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 Set 1.1: A 10 TYR OH : rot 82:sc= 0.0316 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.0285 X(o=0.06,f=-0.43) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -37:sc= 0.952 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.05 F(o=-3.9!,f=-2) USER MOD Single : A 37 GLN : amide:sc= -0.809 K(o=-0.81,f=-2.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 165:sc= -1.11 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 67 THR OG1 : rot 100:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 51:sc= 0.908 USER MOD Single : A 85 THR OG1 : rot 168:sc= 0.0712 USER MOD Single : A 89 TYR OH : rot -15:sc= -3.87! USER MOD Single : A 90 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.4!) USER MOD Single : A 92 CYS SG : rot 178:sc= -1.33 USER MOD Single : A 94 GLN :FLIP amide:sc= -3.88! C(o=-5.4!,f=-3.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.869 K(o=-0.87,f=-2.6!) USER MOD Single : A 107 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.5!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot -90:sc= -1.36 USER MOD ----------------------------------------------------------------- ATOM 101 N TYR A 10 -2.642 -2.020 -7.956 1.00 0.00 N ATOM 102 CA TYR A 10 -3.553 -0.897 -8.100 1.00 0.00 C ATOM 103 C TYR A 10 -2.786 0.424 -8.190 1.00 0.00 C ATOM 104 O TYR A 10 -1.669 0.532 -7.688 1.00 0.00 O ATOM 105 CB TYR A 10 -4.414 -0.888 -6.836 1.00 0.00 C ATOM 106 CG TYR A 10 -5.809 -0.292 -7.037 1.00 0.00 C ATOM 107 CD1 TYR A 10 -6.558 -0.648 -8.139 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.317 0.600 -6.115 1.00 0.00 C ATOM 109 CE1 TYR A 10 -7.871 -0.087 -8.329 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.630 1.161 -6.304 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.342 0.790 -7.402 1.00 0.00 C ATOM 112 OH TYR A 10 -9.582 1.320 -7.580 1.00 0.00 O ATOM 0 HA TYR A 10 -4.146 -0.998 -9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.516 -1.910 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.897 -0.323 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.160 -1.347 -8.859 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.730 0.877 -5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.468 -0.357 -9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.040 1.860 -5.590 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.258 0.684 -7.266 1.00 0.00 H new ATOM 122 N GLU A 11 -3.417 1.395 -8.835 1.00 0.00 N ATOM 123 CA GLU A 11 -2.808 2.704 -8.997 1.00 0.00 C ATOM 124 C GLU A 11 -3.888 3.774 -9.169 1.00 0.00 C ATOM 125 O GLU A 11 -4.705 3.694 -10.085 1.00 0.00 O ATOM 126 CB GLU A 11 -1.834 2.713 -10.177 1.00 0.00 C ATOM 127 CG GLU A 11 -2.517 2.226 -11.456 1.00 0.00 C ATOM 128 CD GLU A 11 -2.082 0.800 -11.802 1.00 0.00 C ATOM 129 OE1 GLU A 11 -0.925 0.654 -12.253 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.915 -0.111 -11.607 1.00 0.00 O ATOM 0 H GLU A 11 -4.343 1.301 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.238 2.932 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.449 3.722 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.979 2.076 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.599 2.259 -11.330 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.272 2.895 -12.281 1.00 0.00 H new ATOM 137 N GLY A 12 -3.856 4.750 -8.274 1.00 0.00 N ATOM 138 CA GLY A 12 -4.822 5.835 -8.315 1.00 0.00 C ATOM 139 C GLY A 12 -4.363 7.011 -7.452 1.00 0.00 C ATOM 140 O GLY A 12 -3.494 6.856 -6.596 1.00 0.00 O ATOM 0 H GLY A 12 -3.176 4.812 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.958 6.166 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.790 5.478 -7.964 1.00 0.00 H new ATOM 144 N ILE A 13 -4.967 8.163 -7.708 1.00 0.00 N ATOM 145 CA ILE A 13 -4.631 9.365 -6.965 1.00 0.00 C ATOM 146 C ILE A 13 -4.888 9.128 -5.476 1.00 0.00 C ATOM 147 O ILE A 13 -5.866 8.478 -5.107 1.00 0.00 O ATOM 148 CB ILE A 13 -5.378 10.573 -7.534 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.645 11.149 -8.747 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.616 11.629 -6.453 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.378 11.893 -8.320 1.00 0.00 C ATOM 0 H ILE A 13 -5.687 8.289 -8.420 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.571 9.595 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.357 10.239 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.384 10.344 -9.435 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.305 11.828 -9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.149 12.477 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.211 11.198 -5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.658 11.966 -6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.876 12.292 -9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.645 12.712 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.709 11.205 -7.802 1.00 0.00 H new ATOM 163 N LEU A 14 -3.995 9.668 -4.660 1.00 0.00 N ATOM 164 CA LEU A 14 -4.114 9.524 -3.219 1.00 0.00 C ATOM 165 C LEU A 14 -3.475 10.734 -2.535 1.00 0.00 C ATOM 166 O LEU A 14 -2.281 10.981 -2.691 1.00 0.00 O ATOM 167 CB LEU A 14 -3.532 8.183 -2.765 1.00 0.00 C ATOM 168 CG LEU A 14 -4.532 7.036 -2.610 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.851 5.786 -2.049 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.732 7.465 -1.762 1.00 0.00 C ATOM 0 H LEU A 14 -3.186 10.206 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.163 9.507 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.769 7.879 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.030 8.332 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.912 6.779 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.585 4.986 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.058 5.469 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.425 6.012 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.427 6.631 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.389 7.765 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.235 8.304 -2.242 1.00 0.00 H new ATOM 182 N TYR A 15 -4.300 11.457 -1.791 1.00 0.00 N ATOM 183 CA TYR A 15 -3.831 12.636 -1.083 1.00 0.00 C ATOM 184 C TYR A 15 -3.347 12.274 0.323 1.00 0.00 C ATOM 185 O TYR A 15 -3.772 11.269 0.890 1.00 0.00 O ATOM 186 CB TYR A 15 -5.039 13.568 -0.970 1.00 0.00 C ATOM 187 CG TYR A 15 -5.523 14.125 -2.310 1.00 0.00 C ATOM 188 CD1 TYR A 15 -6.250 13.325 -3.168 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.233 15.428 -2.661 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.706 13.849 -4.429 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.689 15.952 -3.922 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.403 15.137 -4.744 1.00 0.00 C ATOM 193 OH TYR A 15 -6.833 15.632 -5.935 1.00 0.00 O ATOM 0 H TYR A 15 -5.290 11.249 -1.663 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.997 13.096 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.858 13.028 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.783 14.400 -0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.477 12.305 -2.893 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.664 16.054 -1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.276 13.233 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.469 16.970 -4.209 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.545 16.564 -6.025 1.00 0.00 H new ATOM 203 N LYS A 16 -2.466 13.114 0.844 1.00 0.00 N ATOM 204 CA LYS A 16 -1.919 12.896 2.173 1.00 0.00 C ATOM 205 C LYS A 16 -1.968 14.207 2.961 1.00 0.00 C ATOM 206 O LYS A 16 -1.969 15.288 2.375 1.00 0.00 O ATOM 207 CB LYS A 16 -0.520 12.284 2.083 1.00 0.00 C ATOM 208 CG LYS A 16 -0.273 11.310 3.237 1.00 0.00 C ATOM 209 CD LYS A 16 1.225 11.149 3.507 1.00 0.00 C ATOM 210 CE LYS A 16 1.998 10.941 2.203 1.00 0.00 C ATOM 211 NZ LYS A 16 3.136 10.019 2.417 1.00 0.00 N ATOM 0 H LYS A 16 -2.117 13.947 0.370 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.523 12.172 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.407 11.763 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.229 13.075 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.771 11.672 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.710 10.340 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.603 12.033 4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.389 10.300 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.333 10.537 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.363 11.899 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.650 9.889 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.778 10.420 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.780 9.100 2.749 1.00 0.00 H new ATOM 225 N LYS A 17 -2.006 14.067 4.278 1.00 0.00 N ATOM 226 CA LYS A 17 -2.054 15.226 5.153 1.00 0.00 C ATOM 227 C LYS A 17 -0.737 15.998 5.043 1.00 0.00 C ATOM 228 O LYS A 17 0.201 15.541 4.391 1.00 0.00 O ATOM 229 CB LYS A 17 -2.402 14.805 6.582 1.00 0.00 C ATOM 230 CG LYS A 17 -3.064 15.954 7.346 1.00 0.00 C ATOM 231 CD LYS A 17 -3.963 15.422 8.464 1.00 0.00 C ATOM 232 CE LYS A 17 -4.957 16.491 8.923 1.00 0.00 C ATOM 233 NZ LYS A 17 -4.459 17.174 10.138 1.00 0.00 N ATOM 0 H LYS A 17 -2.005 13.168 4.760 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.849 15.904 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.072 13.945 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.498 14.491 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.298 16.604 7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.653 16.561 6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.504 14.543 8.113 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.351 15.103 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.111 17.219 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.925 16.033 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.145 17.896 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.335 16.478 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.546 