USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 0.00203 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -60:sc= 0.795 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.55! K(o=-4.5!,f=-2.6) USER MOD Single : A 37 GLN : amide:sc= -3.64! C(o=-3.6!,f=-3.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 67 THR OG1 : rot 110:sc=-0.00738 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.132) USER MOD Single : A 84 THR OG1 : rot -162:sc= -0.0575 USER MOD Single : A 85 THR OG1 : rot 152:sc= 1.03 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.05! X(o=-1!,f=-1.5) USER MOD Single : A 92 CYS SG : rot -168:sc= -1.04 USER MOD Single : A 94 GLN : amide:sc=-0.00713 X(o=-0.0071,f=0) USER MOD Single : A 98 SER OG : rot -170:sc= -0.0872 USER MOD Single : A 100 GLN : amide:sc= -0.922 K(o=-0.92,f=-2.5!) USER MOD Single : A 101 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.4!) USER MOD Single : A 107 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.957 -1.792 -8.100 1.00 0.00 N ATOM 102 CA TYR A 10 -3.880 -0.693 -8.324 1.00 0.00 C ATOM 103 C TYR A 10 -3.153 0.653 -8.276 1.00 0.00 C ATOM 104 O TYR A 10 -2.110 0.776 -7.636 1.00 0.00 O ATOM 105 CB TYR A 10 -4.894 -0.752 -7.180 1.00 0.00 C ATOM 106 CG TYR A 10 -6.135 0.114 -7.402 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.833 0.027 -8.590 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.557 0.981 -6.415 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.002 0.843 -8.799 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.726 1.796 -6.624 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.391 1.687 -7.806 1.00 0.00 C ATOM 112 OH TYR A 10 -9.494 2.456 -8.003 1.00 0.00 O ATOM 0 HA TYR A 10 -4.350 -0.781 -9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.206 -1.787 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.405 -0.438 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.503 -0.652 -9.362 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.011 1.048 -5.486 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.557 0.786 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.067 2.478 -5.860 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.653 3.009 -7.210 1.00 0.00 H new ATOM 122 N GLU A 11 -3.733 1.628 -8.961 1.00 0.00 N ATOM 123 CA GLU A 11 -3.153 2.959 -9.004 1.00 0.00 C ATOM 124 C GLU A 11 -4.256 4.018 -9.033 1.00 0.00 C ATOM 125 O GLU A 11 -5.244 3.871 -9.752 1.00 0.00 O ATOM 126 CB GLU A 11 -2.215 3.111 -10.203 1.00 0.00 C ATOM 127 CG GLU A 11 -2.947 2.808 -11.513 1.00 0.00 C ATOM 128 CD GLU A 11 -2.792 1.336 -11.900 1.00 0.00 C ATOM 129 OE1 GLU A 11 -1.671 0.975 -12.319 1.00 0.00 O ATOM 130 OE2 GLU A 11 -3.798 0.606 -11.769 1.00 0.00 O ATOM 0 H GLU A 11 -4.598 1.522 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.560 3.104 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.816 4.125 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.365 2.437 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.004 3.050 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.553 3.440 -12.309 1.00 0.00 H new ATOM 137 N GLY A 12 -4.052 5.062 -8.244 1.00 0.00 N ATOM 138 CA GLY A 12 -5.017 6.146 -8.171 1.00 0.00 C ATOM 139 C GLY A 12 -4.480 7.303 -7.326 1.00 0.00 C ATOM 140 O GLY A 12 -3.507 7.141 -6.591 1.00 0.00 O ATOM 0 H GLY A 12 -3.232 5.181 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.247 6.501 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.949 5.779 -7.741 1.00 0.00 H new ATOM 144 N ILE A 13 -5.137 8.446 -7.460 1.00 0.00 N ATOM 145 CA ILE A 13 -4.738 9.630 -6.718 1.00 0.00 C ATOM 146 C ILE A 13 -4.927 9.377 -5.221 1.00 0.00 C ATOM 147 O ILE A 13 -5.908 8.758 -4.811 1.00 0.00 O ATOM 148 CB ILE A 13 -5.485 10.862 -7.233 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.864 11.376 -8.533 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.552 11.950 -6.160 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.702 12.329 -8.247 1.00 0.00 C ATOM 0 H ILE A 13 -5.943 8.577 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.680 9.839 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.510 10.570 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.510 10.534 -9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.622 11.889 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.088 12.815 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.074 11.565 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.541 12.246 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.279 12.679 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.064 13.181 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.934 11.806 -7.677 1.00 0.00 H new ATOM 163 N LEU A 14 -3.972 9.868 -4.445 1.00 0.00 N ATOM 164 CA LEU A 14 -4.021 9.703 -3.002 1.00 0.00 C ATOM 165 C LEU A 14 -3.301 10.875 -2.334 1.00 0.00 C ATOM 166 O LEU A 14 -2.108 11.082 -2.553 1.00 0.00 O ATOM 167 CB LEU A 14 -3.470 8.333 -2.601 1.00 0.00 C ATOM 168 CG LEU A 14 -4.501 7.212 -2.456 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.818 5.873 -2.167 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.547 7.562 -1.396 1.00 0.00 C ATOM 0 H LEU A 14 -3.160 10.380 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.053 9.721 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.733 8.028 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.942 8.439 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.027 7.107 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.573 5.093 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.144 5.624 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.250 5.947 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.268 6.748 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.055 7.710 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.065 8.477 -1.684 1.00 0.00 H new ATOM 182 N TYR A 15 -4.055 11.613 -1.533 1.00 0.00 N ATOM 183 CA TYR A 15 -3.503 12.760 -0.832 1.00 0.00 C ATOM 184 C TYR A 15 -2.854 12.336 0.487 1.00 0.00 C ATOM 185 O TYR A 15 -3.056 11.214 0.950 1.00 0.00 O ATOM 186 CB TYR A 15 -4.688 13.680 -0.531 1.00 0.00 C ATOM 187 CG TYR A 15 -5.290 14.345 -1.770 1.00 0.00 C ATOM 188 CD1 TYR A 15 -6.013 13.593 -2.674 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.111 15.696 -1.984 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.580 14.219 -3.841 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.678 16.322 -3.150 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.384 15.553 -4.021 1.00 0.00 C ATOM 193 OH TYR A 15 -6.919 16.144 -5.123 1.00 0.00 O ATOM 0 H TYR A 15 -5.044 11.439 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.738 13.248 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.464 13.103 -0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.366 14.455 0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.154 12.535 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.545 16.284 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.148 13.642 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.545 17.379 -3.329 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.700 17.099 -5.121 1.00 0.00 H new ATOM 203 N LYS A 16 -2.088 13.255 1.055 1.00 0.00 N ATOM 204 CA LYS A 16 -1.408 12.990 2.312 1.00 0.00 C ATOM 205 C LYS A 16 -1.526 14.217 3.219 1.00 0.00 C ATOM 206 O LYS A 16 -1.442 15.351 2.750 1.00 0.00 O ATOM 207 CB LYS A 16 0.035 12.550 2.058 1.00 0.00 C ATOM 208 CG LYS A 16 0.820 12.461 3.368 1.00 0.00 C ATOM 209 CD LYS A 16 1.693 11.205 3.401 1.00 0.00 C ATOM 210 CE LYS A 16 3.099 11.528 3.910 1.00 0.00 C ATOM 211 NZ LYS A 16 3.750 10.309 4.441 1.00 0.00 N ATOM 0 H LYS A 16 -1.923 14.184 0.668 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.883 12.160 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.041 11.581 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.521 13.257 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.446 13.346 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.128 12.449 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.233 10.455 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.754 10.774 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.699 11.945 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.044 12.288 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.703 10.545 4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.185 9.928 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.819 9.596 3.687 1.00 0.00 H new ATOM 225 N LYS A 17 -1.719 13.948 4.502 1.00 0.00 N ATOM 226 CA LYS A 17 -1.849 15.016 5.479 1.00 0.00 C ATOM 227 C LYS A 17 -0.457 15.509 5.878 1.00 0.00 C ATOM 228 O LYS A 17 0.451 14.707 6.092 1.00 0.00 O ATOM 229 CB LYS A 17 -2.702 14.558 6.663 1.00 0.00 C ATOM 230 CG LYS A 17 -3.049 15.735 7.577 1.00 0.00 C ATOM 231 CD LYS A 17 -4.079 15.325 8.632 1.00 0.00 C ATOM 232 CE LYS A 17 -4.652 16.551 9.345 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.031 16.712 10.679 1.00 0.00 N ATOM 0 H LYS A 17 -1.788 13.006 4.888 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.376 15.866 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.618 14.094 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.165 13.798 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.146 16.098 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.442 16.559 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.886 14.765 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.614 14.661 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.475 17.444 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.732 16.446 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.431 17.549 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.221 15.867 11.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.004 16.834 10.571 1.00 0.00 H new ATOM 337 N TRP A 24 -3.124 19.637 2.093 1.00 0.00 N ATOM 338 CA TRP A 24 -2.935 18.227 1.801 1.00 0.00 C ATOM 339 C TRP A 24 -2.454 18.103 0.354 1.00 0.00 C ATOM 340 O TRP A 24 -3.178 18.455 -0.576 1.00 0.00 O ATOM 341 CB TRP A 24 -4.215 17.434 2.076 1.00 0.00 C ATOM 342 CG TRP A 24 -4.617 17.394 3.552 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.405 18.326 4.491 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.315 16.324 4.223 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.912 17.936 5.713 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.483 16.680 5.546 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.788 15.095 3.730 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.126 15.864 6.484 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.428 14.290 4.680 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.606 14.635 6.015 1.00 0.00 C ATOM 0 HA TRP A 24 -2.179 17.796 2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.031 17.870 1.499 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.082 16.413 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.901 19.264 4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.875 18.471 6.580 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.667 14.796 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.245 16.166 7.