USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 802 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 82 CYS SG : rot 178:sc= -5.45! USER MOD Set 1.2: A 86 ASN : amide:sc= -4.1! K(o=-9.5!,f=-4.6) USER MOD Set 2.1: A 67 ASN : amide:sc= -6.25! C(o=-6.2!,f=-9.6!) USER MOD Set 2.2: A 70 THR OG1 : rot -32:sc= 0.00538 USER MOD Set 3.1: A 62 SER OG : rot -43:sc= 0.0134 USER MOD Set 3.2: A 64 GLN : amide:sc= -0.0137 K(o=-0.00032,f=-1.4) USER MOD Set 4.1: A 51 MET CE :methyl 165:sc= -0.0485 (180deg=-0.396) USER MOD Set 4.2: A 59 LYS NZ :NH3+ -163:sc= 0.0305 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.01 (180deg=-0.17) USER MOD Single : A 15 CYS SG : rot 64:sc= -3.38! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -137:sc= -2.22! (180deg=-6.18!) USER MOD Single : A 20 THR OG1 : rot 67:sc= 0.473 USER MOD Single : A 22 MET CE :methyl -117:sc= -0.284 (180deg=-1.29) USER MOD Single : A 24 THR OG1 : rot -32:sc= 0.966 USER MOD Single : A 25 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.8) USER MOD Single : A 36 ASN : amide:sc= -0.625 K(o=-0.62,f=-0.014) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.103 (180deg=-0.641) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0153) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 78:sc= 0.0862 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 7:sc= -0.334 USER MOD Single : A 81 ASN : amide:sc= -4.14 K(o=-4.1,f=-19!) USER MOD Single : A 84 THR OG1 : rot 90:sc= 0.728 USER MOD Single : A 90 SER OG : rot 180:sc= 0.103 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 98 ASN : amide:sc= 0.133 K(o=0.13,f=-2.1!) USER MOD Single : A 99 MET CE :methyl -149:sc= -1.55 (180deg=-1.98) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 110:sc= -0.466 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 60:sc= 0.235 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.710 18.502 10.246 1.00 0.00 N ATOM 90 CA LYS A 10 -4.084 18.199 9.861 1.00 0.00 C ATOM 91 C LYS A 10 -4.121 17.408 8.558 1.00 0.00 C ATOM 92 O LYS A 10 -4.682 16.313 8.501 1.00 0.00 O ATOM 93 CB LYS A 10 -4.889 19.491 9.710 1.00 0.00 C ATOM 94 CG LYS A 10 -6.386 19.264 9.592 1.00 0.00 C ATOM 95 CD LYS A 10 -7.052 20.352 8.767 1.00 0.00 C ATOM 96 CE LYS A 10 -8.553 20.131 8.660 1.00 0.00 C ATOM 97 NZ LYS A 10 -9.225 20.234 9.985 1.00 0.00 N ATOM 0 HA LYS A 10 -4.530 17.590 10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.694 20.133 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.540 20.025 8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.573 18.293 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.830 19.237 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.858 21.324 9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.614 20.373 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.981 20.866 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.746 19.148 8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.255 20.281 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.989 19.400 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.901 21.093 10.473 1.00 0.00 H new ATOM 111 N ASP A 11 -3.521 17.968 7.514 1.00 0.00 N ATOM 112 CA ASP A 11 -3.484 17.313 6.211 1.00 0.00 C ATOM 113 C ASP A 11 -2.970 15.882 6.336 1.00 0.00 C ATOM 114 O ASP A 11 -3.575 14.946 5.813 1.00 0.00 O ATOM 115 CB ASP A 11 -2.600 18.103 5.245 1.00 0.00 C ATOM 116 CG ASP A 11 -1.194 18.301 5.776 1.00 0.00 C ATOM 117 OD1 ASP A 11 -1.054 18.655 6.965 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.233 18.102 5.003 1.00 0.00 O ATOM 0 H ASP A 11 -3.053 18.874 7.544 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.500 17.281 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.554 17.581 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.054 19.076 5.055 1.00 0.00 H new ATOM 123 N LEU A 12 -1.850 15.720 7.032 1.00 0.00 N ATOM 124 CA LEU A 12 -1.253 14.403 7.226 1.00 0.00 C ATOM 125 C LEU A 12 -2.198 13.485 7.994 1.00 0.00 C ATOM 126 O LEU A 12 -2.498 12.376 7.553 1.00 0.00 O ATOM 127 CB LEU A 12 0.075 14.528 7.973 1.00 0.00 C ATOM 128 CG LEU A 12 1.311 14.779 7.109 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.545 14.958 7.980 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.513 13.636 6.124 1.00 0.00 C ATOM 0 H LEU A 12 -1.337 16.484 7.471 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.070 13.966 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.011 15.342 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.235 13.613 8.544 1.00 0.00 H new ATOM 0 HG LEU A 12 1.155 15.698 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.414 15.136 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.400 15.809 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.706 14.058 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.397 13.831 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.647 12.703 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.639 13.554 5.477 1.00 0.00 H new ATOM 142 N ALA A 13 -2.665 13.956 9.146 1.00 0.00 N ATOM 143 CA ALA A 13 -3.580 13.179 9.974 1.00 0.00 C ATOM 144 C ALA A 13 -4.554 12.380 9.115 1.00 0.00 C ATOM 145 O ALA A 13 -4.762 11.187 9.340 1.00 0.00 O ATOM 146 CB ALA A 13 -4.338 14.094 10.924 1.00 0.00 C ATOM 0 H ALA A 13 -2.425 14.871 9.527 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.991 12.473 10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.017 13.501 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.631 14.616 11.569 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.910 14.822 10.349 1.00 0.00 H new ATOM 152 N LEU A 14 -5.150 13.045 8.131 1.00 0.00 N ATOM 153 CA LEU A 14 -6.104 12.396 7.238 1.00 0.00 C ATOM 154 C LEU A 14 -5.471 11.194 6.545 1.00 0.00 C ATOM 155 O LEU A 14 -6.037 10.100 6.538 1.00 0.00 O ATOM 156 CB LEU A 14 -6.612 13.392 6.193 1.00 0.00 C ATOM 157 CG LEU A 14 -7.718 14.342 6.654 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.778 15.567 5.755 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.061 13.627 6.676 1.00 0.00 C ATOM 0 H LEU A 14 -4.990 14.032 7.931 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.944 12.045 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.768 13.989 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.977 12.831 5.333 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.489 14.672 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.571 16.232 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.823 16.092 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.983 15.257 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.836 14.319 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.298 13.268 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.012 12.782 7.363 1.00 0.00 H new ATOM 171 N CYS A 15 -4.294 11.403 5.966 1.00 0.00 N ATOM 172 CA CYS A 15 -3.583 10.336 5.271 1.00 0.00 C ATOM 173 C CYS A 15 -3.581 9.055 6.099 1.00 0.00 C ATOM 174 O CYS A 15 -3.708 7.955 5.561 1.00 0.00 O ATOM 175 CB CYS A 15 -2.146 10.764 4.970 1.00 0.00 C ATOM 176 SG CYS A 15 -2.014 12.330 4.075 1.00 0.00 S ATOM 0 H CYS A 15 -3.812 12.302 5.964 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.101 10.140 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.599 10.847 5.909 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.660 9.982 4.386 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.473 13.294 4.817 1.00 0.00 H new ATOM 182 N SER A 16 -3.435 9.205 7.412 1.00 0.00 N ATOM 183 CA SER A 16 -3.411 8.060 8.315 1.00 0.00 C ATOM 184 C SER A 16 -4.721 7.281 8.237 1.00 0.00 C ATOM 185 O SER A 16 -4.724 6.050 8.249 1.00 0.00 O ATOM 186 CB SER A 16 -3.164 8.522 9.752 1.00 0.00 C ATOM 187 OG SER A 16 -3.090 7.418 10.637 1.00 0.00 O ATOM 0 H SER A 16 -3.332 10.108 7.874 1.00 0.00 H new ATOM 0 HA SER A 16 -2.598 7.402 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.237 9.093 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.966 9.190 10.065 1.00 0.00 H new ATOM 0 HG SER A 16 -2.930 7.740 11.549 1.00 0.00 H new ATOM 193 N MET A 17 -5.831 8.007 8.159 1.00 0.00 N ATOM 194 CA MET A 17 -7.147 7.384 8.079 1.00 0.00 C ATOM 195 C MET A 17 -7.256 6.501 6.840 1.00 0.00 C ATOM 196 O MET A 17 -7.311 5.276 6.943 1.00 0.00 O ATOM 197 CB MET A 17 -8.240 8.454 8.055 1.00 0.00 C ATOM 198 CG MET A 17 -8.087 9.504 9.143 1.00 0.00 C ATOM 199 SD MET A 17 -9.657 10.260 9.606 1.00 0.00 S ATOM 200 CE MET A 17 -10.257 10.798 8.006 1.00 0.00 C ATOM 0 H MET A 17 -5.846 9.027 8.149 1.00 0.00 H new ATOM 0 HA MET A 17 -7.280 6.759 8.962 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.233 8.947 7.083 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.212 7.972 8.161 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.635 9.046 10.023 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.402 10.280 8.800 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.675 11.801 8.093 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.433 10.808 7.293 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.029 10.112 7.658 1.00 0.00 H new ATOM 210 N ILE A 18 -7.287 7.132 5.670 1.00 0.00 N ATOM 211 CA ILE A 18 -7.389 6.403 4.412 1.00 0.00 C ATOM 212 C ILE A 18 -6.531 5.142 4.437 1.00 0.00 C ATOM 213 O ILE A 18 -6.991 4.058 4.075 1.00 0.00 O ATOM 214 CB ILE A 18 -6.961 7.277 3.219 1.00 0.00 C ATOM 215 CG1 ILE A 18 -7.839 8.528 3.135 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.039 6.481 1.925 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.130 9.725 2.541 1.00 0.00 C ATOM 0 H ILE A 18 -7.243 8.146 5.568 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.436 6.126 4.292 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.928 7.590 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.721 8.304 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.190 8.783 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.733 7.112 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.377 5.618 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.063 6.142 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.812 10.575 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.264 9.976 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.802 9.488 1.529 1.00 0.00 H new ATOM 229 N LEU A 19 -5.283 5.290 4.867 1.00 0.00 N ATOM 230 CA LEU A 19 -4.361 4.162 4.941 1.00 0.00 C ATOM 231 C LEU A 19 -4.962 3.019 5.753 1.00 0.00 C ATOM 232 O LEU A 19 -4.974 1.869 5.313 1.00 0.00 O ATOM 233 CB LEU A 19 -3.035 4.603 5.564 1.00 0.00 C ATOM 234 CG LEU A 19 -1.938 3.540 5.631 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.465 3.173 4.233 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.773 4.027 6.479 1.00 0.00 C ATOM 0 H LEU A 19 -4.886 6.180 5.170 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.179 3.806 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.655 5.453 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.232 4.957 6.576 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.353 2.647 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.684 2.415 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.303 2.781 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.068 4.060 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.002 3.257 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.359 4.935 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.122 4.238 7.490 1.00 0.00 H new ATOM 248 N THR A 20 -5.463 3.343 6.941 1.00 0.00 N ATOM 249 CA THR A 20 -6.067 2.345 7.814 1.00 0.00 C ATOM 250 C THR A 20 -7.128 1.538 7.074 1.00 0.00 C ATOM 251 O THR A 20 -6.980 0.331 6.882 1.00 0.00 O ATOM 252 CB THR A 20 -6.706 2.996 9.055 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.708 3.686 9.815 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.382 1.950 9.927 1.00 0.00 C ATOM 0 H THR A 20 -5.462 4.290 7.320 1.00 0.00 H new ATOM 0 HA THR A 20 -5.266 1.679 8.135 1.00 0.00 H new ATOM 0 HB THR A 20 -7.460 3.707 8.717 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.372 4.448 9.298 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.826 2.434 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.161 1.447 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.644 1.218 10.256 1.00 0.00 H new ATOM 262 N GLU A 21 -8.197 2.212 6.662 1.00 0.00 N ATOM 263 CA GLU A 21 -9.282 1.555 5.943 1.00 0.00 C ATOM 264 C GLU A 21 -8.737 0.532 4.951 1.00 0.00 C ATOM 265 O GLU A 21 -9.127 -0.636 4.970 1.00 0.00 O ATOM 266 CB GLU A 21 -10.136 2.590 5.208 1.00 0.00 C ATOM 267 CG GLU A 21 -11.106 3.332 6.112 1.00 0.00 C ATOM 268 CD GLU A 21 -12.330 