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.225 -14.539 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.298 -16.089 4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.895 -16.323 3.303 1.00 0.00 H new ATOM 1627 N ALA A 100 2.526 -13.441 2.848 1.00 0.00 N ATOM 1628 CA ALA A 100 2.229 -12.796 1.581 1.00 0.00 C ATOM 1629 C ALA A 100 3.455 -12.882 0.670 1.00 0.00 C ATOM 1630 O ALA A 100 3.324 -13.072 -0.539 1.00 0.00 O ATOM 1631 CB ALA A 100 1.790 -11.352 1.833 1.00 0.00 C ATOM 0 H ALA A 100 2.606 -12.806 3.642 1.00 0.00 H new ATOM 0 HA ALA A 100 1.407 -13.303 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.567 -10.868 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.899 -11.347 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.591 -10.811 2.336 1.00 0.00 H new ATOM 1637 N LEU A 101 4.620 -12.738 1.284 1.00 0.00 N ATOM 1638 CA LEU A 101 5.869 -12.797 0.543 1.00 0.00 C ATOM 1639 C LEU A 101 6.096 -14.226 0.048 1.00 0.00 C ATOM 1640 O LEU A 101 6.527 -14.433 -1.086 1.00 0.00 O ATOM 1641 CB LEU A 101 7.020 -12.249 1.390 1.00 0.00 C ATOM 1642 CG LEU A 101 7.531 -10.859 1.008 1.00 0.00 C ATOM 1643 CD1 LEU A 101 8.817 -10.519 1.764 1.00 0.00 C ATOM 1644 CD2 LEU A 101 7.708 -10.736 -0.507 1.00 0.00 C ATOM 0 H LEU A 101 4.726 -12.581 2.286 1.00 0.00 H new ATOM 0 HA LEU A 101 5.820 -12.158 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.698 -12.223 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.853 -12.949 1.332 1.00 0.00 H new ATOM 0 HG LEU A 101 6.780 -10.127 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.158 -9.525 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.624 -10.537 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.586 -11.252 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.072 -9.738 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.428 -11.479 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.750 -10.903 -1.000 1.00 0.00 H new ATOM 1656 N ASP A 102 5.797 -15.176 0.921 1.00 0.00 N ATOM 1657 CA ASP A 102 5.962 -16.580 0.587 1.00 0.00 C ATOM 1658 C ASP A 102 4.897 -16.986 -0.433 1.00 0.00 C ATOM 1659 O ASP A 102 5.138 -17.845 -1.281 1.00 0.00 O ATOM 1660 CB ASP A 102 5.794 -17.465 1.823 1.00 0.00 C ATOM 1661 CG ASP A 102 5.612 -18.956 1.533 1.00 0.00 C ATOM 1662 OD1 ASP A 102 4.477 -19.329 1.165 1.00 0.00 O ATOM 1663 OD2 ASP A 102 6.614 -19.689 1.684 1.00 0.00 O ATOM 0 H ASP A 102 5.441 -15.001 1.861 1.00 0.00 H new ATOM 0 HA ASP A 102 6.965 -16.714 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.668 -17.339 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.931 -17.113 2.389 1.00 0.00 H new ATOM 1668 N LYS A 103 3.740 -16.349 -0.319 1.00 0.00 N ATOM 1669 CA LYS A 103 2.637 -16.634 -1.222 1.00 0.00 C ATOM 1670 C LYS A 103 3.008 -16.176 -2.634 1.00 0.00 C ATOM 1671 O LYS A 103 2.852 -16.927 -3.594 1.00 0.00 O ATOM 1672 CB LYS A 103 1.342 -16.014 -0.695 1.00 0.00 C ATOM 1673 CG LYS A 103 0.126 -16.567 -1.442 1.00 0.00 C ATOM 1674 CD LYS A 103 -0.113 -15.800 -2.744 1.00 0.00 C ATOM 1675 CE LYS A 103 -1.371 -16.303 -3.454 1.00 0.00 C ATOM 1676 NZ LYS A 103 -1.609 -15.531 -4.695 1.00 0.00 N ATOM 0 H LYS A 103 3.543 -15.637 0.384 1.00 0.00 H new ATOM 0 HA LYS A 103 2.453 -17.707 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.243 -16.220 0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.381 -14.931 -0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.279 -17.624 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.758 -16.498 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.213 -14.736 -2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.750 -15.914 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.263 -17.361 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.231 -16.211 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.632 -15.448 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.196 -14.581 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.166 -16.020 -5.499 1.00 0.00 H new ATOM 1690 N ILE A 104 3.491 -14.944 -2.714 1.00 0.00 N ATOM 1691 CA ILE A 104 3.885 -14.377 -3.992 1.00 0.00 C ATOM 1692 C ILE A 104 5.154 -15.076 -4.486 1.00 0.00 C ATOM 1693 O ILE A 104 5.329 -15.276 -5.687 1.00 0.00 O ATOM 1694 CB ILE A 104 4.023 -12.858 -3.885 1.00 0.00 C ATOM 1695 CG1 ILE A 104 3.500 -12.169 -5.147 1.00 0.00 C ATOM 1696 CG2 ILE A 104 5.465 -12.458 -3.571 1.00 0.00 C ATOM 1697 CD1 ILE A 104 2.272 -11.311 -4.835 1.00 0.00 C ATOM 0 H ILE A 104 3.618 -14.323 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 104 3.112 -14.552 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 104 3.406 -12.518 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.284 -11.545 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.243 -12.919 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.534 -11.372 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.768 -12.903 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.122 -12.813 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.921 -10.833 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.481 -11.942 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.538 -10.547 -4.105 1.00 0.00 H new ATOM 1709 N GLU A 105 6.006 -15.428 -3.534 1.00 0.00 N ATOM 1710 CA GLU A 105 7.253 -16.099 -3.857 1.00 0.00 C ATOM 1711 C GLU A 105 6.973 -17.474 -4.470 1.00 0.00 C ATOM 1712 O GLU A 105 7.646 -17.886 -5.412 1.00 0.00 O ATOM 1713 CB GLU A 105 8.147 -16.221 -2.622 1.00 0.00 C ATOM 1714 CG GLU A 105 9.453 -16.943 -2.958 1.00 0.00 C ATOM 1715 CD GLU A 105 10.662 -16.049 -2.675 1.00 0.00 C ATOM 1716 OE1 GLU A 105 10.989 -15.898 -1.479 1.00 0.00 O ATOM 1717 OE2 GLU A 105 11.231 -15.536 -3.663 1.00 0.00 O ATOM 0 H GLU A 105 5.857 -15.261 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 105 7.787 -15.497 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.367 -15.228 -2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.618 -16.764 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.528 -17.859 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.451 -17.236 -4.008 1.00 0.00 H new