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.810 13.334 4.353 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.112 13.958 6.687 1.00 0.00 H new ATOM 361 N LYS A 25 -1.236 17.602 0.210 1.00 0.00 N ATOM 362 CA LYS A 25 -0.651 17.427 -1.108 1.00 0.00 C ATOM 363 C LYS A 25 -1.237 16.173 -1.760 1.00 0.00 C ATOM 364 O LYS A 25 -1.503 15.183 -1.081 1.00 0.00 O ATOM 365 CB LYS A 25 0.877 17.417 -1.019 1.00 0.00 C ATOM 366 CG LYS A 25 1.483 18.548 -1.852 1.00 0.00 C ATOM 367 CD LYS A 25 1.908 18.045 -3.233 1.00 0.00 C ATOM 368 CE LYS A 25 1.446 19.004 -4.332 1.00 0.00 C ATOM 369 NZ LYS A 25 0.864 18.251 -5.465 1.00 0.00 N ATOM 0 H LYS A 25 -0.639 17.312 0.984 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.905 18.269 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.185 17.522 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.259 16.458 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.756 19.353 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.345 18.966 -1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.992 17.941 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.487 17.055 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.707 19.698 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.289 19.602 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.304 18.895 -6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.628 17.832 -6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.250 17.495 -5.100 1.00 0.00 H new ATOM 383 N ALA A 26 -1.420 16.257 -3.070 1.00 0.00 N ATOM 384 CA ALA A 26 -1.970 15.141 -3.821 1.00 0.00 C ATOM 385 C ALA A 26 -0.871 14.525 -4.689 1.00 0.00 C ATOM 386 O ALA A 26 -0.264 15.213 -5.509 1.00 0.00 O ATOM 387 CB ALA A 26 -3.165 15.621 -4.647 1.00 0.00 C ATOM 0 H ALA A 26 -1.197 17.080 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.331 14.365 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.578 14.784 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.929 16.023 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.841 16.399 -5.338 1.00 0.00 H new ATOM 393 N ARG A 27 -0.648 13.236 -4.479 1.00 0.00 N ATOM 394 CA ARG A 27 0.367 12.520 -5.232 1.00 0.00 C ATOM 395 C ARG A 27 -0.197 11.200 -5.762 1.00 0.00 C ATOM 396 O ARG A 27 -1.221 10.720 -5.278 1.00 0.00 O ATOM 397 CB ARG A 27 1.594 12.231 -4.365 1.00 0.00 C ATOM 398 CG ARG A 27 2.336 13.523 -4.016 1.00 0.00 C ATOM 399 CD ARG A 27 3.737 13.222 -3.478 1.00 0.00 C ATOM 400 NE ARG A 27 4.470 14.486 -3.244 1.00 0.00 N ATOM 401 CZ ARG A 27 4.197 15.340 -2.247 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.205 15.070 -1.388 1.00 0.00 N ATOM 403 NH2 ARG A 27 4.915 16.463 -2.111 1.00 0.00 N ATOM 0 H ARG A 27 -1.153 12.669 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 27 0.667 13.152 -6.068 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.286 11.726 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.265 11.553 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.410 14.155 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.769 14.083 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.665 12.656 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.283 12.601 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 27 5.231 14.722 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.658 14.215 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.997 15.719 -0.629 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.669 16.668 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.707 17.113 -1.353 1.00 0.00 H new ATOM 417 N TRP A 28 0.496 10.652 -6.750 1.00 0.00 N ATOM 418 CA TRP A 28 0.076 9.397 -7.350 1.00 0.00 C ATOM 419 C TRP A 28 0.669 8.255 -6.522 1.00 0.00 C ATOM 420 O TRP A 28 1.888 8.118 -6.430 1.00 0.00 O ATOM 421 CB TRP A 28 0.476 9.335 -8.826 1.00 0.00 C ATOM 422 CG TRP A 28 -0.122 8.148 -9.584 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.455 6.971 -9.861 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.446 8.070 -10.153 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.397 6.143 -10.565 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.590 6.833 -10.748 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.488 9.014 -10.165 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.761 6.427 -11.398 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.652 8.592 -10.819 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.812 7.351 -11.423 1.00 0.00 C ATOM 0 H TRP A 28 1.344 11.054 -7.149 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.010 9.308 -7.338 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.166 10.259 -9.315 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.563 9.287 -8.896 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.460 6.703 -9.570 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.189 5.199 -10.891 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.398 9.987 -9.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.849 5.453 -11.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.484 9.280 -10.857 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.743 7.100 -11.910 1.00 0.00 H new ATOM 441 N PHE A 29 -0.221 7.465 -5.941 1.00 0.00 N ATOM 442 CA PHE A 29 0.198 6.339 -5.123 1.00 0.00 C ATOM 443 C PHE A 29 0.109 5.028 -5.908 1.00 0.00 C ATOM 444 O PHE A 29 -0.434 4.997 -7.011 1.00 0.00 O ATOM 445 CB PHE A 29 -0.757 6.272 -3.930 1.00 0.00 C ATOM 446 CG PHE A 29 -0.348 7.161 -2.754 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.158 8.402 -2.985 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.492 6.711 -1.479 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.538 9.228 -1.893 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.112 7.537 -0.388 1.00 0.00 C ATOM 451 CZ PHE A 29 0.395 8.778 -0.618 1.00 0.00 C ATOM 0 H PHE A 29 -1.231 7.582 -6.020 1.00 0.00 H new ATOM 0 HA PHE A 29 1.233 6.473 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.755 6.560 -4.260 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.821 5.240 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.271 8.760 -3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.895 5.726 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.940 10.213 -2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.226 7.180 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.684 9.406 0.212 1.00 0.00 H new ATOM 461 N VAL A 30 0.650 3.978 -5.307 1.00 0.00 N ATOM 462 CA VAL A 30 0.638 2.668 -5.936 1.00 0.00 C ATOM 463 C VAL A 30 0.425 1.596 -4.865 1.00 0.00 C ATOM 464 O VAL A 30 1.219 1.478 -3.933 1.00 0.00 O ATOM 465 CB VAL A 30 1.922 2.463 -6.741 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.073 1.002 -7.170 1.00 0.00 C ATOM 467 CG2 VAL A 30 1.965 3.397 -7.952 1.00 0.00 C ATOM 0 H VAL A 30 1.099 4.008 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.188 2.590 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 30 2.765 2.712 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.994 0.884 -7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.110 0.365 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.223 0.715 -7.789 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.888 3.231 -8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.111 3.194 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.926 4.433 -7.614 1.00 0.00 H new ATOM 477 N LEU A 31 -0.650 0.841 -5.035 1.00 0.00 N ATOM 478 CA LEU A 31 -0.977 -0.218 -4.095 1.00 0.00 C ATOM 479 C LEU A 31 -0.414 -1.544 -4.611 1.00 0.00 C ATOM 480 O LEU A 31 -1.120 -2.308 -5.268 1.00 0.00 O ATOM 481 CB LEU A 31 -2.483 -0.251 -3.828 1.00 0.00 C ATOM 482 CG LEU A 31 -2.902 -0.554 -2.388 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.218 -2.040 -2.210 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.843 -0.070 -1.395 1.00 0.00 C ATOM 0 H LEU A 31 -1.306 0.941 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.510 -0.028 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.904 0.713 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.931 -1.000 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.818 -0.003 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.513 -2.228 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.033 -2.321 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.334 -2.631 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.166 -0.298 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.898 -0.574 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.710 1.007 -1.501 1.00 0.00 H new ATOM 496 N ASP A 32 0.851 -1.776 -4.295 1.00 0.00 N ATOM 497 CA ASP A 32 1.516 -2.997 -4.719 1.00 0.00 C ATOM 498 C ASP A 32 0.867 -4.194 -4.023 1.00 0.00 C ATOM 499 O ASP A 32 0.419 -4.087 -2.882 1.00 0.00 O ATOM 500 CB ASP A 32 2.998 -2.976 -4.340 1.00 0.00 C ATOM 501 CG ASP A 32 3.650 -4.354 -4.204 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.614 -5.100 -5.207 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.170 -4.630 -3.102 1.00 0.00 O ATOM 0 H ASP A 32 1.433 -1.140 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 32 1.421 -3.074 -5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.542 -2.406 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.109 -2.443 -3.395 1.00 0.00 H new ATOM 508 N LYS A 33 0.836 -5.309 -4.739 1.00 0.00 N ATOM 509 CA LYS A 33 0.248 -6.526 -4.205 1.00 0.00 C ATOM 510 C LYS A 33 1.301 -7.636 -4.200 1.00 0.00 C ATOM 511 O LYS A 33 1.398 -8.400 -3.242 1.00 0.00 O ATOM 512 CB LYS A 33 -1.024 -6.888 -4.972 1.00 0.00 C ATOM 513 CG LYS A 33 -0.868 -6.591 -6.465 1.00 0.00 C ATOM 514 CD LYS A 33 -1.813 -7.458 -7.299 1.00 0.00 C ATOM 515 CE LYS A 33 -1.106 -8.725 -7.788 1.00 0.00 C ATOM 516 NZ LYS A 33 -1.897 -9.926 -7.440 1.00 0.00 N ATOM 0 H LYS A 33 1.209 -5.395 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.063 -6.377 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.250 -7.945 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.867 -6.325 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.074 -5.537 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.163 -6.773 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.684 -7.730 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.177 -6.887 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.964 -8.676 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.115 -8.792 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.404 -10.777 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.011 -9.980 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.833 -9.867 -7.889 1.00 0.00 H new ATOM 530 N THR A 34 2.064 -7.689 -5.282 1.00 0.00 N ATOM 531 