2.506 6.457 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.178 1.290 6.695 1.00 0.00 O ATOM 270 OE2 GLU A 21 -13.441 3.077 6.490 1.00 0.00 O ATOM 0 H GLU A 21 -8.335 3.211 6.814 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.903 1.033 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.479 3.312 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.698 2.090 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.594 3.618 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.420 4.254 5.622 1.00 0.00 H new ATOM 277 N MET A 22 -7.834 0.979 4.085 1.00 0.00 N ATOM 278 CA MET A 22 -7.235 0.102 3.085 1.00 0.00 C ATOM 279 C MET A 22 -6.515 -1.067 3.749 1.00 0.00 C ATOM 280 O MET A 22 -6.766 -2.227 3.424 1.00 0.00 O ATOM 281 CB MET A 22 -6.257 0.887 2.208 1.00 0.00 C ATOM 282 CG MET A 22 -6.925 1.959 1.362 1.00 0.00 C ATOM 283 SD MET A 22 -5.998 2.338 -0.137 1.00 0.00 S ATOM 284 CE MET A 22 -4.481 2.989 0.559 1.00 0.00 C ATOM 0 H MET A 22 -7.501 1.943 4.055 1.00 0.00 H new ATOM 0 HA MET A 22 -8.035 -0.295 2.460 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.505 1.354 2.844 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.732 0.193 1.552 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.928 1.630 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.037 2.867 1.955 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.362 4.031 0.262 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.522 2.924 1.646 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.634 2.409 0.192 1.00 0.00 H new ATOM 294 N GLU A 23 -5.619 -0.753 4.680 1.00 0.00 N ATOM 295 CA GLU A 23 -4.862 -1.779 5.387 1.00 0.00 C ATOM 296 C GLU A 23 -5.787 -2.876 5.907 1.00 0.00 C ATOM 297 O GLU A 23 -5.347 -3.988 6.201 1.00 0.00 O ATOM 298 CB GLU A 23 -4.084 -1.160 6.551 1.00 0.00 C ATOM 299 CG GLU A 23 -2.845 -0.395 6.116 1.00 0.00 C ATOM 300 CD GLU A 23 -1.801 -0.305 7.211 1.00 0.00 C ATOM 301 OE1 GLU A 23 -2.170 0.022 8.358 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.614 -0.563 6.921 1.00 0.00 O ATOM 0 H GLU A 23 -5.400 0.203 4.962 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.158 -2.223 4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.742 -0.487 7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.789 -1.950 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.410 -0.882 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.132 0.611 5.810 1.00 0.00 H new ATOM 309 N THR A 24 -7.072 -2.555 6.018 1.00 0.00 N ATOM 310 CA THR A 24 -8.060 -3.511 6.503 1.00 0.00 C ATOM 311 C THR A 24 -8.967 -3.985 5.373 1.00 0.00 C ATOM 312 O THR A 24 -10.148 -4.263 5.587 1.00 0.00 O ATOM 313 CB THR A 24 -8.927 -2.903 7.622 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.682 -1.799 7.112 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.063 -2.440 8.785 1.00 0.00 C ATOM 0 H THR A 24 -7.453 -1.640 5.778 1.00 0.00 H new ATOM 0 HA THR A 24 -7.508 -4.362 6.903 1.00 0.00 H new ATOM 0 HB THR A 24 -9.609 -3.673 7.982 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.168 -1.348 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.697 -2.014 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.513 -3.289 9.190 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.359 -1.684 8.437 1.00 0.00 H new ATOM 323 N HIS A 25 -8.408 -4.078 4.171 1.00 0.00 N ATOM 324 CA HIS A 25 -9.167 -4.521 3.007 1.00 0.00 C ATOM 325 C HIS A 25 -8.876 -5.986 2.694 1.00 0.00 C ATOM 326 O HIS A 25 -7.774 -6.475 2.941 1.00 0.00 O ATOM 327 CB HIS A 25 -8.834 -3.652 1.794 1.00 0.00 C ATOM 328 CG HIS A 25 -9.976 -3.498 0.836 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.077 -4.218 -0.336 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.069 -2.702 0.883 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.183 -3.870 -0.969 1.00 0.00 C ATOM 332 NE2 HIS A 25 -11.804 -2.952 -0.250 1.00 0.00 N ATOM 0 H HIS A 25 -7.432 -3.853 3.977 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.228 -4.421 3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.524 -2.665 2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.985 -4.088 1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.317 -2.001 1.666 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.522 -4.268 -1.914 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.686 -2.502 -0.496 1.00 0.00 H new ATOM 340 N GLU A 26 -9.871 -6.679 2.150 1.00 0.00 N ATOM 341 CA GLU A 26 -9.721 -8.088 1.805 1.00 0.00 C ATOM 342 C GLU A 26 -8.704 -8.268 0.681 1.00 0.00 C ATOM 343 O GLU A 26 -8.281 -9.385 0.386 1.00 0.00 O ATOM 344 CB GLU A 26 -11.069 -8.680 1.388 1.00 0.00 C ATOM 345 CG GLU A 26 -11.672 -8.016 0.161 1.00 0.00 C ATOM 346 CD GLU A 26 -13.073 -8.511 -0.140 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.447 -9.586 0.374 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.796 -7.822 -0.890 1.00 0.00 O ATOM 0 H GLU A 26 -10.789 -6.288 1.939 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.358 -8.615 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.943 -9.744 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.768 -8.591 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.696 -6.937 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.031 -8.203 -0.701 1.00 0.00 H new ATOM 355 N ASP A 27 -8.318 -7.160 0.058 1.00 0.00 N ATOM 356 CA ASP A 27 -7.351 -7.193 -1.033 1.00 0.00 C ATOM 357 C ASP A 27 -6.248 -6.163 -0.813 1.00 0.00 C ATOM 358 O ASP A 27 -5.689 -5.625 -1.768 1.00 0.00 O ATOM 359 CB ASP A 27 -8.049 -6.936 -2.369 1.00 0.00 C ATOM 360 CG ASP A 27 -8.575 -8.209 -3.003 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.807 -9.190 -3.091 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.755 -8.224 -3.409 1.00 0.00 O ATOM 0 H ASP A 27 -8.660 -6.227 0.290 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.897 -8.184 -1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.875 -6.242 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.351 -6.455 -3.054 1.00 0.00 H new ATOM 367 N ALA A 28 -5.941 -5.892 0.451 1.00 0.00 N ATOM 368 CA ALA A 28 -4.905 -4.926 0.796 1.00 0.00 C ATOM 369 C ALA A 28 -3.750 -5.599 1.530 1.00 0.00 C ATOM 370 O ALA A 28 -2.765 -4.951 1.883 1.00 0.00 O ATOM 371 CB ALA A 28 -5.489 -3.805 1.642 1.00 0.00 C ATOM 0 H ALA A 28 -6.395 -6.328 1.254 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.515 -4.502 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.704 -3.091 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.275 -3.298 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.907 -4.221 2.559 1.00 0.00 H new ATOM 377 N TRP A 29 -3.879 -6.901 1.758 1.00 0.00 N ATOM 378 CA TRP A 29 -2.845 -7.661 2.452 1.00 0.00 C ATOM 379 C TRP A 29 -1.653 -7.919 1.537 1.00 0.00 C ATOM 380 O TRP A 29 -0.509 -8.026 1.979 1.00 0.00 O ATOM 381 CB TRP A 29 -3.413 -8.989 2.957 1.00 0.00 C ATOM 382 CG TRP A 29 -3.795 -9.929 1.855 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.060 -10.224 1.431 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.907 -10.699 1.038 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.010 -11.131 0.400 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.701 -11.438 0.139 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.517 -10.835 0.977 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.151 -12.299 -0.807 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.972 -11.690 0.038 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.787 -12.412 -0.844 1.00 0.00 C ATOM 0 H TRP A 29 -4.688 -7.452 1.473 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.505 -7.072 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.674 -9.472 3.597 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.289 -8.790 3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.966 -9.806 1.845 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.818 -11.514 -0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.880 -10.282 1.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.777 -12.857 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.101 -11.804 -0.017 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.330 -13.071 -1.568 1.00 0.00 H new ATOM 401 N PRO A 30 -1.922 -8.022 0.227 1.00 0.00 N ATOM 402 CA PRO A 30 -0.800 -8.270 -0.683 1.00 0.00 C ATOM 403 C PRO A 30 0.377 -7.337 -0.420 1.00 0.00 C ATOM 404 O PRO A 30 1.505 -7.613 -0.829 1.00 0.00 O ATOM 405 CB PRO A 30 -1.399 -7.998 -2.066 1.00 0.00 C ATOM 406 CG PRO A 30 -2.857 -8.257 -1.904 1.00 0.00 C ATOM 407 CD PRO A 30 -3.206 -7.925 -0.486 1.00 0.00 C ATOM 0 HA PRO A 30 -0.396 -9.276 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.212 -6.972 -2.384 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.962 -8.651 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.436 -7.647 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.091 -9.299 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.634 -6.926 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.941 -8.621 -0.082 1.00 0.00 H new ATOM 415 N PHE A 31 0.108 -6.230 0.265 1.00 0.00 N ATOM 416 CA PHE A 31 1.145 -5.256 0.583 1.00 0.00 C ATOM 417 C PHE A 31 1.376 -5.179 2.089 1.00 0.00 C ATOM 418 O PHE A 31 2.496 -4.944 2.546 1.00 0.00 O ATOM 419 CB PHE A 31 0.761 -3.877 0.043 1.00 0.00 C ATOM 420 CG PHE A 31 -0.042 -3.931 -1.225 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.419 -4.081 -1.183 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.580 -3.832 -2.459 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.159 -4.133 -2.349 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.155 -3.883 -3.628 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.527 -4.032 -3.573 1.00 0.00 C ATOM 0 H PHE A 31 -0.820 -5.985 0.610 1.00 0.00 H new ATOM 0 HA PHE A 31 2.071 -5.580 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.189 -3.345 0.803 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.668 -3.300 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.919 -4.158 -0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.652 -3.714 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.231 -4.253 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.343 -3.806 -4.583 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.104 -4.069 -4.485 1.00 0.00 H new ATOM 435 N LEU A 32 0.310 -5.378 2.856 1.00 0.00 N ATOM 436 CA LEU A 32 0.395 -5.331 4.312 1.00 0.00 C ATOM 437 C LEU A 32 1.752 -5.834 4.794 1.00 0.00 C ATOM 438 O LEU A 32 2.298 -5.333 5.778 1.00 0.00 O ATOM 439 CB LEU A 32 -0.723 -6.167 4.935 1.00 0.00 C ATOM 440 CG LEU A 32 -2.091 -5.491 5.036 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.111 -6.438 5.650 1.00 0.00 C ATOM 442 CD2 LEU A 32 -1.993 -4.209 5.849 1.00 0.00 C ATOM 0 H LEU A 32 -0.623 -5.573 2.494 1.00 0.00 H new ATOM 0 HA LEU A 32 0.281 -4.293 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.834 -7.081 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.412 -6.464 5.937 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.424 -5.235 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.078 -5.939 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.202 -7.328 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.785 -6.726 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.976 -3.741 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.638 -4.441 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.295 -3.525 5.367 1.00 0.00 H new ATOM 454 N LEU A 33 2.291 -6.826 4.095 1.00 0.00 N ATOM 455 CA LEU A 33 3.586 -7.397 4.451 1.00 0.00 C ATOM 456 C LEU A 33 4.586 -7.230 3.311 1.00 0.00 C ATOM 457 O LEU A 33 4.232 -7.264 2.133 1.00 0.00 O ATOM 458 CB LEU A 33 3.435 -8.878 4.799 1.00 0.00 C ATOM 459 CG LEU A 33 2.774 -9.188 6.144 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.395 -10.658 6.226 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.698 -8.808 7.291 1.00 0.00 C ATOM 0 H LEU A 33 1.852 -7.252 3.279 1.00 0.00 H new ATOM 0 HA LEU A 33 3.964 -6.863 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.854 -9.358 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.424 -9.336 4.789 1.00 0.00 H new ATOM 0 HG LEU A 33 1.863 -8.595 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.926 -10.860 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.696 -10.899 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.290 -11.271 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.212 -9.035 8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.626 -9.374 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.919 -7.742 7.242 1.00 0.00 H new ATOM 473 N PRO