17.628 9.932 1.00 0.00 H new ATOM 337 N TRP A 24 -3.450 19.409 1.921 1.00 0.00 N ATOM 338 CA TRP A 24 -3.200 18.009 1.623 1.00 0.00 C ATOM 339 C TRP A 24 -2.614 17.924 0.212 1.00 0.00 C ATOM 340 O TRP A 24 -3.247 18.347 -0.754 1.00 0.00 O ATOM 341 CB TRP A 24 -4.472 17.177 1.793 1.00 0.00 C ATOM 342 CG TRP A 24 -4.912 17.002 3.248 1.00 0.00 C ATOM 343 CD1 TRP A 24 -5.193 17.957 4.146 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.110 15.752 3.942 1.00 0.00 C ATOM 345 NE1 TRP A 24 -5.556 17.416 5.362 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.504 16.033 5.235 1.00 0.00 C ATOM 347 CE3 TRP A 24 -4.961 14.428 3.493 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -5.782 15.042 6.184 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -5.242 13.449 4.453 1.00 0.00 C ATOM 350 CH2 TRP A 24 -5.640 13.715 5.758 1.00 0.00 C ATOM 0 HA TRP A 24 -2.481 17.587 2.325 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -5.280 17.649 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -4.312 16.193 1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -5.142 19.017 3.943 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.815 17.936 6.201 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.654 14.185 2.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.089 15.287 7.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.143 12.414 4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.839 12.902 6.441 1.00 0.00 H new ATOM 361 N LYS A 25 -1.411 17.373 0.138 1.00 0.00 N ATOM 362 CA LYS A 25 -0.732 17.227 -1.138 1.00 0.00 C ATOM 363 C LYS A 25 -1.305 16.016 -1.879 1.00 0.00 C ATOM 364 O LYS A 25 -1.695 15.030 -1.256 1.00 0.00 O ATOM 365 CB LYS A 25 0.783 17.163 -0.935 1.00 0.00 C ATOM 366 CG LYS A 25 1.380 18.568 -0.826 1.00 0.00 C ATOM 367 CD LYS A 25 2.778 18.619 -1.447 1.00 0.00 C ATOM 368 CE LYS A 25 2.904 19.794 -2.418 1.00 0.00 C ATOM 369 NZ LYS A 25 4.275 19.866 -2.970 1.00 0.00 N ATOM 0 H LYS A 25 -0.889 17.022 0.941 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.909 18.100 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.009 16.597 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.243 16.632 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.729 19.284 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.432 18.865 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.526 18.711 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.981 17.685 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.185 19.682 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.663 20.725 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.343 20.669 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.955 19.995 -2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.492 18.984 -3.477 1.00 0.00 H new ATOM 383 N ALA A 26 -1.336 16.131 -3.199 1.00 0.00 N ATOM 384 CA ALA A 26 -1.854 15.059 -4.031 1.00 0.00 C ATOM 385 C ALA A 26 -0.697 14.396 -4.780 1.00 0.00 C ATOM 386 O ALA A 26 0.078 15.071 -5.456 1.00 0.00 O ATOM 387 CB ALA A 26 -2.919 15.616 -4.978 1.00 0.00 C ATOM 0 H ALA A 26 -1.011 16.950 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.331 14.294 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.308 14.811 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.733 16.049 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.477 16.385 -5.611 1.00 0.00 H new ATOM 393 N ARG A 27 -0.615 13.082 -4.635 1.00 0.00 N ATOM 394 CA ARG A 27 0.435 12.320 -5.289 1.00 0.00 C ATOM 395 C ARG A 27 -0.119 10.994 -5.815 1.00 0.00 C ATOM 396 O ARG A 27 -1.161 10.528 -5.357 1.00 0.00 O ATOM 397 CB ARG A 27 1.591 12.035 -4.327 1.00 0.00 C ATOM 398 CG ARG A 27 2.124 13.331 -3.712 1.00 0.00 C ATOM 399 CD ARG A 27 3.644 13.276 -3.551 1.00 0.00 C ATOM 400 NE ARG A 27 4.135 14.533 -2.943 1.00 0.00 N ATOM 401 CZ ARG A 27 3.957 14.865 -1.657 1.00 0.00 C ATOM 402 NH1 ARG A 27 3.300 14.034 -0.835 1.00 0.00 N ATOM 403 NH2 ARG A 27 4.437 16.026 -1.192 1.00 0.00 N ATOM 0 H ARG A 27 -1.259 12.525 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 27 0.808 12.918 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.254 11.365 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.393 11.523 -4.858 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.852 14.176 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.657 13.496 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.921 12.427 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.115 13.124 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 27 4.640 15.187 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.936 13.149 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.164 14.287 0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.938 16.658 -1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.301 16.278 -0.213 1.00 0.00 H new ATOM 417 N TRP A 28 0.602 10.425 -6.769 1.00 0.00 N ATOM 418 CA TRP A 28 0.195 9.163 -7.363 1.00 0.00 C ATOM 419 C TRP A 28 0.736 8.032 -6.485 1.00 