CA THR A 34 3.106 -8.693 -5.415 1.00 0.00 C ATOM 532 C THR A 34 4.005 -8.695 -4.177 1.00 0.00 C ATOM 533 O THR A 34 4.344 -9.755 -3.654 1.00 0.00 O ATOM 534 CB THR A 34 3.863 -8.418 -6.716 1.00 0.00 C ATOM 535 OG1 THR A 34 4.488 -7.157 -6.494 1.00 0.00 O ATOM 536 CG2 THR A 34 2.925 -8.167 -7.898 1.00 0.00 C ATOM 0 H THR A 34 1.981 -7.053 -6.075 1.00 0.00 H new ATOM 0 HA THR A 34 2.684 -9.696 -5.473 1.00 0.00 H new ATOM 0 HB THR A 34 4.513 -9.263 -6.943 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.803 -6.478 -6.323 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.514 -7.977 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.295 -9.043 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.297 -7.302 -7.687 1.00 0.00 H new ATOM 544 N LYS A 35 4.365 -7.496 -3.745 1.00 0.00 N ATOM 545 CA LYS A 35 5.219 -7.346 -2.578 1.00 0.00 C ATOM 546 C LYS A 35 4.440 -6.634 -1.470 1.00 0.00 C ATOM 547 O LYS A 35 5.011 -6.261 -0.446 1.00 0.00 O ATOM 548 CB LYS A 35 6.526 -6.648 -2.957 1.00 0.00 C ATOM 549 CG LYS A 35 7.272 -7.430 -4.040 1.00 0.00 C ATOM 550 CD LYS A 35 8.732 -7.660 -3.645 1.00 0.00 C ATOM 551 CE LYS A 35 9.550 -8.162 -4.836 1.00 0.00 C ATOM 552 NZ LYS A 35 9.526 -9.641 -4.894 1.00 0.00 N ATOM 0 H LYS A 35 4.081 -6.619 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 35 5.508 -8.322 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.314 -5.640 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.158 -6.548 -2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.781 -8.389 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.228 -6.884 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.162 -6.731 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.783 -8.385 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.148 -7.749 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.579 -7.812 -4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.086 -9.966 -5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.931 -10.029 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.544 -9.969 -4.996 1.00 0.00 H new ATOM 566 N HIS A 36 3.148 -6.466 -1.713 1.00 0.00 N ATOM 567 CA HIS A 36 2.286 -5.805 -0.748 1.00 0.00 C ATOM 568 C HIS A 36 3.020 -4.611 -0.136 1.00 0.00 C ATOM 569 O HIS A 36 3.526 -4.696 0.983 1.00 0.00 O ATOM 570 CB HIS A 36 1.787 -6.798 0.304 1.00 0.00 C ATOM 571 CG HIS A 36 2.848 -7.749 0.803 1.00 0.00 C ATOM 572 ND1 HIS A 36 2.802 -9.112 0.571 1.00 0.00 N ATOM 573 CD2 HIS A 36 3.983 -7.519 1.523 1.00 0.00 C ATOM 574 CE1 HIS A 36 3.866 -9.668 1.132 1.00 0.00 C ATOM 575 NE2 HIS A 36 4.597 -8.679 1.722 1.00 0.00 N ATOM 0 H HIS A 36 2.678 -6.776 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 36 1.398 -5.421 -1.251 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.384 -6.242 1.151 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.965 -7.376 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.325 -6.556 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.111 -10.720 1.124 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.471 -8.809 2.232 1.00 0.00 H new ATOM 583 N GLN A 37 3.057 -3.526 -0.895 1.00 0.00 N ATOM 584 CA GLN A 37 3.722 -2.317 -0.441 1.00 0.00 C ATOM 585 C GLN A 37 3.016 -1.081 -1.003 1.00 0.00 C ATOM 586 O GLN A 37 2.123 -1.198 -1.841 1.00 0.00 O ATOM 587 CB GLN A 37 5.202 -2.327 -0.828 1.00 0.00 C ATOM 588 CG GLN A 37 6.053 -2.961 0.274 1.00 0.00 C ATOM 589 CD GLN A 37 7.301 -3.625 -0.311 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.235 -4.618 -1.017 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.440 -3.023 0.021 1.00 0.00 N ATOM 0 H GLN A 37 2.637 -3.459 -1.822 1.00 0.00 H new ATOM 0 HA GLN A 37 3.666 -2.281 0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.335 -2.880 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.540 -1.307 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.347 -2.199 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.462 -3.701 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.424 -2.195 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.329 -3.390 -0.320 1.00 0.00 H new ATOM 600 N LEU A 38 3.443 0.076 -0.518 1.00 0.00 N ATOM 601 CA LEU A 38 2.863 1.333 -0.962 1.00 0.00 C ATOM 602 C LEU A 38 3.957 2.201 -1.587 1.00 0.00 C ATOM 603 O LEU A 38 4.792 2.760 -0.878 1.00 0.00 O ATOM 604 CB LEU A 38 2.119 2.014 0.188 1.00 0.00 C ATOM 605 CG LEU A 38 0.796 2.690 -0.176 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.218 2.560 0.962 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.018 4.149 -0.582 1.00 0.00 C ATOM 0 H LEU A 38 4.183 0.170 0.178 1.00 0.00 H new ATOM 0 HA LEU A 38 2.115 1.157 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.923 1.269 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.778 2.763 0.628 1.00 0.00 H new ATOM 0 HG LEU A 38 0.377 2.176 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.149 3.049 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.408 1.505 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.180 3.033 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.061 4.606 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.471 4.692 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.680 4.189 -1.447 1.00 0.00 H new ATOM 619 N ARG A 39 3.916 2.287 -2.909 1.00 0.00 N ATOM 620 CA ARG A 39 4.892 3.078 -3.638 1.00 0.00 C ATOM 621 C ARG A 39 4.275 4.405 -4.083 1.00 0.00 C ATOM 622 O ARG A 39 3.296 4.419 -4.829 1.00 0.00 O ATOM 623 CB ARG A 39 5.406 2.324 -4.866 1.00 0.00 C ATOM 624 CG ARG A 39 6.093 1.019 -4.460 1.00 0.00 C ATOM 625 CD ARG A 39 6.946 0.470 -5.606 1.00 0.00 C ATOM 626 NE ARG A 39 6.253 -0.668 -6.251 1.00 0.00 N ATOM 627 CZ ARG A 39 6.613 -1.197 -7.429 1.00 0.00 C ATOM 628 NH1 ARG A 39 7.660 -0.694 -8.097 1.00 0.00 N ATOM 629 NH2 ARG A 39 5.926 -2.228 -7.938 1.00 0.00 N ATOM 0 H ARG A 39 3.222 1.822 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 39 5.730 3.270 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.576 2.108 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.107 2.952 -5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.720 1.191 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.342 0.282 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.134 1.255 -6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.916 0.148 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 39 5.452 -1.075 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.183 0.091 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.934 -1.096 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.129 -2.611 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.200 -2.631 -8.834 1.00 0.00 H new ATOM 643 N TYR A 40 4.871 5.489 -3.608 1.00 0.00 N ATOM 644 CA TYR A 40 4.392 6.817 -3.949 1.00 0.00 C ATOM 645 C TYR A 40 5.534 7.697 -4.462 1.00 0.00 C ATOM 646 O TYR A 40 6.673 7.564 -4.018 1.00 0.00 O ATOM 647 CB TYR A 40 3.848 7.415 -2.650 1.00 0.00 C ATOM 648 CG TYR A 40 4.933 7.838 -1.657 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.473 6.911 -0.789 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.371 9.146 -1.630 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.495 7.309 0.145 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.392 9.544 -0.696 1.00 0.00 C ATOM 653 CZ TYR A 40 6.904 8.606 0.145 1.00 0.00 C ATOM 654 OH TYR A 40 7.868 8.982 1.028 1.00 0.00 O ATOM 0 H TYR A 40 5.682 5.474 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 40 3.637 6.763 -4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.233 8.282 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.196 6.685 -2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.129 5.887 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.948 9.871 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.927 6.594 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.743 10.565 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 40 8.062 9.936 0.914 1.00 0.00 H new ATOM 664 N TYR A 41 5.188 8.577 -5.391 1.00 0.00 N ATOM 665 CA TYR A 41 6.170 9.478 -5.970 1.00 0.00 C ATOM 666 C TYR A 41 5.623 10.905 -6.051 1.00 0.00 C ATOM 667 O TYR A 41 4.432 11.130 -5.845 1.00 0.00 O ATOM 668 CB TYR A 41 6.431 8.964 -7.387 1.00 0.00 C ATOM 669 CG TYR A 41 6.153 7.470 -7.568 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.853 7.010 -7.610 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.204 6.582 -7.688 1.00 0.00 C ATOM 672 CE1 TYR A 41 4.592 5.604 -7.780 1.00 0.00 C ATOM 673 CE2 TYR A 41 6.942 5.177 -7.858 1.00 0.00 C ATOM 674 CZ TYR A 41 5.649 4.757 -7.896 1.00 0.00 C ATOM 675 OH TYR A 41 5.402 3.429 -8.056 1.00 0.00 O ATOM 0 H TYR A 41 4.242 8.685 -5.757 1.00 0.00 H new ATOM 0 HA TYR A 41 7.074 9.503 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.811 9.526 -8.086 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.470 9.164 -7.650 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.031 7.704 -7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.222 6.942 -7.654 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.579 5.231 -7.815 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.754 4.472 -7.953 1.00 0.00 H new ATOM 0 HH TYR A 41 6.251 2.944 -8.126 1.00 0.00 H new ATOM 836 N VAL A 52 8.973 3.169 0.610 1.00 0.00 N ATOM 837 CA VAL A 52 7.767 2.389 0.395 1.00 0.00 C ATOM 838 C VAL A 52 7.082 2.136 1.740 1.00 0.00 C ATOM 839 O VAL A 52 7.673 2.366 2.794 1.00 0.00 O ATOM 840 CB VAL A 52 8.104 1.100 -0.356 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.858 1.402 -1.653 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.900 0.141 0.531 1.00 0.00 C ATOM 0 HA VAL A 52 7.063 2.939 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 52 7.166 0.611 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.085 0.468 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.240 2.029 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.786 1.924 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.127 -0.767 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.830 0.618 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.311 -0.112 1.413 1.00 0.00 H new ATOM 852 N ILE A 53 5.846 1.666 1.659 1.00 0.00 N ATOM 853 CA ILE A 53 5.075 1.379 2.857 1.00 0.00 C ATOM 854 C ILE A 53 4.616 -0.080 2.826 1.00 0.00 C ATOM 855 O ILE A 53 3.621 -0.408 2.181 1.00 0.00 O ATOM 856 CB ILE A 53 3.928 2.381 3.009 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.311 3.744 2.430 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.479 2.483 4.468 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.113 4.695 2.427 1.00 0.00 C ATOM 0 H ILE A 53 5.359 1.477 0.783 1.00 0.00 H new ATOM 0 HA ILE A 53 5.694 1.500 3.746 1.00 0.00 H new ATOM 0 HB ILE A 53 3.076 2.016 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.122 4.177 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.683 3.619 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.663 