A 34 5.866 -7.049 3.669 1.00 0.00 N ATOM 474 CA PRO A 34 6.944 -6.877 2.690 1.00 0.00 C ATOM 475 C PRO A 34 7.239 -8.159 1.920 1.00 0.00 C ATOM 476 O PRO A 34 7.163 -9.257 2.472 1.00 0.00 O ATOM 477 CB PRO A 34 8.146 -6.482 3.552 1.00 0.00 C ATOM 478 CG PRO A 34 7.854 -7.057 4.895 1.00 0.00 C ATOM 479 CD PRO A 34 6.360 -6.998 5.055 1.00 0.00 C ATOM 0 HA PRO A 34 6.688 -6.141 1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.074 -6.881 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.259 -5.399 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.214 -8.083 4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.353 -6.489 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.986 -7.834 5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.046 -6.085 5.560 1.00 0.00 H new ATOM 487 N VAL A 35 7.575 -8.013 0.643 1.00 0.00 N ATOM 488 CA VAL A 35 7.883 -9.161 -0.203 1.00 0.00 C ATOM 489 C VAL A 35 9.285 -9.690 0.078 1.00 0.00 C ATOM 490 O VAL A 35 10.268 -8.957 -0.026 1.00 0.00 O ATOM 491 CB VAL A 35 7.770 -8.803 -1.697 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.537 -7.525 -1.999 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.272 -9.952 -2.558 1.00 0.00 C ATOM 0 H VAL A 35 7.641 -7.111 0.171 1.00 0.00 H new ATOM 0 HA VAL A 35 7.152 -9.934 0.034 1.00 0.00 H new ATOM 0 HB VAL A 35 6.720 -8.632 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.446 -7.288 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.127 -6.706 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.588 -7.664 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.185 -9.683 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.316 -10.156 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.675 -10.842 -2.361 1.00 0.00 H new ATOM 503 N ASN A 36 9.369 -10.968 0.433 1.00 0.00 N ATOM 504 CA ASN A 36 10.651 -11.596 0.729 1.00 0.00 C ATOM 505 C ASN A 36 11.543 -11.621 -0.509 1.00 0.00 C ATOM 506 O ASN A 36 11.446 -12.525 -1.340 1.00 0.00 O ATOM 507 CB ASN A 36 10.438 -13.020 1.246 1.00 0.00 C ATOM 508 CG ASN A 36 10.361 -13.080 2.759 1.00 0.00 C ATOM 509 OD1 ASN A 36 9.274 -13.120 3.336 1.00 0.00 O ATOM 510 ND2 ASN A 36 11.519 -13.086 3.411 1.00 0.00 N ATOM 0 H ASN A 36 8.565 -11.589 0.523 1.00 0.00 H new ATOM 0 HA ASN A 36 11.146 -11.007 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.519 -13.424 0.822 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.254 -13.655 0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.530 -13.125 4.430 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.397 -13.052 2.892 1.00 0.00 H new ATOM 517 N LEU A 37 12.413 -10.623 -0.625 1.00 0.00 N ATOM 518 CA LEU A 37 13.324 -10.530 -1.760 1.00 0.00 C ATOM 519 C LEU A 37 14.256 -11.736 -1.811 1.00 0.00 C ATOM 520 O LEU A 37 14.743 -12.114 -2.877 1.00 0.00 O ATOM 521 CB LEU A 37 14.143 -9.241 -1.678 1.00 0.00 C ATOM 522 CG LEU A 37 13.365 -7.972 -1.326 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.313 -6.798 -1.143 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.333 -7.664 -2.401 1.00 0.00 C ATOM 0 H LEU A 37 12.506 -9.867 0.053 1.00 0.00 H new ATOM 0 HA LEU A 37 12.728 -10.517 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.928 -9.380 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.636 -9.086 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 37 12.841 -8.139 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.741 -5.904 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.013 -7.018 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.865 -6.629 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.789 -6.758 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.836 -7.517 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.634 -8.496 -2.483 1.00 0.00 H new ATOM 536 N LYS A 38 14.500 -12.338 -0.652 1.00 0.00 N ATOM 537 CA LYS A 38 15.370 -13.504 -0.563 1.00 0.00 C ATOM 538 C LYS A 38 14.726 -14.717 -1.227 1.00 0.00 C ATOM 539 O LYS A 38 15.412 -15.555 -1.813 1.00 0.00 O ATOM 540 CB LYS A 38 15.687 -13.819 0.901 1.00 0.00 C ATOM 541 CG LYS A 38 14.554 -14.519 1.631 1.00 0.00 C ATOM 542 CD LYS A 38 14.635 -14.292 3.132 1.00 0.00 C ATOM 543 CE LYS A 38 15.627 -15.242 3.786 1.00 0.00 C ATOM 544 NZ LYS A 38 15.037 -16.590 4.013 1.00 0.00 N ATOM 0 H LYS A 38 14.107 -12.037 0.240 1.00 0.00 H new ATOM 0 HA LYS A 38 16.297 -13.275 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.578 -14.445 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.924 -12.891 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.598 -14.153 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.590 -15.588 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.931 -13.262 3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.649 -14.431 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.511 -15.334 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.956 -14.825 4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.744 -17.208 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.208 -16.506 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.746 -16.999 3.102 1.00 0.00 H new ATOM 558 N LEU A 39 13.403 -14.803 -1.133 1.00 0.00 N ATOM 559 CA LEU A 39 12.665 -15.913 -1.726 1.00 0.00 C ATOM 560 C LEU A 39 12.370 -15.646 -3.199 1.00 0.00 C ATOM 561 O LEU A 39 12.876 -16.340 -4.080 1.00 0.00 O ATOM 562 CB LEU A 39 11.358 -16.146 -0.967 1.00 0.00 C ATOM 563 CG LEU A 39 11.492 -16.413 0.533 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.123 -16.614 1.164 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.380 -17.623 0.783 1.00 0.00 C ATOM 0 H LEU A 39 12.820 -14.118 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 39 13.284 -16.807 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.720 -15.273 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.843 -16.992 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 39 11.959 -15.544 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.238 -16.803 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.520 -15.718 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.628 -17.465 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.464 -17.798 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.943 -18.500 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.371 -17.439 0.367 1.00 0.00 H new ATOM 577 N VAL A 40 11.549 -14.633 -3.458 1.00 0.00 N ATOM 578 CA VAL A 40 11.189 -14.271 -4.824 1.00 0.00 C ATOM 579 C VAL A 40 12.428 -14.136 -5.701 1.00 0.00 C ATOM 580 O VAL A 40 13.385 -13.438 -5.365 1.00 0.00 O ATOM 581 CB VAL A 40 10.398 -12.950 -4.864 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.003 -12.607 -6.292 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.172 -13.035 -3.969 1.00 0.00 C ATOM 0 H VAL A 40 11.121 -14.049 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 40 10.561 -15.074 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 40 11.039 -12.152 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.445 -11.671 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.900 -12.500 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.380 -13.404 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.626 -12.093 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.527 -13.844 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.484 -13.229 -2.943 1.00 0.00 H new ATOM 593 N PRO A 41 12.413 -14.820 -6.855 1.00 0.00 N ATOM 594 CA PRO A 41 13.527 -14.792 -7.807 1.00 0.00 C ATOM 595 C PRO A 41 13.667 -13.439 -8.497 1.00 0.00 C ATOM 596 O PRO A 41 13.188 -13.248 -9.613 1.00 0.00 O ATOM 597 CB PRO A 41 13.154 -15.874 -8.823 1.00 0.00 C ATOM 598 CG PRO A 41 11.669 -15.966 -8.750 1.00 0.00 C ATOM 599 CD PRO A 41 11.305 -15.672 -7.320 1.00 0.00 C ATOM 0 HA PRO A 41 14.486 -14.961 -7.316 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.485 -15.606 -9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.622 -16.827 -8.577 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.200 -15.252 -9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.325 -16.957 -9.044 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.346 -15.160 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.225 -16.585 -6.730 1.00 0.00 H new ATOM 607 N GLY A 42 14.329 -12.502 -7.824 1.00 0.00 N ATOM 608 CA GLY A 42 14.520 -11.179 -8.388 1.00 0.00 C ATOM 609 C GLY A 42 13.246 -10.358 -8.386 1.00 0.00 C ATOM 610 O GLY A 42 12.503 -10.350 -9.368 1.00 0.00 O ATOM 0 H GLY A 42 14.736 -12.636 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.288 -10.653 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.886 -11.273 -9.410 1.00 0.00 H new ATOM 614 N TYR A 43 12.991 -9.667 -7.280 1.00 0.00 N ATOM 615 CA TYR A 43 11.795 -8.843 -7.153 1.00 0.00 C ATOM 616 C TYR A 43 12.138 -7.362 -7.283 1.00 0.00 C ATOM 617 O TYR A 43 11.361 -6.577 -7.826 1.00 0.00 O ATOM 618 CB TYR A 43 11.111 -9.103 -5.810 1.00 0.00 C ATOM 619 CG TYR A 43 9.869 -8.270 -5.591 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.962 -6.936 -5.210 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.603 -8.815 -5.763 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.829 -6.171 -5.009 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.465 -8.056 -5.565 1.00 0.00 C ATOM 624 CZ TYR A 43 7.584 -6.735 -5.188 1.00 0.00 C ATOM 625 OH TYR A 43 6.453 -5.977 -4.988 1.00 0.00 O ATOM 0 H TYR A 43 13.596 -9.661 -6.459 1.00 0.00 H new ATOM 0 HA TYR A 43 11.112 -9.112 -7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.846 -10.158 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.819 -8.902 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.936 -6.491 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.506 -9.850 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.918 -5.136 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.488 -8.495 -5.705 1.00 0.00 H new ATOM 0 HH TYR A 43 5.658 -6.525 -5.157 1.00 0.00 H new ATOM 635 N LYS A 44 13.310 -6.987 -6.780 1.00 0.00 N ATOM 636 CA LYS A 44 13.760 -5.601 -6.840 1.00 0.00 C ATOM 637 C LYS A 44 14.031 -5.179 -8.281 1.00 0.00 C ATOM 638 O LYS A 44 13.638 -4.092 -8.704 1.00 0.00 O ATOM 639 CB LYS A 44 15.024 -5.417 -5.997 1.00 0.00 C ATOM 640 CG LYS A 44 14.752 -5.313 -4.507 1.00 0.00 C ATOM 641 CD LYS A 44 15.949 -4.751 -3.759 1.00 0.00 C ATOM 642 CE LYS A 44 15.999 -3.233 -3.846 1.00 0.00 C ATOM 643 NZ LYS A 44 17.128 -2.668 -3.057 1.00 0.00 N ATOM 0 H LYS A 44 13.965 -7.624 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 44 12.967 -4.970 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.696 -6.256 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.543 -4.517 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.884 -4.675 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.505 -6.298 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.901 -5.055 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.867 -5.170 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.099 -2.932 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.059 -2.818 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.127 -1.632 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.020 -2.933 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.027 -3.044 -3.419 1.00 0.00 H new ATOM 657 N LYS A 45 14.703 -6.046 -9.030 1.00 0.00 N ATOM 658 CA LYS A 45 15.024 -5.765 -10.424 1.00 0.00 C ATOM 659 C LYS A 45 13.811 -5.203 -11.159 1.00 0.00 C ATOM 660 O LYS A 45 13.919 -4.224 -11.898 1.00 0.00 O ATOM 661 CB LYS A 45 15.513 -7.036 -11.123 1.00 0.00 C ATOM 662 CG LYS A 45 16.984 -7.332 -10.887 1.00 0.00 C ATOM 663 CD LYS A 45 17.519 -8.335 -11.895 1.00 0.00 C ATOM 664 CE LYS A 45 17.257 -9.766 -11.450 1.00 0.00 C ATOM 665 NZ LYS A 45 17.990 -10.100 -10.197 1.00 0.00 N ATOM 0 H LYS A 45 15.036 -6.950 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 45 15.818 -5.018 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.920 -7.882 -10.