3.201 4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.138 1.507 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.315 2.814 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.413 5.657 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.313 4.270 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.758 4.837 3.448 1.00 0.00 H new ATOM 871 N ASP A 54 5.364 -0.917 3.530 1.00 0.00 N ATOM 872 CA ASP A 54 5.047 -2.334 3.591 1.00 0.00 C ATOM 873 C ASP A 54 3.632 -2.512 4.145 1.00 0.00 C ATOM 874 O ASP A 54 3.369 -2.183 5.301 1.00 0.00 O ATOM 875 CB ASP A 54 6.014 -3.076 4.516 1.00 0.00 C ATOM 876 CG ASP A 54 5.926 -4.602 4.454 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.085 -5.090 3.668 1.00 0.00 O ATOM 878 OD2 ASP A 54 6.701 -5.246 5.194 1.00 0.00 O ATOM 0 H ASP A 54 6.189 -0.641 4.063 1.00 0.00 H new ATOM 0 HA ASP A 54 5.128 -2.741 2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.032 -2.776 4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.828 -2.758 5.542 1.00 0.00 H new ATOM 883 N LEU A 55 2.759 -3.032 3.295 1.00 0.00 N ATOM 884 CA LEU A 55 1.378 -3.257 3.686 1.00 0.00 C ATOM 885 C LEU A 55 1.329 -4.327 4.778 1.00 0.00 C ATOM 886 O LEU A 55 0.411 -4.343 5.596 1.00 0.00 O ATOM 887 CB LEU A 55 0.522 -3.589 2.461 1.00 0.00 C ATOM 888 CG LEU A 55 0.508 -2.539 1.349 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.157 -3.088 0.085 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.151 -1.243 1.826 1.00 0.00 C ATOM 0 H LEU A 55 2.981 -3.304 2.337 1.00 0.00 H new ATOM 0 HA LEU A 55 0.949 -2.349 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.875 -4.531 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.503 -3.752 2.792 1.00 0.00 H new ATOM 0 HG LEU A 55 1.540 -2.300 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.154 -2.322 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.393 -3.961 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.185 -3.373 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.148 -0.514 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.179 -1.447 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.403 -0.844 2.676 1.00 0.00 H new ATOM 902 N ALA A 56 2.329 -5.196 4.755 1.00 0.00 N ATOM 903 CA ALA A 56 2.412 -6.268 5.733 1.00 0.00 C ATOM 904 C ALA A 56 2.683 -5.670 7.116 1.00 0.00 C ATOM 905 O ALA A 56 2.515 -6.345 8.130 1.00 0.00 O ATOM 906 CB ALA A 56 3.491 -7.265 5.308 1.00 0.00 C ATOM 0 H ALA A 56 3.089 -5.180 4.075 1.00 0.00 H new ATOM 0 HA ALA A 56 1.469 -6.812 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.553 -8.069 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.237 -7.682 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.453 -6.756 5.246 1.00 0.00 H new ATOM 912 N GLU A 57 3.096 -4.412 7.110 1.00 0.00 N ATOM 913 CA GLU A 57 3.391 -3.716 8.351 1.00 0.00 C ATOM 914 C GLU A 57 2.144 -2.995 8.866 1.00 0.00 C ATOM 915 O GLU A 57 2.018 -2.740 10.062 1.00 0.00 O ATOM 916 CB GLU A 57 4.554 -2.738 8.169 1.00 0.00 C ATOM 917 CG GLU A 57 5.889 -3.481 8.098 1.00 0.00 C ATOM 918 CD GLU A 57 6.460 -3.716 9.498 1.00 0.00 C ATOM 919 OE1 GLU A 57 7.107 -2.779 10.013 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.236 -4.829 10.023 1.00 0.00 O ATOM 0 H GLU A 57 3.233 -3.856 6.266 1.00 0.00 H new ATOM 0 HA GLU A 57 3.693 -4.454 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.407 -2.159 7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.571 -2.030 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.751 -4.437 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.599 -2.905 7.504 1.00 0.00 H new ATOM 927 N VAL A 58 1.252 -2.686 7.935 1.00 0.00 N ATOM 928 CA VAL A 58 0.019 -1.999 8.279 1.00 0.00 C ATOM 929 C VAL A 58 -0.773 -2.850 9.275 1.00 0.00 C ATOM 930 O VAL A 58 -0.985 -4.040 9.048 1.00 0.00 O ATOM 931 CB VAL A 58 -0.771 -1.675 7.010 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.162 -1.137 7.352 1.00 0.00 C ATOM 933 CG2 VAL A 58 -0.005 -0.689 6.125 1.00 0.00 C ATOM 0 H VAL A 58 1.359 -2.899 6.943 1.00 0.00 H new ATOM 0 HA VAL A 58 0.235 -1.047 8.764 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.898 -2.601 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.702 -0.915 6.432 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.711 -1.885 7.924 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.065 -0.227 7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.588 -0.475 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.167 0.236 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.952 -1.125 5.839 1.00 0.00 H new ATOM 943 N GLU A 59 -1.188 -2.206 10.356 1.00 0.00 N ATOM 944 CA GLU A 59 -1.952 -2.889 11.386 1.00 0.00 C ATOM 945 C GLU A 59 -3.439 -2.895 11.028 1.00 0.00 C ATOM 946 O GLU A 59 -4.164 -3.822 11.388 1.00 0.00 O ATOM 947 CB GLU A 59 -1.720 -2.247 12.756 1.00 0.00 C ATOM 948 CG GLU A 59 -0.342 -2.616 13.308 1.00 0.00 C ATOM 949 CD GLU A 59 -0.224 -4.126 13.526 1.00 0.00 C ATOM 950 OE1 GLU A 59 -1.184 -4.694 14.091 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.822 -4.677 13.122 1.00 0.00 O ATOM 0 H GLU A 59 -1.010 -1.219 10.541 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.608 -3.922 11.442 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.804 -1.163 12.673 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.494 -2.574 13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.432 -2.283 12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.172 -2.095 14.250 1.00 0.00 H new ATOM 958 N ALA A 60 -3.850 -1.851 10.324 1.00 0.00 N ATOM 959 CA ALA A 60 -5.238 -1.725 9.913 1.00 0.00 C ATOM 960 C ALA A 60 -5.500 -0.291 9.448 1.00 0.00 C ATOM 961 O ALA A 60 -4.607 0.554 9.499 1.00 0.00 O ATOM 962 CB ALA A 60 -6.152 -2.138 11.069 1.00 0.00 C ATOM 0 H ALA A 60 -3.246 -1.084 10.028 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.451 -2.388 9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.193 -2.044 10.761 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.947 -3.173 11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.967 -1.492 11.927 1.00 0.00 H new ATOM 968 N VAL A 61 -6.727 -0.062 9.004 1.00 0.00 N ATOM 969 CA VAL A 61 -7.117 1.255 8.529 1.00 0.00 C ATOM 970 C VAL A 61 -8.537 1.565 9.007 1.00 0.00 C ATOM 971 O VAL A 61 -9.306 0.654 9.311 1.00 0.00 O ATOM 972 CB VAL A 61 -6.968 1.329 7.008 1.00 0.00 C ATOM 973 CG1 VAL A 61 -7.138 -0.053 6.374 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.955 2.332 6.409 1.00 0.00 C ATOM 0 H VAL A 61 -7.464 -0.766 8.963 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.460 2.020 8.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.960 1.678 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.028 0.027 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.379 -0.730 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.128 -0.442 6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.828 2.365 5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.974 2.026 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.767 3.321 6.827 1.00 0.00 H new ATOM 984 N ALA A 62 -8.842 2.853 9.058 1.00 0.00 N ATOM 985 CA ALA A 62 -10.156 3.294 9.493 1.00 0.00 C ATOM 986 C ALA A 62 -10.544 4.561 8.728 1.00 0.00 C ATOM 987 O ALA A 62 -9.691 5.397 8.433 1.00 0.00 O ATOM 988 CB ALA A 62 -10.147 3.508 11.008 1.00 0.00 C ATOM 0 H ALA A 62 -8.202 3.606 8.805 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.907 2.535 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.133 3.839 11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.895 2.572 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.407 4.266 11.264 1.00 0.00 H new ATOM 994 N PRO A 63 -11.864 4.666 8.421 1.00 0.00 N ATOM 995 CA PRO A 63 -12.375 5.816 7.696 1.00 0.00 C ATOM 996 C PRO A 63 -12.454 7.046 8.603 1.00 0.00 C ATOM 997 O PRO A 63 -13.283 7.101 9.510 1.00 0.00 O ATOM 998 CB PRO A 63 -13.733 5.379 7.169 1.00 0.00 C ATOM 999 CG PRO A 63 -14.134 4.174 8.004 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.902 3.695 8.754 1.00 0.00 C ATOM 0 HA PRO A 63 -11.723 6.119 6.876 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.465 6.181 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.677 5.121 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.927 4.441 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.525 3.381 7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.081 3.660 9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.617 2.689 8.446 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.579 8.002 8.327 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.538 9.227 9.108 1.00 0.00 C ATOM 1010 C GLY A 64 -12.481 10.281 8.522 1.00 0.00 C ATOM 1011 O GLY A 64 -13.275 9.983 7.632 1.00 0.00 O ATOM 0 H GLY A 64 -10.893 7.953 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.819 9.015 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.520 9.616 9.129 1.00 0.00 H new ATOM 1015 N THR A 65 -12.361 11.492 9.047 1.00 0.00 N ATOM 1016 CA THR A 65 -13.192 12.592 8.587 1.00 0.00 C ATOM 1017 C THR A 65 -12.325 13.700 7.986 1.00 0.00 C ATOM 1018 O THR A 65 -11.123 13.758 8.238 1.00 0.00 O ATOM 1019 CB THR A 65 -14.048 13.061 9.765 1.00 0.00 C ATOM 1020 OG1 THR A 65 -13.194 12.913 10.896 1.00 0.00 O ATOM 1021 CG2 THR A 65 -15.216 12.116 10.054 1.00 0.00 C ATOM 0 H THR A 65 -11.701 11.735 9.786 1.00 0.00 H new ATOM 0 HA THR A 65 -13.860 12.276 7.786 1.00 0.00 H new ATOM 0 HB THR A 65 -14.432 14.060 9.558 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.670 13.197 11.704 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.791 12.496 10.899 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.859 12.054 9.176 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.831 11.125 10.293 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.987 14.575 7.182 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.290 15.678 6.543 1.00 0.00 C ATOM 1031 C PRO A 66 -11.978 16.787 7.551 1.00 0.00 C ATOM 1032 O PRO A 66 -12.879 17.493 8.001 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.216 16.134 5.427 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.589 15.582 5.772 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.411 14.537 6.861 1.00 0.00 C ATOM 0 HA PRO A 66 -11.319 15.387 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.238 17.222 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.877 15.761 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.247 16.381 6.114 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.055 15.140 4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.020 14.768 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.713 13.549 6.514 1.00 0.00 H new ATOM 1043 N THR A 67 -10.699 16.905 7.875 1.00 0.00 N ATOM 1044 CA THR A 67 -10.257 17.916 8.820 1.00 0.00 C ATOM 1045 C THR A 67 -9.889 19.207 8.088 1.00 0.00 C ATOM 1046 O THR A 67 -10.108 19.326 6.883 1.00 0.00 O ATOM 