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.337 -6.942 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.557 -6.407 -10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.121 -7.721 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.051 -8.163 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.590 -8.184 -12.027 1.00 0.00 H new ATOM 0 HE2 LYS A 45 16.188 -9.908 -11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.558 -10.453 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.160 -11.125 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.901 -9.598 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.422 -9.810 -9.375 1.00 0.00 H new ATOM 679 N VAL A 46 12.657 -5.828 -10.951 1.00 0.00 N ATOM 680 CA VAL A 46 11.423 -5.388 -11.592 1.00 0.00 C ATOM 681 C VAL A 46 10.805 -4.212 -10.845 1.00 0.00 C ATOM 682 O VAL A 46 10.307 -3.267 -11.457 1.00 0.00 O ATOM 683 CB VAL A 46 10.393 -6.531 -11.670 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.064 -6.016 -12.200 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.920 -7.663 -12.538 1.00 0.00 C ATOM 0 H VAL A 46 12.550 -6.641 -10.344 1.00 0.00 H new ATOM 0 HA VAL A 46 11.685 -5.075 -12.603 1.00 0.00 H new ATOM 0 HB VAL A 46 10.230 -6.920 -10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.349 -6.837 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.683 -5.241 -11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.207 -5.600 -13.197 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.180 -8.462 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.113 -7.291 -13.544 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.845 -8.049 -12.110 1.00 0.00 H new ATOM 695 N ILE A 47 10.840 -4.276 -9.518 1.00 0.00 N ATOM 696 CA ILE A 47 10.285 -3.215 -8.687 1.00 0.00 C ATOM 697 C ILE A 47 11.360 -2.211 -8.286 1.00 0.00 C ATOM 698 O ILE A 47 12.219 -2.503 -7.454 1.00 0.00 O ATOM 699 CB ILE A 47 9.628 -3.782 -7.415 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.519 -4.770 -7.784 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.075 -2.654 -6.556 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.526 -4.218 -8.782 1.00 0.00 C ATOM 0 H ILE A 47 11.247 -5.052 -8.995 1.00 0.00 H new ATOM 0 HA ILE A 47 9.526 -2.711 -9.285 1.00 0.00 H new ATOM 0 HB ILE A 47 10.386 -4.313 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.970 -5.673 -8.194 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.987 -5.062 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.614 -3.071 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.886 -1.985 -6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.329 -2.097 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.769 -4.972 -8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.047 -3.331 -8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.045 -3.952 -9.703 1.00 0.00 H new ATOM 714 N LYS A 48 11.305 -1.025 -8.882 1.00 0.00 N ATOM 715 CA LYS A 48 12.272 0.026 -8.586 1.00 0.00 C ATOM 716 C LYS A 48 12.131 0.504 -7.144 1.00 0.00 C ATOM 717 O LYS A 48 13.123 0.800 -6.478 1.00 0.00 O ATOM 718 CB LYS A 48 12.086 1.204 -9.546 1.00 0.00 C ATOM 719 CG LYS A 48 12.333 0.847 -11.001 1.00 0.00 C ATOM 720 CD LYS A 48 11.059 0.383 -11.686 1.00 0.00 C ATOM 721 CE LYS A 48 11.110 0.631 -13.186 1.00 0.00 C ATOM 722 NZ LYS A 48 10.879 2.064 -13.519 1.00 0.00 N ATOM 0 H LYS A 48 10.601 -0.767 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 48 13.272 -0.387 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.072 1.590 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.764 2.007 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.734 1.714 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.086 0.061 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.909 -0.680 -11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.204 0.906 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.080 0.320 -13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.358 0.017 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.803 2.173 -14.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.998 2.387 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.675 2.635 -13.168 1.00 0.00 H new ATOM 736 N LYS A 49 10.893 0.577 -6.668 1.00 0.00 N ATOM 737 CA LYS A 49 10.622 1.016 -5.304 1.00 0.00 C ATOM 738 C LYS A 49 9.625 0.085 -4.621 1.00 0.00 C ATOM 739 O LYS A 49 8.419 0.330 -4.607 1.00 0.00 O ATOM 740 CB LYS A 49 10.081 2.447 -5.306 1.00 0.00 C ATOM 741 CG LYS A 49 11.161 3.506 -5.168 1.00 0.00 C ATOM 742 CD LYS A 49 11.401 3.871 -3.712 1.00 0.00 C ATOM 743 CE LYS A 49 10.522 5.033 -3.277 1.00 0.00 C ATOM 744 NZ LYS A 49 11.159 5.834 -2.194 1.00 0.00 N ATOM 0 H LYS A 49 10.061 0.338 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 49 11.558 0.989 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.533 2.618 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.368 2.558 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.088 3.141 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.871 4.397 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.200 3.005 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.449 4.133 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.320 5.676 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.561 4.652 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.529 6.617 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.329 5.227 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.064 6.219 -2.533 1.00 0.00 H new ATOM 758 N PRO A 50 10.139 -1.008 -4.038 1.00 0.00 N ATOM 759 CA PRO A 50 9.311 -1.997 -3.340 1.00 0.00 C ATOM 760 C PRO A 50 8.735 -1.453 -2.037 1.00 0.00 C ATOM 761 O PRO A 50 9.294 -1.670 -0.963 1.00 0.00 O ATOM 762 CB PRO A 50 10.288 -3.141 -3.057 1.00 0.00 C ATOM 763 CG PRO A 50 11.630 -2.495 -3.026 1.00 0.00 C ATOM 764 CD PRO A 50 11.568 -1.364 -4.015 1.00 0.00 C ATOM 0 HA PRO A 50 8.445 -2.295 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.062 -3.629 -2.109 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.235 -3.907 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.863 -2.127 -2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.412 -3.206 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.187 -0.523 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.921 -1.671 -4.999 1.00 0.00 H new ATOM 772 N MET A 51 7.613 -0.748 -2.140 1.00 0.00 N ATOM 773 CA MET A 51 6.961 -0.175 -0.969 1.00 0.00 C ATOM 774 C MET A 51 5.925 -1.139 -0.398 1.00 0.00 C ATOM 775 O MET A 51 5.534 -2.105 -1.054 1.00 0.00 O ATOM 776 CB MET A 51 6.293 1.154 -1.328 1.00 0.00 C ATOM 777 CG MET A 51 5.864 1.966 -0.117 1.00 0.00 C ATOM 778 SD MET A 51 7.227 2.295 1.016 1.00 0.00 S ATOM 779 CE MET A 51 8.321 3.246 -0.036 1.00 0.00 C ATOM 0 H MET A 51 7.137 -0.560 -3.022 1.00 0.00 H new ATOM 0 HA MET A 51 7.724 0.003 -0.211 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.983 1.748 -1.927 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.420 0.956 -1.950 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.438 2.912 -0.451 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.076 1.431 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.071 3.746 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.815 2.580 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.743 3.991 -0.583 1.00 0.00 H new ATOM 789 N ASP A 52 5.487 -0.871 0.827 1.00 0.00 N ATOM 790 CA ASP A 52 4.496 -1.715 1.486 1.00 0.00 C ATOM 791 C ASP A 52 3.787 -0.951 2.600 1.00 0.00 C ATOM 792 O ASP A 52 4.402 -0.155 3.310 1.00 0.00 O ATOM 793 CB ASP A 52 5.160 -2.970 2.053 1.00 0.00 C ATOM 794 CG ASP A 52 6.468 -2.666 2.757 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.386 -2.133 2.098 1.00 0.00 O ATOM 796 OD2 ASP A 52 6.575 -2.960 3.966 1.00 0.00 O ATOM 0 H ASP A 52 5.802 -0.077 1.384 1.00 0.00 H new ATOM 0 HA ASP A 52 3.754 -2.010 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.478 -3.454 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.342 -3.678 1.244 1.00 0.00 H new ATOM 801 N PHE A 53 2.490 -1.199 2.748 1.00 0.00 N ATOM 802 CA PHE A 53 1.696 -0.534 3.774 1.00 0.00 C ATOM 803 C PHE A 53 2.401 -0.588 5.127 1.00 0.00 C ATOM 804 O PHE A 53 2.314 0.347 5.922 1.00 0.00 O ATOM 805 CB PHE A 53 0.314 -1.181 3.880 1.00 0.00 C ATOM 806 CG PHE A 53 -0.591 -0.855 2.727 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.729 0.451 2.286 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.302 -1.855 2.083 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.562 0.754 1.225 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.136 -1.558 1.021 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.265 -0.252 0.591 1.00 0.00 C ATOM 0 H PHE A 53 1.966 -1.856 2.170 1.00 0.00 H new ATOM 0 HA PHE A 53 1.578 0.511 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.432 -2.263 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.160 -0.857 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.180 1.241 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.204 -2.878 2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.663 1.776 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.686 -2.346 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.914 -0.018 -0.240 1.00 0.00 H new ATOM 821 N SER A 54 3.098 -1.691 5.380 1.00 0.00 N ATOM 822 CA SER A 54 3.815 -1.871 6.637 1.00 0.00 C ATOM 823 C SER A 54 4.765 -0.705 6.892 1.00 0.00 C ATOM 824 O SER A 54 4.721 -0.071 7.947 1.00 0.00 O ATOM 825 CB SER A 54 4.595 -3.186 6.620 1.00 0.00 C ATOM 826 OG SER A 54 5.281 -3.388 7.844 1.00 0.00 O ATOM 0 H SER A 54 3.181 -2.474 4.731 1.00 0.00 H new ATOM 0 HA SER A 54 3.082 -1.903 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.911 -4.016 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.309 -3.178 5.796 1.00 0.00 H new ATOM 0 HG SER A 54 5.771 -4.236 7.808 1.00 0.00 H new ATOM 832 N THR A 55 5.626 -0.428 5.918 1.00 0.00 N ATOM 833 CA THR A 55 6.589 0.660 6.036 1.00 0.00 C ATOM 834 C THR A 55 5.895 2.016 5.990 1.00 0.00 C ATOM 835 O THR A 55 6.082 2.850 6.876 1.00 0.00 O ATOM 836 CB THR A 55 7.646 0.598 4.916 1.00 0.00 C ATOM 837 OG1 THR A 55 8.443 -0.583 5.060 1.00 0.00 O ATOM 838 CG2 THR A 55 8.541 1.828 4.950 1.00 0.00 C ATOM 0 H THR A 55 5.676 -0.942 5.038 1.00 0.00 H new ATOM 0 HA THR A 55 7.084 0.541 7.000 1.00 0.00 H new ATOM 0 HB THR A 55 7.128 0.571 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.942 -1.358 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.279 1.763 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.935 2.723 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.051 1.880 5.912 1.00 0.00 H new ATOM 846 N ILE A 56 5.093 2.230 4.952 1.00 0.00 N ATOM 847 CA ILE A 56 4.370 3.486 4.792 1.00 0.00 C ATOM 848 C ILE A 56 3.824 3.979 6.128 1.00 0.00 C ATOM 849 O ILE A 56 3.855 5.175 6.419 1.00 0.00 O ATOM 850 CB ILE A 56 3.204 3.341 3.796 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.722 2.864 2.437 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.463 4.661 3.653 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.638 2.734 1.390 1.00 0.00 C ATOM 0 H ILE A 56 4.928 1.550 4.210 1.00 0.00 H new ATOM 0 HA ILE A 56 5.082 4.213 4.402 1.00 0.00 H new ATOM 0 HB ILE A 56 2.507 2.596 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.479 3.562 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.213 1.899 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.642 4.543 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.066 4.963 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.149 5.426 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.077 2.392 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.892 2.013 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.163 3.703 1.236 1.00 0.00 H new ATOM 865 N ARG A 57 3.326 3.050 6.937 1.00 0.00 N ATOM 866 CA ARG A 57 2.774 3.391 8.243 1.00 0.00 C ATOM 867 C ARG A 57 3.829 4.055 9.123 1.00 0.00 C ATOM 868 O ARG A 57 3.599 5.127 9.681 1.00 0.00 O ATOM 869 CB ARG A 57 2.233 2.138 8.934 1.00 0.00 C ATOM 870 CG ARG A 57 1.994 2.319 10.424 1.00 0.00 C ATOM 871 CD ARG A 57 0.754 3.158 10.691 1.00 0.00 C ATOM 872 NE ARG A 57 -0.473 2.379 10.554 1.00 0.00 N ATOM 873 CZ ARG A 57 -1.646 2.762 11.048 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.748 3.908 11.708 1.00 0.00 N ATOM 875 NH2 ARG A 57 -2.718 1.999 10.882 1.00 0.00 N ATOM 0 H ARG A 57 3.293 2.056 6.712 1.00 0.00 H new ATOM 0 HA ARG A 57 1.957 4.096 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.297 1.846 8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.936 1.319 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.883 1.343 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.862 2.797 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.808 3.575 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.729 3.999 9.998 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.428 1.492 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.925 4.497 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.649 4.200 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.643 1.117 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.618 2.294 11.262 1.00 0.00 H new ATOM 889 N GLU A 58 4.985 3.409 9.241 1.00 0.00 N ATOM 890 CA GLU A 58 6.074 3.938 10.054 1.00 0.00 C ATOM 891 C GLU A 58 6.475 5.334 9.586 1.00 0.00 C ATOM 892 O GLU A 58 6.587 6.261 10.388 1.00 0.00 O ATOM 893 CB GLU A 58 7.284 3.002 9.997 1.00 0.00 C ATOM 894 CG GLU A 58 7.106 1.728 10.805 1.00 0.00 C ATOM 895 CD GLU A 58 6.285 0.683 10.074 1.00 0.00 C ATOM 896 OE1 GLU A 58 5.042 0.715 10.192 1.00 0.00 O ATOM 897 OE2 GLU A 58 6.886 -0.167 9.384 1.00 0.00 O ATOM 0 H GLU A 58 5.191 2.520 8.785 1.00 0.00 H new ATOM 0 HA GLU A 58 5.724 4.006 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.480 2.739 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.162 3.534 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.086 1.314 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.622 1.967 11.752 1.00 0.00 H new ATOM 904 N LYS A 59 6.690 5.475 8.283 1.00 0.00 N ATOM 905 CA LYS A 59 7.078 6.757 7.706 1.00 0.00 C ATOM 906 C LYS A 59 6.010 7.815 7.964 1.00 0.00 C ATOM 907 O LYS A 59 6.318 8.935 8.374 1.00 0.00 O ATOM 908 CB LYS A 59 7.313 6.612 6.200 1.00 0.00 C ATOM 909 CG LYS A 59 8.483 5.708 5.852 1.00 0.00 C ATOM 910 CD LYS A 59 8.512 5.379 4.369 1.00 0.00 C ATOM 911 CE LYS A 59 9.077 6.533 3.554 1.00 0.00 C ATOM 912 NZ LYS A 59 9.257 6.164 2.122 1.00 0.00 N ATOM 0 H LYS A 59 6.602 4.717 7.606 1.00 0.00 H new ATOM 0 HA LYS A 59 8.004 7.076 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.409 6.217 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.487 7.599 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.416 6.194 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.415 4.786 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.115 4.486 4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.503 5.149 4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.408 7.391 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.035 6.839 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.895 6.847 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.667 5.211 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.335 6.177 1.642 1.00 0.00 H new ATOM 926 N LEU A 60 4.755 7.454 7.723 1.00 0.00 N ATOM 927 CA LEU A 60 3.640 8.372 7.931 1.00 0.00 C ATOM 928 C LEU A 60 3.645 8.919 9.355 1.00 0.00 C ATOM 929 O LEU A 60 3.672 10.132 9.565 1.00 0.00 O ATOM 930 CB LEU A 60 2.313 7.667 7.648 1.00 0.00 C ATOM 931 CG LEU A 60 1.190 8.547 7.097 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.141 7.814 7.160 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.116 9.859 7.864 1.00 0.00 C ATOM 0 H LEU A 60 4.483 6.531 7.383 1.00 0.00 H new ATOM 0 HA LEU A 60 3.755 9.207 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.497 6.861 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.965 7.205 8.572 1.00 0.00 H new ATOM 0 HG LEU A 60 1.408 8.772 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.929 8.455 6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.083 6.902 6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.367 7.559 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.312 10.473 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.921 9.655 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.062 10.391 7.767 1.00 0.00 H new ATOM 945 N SER A 61 3.620 8.017 10.331 1.00 0.00 N ATOM 946 CA SER A 61 3.619 8.409 11.735 1.00 0.00 C ATOM 947 C SER A 61 4.900 9.158 12.091 1.00 0.00 C ATOM 948 O SER A 61 4.862 10.197 12.750 1.00 0.00 O ATOM 949 CB SER A 61 3.470 7.177 12.630 1.00 0.00 C ATOM 950 OG SER A 61 3.787 7.484 13.977 1.00 0.00 O ATOM 0 H SER A 61 3.600 7.009 10.175 1.00 0.00 H new ATOM 0 HA SER A 61 2.772 9.074 11.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.449 6.801 12.570 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.124 6.382 12.271 1.00 0.00 H new ATOM 0 HG SER A 61 3.683 6.681 14.529 1.00 0.00 H new ATOM 956 N SER A 62 6.033 8.622 11.649 1.00 0.00 N ATOM 957 CA SER A 62 7.327 9.236 11.923 1.00 0.00 C ATOM 958 C SER A 62 7.380 10.659 11.375 1.00 0.00 C ATOM 959 O SER A 62 8.261 11.440 11.729 1.00 0.00 O ATOM 960 CB SER A 62 8.452 8.399 11.311 1.00 0.00 C ATOM 961 OG SER A 62 9.708 8.747 11.869 1.00 0.00 O ATOM 0 H SER A 62 6.081 7.764 11.100 1.00 0.00 H new ATOM 0 HA SER A 62 7.461 9.277 13.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.256 7.340 11.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.476 8.549 10.232 1.00 0.00 H new ATOM 0 HG SER A 62 9.773 9.722 11.947 1.00 0.00 H new ATOM 967 N GLY A 63 6.428 10.987 10.506 1.00 0.00 N ATOM 968 CA GLY A 63 6.384 12.315 9.922 1.00 0.00 C ATOM 969 C GLY A 63 7.380 12.485 8.792 1.00 0.00 C ATOM 970 O GLY A 63 8.039 13.519 8.688 1.00 0.00 O ATOM 0 H GLY A 63 5.687 10.357 10.197 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.379 12.511 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.587 13.056 10.696 1.00 0.00 H new ATOM 974 N GLN A 64 7.491 11.467 7.945 1.00 0.00 N ATOM 975 CA GLN A 64 8.416 11.508 6.819 1.00 0.00 C ATOM 976 C GLN A 64 7.816 12.281 5.649 1.00 0.00 C ATOM 977 O GLN A 64 8.535 12.916 4.877 1.00 0.00 O ATOM 978 CB GLN A 64 8.778 10.089 6.376 1.00 0.00 C ATOM 979 CG GLN A 64 9.379 9.240 7.485 1.00 0.00 C ATOM 980 CD GLN A 64 10.828 9.587 7.765 1.00 0.00 C ATOM 981 OE1 GLN A 64 11.442 10.369 7.039 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.382 9.007 8.823 1.00 0.00 N ATOM 0 H GLN A 64 6.952 10.604 8.017 1.00 0.00 H new ATOM 0 HA GLN A 64 9.321 12.021 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.883 9.596 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.485 10.145 5.549 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.795 9.372 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.308 8.187 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.836 8.365 9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.354 9.203 9.062 1.00 0.00 H new ATOM 991 N TYR A 65 6.495 12.222 5.524 1.00 0.00 N ATOM 992 CA TYR A 65 5.798 12.915 4.446 1.00 0.00 C ATOM 993 C TYR A 65 5.515 14.366 4.824 1.00 0.00 C ATOM 994 O TYR A 65 4.757 14.657 5.749 1.00 0.00 O ATOM 995 CB TYR A 65 4.488 12.198 4.115 1.00 0.00 C ATOM 996 CG TYR A 65 4.662 10.726 3.816 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.433 10.302 2.740 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.055 9.759 4.608 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.595 8.958 2.463 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.212 8.414 4.339 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.983 8.018 3.265 1.00 0.00 C ATOM 1002 OH TYR A 65 5.141 6.678 2.993 1.00 0.00 O ATOM 0 H TYR A 65 5.885 11.702 6.155 1.00 0.00 H new ATOM 0 HA TYR A 65 6.442 12.907 3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.800 12.311 4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.026 12.683 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.914 11.036 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.450 10.065 5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.198 8.646 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.734 7.676 4.966 1.00 0.00 H new ATOM 0 HH TYR A 65 5.798 6.565 2.275 1.00 0.00 H new ATOM 1012 N PRO A 66 6.140 15.299 4.091 1.00 0.00 N ATOM 1013 CA PRO A 66 5.971 16.736 4.328 1.00 0.00 C ATOM 1014 C PRO A 66 4.579 17.227 3.947 1.00 0.00 C ATOM 1015 O PRO A 66 4.076 18.197 4.511 1.00 0.00 O ATOM 1016 CB PRO A 66 7.029 17.372 3.423 1.00 0.00 C ATOM 1017 CG PRO A 66 7.249 16.374 2.339 1.00 0.00 C ATOM 1018 CD PRO A 66 7.058 15.024 2.973 1.00 0.00 C ATOM 0 HA PRO A 66 6.083 16.991 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.685 18.325 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.950 17.572 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.544 16.524 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.250 16.469 1.918 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.633 14.307 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.003 14.607 3.322 1.00 0.00 H new ATOM 1026 N ASN A 67 3.960 16.549 2.985 1.00 0.00 N ATOM 1027 CA ASN A 67 2.625 16.917 2.528 1.00 0.00 C ATOM 1028 C ASN A 67 1.876 15.698 2.000 1.00 0.00 C ATOM 1029 O ASN A 67 2.410 14.589 1.977 1.00 0.00 O ATOM 1030 CB ASN A 67 2.714 17.987 1.437 1.00 0.00 C ATOM 1031 CG ASN A 67 3.025 17.399 0.075 1.00 0.00 C ATOM 1032 OD1 ASN A 67 2.315 17.651 -0.899 1.00 0.00 O ATOM 1033 ND2 ASN A 67 4.091 16.611 0.000 1.00 0.00 N ATOM 0 H ASN A 67 4.362 15.742 2.507 1.00 0.00 H new ATOM 0 HA ASN A 67 2.075 17.319 3.378 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.771 18.531 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.486 18.710 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.350 16.187 -0.891 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.651 16.430 0.833 1.00 0.00 H new ATOM 1040 N LEU A 68 0.635 15.911 1.576 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.189 14.830 1.047 1.00 0.00 C ATOM 1042 C LEU A 68 0.418 14.256 -0.229 1.00 0.00 C ATOM 1043 O LEU A 68 0.578 13.043 -0.360 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.607 15.332 0.769 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.279 16.108 1.903 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.536 16.803 1.403 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.606 15.181 3.064 1.00 0.00 C ATOM 0 H LEU A 68 0.177 16.823 1.588 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.230 14.039 1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.578 15.970 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.233 14.474 0.522 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.584 16.869 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.000 17.350 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.274 17.499 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.235 16.059 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.083 15.751 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.282 14.396 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.687 14.731 3.440 1.00 0.00 H new ATOM 1059 N GLU A 69 0.756 15.137 -1.165 1.00 0.00 N ATOM 1060 CA GLU A 69 1.348 14.717 -2.430 1.00 0.00 C ATOM 1061 C GLU A 69 2.299 13.543 -2.223 1.00 0.00 C ATOM 1062 O GLU A 69 2.119 12.472 -2.804 1.00 0.00 O ATOM 1063 CB GLU A 69 2.095 15.883 -3.082 1.00 0.00 C ATOM 1064 CG GLU A 69 2.667 15.552 -4.450 1.00 0.00 C ATOM 1065 CD GLU A 69 3.141 16.783 -5.198 1.00 0.00 C ATOM 1066 OE1 GLU A 69 4.169 17.364 -4.792 1.00 0.00 O ATOM 1067 OE2 GLU A 69 2.484 17.163 -6.189 1.00 0.00 O ATOM 0 H GLU A 69 0.630 16.145 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 69 0.541 14.397 -3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.416 16.730 -3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.906 16.197 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.500 14.859 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.908 15.041 -5.043 1.00 0.00 H new ATOM 1074 N THR A 70 3.314 13.751 -1.389 1.00 0.00 N ATOM 1075 CA THR A 70 4.296 12.711 -1.105 1.00 0.00 C ATOM 1076 C THR A 70 3.617 11.424 -0.650 1.00 0.00 C ATOM 1077 O THR A 70 3.823 10.361 -1.235 1.00 0.00 O ATOM 1078 CB THR A 70 5.295 13.162 -0.024 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.589 13.621 1.135 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.195 14.271 -0.547 1.00 0.00 C ATOM 0 H THR A 70 3.477 14.630 -0.899 1.00 0.00 H new ATOM 0 HA THR A 70 4.837 12.525 -2.033 1.00 0.00 H new ATOM 0 HB THR A 70 5.916 12.307 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.738 14.023 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.892 14.573 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.753 13.910 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.586 15.126 -0.840 1.00 0.00 H new ATOM 1088 N PHE A 71 2.806 11.528 0.398 1.00 0.00 N ATOM 1089 CA PHE A 71 2.097 10.371 0.933 1.00 0.00 C ATOM 1090 C PHE A 71 1.413 9.588 -0.184 1.00 0.00 C ATOM 1091 O PHE A 71 1.528 8.365 -0.260 1.00 0.00 O ATOM 1092 CB PHE A 71 1.061 10.815 1.968 1.00 0.00 C ATOM 1093 CG PHE A 71 0.144 9.711 2.410 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.518 8.846 3.425 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -1.093 9.538 1.809 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.324 7.829 3.834 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.939 8.524 2.214 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.554 7.667 3.227 1.00 0.00 C ATOM 0 H PHE A 71 2.624 12.401 0.893 1.00 0.00 H new ATOM 0 HA PHE A 71 2.826 9.720 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.579 