1047 CB THR A 67 -9.102 17.328 9.634 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.017 17.280 8.712 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.337 15.864 10.011 1.00 0.00 C ATOM 0 H THR A 67 -9.955 16.317 7.500 1.00 0.00 H new ATOM 0 HA THR A 67 -11.055 18.188 9.510 1.00 0.00 H new ATOM 0 HB THR A 67 -8.960 17.917 10.540 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.345 17.947 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.488 15.496 10.587 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.244 15.784 10.610 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.446 15.268 9.105 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.336 20.143 8.845 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.935 21.421 8.283 1.00 0.00 C ATOM 1059 C ILE A 68 -7.672 21.230 7.441 1.00 0.00 C ATOM 1060 O ILE A 68 -6.673 20.700 7.926 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.785 22.469 9.388 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.146 22.844 9.977 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.022 23.695 8.881 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.534 21.893 11.111 1.00 0.00 C ATOM 0 H ILE A 68 -9.156 20.041 9.844 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.708 21.803 7.616 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.195 22.033 10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.115 23.867 10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.905 22.813 9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.929 24.424 9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.029 23.393 8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.564 24.142 8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.505 22.182 11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.588 20.874 10.729 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.785 21.945 11.901 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.757 21.671 6.195 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.633 21.555 5.281 1.00 0.00 C ATOM 1078 C GLY A 69 -6.967 20.620 4.117 1.00 0.00 C ATOM 1079 O GLY A 69 -6.681 20.933 2.963 1.00 0.00 O ATOM 0 H GLY A 69 -8.587 22.110 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.369 22.540 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.762 21.178 5.816 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.568 19.490 4.461 1.00 0.00 N ATOM 1084 CA ALA A 70 -7.944 18.508 3.459 1.00 0.00 C ATOM 1085 C ALA A 70 -8.592 19.220 2.270 1.00 0.00 C ATOM 1086 O ALA A 70 -8.952 20.393 2.366 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.870 17.465 4.089 1.00 0.00 C ATOM 0 H ALA A 70 -7.804 19.233 5.420 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.064 17.982 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.152 16.728 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.353 16.967 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.765 17.956 4.470 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.725 18.462 1.149 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.324 19.009 -0.057 1.00 0.00 C ATOM 1095 C PRO A 71 -10.843 19.123 0.088 1.00 0.00 C ATOM 1096 O PRO A 71 -11.403 18.736 1.113 1.00 0.00 O ATOM 1097 CB PRO A 71 -8.903 18.062 -1.169 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.478 16.775 -0.482 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.311 17.070 1.000 1.00 0.00 C ATOM 0 HA PRO A 71 -8.991 20.025 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.726 17.882 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.083 18.483 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.225 15.996 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.544 16.407 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.926 16.407 1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.278 16.928 1.318 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.466 19.656 -0.953 1.00 0.00 N ATOM 1108 CA LYS A 72 -12.909 19.826 -0.954 1.00 0.00 C ATOM 1109 C LYS A 72 -13.551 18.694 -1.759 1.00 0.00 C ATOM 1110 O LYS A 72 -14.462 18.023 -1.276 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.284 21.223 -1.452 1.00 0.00 C ATOM 1112 CG LYS A 72 -14.611 21.197 -2.213 1.00 0.00 C ATOM 1113 CD LYS A 72 -15.367 22.516 -2.042 1.00 0.00 C ATOM 1114 CE LYS A 72 -16.823 22.375 -2.492 1.00 0.00 C ATOM 1115 NZ LYS A 72 -17.395 23.701 -2.816 1.00 0.00 N ATOM 0 H LYS A 72 -10.998 19.976 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.301 19.759 0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.359 21.906 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.496 21.605 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.424 21.016 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.225 20.372 -1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.334 22.826 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.877 23.298 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.879 21.725 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.409 21.902 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.383 23.588 -3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.359 24.310 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.845 24.138 -3.583 1.00 0.00 H new ATOM 1129 N THR A 73 -13.051 18.517 -2.973 1.00 0.00 N ATOM 1130 CA THR A 73 -13.564 17.478 -3.850 1.00 0.00 C ATOM 1131 C THR A 73 -13.776 16.179 -3.070 1.00 0.00 C ATOM 1132 O THR A 73 -14.809 15.527 -3.212 1.00 0.00 O ATOM 1133 CB THR A 73 -12.596 17.330 -5.025 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.371 16.928 -4.417 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.263 18.671 -5.682 1.00 0.00 C ATOM 0 H THR A 73 -12.296 19.076 -3.370 1.00 0.00 H new ATOM 0 HA THR A 73 -14.543 17.745 -4.249 1.00 0.00 H new ATOM 0 HB THR A 73 -13.027 16.659 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.687 16.807 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.573 18.509 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.178 19.130 -6.057 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.801 19.331 -4.948 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.781 15.841 -2.263 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.845 14.632 -1.460 1.00 0.00 C ATOM 1145 C VAL A 74 -14.025 14.730 -0.491 1.00 0.00 C ATOM 1146 O VAL A 74 -14.430 15.827 -0.109 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.508 14.402 -0.752 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.616 13.265 0.266 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.393 14.129 -1.763 1.00 0.00 C ATOM 0 H VAL A 74 -11.925 16.384 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.016 13.762 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.254 15.313 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.652 13.122 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.369 13.516 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.904 12.346 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.453 13.969 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.638 13.240 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.292 14.983 -2.432 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.545 13.569 -0.122 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.670 13.510 0.795 1.00 0.00 C ATOM 1161 C ASP A 75 -15.202 12.938 2.135 1.00 0.00 C ATOM 1162 O ASP A 75 -14.056 12.510 2.265 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.775 12.601 0.253 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.192 13.169 0.365 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.470 14.147 -0.362 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -18.964 12.611 1.174 1.00 0.00 O ATOM 0 H ASP A 75 -14.208 12.661 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.060 14.521 0.915 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.567 12.387 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.737 11.651 0.786 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.113 12.948 3.097 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.807 12.436 4.422 1.00 0.00 C ATOM 1173 C GLU A 76 -15.781 10.906 4.406 1.00 0.00 C ATOM 1174 O GLU A 76 -15.049 10.287 5.176 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.809 12.956 5.455 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.216 12.426 5.171 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.265 13.520 5.373 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.283 14.091 6.485 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.026 13.761 4.411 1.00 0.00 O ATOM 0 H GLU A 76 -17.063 13.302 2.985 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.819 12.794 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.497 12.652 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.818 14.046 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.268 12.052 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.431 11.585 5.830 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.587 10.341 3.520 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.665 8.896 3.394 1.00 0.00 C ATOM 1188 C LYS A 77 -15.620 8.419 2.383 1.00 0.00 C ATOM 1189 O LYS A 77 -15.921 7.610 1.508 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.093 8.464 3.052 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.083 8.958 4.108 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.502 8.477 3.797 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.413 9.652 3.438 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.596 9.179 2.684 1.00 0.00 N ATOM 0 H LYS A 77 -17.192 10.858 2.882 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.431 8.418 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.372 8.858 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.141 7.377 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.781 8.598 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.065 10.047 4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.476 7.767 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.908 7.948 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.733 10.162 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.861 10.379 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.204 9.989 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.286 8.712 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.131 8.503 3.266 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.412 8.942 2.539 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.321 8.580 1.651 1.00 0.00 C ATOM 1210 C ALA A 78 -12.019 8.513 2.451 1.00 0.00 C ATOM 1211 O ALA A 78 -11.262 7.550 2.333 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.245 9.584 0.499 1.00 0.00 C ATOM 0 H ALA A 78 -14.166 9.613 3.267 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.492 7.596 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.426 9.312 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.183 9.573 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.071 10.583 0.898 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.798 9.547 3.249 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.600 9.617 4.070 1.00 0.00 C ATOM 1220 C PHE A 79 -10.439 8.351 4.914 1.00 0.00 C ATOM 1221 O PHE A 79 -11.399 7.879 5.521 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.766 10.819 5.001 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.756 12.170 4.282 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.577 12.798 4.031 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.928 12.742 3.894 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.567 14.051 3.363 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -11.918 13.996 3.227 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.738 14.624 2.975 1.00 0.00 C ATOM 0 H PHE A 79 -12.428 10.344 3.345 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.719 9.712 3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.704 10.716 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.965 10.806 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.647 12.344 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.865 12.243 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.630 14.549 3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.848 14.451 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.731 15.577 2.467 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.218 7.838 4.926 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.919 6.636 5.686 1.00 0.00 C ATOM 1240 C PHE A 80 -7.486 6.669 6.221 1.00 0.00 C ATOM 1241 O PHE A 80 -6.546 6.937 5.474 1.00 0.00 O ATOM 1242 CB PHE A 80 -9.065 5.453 4.727 1.00 0.00 C ATOM 1243 CG PHE A 80 -8.018 5.422 3.612 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.133 6.262 2.548 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.973 4.554 3.684 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.161 6.233 1.513 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -6.002 4.525 2.649 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.116 5.365 1.585 1.00 0.00 C ATOM 0 H PHE A 80 -8.424 8.232 4.422 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.595 6.556 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.001 4.526 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.058 5.483 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.963 6.951 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.882 3.887 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.251 6.900 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.172 3.836 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.377 5.343 0.798 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.364 6.392 7.511 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.061 6.387 8.155 1.00 0.00 C ATOM 1260 C ASP A 81 -5.441 4.993 8.030 1.00 0.00 C ATOM 1261 O ASP A 81 -6.139 3.987 8.149 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.182 6.719 9.644 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.357 7.922 10.106 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.177 8.839 9.277 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -4.926 7.897 11.280 1.00 0.00 O ATOM 0 H ASP A 81 -8.146 6.169 8.127 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.440 7.138 7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.231 6.906 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.879 5.846 10.222 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.138 4.979 7.792 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.417 3.726 7.650 1.00 0.00 C ATOM 1272 C VAL A 82 -2.462 3.555 8.833 1.00 0.00 C ATOM 1273 O VAL A 82 -1.415 4.197 8.888 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.705 3.683 6.296 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.747 2.492 6.218 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.714 3.652 5.147 1.00 0.00 C ATOM 0 H VAL A 82 -3.563 5.816 7.694 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.108 2.883 7.666 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.115 4.594 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.254 2.485 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.997 2.576 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.307 1.566 6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.182 3.622 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.343 2.767 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.337 4.546 5.186 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.859 2.686 9.751 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.052 2.422 10.930 1.00 0.00 C ATOM 1288 C LYS A 83 -0.957 1.413 10.578 1.00 0.00 C ATOM 1289 O LYS A 83 -1.245 0.331 10.069 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.937 1.986 12.099 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.662 3.185 12.715 1.00 0.00 C ATOM 1292 CD LYS A 83 -5.170 3.097 12.474 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.905 4.244 13.171 1.00 0.00 C ATOM 1294 NZ LYS A 83 -7.345 3.932 13.303 1.00 0.00 N ATOM 0 H LYS A 83 -3.729 2.156 9.702 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.553 3.333 11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.667 1.253 11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.327 1.496 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.463 3.224 13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.275 4.109 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.373 3.128 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.546 2.142 12.843 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.472 4.415 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.777 5.165 12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.868 4.800 13.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.700 3.546 12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.480 3.231 14.059 1.00 0.00 H new ATOM 1308 N THR A 84 0.277 1.803 10.864 1.00 0.00 N ATOM 1309 CA THR A 84 1.416 0.946 10.584 1.00 0.00 C ATOM 1310 C THR A 84 2.317 0.836 11.816 1.00 0.00 C ATOM 1311 O THR A 84 1.960 1.310 12.894 1.00 0.00 O ATOM 1312 CB THR A 84 2.136 1.502 9.354 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.046 2.916 9.509 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.377 1.221 8.055 1.00 0.00 C ATOM 0 H THR A 84 0.512 2.701 11.287 1.00 0.00 H new ATOM 0 HA THR A 84 1.098 -0.072 10.360 1.00 0.00 H new ATOM 0 HB THR A 84 3.135 1.070 9.292 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.226 3.351 8.650 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.931 1.636 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.269 0.145 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.390 1.682 8.103 1.00 0.00 H new ATOM 1322 N THR A 85 3.466 0.208 11.616 1.00 0.00 N ATOM 1323 CA THR A 85 4.420 0.030 12.697 1.00 0.00 C ATOM 1324 C THR A 85 5.226 1.313 12.914 1.00 0.00 C ATOM 1325 O THR A 85 5.527 1.677 14.050 1.00 0.00 O ATOM 1326 CB THR A 85 5.289 -1.184 12.365 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.520 -1.074 10.964 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.532 -2.505 12.515 1.00 0.00 C ATOM 0 H THR A 85 3.758 -0.184 10.721 1.00 0.00 H new ATOM 0 HA THR A 85 3.914 -0.163 13.643 1.00 0.00 H new ATOM 0 HB THR A 85 6.164 -1.191 13.015 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.378 -1.491 10.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.195 -3.334 12.267 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.186 -2.611 13.543 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.675 -2.512 11.841 1.00 0.00 H new ATOM 1336 N ARG A 86 5.552 1.963 11.807 1.00 0.00 N ATOM 1337 CA ARG A 86 6.317 3.197 11.861 1.00 0.00 C ATOM 1338 C ARG A 86 5.487 4.308 12.509 1.00 0.00 C ATOM 1339 O ARG A 86 5.732 4.683 13.655 1.00 0.00 O ATOM 1340 CB ARG A 86 6.747 3.642 10.462 1.00 0.00 C ATOM 1341 CG ARG A 86 8.033 2.932 10.032 1.00 0.00 C ATOM 1342 CD ARG A 86 9.091 3.941 9.582 1.00 0.00 C ATOM 1343 NE ARG A 86 10.405 3.272 9.452 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.544 3.907 9.145 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.538 5.230 8.934 1.00 0.00 N ATOM 1346 NH2 ARG A 86 12.690 3.218 9.048 1.00 0.00 N ATOM 0 H ARG A 86 5.300 1.658 10.867 1.00 0.00 H new ATOM 0 HA ARG A 86 7.208 3.008 12.459 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.952 3.427 9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.902 4.721 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.420 2.339 10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.816 2.240 9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.802 4.382 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.158 4.756 10.303 1.00 0.00 H new ATOM 0 HE ARG A 86 10.446 2.264 9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.666 5.754 9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.405 5.713 8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.695 2.211 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.557 3.701 8.814 1.00 0.00 H new ATOM 1360 N ARG A 87 4.523 4.803 11.747 1.00 0.00 N ATOM 1361 CA ARG A 87 3.655 5.862 12.233 1.00 0.00 C ATOM 1362 C ARG A 87 2.308 5.820 11.508 1.00 0.00 C ATOM 1363 O ARG A 87 2.159 5.117 10.509 1.00 0.00 O ATOM 1364 CB ARG A 87 4.295 7.237 12.025 1.00 0.00 C ATOM 1365 CG ARG A 87 4.496 7.528 10.536 1.00 0.00 C ATOM 1366 CD ARG A 87 5.611 8.554 10.324 1.00 0.00 C ATOM 1367 NE ARG A 87 5.674 8.946 8.898 1.00 0.00 N ATOM 1368 CZ ARG A 87 6.357 8.272 7.963 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.040 7.168 8.297 1.00 0.00 N ATOM 1370 NH2 ARG A 87 6.357 8.701 6.694 1.00 0.00 N ATOM 0 H ARG A 87 4.324 4.490 10.797 1.00 0.00 H new ATOM 0 HA ARG A 87 3.502 5.702 13.300 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.663 8.007 12.468 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.255 7.277 12.540 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.742 6.605 10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.567 7.901 10.106 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.431 9.433 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.567 8.134 10.637 1.00 0.00 H new ATOM 0 HE ARG A 87 5.166 9.782 8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.040 6.841 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.560 6.655 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.837 9.541 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.877 8.188 5.982 1.00 0.00 H new ATOM 1384 N VAL A 88 1.362 6.580 12.040 1.00 0.00 N ATOM 1385 CA VAL A 88 0.033 6.638 11.456 1.00 0.00 C ATOM 1386 C VAL A 88 0.046 7.592 10.261 1.00 0.00 C ATOM 1387 O VAL A 88 0.663 8.655 10.317 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.991 7.031 12.523 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.190 7.745 11.897 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.439 5.809 13.328 1.00 0.00 C ATOM 0 H VAL A 88 1.490 7.161 12.869 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.264 5.657 11.085 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.509 7.727 13.210 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.902 8.013 12.678 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.851 8.648 11.389 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.672 7.083 11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.167 6.115 14.080 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.894 5.079 12.