11.217 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.465 11.626 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.479 8.968 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.399 10.203 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.020 7.162 4.627 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.901 8.401 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.213 6.872 3.543 1.00 0.00 H new ATOM 1108 N ALA A 72 0.700 10.303 -1.049 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.001 9.677 -2.162 1.00 0.00 C ATOM 1110 C ALA A 72 0.971 8.946 -3.082 1.00 0.00 C ATOM 1111 O ALA A 72 0.752 7.788 -3.440 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.788 10.719 -2.943 1.00 0.00 C ATOM 0 H ALA A 72 0.593 11.316 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.696 8.943 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.307 10.237 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.516 11.193 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.105 11.474 -3.332 1.00 0.00 H new ATOM 1118 N LEU A 73 2.045 9.629 -3.463 1.00 0.00 N ATOM 1119 CA LEU A 73 3.051 9.045 -4.342 1.00 0.00 C ATOM 1120 C LEU A 73 3.429 7.641 -3.881 1.00 0.00 C ATOM 1121 O LEU A 73 3.502 6.711 -4.684 1.00 0.00 O ATOM 1122 CB LEU A 73 4.297 9.932 -4.385 1.00 0.00 C ATOM 1123 CG LEU A 73 4.186 11.204 -5.227 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.187 12.246 -4.754 1.00 0.00 C ATOM 1125 CD2 LEU A 73 4.397 10.889 -6.700 1.00 0.00 C ATOM 0 H LEU A 73 2.241 10.588 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 73 2.626 8.977 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.551 10.217 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.128 9.339 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 73 3.183 11.612 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.093 13.144 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.989 12.494 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.198 11.848 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.314 11.806 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.388 10.457 -6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.640 10.178 -7.032 1.00 0.00 H new ATOM 1137 N ASP A 74 3.666 7.495 -2.582 1.00 0.00 N ATOM 1138 CA ASP A 74 4.033 6.203 -2.013 1.00 0.00 C ATOM 1139 C ASP A 74 2.893 5.201 -2.161 1.00 0.00 C ATOM 1140 O ASP A 74 3.094 4.083 -2.637 1.00 0.00 O ATOM 1141 CB ASP A 74 4.403 6.360 -0.537 1.00 0.00 C ATOM 1142 CG ASP A 74 5.643 7.209 -0.337 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.590 8.417 -0.648 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.666 6.666 0.130 1.00 0.00 O ATOM 0 H ASP A 74 3.611 8.255 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 74 4.898 5.825 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.567 6.811 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.566 5.375 -0.100 1.00 0.00 H new ATOM 1149 N VAL A 75 1.697 5.607 -1.749 1.00 0.00 N ATOM 1150 CA VAL A 75 0.525 4.744 -1.835 1.00 0.00 C ATOM 1151 C VAL A 75 0.330 4.223 -3.255 1.00 0.00 C ATOM 1152 O VAL A 75 0.380 3.017 -3.496 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.751 5.485 -1.393 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.953 4.554 -1.441 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.573 6.067 0.001 1.00 0.00 C ATOM 0 H VAL A 75 1.514 6.529 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 75 0.700 3.904 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.931 6.308 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.845 5.095 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.091 4.190 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.786 3.709 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.484 6.587 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.368 5.263 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.261 6.769 -0.002 1.00 0.00 H new ATOM 1165 N ARG A 76 0.109 5.140 -4.191 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.094 4.772 -5.587 1.00 0.00 C ATOM 1167 C ARG A 76 0.959 3.767 -6.044 1.00 0.00 C ATOM 1168 O ARG A 76 0.653 2.812 -6.758 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.047 6.016 -6.476 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.077 7.070 -6.105 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.783 8.400 -6.781 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.628 9.474 -6.267 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.768 10.651 -6.867 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -1.121 10.903 -7.997 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.555 11.578 -6.338 1.00 0.00 N ATOM 0 H ARG A 76 0.066 6.143 -4.008 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.076 4.307 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.948 6.457 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.203 5.717 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.071 6.726 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.087 7.205 -5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.265 8.659 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.935 8.302 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.139 9.312 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.515 10.193 -8.407 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.230 11.807 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.054 11.388 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.661 12.481 -6.800 1.00 0.00 H new ATOM 1189 N LEU A 77 2.201 3.990 -5.627 1.00 0.00 N ATOM 1190 CA LEU A 77 3.301 3.104 -5.993 1.00 0.00 C ATOM 1191 C LEU A 77 3.043 1.684 -5.501 1.00 0.00 C ATOM 1192 O LEU A 77 3.186 0.720 -6.253 1.00 0.00 O ATOM 1193 CB LEU A 77 4.617 3.627 -5.414 1.00 0.00 C ATOM 1194 CG LEU A 77 5.807 2.669 -5.481 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.568 2.854 -6.785 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.729 2.880 -4.289 1.00 0.00 C ATOM 0 H LEU A 77 2.471 4.776 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 77 3.373 3.084 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.884 4.543 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.451 3.896 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 77 5.429 1.647 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.411 2.164 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.904 2.652 -7.626 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.935 3.878 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.570 2.190 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.099 3.905 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.179 2.696 -3.366 1.00 0.00 H new ATOM 1208 N VAL A 78 2.661 1.563 -4.234 1.00 0.00 N ATOM 1209 CA VAL A 78 2.380 0.260 -3.641 1.00 0.00 C ATOM 1210 C VAL A 78 1.578 -0.616 -4.596 1.00 0.00 C ATOM 1211 O VAL A 78 1.718 -1.839 -4.600 1.00 0.00 O ATOM 1212 CB VAL A 78 1.605 0.401 -2.318 1.00 0.00 C ATOM 1213 CG1 VAL A 78 1.248 -0.968 -1.759 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.414 1.203 -1.309 1.00 0.00 C ATOM 0 H VAL A 78 2.539 2.351 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 78 3.342 -0.211 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 78 0.678 0.939 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.701 -0.848 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.627 -1.503 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.160 -1.535 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.851 1.293 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.358 0.695 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.613 2.197 -1.710 1.00 0.00 H new ATOM 1224 N PHE A 79 0.736 0.017 -5.406 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.090 -0.705 -6.367 1.00 0.00 C ATOM 1226 C PHE A 79 0.583 -0.753 -7.735 1.00 0.00 C ATOM 1227 O PHE A 79 0.427 -1.720 -8.482 1.00 0.00 O ATOM 1228 CB PHE A 79 -1.466 -0.046 -6.486 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.025 0.417 -5.170 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.177 -0.470 -4.117 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.398 1.739 -4.987 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -2.691 -0.047 -2.906 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -2.913 2.168 -3.779 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.059 1.274 -2.736 1.00 0.00 C ATOM 0 H PHE A 79 0.608 1.029 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.214 -1.726 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.395 0.807 -7.161 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.161 -0.754 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.891 -1.504 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.285 2.442 -5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.805 -0.749 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.201 3.201 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.460 1.607 -1.790 1.00 0.00 H new ATOM 1244 N ASP A 80 1.331 0.296 -8.057 1.00 0.00 N ATOM 1245 CA ASP A 80 2.029 0.375 -9.335 1.00 0.00 C ATOM 1246 C ASP A 80 3.030 -0.768 -9.478 1.00 0.00 C ATOM 1247 O ASP A 80 3.088 -1.429 -10.514 1.00 0.00 O ATOM 1248 CB ASP A 80 2.748 1.718 -9.466 1.00 0.00 C ATOM 1249 CG ASP A 80 3.547 1.824 -10.750 1.00 0.00 C ATOM 1250 OD1 ASP A 80 4.642 1.227 -10.819 1.00 0.00 O ATOM 1251 OD2 ASP A 80 3.078 2.504 -11.686 1.00 0.00 O ATOM 0 H ASP A 80 1.470 1.104 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 80 1.289 0.289 -10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.015 2.524 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.414 1.855 -8.614 1.00 0.00 H new ATOM 1256 N ASN A 81 3.817 -0.993 -8.431 1.00 0.00 N ATOM 1257 CA ASN A 81 4.817 -2.054 -8.441 1.00 0.00 C ATOM 1258 C ASN A 81 4.154 -3.427 -8.495 1.00 0.00 C ATOM 1259 O ASN A 81 4.456 -4.240 -9.368 1.00 0.00 O ATOM 1260 CB ASN A 81 5.710 -1.954 -7.202 1.00 0.00 C ATOM 1261 CG ASN A 81 4.946 -1.495 -5.975 1.00 0.00 C ATOM 1262 OD1 ASN A 81 3.725 -1.638 -5.900 1.00 0.00 O ATOM 1263 ND2 ASN A 81 5.663 -0.939 -5.006 1.00 0.00 N ATOM 0 H ASN A 81 3.782 -0.455 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 81 5.431 -1.932 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 81 6.161 -2.926 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.526 -1.258 -7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.204 -0.610 -4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.673 -0.841 -5.111 1.00 0.00 H new ATOM 1270 N CYS A 82 3.248 -3.676 -7.556 1.00 0.00 N ATOM 1271 CA CYS A 82 2.541 -4.951 -7.495 1.00 0.00 C ATOM 1272 C CYS A 82 1.843 -5.248 -8.818 1.00 0.00 C ATOM 1273 O CYS A 82 2.177 -6.214 -9.503 1.00 0.00 O ATOM 1274 CB CYS A 82 1.519 -4.937 -6.357 1.00 0.00 C ATOM 1275 SG CYS A 82 0.512 -6.435 -6.251 1.00 0.00 S ATOM 0 H CYS A 82 2.986 -3.013 -6.827 1.00 0.00 H new ATOM 0 HA CYS A 82 3.273 -5.736 -7.306 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.045 -4.798 -5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.861 -4.078 -6.485 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.294 -6.345 -5.235 1.00 0.00 H new ATOM 1281 N GLU A 83 0.870 -4.413 -9.170 1.00 0.00 N ATOM 1282 CA GLU A 83 0.123 -4.589 -10.410 1.00 0.00 C ATOM 1283 C GLU A 83 1.056 -4.962 -11.558 1.00 0.00 C ATOM 1284 O GLU A 83 0.650 -5.624 -12.514 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.643 -3.311 -10.755 1.00 0.00 C ATOM 1286 CG GLU A 83 0.150 -2.338 -11.612 1.00 0.00 C ATOM 1287 CD GLU A 83 -0.600 -1.047 -11.875 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -1.045 -0.410 -10.897 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -0.742 -0.673 -13.058 1.00 0.00 O ATOM 0 H GLU A 83 0.581 -3.608 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.588 -5.402 -10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.561 -3.578 -11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.936 -2.813 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.095 -2.111 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.394 -2.812 -12.563 1.00 0.00 H new ATOM 1296 N THR A 84 2.310 -4.532 -11.458 1.00 0.00 N ATOM 1297 CA THR A 84 3.301 -4.818 -12.488 1.00 0.00 C ATOM 1298 C THR A 84 3.897 -6.210 -12.306 1.00 0.00 C ATOM 1299 O THR A 84 3.805 -7.056 -13.195 1.00 0.00 O ATOM 1300 CB THR A 84 4.439 -3.780 -12.477 1.00 0.00 C ATOM 1301 OG1 THR A 84 3.972 -2.536 -13.012 1.00 0.00 O ATOM 1302 CG2 THR A 84 5.628 -4.272 -13.287 1.00 0.00 C ATOM 0 H THR A 84 2.663 -3.984 -10.674 1.00 0.00 H new ATOM 0 HA THR A 84 2.784 -4.769 -13.446 1.00 0.00 H new ATOM 0 HB THR A 84 4.759 -3.634 -11.445 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.611 -1.983 -12.288 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.419 -3.522 -13.265 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.999 -5.204 -12.860 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.320 -4.443 -14.318 1.00 0.00 H new ATOM 1310 N PHE A 85 4.507 -6.440 -11.148 1.00 0.00 N ATOM 1311 CA PHE A 85 5.118 -7.730 -10.850 1.00 0.00 C ATOM 1312 C PHE A 85 4.066 -8.834 -10.810 1.00 0.00 C ATOM 1313 O PHE A 85 4.173 -9.835 -11.518 1.00 0.00 O ATOM 1314 CB PHE A 85 5.861 -7.670 -9.514 1.00 0.00 C ATOM 1315 CG PHE A 85 6.833 -8.798 -9.316 1.00 0.00 C ATOM 1316 CD1 PHE A 85 6.400 -10.030 -8.853 1.00 0.00 C ATOM 1317 CD2 PHE A 85 8.179 -8.626 -9.595 1.00 0.00 C ATOM 1318 CE1 PHE A 85 7.292 -11.069 -8.670 1.00 0.00 C ATOM 1319 CE2 PHE A 85 9.076 -9.662 -9.414 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.632 -10.885 -8.952 1.00 0.00 C ATOM 0 H PHE A 85 4.591 -5.750 -10.401 1.00 0.00 H new ATOM 0 HA PHE A 85 5.829 -7.959 -11.644 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.397 -6.723 -9.448 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.134 -7.681 -8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.353 -10.180 -8.633 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.531 -7.672 -9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.942 -12.024 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.123 -9.515 -9.634 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.331 -11.696 -8.811 1.00 0.00 H new ATOM 1330 N ASN A 86 3.049 -8.645 -9.975 1.00 0.00 N ATOM 1331 CA ASN A 86 1.977 -9.624 -9.841 1.00 0.00 C ATOM 1332 C ASN A 86 1.084 -9.627 -11.078 1.00 0.00 C ATOM 1333 O ASN A 86 0.941 -8.609 -11.754 1.00 0.00 O ATOM 1334 CB ASN A 86 1.140 -9.328 -8.595 1.00 0.00 C ATOM 1335 CG ASN A 86 1.947 -9.440 -7.316 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.965 -10.488 -6.670 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.620 -8.357 -6.945 1.00 0.00 N ATOM 0 H ASN A 86 2.945 -7.822 -9.381 1.00 0.00 H new ATOM 0 HA ASN A 86 2.431 -10.610 -9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.723 -8.324 -8.671 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.299 -10.020 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.181 -8.372 -6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.576 -7.510 -7.512 1.00 0.00 H new ATOM 1383 N SER A 90 -3.428 -13.893 -10.876 1.00 0.00 N ATOM 1384 CA SER A 90 -3.048 -14.276 -9.521 1.00 0.00 C ATOM 1385 C SER A 90 -3.868 -13.508 -8.489 1.00 0.00 C ATOM 1386 O SER A 90 -4.313 -12.389 -8.742 1.00 0.00 O ATOM 1387 CB SER A 90 -1.556 -14.022 -9.296 1.00 0.00 C ATOM 1388 OG SER A 90 -1.325 -12.690 -8.869 1.00 0.00 O ATOM 0 HA SER A 90 -3.250 -15.340 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.174 -14.718 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.008 -14.212 -10.219 1.00 0.00 H new ATOM 0 HG SER A 90 -0.365 -12.553 -8.731 1.00 0.00 H new ATOM 1394 N ASP A 91 -4.064 -14.119 -7.326 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.830 -13.493 -6.254 1.00 0.00 C ATOM 1396 C ASP A 91 -4.405 -12.041 -6.058 1.00 0.00 C ATOM 1397 O ASP A 91 -5.190 -11.119 -6.284 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.649 -14.270 -4.949 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.221 -15.672 -5.026 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -5.127 -16.293 -6.106 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.762 -16.149 -4.007 1.00 0.00 O ATOM 0 H ASP A 91 -3.704 -15.046 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.883 -13.510 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.588 -14.327 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.132 -13.728 -4.136 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.160 -11.845 -5.637 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.632 -10.506 -5.411 1.00 0.00 C ATOM 1408 C ILE A 92 -3.001 -9.569 -6.557 1.00 0.00 C ATOM 1409 O ILE A 92 -3.610 -8.522 -6.345 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.101 -10.524 -5.251 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.714 -11.153 -3.910 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.540 -9.114 -5.361 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.774 -11.127 -3.638 1.00 0.00 C ATOM 0 H ILE A 92 -2.498 -12.597 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.081 -10.142 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.674 -11.128 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.231 -10.626 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.061 -12.186 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.543 -9.143 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.790 -8.698 -6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.971 -8.489 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.975 -11.589 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.296 -11.679 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.124 -10.095 -3.627 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.629 -9.956 -7.773 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.930 -9.141 -8.935 1.00 0.00 C ATOM 1427 C GLY A 93 -4.274 -8.448 -8.825 1.00 0.00 C ATOM 1428 O GLY A 93 -4.342 -7.222 -8.728 1.00 0.00 O ATOM 0 H GLY A 93 -2.125 -10.819 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.148 -8.392 -9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.920 -9.768 -9.827 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.346 -9.233 -8.840 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.694 -8.687 -8.744 1.00 0.00 C ATOM 1434 C ARG A 94 -6.806 -7.718 -7.571 1.00 0.00 C ATOM 1435 O ARG A 94 -7.479 -6.692 -7.662 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.714 -9.816 -8.585 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.633 -10.868 -9.679 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.717 -11.923 -9.519 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.101 -12.511 -10.799 1.00 0.00 N ATOM 1440 CZ ARG A 94 -9.849 -11.885 -11.701 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.290 -10.657 -11.464 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -10.156 -12.487 -12.843 1.00 0.00 N ATOM 0 H ARG A 94 -5.307 -10.249 -8.918 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.905 -8.142 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.564 -10.297 -7.618 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.717 -9.390 -8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.731 -10.389 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.653 -11.345 -9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.363 -12.708 -8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.592 -11.475 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.777 -13.454 -11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.055 -10.191 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.864 -10.178 -12.158 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.818 -13.431 -13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.730 -12.006 -13.535 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.142 -8.052 -6.469 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.165 -7.211 -5.278 1.00 0.00 C ATOM 1458 C ALA A 95 -5.704 -5.793 -5.599 1.00 0.00 C ATOM 1459 O ALA A 95 -6.328 -4.818 -5.182 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.294 -7.817 -4.187 1.00 0.00 C ATOM 0 H ALA A 95 -5.581 -8.899 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.193 -7.159 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.320 -7.179 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.669 -8.808 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.268 -7.899 -4.545 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.607 -5.686 -6.343 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.082 -4.382 -6.706 1.00 0.00 C ATOM 1468 C GLY A 96 -5.115 -3.510 -7.390 1.00 0.00 C ATOM 1469 O GLY A 96 -5.379 -2.389 -6.955 1.00 0.00 O ATOM 0 H GLY A 96 -4.073 -6.478 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.721 -3.877 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.225 -4.510 -7.367 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.703 -4.025 -8.466 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.713 -3.284 -9.213 1.00 0.00 C ATOM 1475 C HIS A 97 -7.866 -2.869 -8.303 1.00 0.00 C ATOM 1476 O HIS A 97 -8.355 -1.743 -8.380 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.242 -4.129 -10.372 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.252 -4.312 -11.481 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -5.712 -3.259 -12.189 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.703 -5.435 -12.001 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -4.876 -3.726 -13.098 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -4.851 -5.044 -13.005 1.00 0.00 N ATOM 0 H HIS A 97 -5.497 -4.952 -8.839 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.246 -2.384 -9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.535 -5.108 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.141 -3.660 -10.772 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.898 -6.449 -11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -4.309 -3.132 -13.799 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.290 -5.669 -13.584 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.294 -3.787 -7.443 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.390 -3.516 -6.519 1.00 0.00 C ATOM 1492 C ASN A 98 -9.036 -2.370 -5.576 1.00 0.00 C ATOM 1493 O ASN A 98 -9.769 -1.386 -5.476 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.726 -4.771 -5.712 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.754 -5.646 -6.403 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.224 -5.325 -7.495 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.107 -6.758 -5.769 1.00 0.00 N ATOM 0 H ASN A 98 -7.899 -4.724 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.262 -3.225 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.816 -5.347 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.102 -4.479 -4.731 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.794 -7.386 -6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.691 -6.984 -4.865 1.00 0.00 H new ATOM 1504 N MET A 99 -7.908 -2.506 -4.887 1.00 0.00 N ATOM 1505 CA MET A 99 -7.455 -1.481 -3.953 1.00 0.00 C ATOM 1506 C MET A 99 -7.352 -0.124 -4.643 1.00 0.00 C ATOM 1507 O MET A 99 -8.087 0.807 -4.314 1.00 0.00 O ATOM 1508 CB MET A 99 -6.101 -1.867 -3.356 1.00 0.00 C ATOM 1509 CG MET A 99 -6.171 -3.051 -2.405 1.00 0.00 C ATOM 1510 SD MET A 99 -7.409 -2.831 -1.113 1.00 0.00 S ATOM 1511 CE MET A 99 -6.850 -1.302 -0.366 1.00 0.00 C ATOM 0 H MET A 99 -7.291 -3.315 -4.957 1.00 0.00 H new ATOM 0 HA MET A 99 -8.189 -1.406 -3.151 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.410 -2.102 -4.166 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.689 -1.009 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.399 -3.954 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.194 -3.201 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.103 -1.301 0.694 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.770 -1.214 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.337 -0.459 -0.856 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.436 -0.020 -5.600 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.236 1.223 -6.334 1.00 0.00 C ATOM 1523 C ARG A 100 -7.558 1.962 -6.523 1.00 0.00 C ATOM 1524 O ARG A 100 -7.713 3.102 -6.084 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.600 0.940 -7.696 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.301 2.194 -8.502 1.00 0.00 C ATOM 1527 CD ARG A 100 -4.627 1.859 -9.823 1.00 0.00 C ATOM 1528 NE ARG A 100 -3.172 1.811 -9.699 1.00 0.00 N ATOM 1529 CZ ARG A 100 -2.414 2.887 -9.523 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -2.968 4.089 -9.452 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -1.097 2.761 -9.419 1.00 0.00 N ATOM 0 H ARG A 100 -5.821 -0.782 -5.885 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.566 1.855 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.674 0.385 -7.547 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.267 0.298 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.228 2.735 -8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.658 2.856 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.992 