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.576 5.361 13.820 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.641 7.179 9.206 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.716 7.985 7.999 1.00 0.00 C ATOM 1402 C TYR A 89 -2.142 8.485 7.761 1.00 0.00 C ATOM 1403 O TYR A 89 -3.091 7.968 8.348 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.315 7.059 6.849 1.00 0.00 C ATOM 1405 CG TYR A 89 1.060 6.410 7.023 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.116 7.152 7.512 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.244 5.084 6.691 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.410 6.542 7.676 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.538 4.473 6.854 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.557 5.232 7.339 1.00 0.00 C ATOM 1411 OH TYR A 89 4.779 4.656 7.493 1.00 0.00 O ATOM 0 H TYR A 89 -1.151 6.297 9.162 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.068 8.858 8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.065 6.275 6.749 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.322 7.627 5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.972 8.190 7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.417 4.504 6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.245 7.111 8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.696 3.436 6.597 1.00 0.00 H new ATOM 0 HH TYR A 89 4.736 3.718 7.214 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.248 9.486 6.899 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.543 10.062 6.577 1.00 0.00 C ATOM 1423 C ASN A 90 -3.705 10.122 5.056 1.00 0.00 C ATOM 1424 O ASN A 90 -3.196 11.036 4.410 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.663 11.486 7.122 1.00 0.00 C ATOM 1426 CG ASN A 90 -3.219 11.553 8.584 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -2.117 11.965 8.907 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -4.135 11.126 9.448 1.00 0.00 N ATOM 0 H ASN A 90 -1.459 9.913 6.414 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.313 9.437 7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.053 12.161 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.695 11.826 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.934 11.131 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.038 10.794 9.111 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.415 9.135 4.530 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.650 9.064 3.097 1.00 0.00 C ATOM 1437 C PHE A 91 -6.146 9.137 2.783 1.00 0.00 C ATOM 1438 O PHE A 91 -6.979 8.869 3.648 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.106 7.716 2.621 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.595 7.557 2.797 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.774 8.629 2.628 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.072 6.345 3.124 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.371 8.481 2.792 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.669 6.198 3.288 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.152 7.269 3.118 1.00 0.00 C ATOM 0 H PHE A 91 -4.835 8.378 5.069 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.160 9.900 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.611 6.919 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.354 7.587 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.189 9.592 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.724 5.494 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.281 9.332 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.254 5.235 3.548 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.219 7.157 3.242 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.441 9.502 1.544 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.821 9.613 1.105 1.00 0.00 C ATOM 1457 C CYS A 92 -7.844 9.569 -0.424 1.00 0.00 C ATOM 1458 O CYS A 92 -6.888 9.987 -1.075 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.488 10.878 1.650 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.793 12.356 0.824 1.00 0.00 S ATOM 0 H CYS A 92 -5.747 9.725 0.830 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.399 8.778 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.564 10.831 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.333 10.946 2.727 1.00 0.00 H new ATOM 0 HG CYS A 92 -8.174 13.426 1.457 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.947 9.059 -0.953 1.00 0.00 N ATOM 1467 CA ALA A 93 -9.107 8.955 -2.393 1.00 0.00 C ATOM 1468 C ALA A 93 -9.849 10.189 -2.910 1.00 0.00 C ATOM 1469 O ALA A 93 -10.290 11.027 -2.124 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.834 7.653 -2.734 1.00 0.00 C ATOM 0 H ALA A 93 -9.738 8.713 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.135 8.924 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.954 7.575 -3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.252 6.806 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.815 7.649 -2.259 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.965 10.263 -4.228 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.646 11.380 -4.859 1.00 0.00 C ATOM 1478 C GLN A 94 -12.137 11.073 -5.014 1.00 0.00 C ATOM 1479 O GLN A 94 -12.859 11.810 -5.684 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.012 11.718 -6.209 1.00 0.00 C ATOM 1481 CG GLN A 94 -9.064 12.912 -6.087 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.490 14.048 -7.019 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -10.587 14.577 -6.935 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.565 14.393 -7.910 1.00 0.00 N ATOM 0 H GLN A 94 -9.598 9.566 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.540 12.254 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.466 10.853 -6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.793 11.942 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.052 13.267 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.048 12.600 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.667 13.909 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.753 15.141 -8.577 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.554 9.985 -4.385 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.945 9.571 -4.445 1.00 0.00 C ATOM 1495 C ASP A 95 -14.295 8.787 -3.179 1.00 0.00 C ATOM 1496 O ASP A 95 -13.408 8.283 -2.492 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.198 8.663 -5.650 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.306 9.134 -6.594 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -15.246 10.317 -6.993 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -16.187 8.301 -6.896 1.00 0.00 O ATOM 0 H ASP A 95 -11.952 9.376 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.560 10.467 -4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.272 8.572 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.449 7.666 -5.288 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.590 8.707 -2.909 1.00 0.00 N ATOM 1506 CA VAL A 96 -16.068 7.992 -1.738 1.00 0.00 C ATOM 1507 C VAL A 96 -15.950 6.486 -1.982 1.00 0.00 C ATOM 1508 O VAL A 96 -15.441 5.755 -1.135 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.494 8.434 -1.401 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.332 7.252 -0.909 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.488 9.568 -0.374 1.00 0.00 C ATOM 0 H VAL A 96 -16.323 9.126 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.455 8.229 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.953 8.812 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.341 7.593 -0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.377 6.489 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.876 6.830 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.513 9.863 -0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -17.002 9.228 0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.944 10.422 -0.778 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.443 6.057 -3.175 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.398 4.652 -3.541 1.00 0.00 C ATOM 1523 C PRO A 97 -14.980 4.233 -3.936 1.00 0.00 C ATOM 1524 O PRO A 97 -14.675 3.043 -3.999 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.398 4.509 -4.676 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.622 5.913 -5.214 1.00 0.00 C ATOM 1527 CD PRO A 97 -17.053 6.895 -4.203 1.00 0.00 C ATOM 0 HA PRO A 97 -16.659 3.993 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.014 3.849 -5.454 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.332 4.073 -4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.133 6.034 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.685 6.097 -5.369 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.318 7.556 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.834 7.530 -3.784 1.00 0.00 H new ATOM 1535 N SER A 98 -14.152 5.235 -4.193 1.00 0.00 N ATOM 1536 CA SER A 98 -12.774 4.985 -4.580 1.00 0.00 C ATOM 1537 C SER A 98 -11.925 4.698 -3.340 1.00 0.00 C ATOM 1538 O SER A 98 -11.012 3.875 -3.386 1.00 0.00 O ATOM 1539 CB SER A 98 -12.197 6.172 -5.356 1.00 0.00 C ATOM 1540 OG SER A 98 -12.672 6.215 -6.698 1.00 0.00 O ATOM 0 H SER A 98 -14.409 6.221 -4.141 1.00 0.00 H new ATOM 0 HA SER A 98 -12.755 4.113 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.461 7.100 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.109 6.109 -5.359 1.00 0.00 H new ATOM 0 HG SER A 98 -12.166 6.885 -7.203 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.257 5.393 -2.262 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.536 5.222 -1.011 1.00 0.00 C ATOM 1548 C ALA A 99 -11.798 3.818 -0.464 1.00 0.00 C ATOM 1549 O ALA A 99 -10.861 3.089 -0.142 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.953 6.318 -0.028 1.00 0.00 C ATOM 0 H ALA A 99 -13.015 6.075 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.462 5.318 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.413 6.190 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.719 7.295 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.025 6.251 0.159 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.076 3.480 -0.376 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.473 2.176 0.126 1.00 0.00 C ATOM 1558 C GLN A 100 -12.644 1.076 -0.540 1.00 0.00 C ATOM 1559 O GLN A 100 -12.207 0.136 0.123 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.969 1.939 -0.085 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.801 2.975 0.672 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.457 2.972 2.163 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -14.916 2.019 2.699 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -15.799 4.089 2.799 1.00 0.00 N ATOM 0 H GLN A 100 -13.850 4.087 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.283 2.148 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.202 1.987 -1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.233 0.937 0.254 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.621 3.966 0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.862 2.762 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.249 4.849 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.611 4.186 3.797 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.452 1.230 -1.842 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.683 0.261 -2.604 1.00 0.00 C ATOM 1575 C GLN A 101 -10.236 0.222 -2.107 1.00 0.00 C ATOM 1576 O GLN A 101 -9.616 -0.840 -2.076 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.740 0.573 -4.101 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.122 0.256 -4.675 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.022 -0.173 -6.141 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.966 -0.521 -6.642 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -14.178 -0.128 -6.797 1.00 0.00 N ATOM 0 H GLN A 101 -12.816 2.011 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.125 -0.724 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.506 1.625 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.982 -0.008 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.589 -0.537 -4.091 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.764 1.133 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.026 0.173 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.217 -0.395 -7.781 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.741 1.391 -1.731 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.380 1.504 -1.236 1.00 0.00 C ATOM 1592 C TRP A 102 -8.293 0.742 0.088 1.00 0.00 C ATOM 1593 O TRP A 102 -7.552 -0.233 0.200 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.961 2.970 -1.111 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.317 3.543 -2.375 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.872 4.347 -3.292 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.964 3.322 -2.827 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.980 4.659 -4.298 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.783 4.016 -4.006 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.928 2.561 -2.258 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.576 4.018 -4.716 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.729 2.573 -2.980 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.530 3.266 -4.168 1.00 0.00 C ATOM 0 H TRP A 102 -10.259 2.269 -1.759 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.676 1.060 -1.940 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.837 3.567 -0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.260 3.067 -0.282 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.890 4.706 -3.249 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.165 5.252 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.048 2.011 -1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.458 4.570 -5.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.900 2.004 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.573 3.225 -4.666 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.061 1.217 1.058 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.080 0.593 2.370 1.00 0.00 C ATOM 1616 C VAL A 103 -9.191 -0.924 2.207 1.00 0.00 C ATOM 1617 O VAL A 103 -8.308 -1.664 2.638 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.208 1.188 3.216 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.375 0.417 4.527 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -9.970 2.675 3.481 1.00 0.00 C ATOM 0 H VAL A 103 -9.674 2.026 0.961 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.151 0.795 2.903 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.135 1.094 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.183 0.860 5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.614 -0.624 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.448 0.465 5.098 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.786 3.072 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.029 2.803 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.925 3.211 2.533 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.282 -1.342 1.584 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.520 -2.758 1.359 1.00 0.00 C ATOM 1632 C ASP A 104 -9.222 -3.421 0.894 1.00 0.00 C ATOM 1633 O ASP A 104 -8.788 -4.416 1.470 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.576 -2.973 0.273 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.058 -4.417 0.117 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.313 -5.047 1.167 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -12.160 -4.858 -1.048 1.00 0.00 O ATOM 0 H ASP A 104 -11.012 -0.725 1.228 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.871 -3.194 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.436 -2.340 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.169 -2.637 -0.680 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.638 -2.841 -0.145 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.399 -3.363 -0.695 1.00 0.00 C ATOM 1644 C ARG A 105 -6.349 -3.508 0.409 1.00 0.00 C ATOM 1645 O ARG A 105 -5.959 -4.622 0.757 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.853 -2.446 -1.791 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.090 -3.047 -3.178 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.561 -2.122 -4.275 1.00 0.00 C ATOM 1649 NE ARG A 105 -6.700 -2.773 -5.597 1.00 0.00 N ATOM 1650 CZ ARG A 105 -5.959 -3.812 -6.004 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -5.023 -4.326 -5.194 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -6.154 -4.339 -7.220 1.00 0.00 N ATOM 0 H ARG A 105 -9.001 -2.014 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.614 -4.340 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.334 -1.470 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.786 -2.286 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.597 -4.017 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.156 -3.220 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.110 -1.181 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.514 -1.882 -4.087 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.404 -2.408 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.875 -3.926 -4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.459 -5.117 -5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.867 -3.949 -7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.589 -5.130 -7.529 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.921 -2.367 0.928 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.924 -2.353 1.985 1.00 0.00 C ATOM 1668 C ILE A 106 -5.333 -3.341 3.079 1.00 0.00 C ATOM 1669 O ILE A 106 -4.501 -4.096 3.581 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.703 -0.927 2.495 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.224 -0.010 1.368 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.748 -0.914 3.690 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.876 1.370 1.470 1.00 0.00 C ATOM 0 H ILE A 106 -6.246 -1.445 0.636 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.958 -2.683 1.602 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.659 -0.537 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.140 0.092 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.462 -0.458 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.608 0.111 4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.168 -1.513 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.786 -1.331 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.518 2.002 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.959 1.267 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.616 1.826 2.425 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.614 -3.304 3.416 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.143 -4.187 4.442 1.00 0.00 C ATOM 1687 C GLN A 107 -7.082 -5.642 3.973 1.00 0.00 C ATOM 1688 O GLN A 107 -7.038 -6.560 4.790 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.572 -3.793 4.821 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.588 -2.958 6.103 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.173 -3.756 7.270 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.297 -4.969 7.225 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.523 -3.010 8.314 1.00 0.00 N ATOM 0 H GLN A 107 -7.301 -2.677 2.997 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.525 -4.087 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.025 -3.226 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.176 -4.690 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.574 -2.640 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.176 -2.054 5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.392 -1.999 8.285 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.923 -3.449 9.143 1.00 0.00 H new ATOM 1702 N SER A 108 -7.082 -5.807 2.658 1.00 0.00 N ATOM 1703 CA SER A 108 -7.027 -7.135 2.071 1.00 0.00 C ATOM 1704 C SER A 108 -5.623 -7.721 2.230 1.00 0.00 C ATOM 1705 O SER A 108 -5.388 -8.881 1.897 1.00 0.00 O ATOM 1706 CB SER A 108 -7.423 -7.100 0.593 1.00 0.00 C ATOM 1707 OG SER A 108 -8.157 -8.260 0.210 1.00 0.00 O ATOM 0 H SER A 108 -7.119 -5.043 1.983 1.00 0.00 H new ATOM 0 HA SER A 108 -7.740 -7.770 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.023 -6.211 0.399 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.526 -7.019 -0.021 1.00 0.00 H new ATOM 0 HG SER A 108 -8.393 -8.199 -0.739 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.725 -6.890 2.740 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.349 -7.311 2.948 1.00 0.00 C ATOM 1715 C CYS A 109 -2.811 -6.598 4.191 1.00 0.00 C ATOM 1716 O CYS A 109 -1.937 -5.740 4.088 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.483 -7.043 1.716 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.712 -8.600 1.142 1.00 0.00 S ATOM 0 H CYS A 109 -4.923 -5.928 3.015 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.316 -8.389 3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.092 -6.614 0.920 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.711 -6.312 1.956 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.981 -8.361 0.094 1.00 0.00 H new