0.897 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.903 2.604 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.713 0.901 -9.750 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.980 4.190 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.383 4.913 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.667 1.838 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.515 3.587 -9.284 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.509 1.305 -7.178 1.00 0.00 N ATOM 1546 CA LYS A 101 -9.818 1.897 -7.425 1.00 0.00 C ATOM 1547 C LYS A 101 -10.382 2.521 -6.152 1.00 0.00 C ATOM 1548 O LYS A 101 -10.972 3.601 -6.187 1.00 0.00 O ATOM 1549 CB LYS A 101 -10.787 0.839 -7.960 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.475 0.390 -9.377 1.00 0.00 C ATOM 1551 CD LYS A 101 -11.289 -0.833 -9.766 1.00 0.00 C ATOM 1552 CE LYS A 101 -10.578 -1.662 -10.824 1.00 0.00 C ATOM 1553 NZ LYS A 101 -11.507 -2.603 -11.508 1.00 0.00 N ATOM 0 H LYS A 101 -8.397 0.361 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.699 2.682 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.766 -0.028 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.801 1.238 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.684 1.203 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.412 0.163 -9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.471 -1.446 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.263 -0.519 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.125 -0.999 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.768 -2.224 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.984 -3.150 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.920 -3.253 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.267 -2.065 -11.972 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.195 1.835 -5.030 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.686 2.321 -3.746 1.00 0.00 C ATOM 1569 C TYR A 102 -9.882 3.531 -3.279 1.00 0.00 C ATOM 1570 O TYR A 102 -10.436 4.489 -2.740 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.616 1.212 -2.696 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.934 1.683 -1.295 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.828 2.724 -1.078 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.340 1.088 -0.189 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.121 3.159 0.200 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.629 1.514 1.093 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.520 2.550 1.282 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.809 2.980 2.558 1.00 0.00 O ATOM 0 H TYR A 102 -9.707 0.941 -4.984 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.725 2.625 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.312 0.419 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.617 0.777 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.302 3.201 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.640 0.278 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.817 3.971 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.160 1.039 1.942 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.336 2.296 3.022 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.571 3.479 -3.489 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.689 4.569 -3.090 1.00 0.00 C ATOM 1590 C PHE A 103 -8.221 5.910 -3.587 1.00 0.00 C ATOM 1591 O PHE A 103 -8.388 6.850 -2.810 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.277 4.336 -3.631 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.326 5.460 -3.332 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.205 5.957 -2.044 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.554 6.018 -4.338 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.331 6.991 -1.765 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.678 7.052 -4.064 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.568 7.540 -2.777 1.00 0.00 C ATOM 0 H PHE A 103 -8.096 2.693 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.654 4.593 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.882 3.414 -3.206 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.329 4.193 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.800 5.532 -1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.637 5.641 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.245 7.369 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.080 7.478 -4.856 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.886 8.350 -2.562 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.485 5.989 -4.888 1.00 0.00 N ATOM 1609 CA GLU A 104 -8.997 7.215 -5.489 1.00 0.00 C ATOM 1610 C GLU A 104 -10.382 7.552 -4.943 1.00 0.00 C ATOM 1611 O GLU A 104 -10.544 8.498 -4.172 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.058 7.076 -7.012 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.731 6.685 -7.641 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.472 5.192 -7.577 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.366 4.418 -7.980 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.377 4.798 -7.125 1.00 0.00 O ATOM 0 H GLU A 104 -8.353 5.220 -5.545 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.316 8.027 -5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.807 6.328 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.390 8.021 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.718 7.008 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.923 7.212 -7.133 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.377 6.771 -5.347 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.748 6.984 -4.899 1.00 0.00 C ATOM 1625 C LYS A 105 -12.780 7.453 -3.448 1.00 0.00 C ATOM 1626 O LYS A 105 -13.654 8.224 -3.053 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.561 5.696 -5.048 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.044 5.935 -5.275 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.334 6.304 -6.720 1.00 0.00 C ATOM 1630 CE LYS A 105 -16.615 7.115 -6.842 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.813 6.321 -6.453 1.00 0.00 N ATOM 0 H LYS A 105 -11.260 5.984 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.191 7.760 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.163 5.119 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.432 5.089 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.603 5.038 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.390 6.733 -4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.500 6.877 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.418 5.397 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.546 8.001 -6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.728 7.463 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.665 6.909 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.894 5.489 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.717 6.010 -5.465 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.820 6.984 -2.659 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.735 7.357 -1.252 1.00 0.00 C ATOM 1647 C LYS A 106 -10.995 8.680 -1.083 1.00 0.00 C ATOM 1648 O LYS A 106 -11.425 9.550 -0.325 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.027 6.260 -0.454 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.732 6.648 0.985 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.008 6.798 1.795 1.00 0.00 C ATOM 1652 CE LYS A 106 -11.718 6.860 3.287 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.957 7.077 4.084 1.00 0.00 N ATOM 0 H LYS A 106 -11.089 6.344 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.750 7.477 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.645 5.362 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.091 6.006 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.096 5.891 1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.176 7.585 1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.531 7.703 1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.673 5.960 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.241 5.932 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.012 7.666 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.717 7.113 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.399 7.975 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.621 6.295 3.913 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.884 8.826 -1.795 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.086 10.045 -1.725 1.00 0.00 C ATOM 1669 C TRP A 107 -9.873 11.242 -2.247 1.00 0.00 C ATOM 1670 O TRP A 107 -9.998 12.261 -1.567 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.793 9.880 -2.526 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.882 11.066 -2.434 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.001 12.245 -3.113 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.712 11.187 -1.618 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.975 13.092 -2.768 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.171 12.467 -1.852 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.069 10.340 -0.711 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.019 12.916 -1.212 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.926 10.787 -0.078 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.410 12.065 -0.330 1.00 0.00 C ATOM 0 H TRP A 107 -9.515 8.116 -2.427 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.836 10.226 -0.680 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.264 8.996 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.042 9.703 -3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.786 12.478 -3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.835 14.033 -3.135 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.459 9.353 -0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.620 13.901 -1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.421 10.140 0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.514 12.385 0.182 1.00 0.00 H new ATOM 1691 N THR A 108 -10.403 11.112 -3.459 1.00 0.00 N ATOM 1692 CA THR A 108 -11.177 12.184 -4.073 1.00 0.00 C ATOM 1693 C THR A 108 -12.256 12.695 -3.125 1.00 0.00 C ATOM 1694 O THR A 108 -12.667 13.853 -3.203 1.00 0.00 O ATOM 1695 CB THR A 108 -11.840 11.718 -5.384 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.559 12.803 -5.981 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.787 10.555 -5.128 1.00 0.00 C ATOM 0 H THR A 108 -10.310 10.275 -4.035 1.00 0.00 H new ATOM 0 HA THR A 108 -10.479 12.992 -4.294 1.00 0.00 H new ATOM 0 HB THR A 108 -11.056 11.384 -6.064 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.976 12.500 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.243 10.243 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.231 9.721 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.566 10.867 -4.432 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.711 11.825 -2.230 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.742 12.190 -1.265 1.00 0.00 C ATOM 1707 C ASP A 109 -13.125 12.836 -0.029 1.00 0.00 C ATOM 1708 O ASP A 109 -13.685 13.773 0.541 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.552 10.957 -0.862 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.920 11.316 -0.317 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.029 11.556 0.904 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.883 11.357 -1.111 1.00 0.00 O ATOM 0 H ASP A 109 -12.382 10.862 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.407 12.914 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.669 10.304 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.001 10.394 -0.109 1.00 0.00 H new ATOM 1717 N THR A 110 -11.967 12.327 0.383 1.00 0.00 N ATOM 1718 CA THR A 110 -11.275 12.852 1.553 1.00 0.00 C ATOM 1719 C THR A 110 -11.076 14.360 1.443 1.00 0.00 C ATOM 1720 O THR A 110 -11.601 15.126 2.252 1.00 0.00 O ATOM 1721 CB THR A 110 -9.904 12.177 1.744 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.074 10.771 1.951 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.163 12.783 2.927 1.00 0.00 C ATOM 0 H THR A 110 -11.489 11.552 -0.077 1.00 0.00 H new ATOM 0 HA THR A 110 -11.903 12.633 2.417 1.00 0.00 H new ATOM 0 HB THR A 110 -9.314 12.342 0.842 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.516 10.377 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.197 12.291 3.043 1.00 0.00 H new ATOM 0 HG22 THR A 110 -9.009 13.848 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.751 12.645 3.834 1.00 0.00 H new