0.00 C ATOM 420 O TRP A 28 1.937 7.960 -6.230 1.00 0.00 O ATOM 421 CB TRP A 28 0.660 9.065 -8.817 1.00 0.00 C ATOM 422 CG TRP A 28 0.110 7.850 -9.566 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.761 6.732 -9.916 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.240 7.673 -10.046 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.066 5.852 -10.583 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.322 6.443 -10.665 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.355 8.525 -9.959 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.498 5.953 -11.245 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.523 8.022 -10.544 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.621 6.785 -11.171 1.00 0.00 C ATOM 0 H TRP A 28 1.466 10.815 -7.146 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.892 9.087 -7.400 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.361 9.970 -9.345 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.749 9.029 -8.838 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.803 6.544 -9.703 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.196 4.936 -10.949 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.314 9.491 -9.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.537 4.986 -11.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.410 8.638 -10.506 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.560 6.467 -11.599 1.00 0.00 H new ATOM 441 N PHE A 29 -0.177 7.177 -6.048 1.00 0.00 N ATOM 442 CA PHE A 29 0.194 6.053 -5.205 1.00 0.00 C ATOM 443 C PHE A 29 0.115 4.736 -5.980 1.00 0.00 C ATOM 444 O PHE A 29 -0.439 4.690 -7.077 1.00 0.00 O ATOM 445 CB PHE A 29 -0.808 6.012 -4.049 1.00 0.00 C ATOM 446 CG PHE A 29 -0.425 6.896 -2.861 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.225 8.072 -3.070 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.734 6.506 -1.595 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.581 8.893 -1.968 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.378 7.326 -0.493 1.00 0.00 C ATOM 451 CZ PHE A 29 0.272 8.503 -0.702 1.00 0.00 C ATOM 0 H PHE A 29 -1.172 7.240 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 29 1.218 6.174 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.786 6.321 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.908 4.983 -3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.471 8.382 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.250 5.572 -1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.097 9.827 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.623 7.016 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.542 9.127 0.137 1.00 0.00 H new ATOM 461 N VAL A 30 0.678 3.698 -5.379 1.00 0.00 N ATOM 462 CA VAL A 30 0.678 2.384 -6.000 1.00 0.00 C ATOM 463 C VAL A 30 0.421 1.320 -4.931 1.00 0.00 C ATOM 464 O VAL A 30 1.140 1.248 -3.935 1.00 0.00 O ATOM 465 CB VAL A 30 1.989 2.164 -6.758 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.132 0.704 -7.193 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.091 3.106 -7.960 1.00 0.00 C ATOM 0 H VAL A 30 1.137 3.740 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.124 2.308 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 30 2.811 2.394 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.072 0.575 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.124 0.060 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.302 0.436 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.032 2.930 -8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.259 2.921 -8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.055 4.140 -7.616 1.00 0.00 H new ATOM 477 N LEU A 31 -0.608 0.521 -5.173 1.00 0.00 N ATOM 478 CA LEU A 31 -0.969 -0.536 -4.243 1.00 0.00 C ATOM 479 C LEU A 31 -0.386 -1.862 -4.734 1.00 0.00 C ATOM 480 O LEU A 31 -1.011 -2.563 -5.528 1.00 0.00 O ATOM 481 CB LEU A 31 -2.485 -0.570 -4.034 1.00 0.00 C ATOM 482 CG LEU A 31 -2.959 -0.701 -2.586 1.00 0.00 C ATOM 483 CD1 LEU A 31 -2.996 -2.168 -2.151 1.00 0.00 C ATOM 484 CD2 LEU A 31 -2.102 0.152 -1.649 1.00 0.00 C ATOM 0 H LEU A 31 -1.203 0.584 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.539 -0.343 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.910 0.342 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.892 -1.404 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.979 -0.321 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.336 -2.233 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.681 -2.721 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.997 -2.597 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.460 0.041 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.064 -0.175 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.170 1.199 -1.945 1.00 0.00 H new ATOM 496 N ASP A 32 0.805 -2.167 -4.241 1.00 0.00 N ATOM 497 CA ASP A 32 1.480 -3.397 -4.619 1.00 0.00 C ATOM 498 C ASP A 32 0.868 -4.567 -3.847 1.00 0.00 C ATOM 499 O ASP A 32 0.355 -4.387 -2.744 1.00 0.00 O ATOM 500 CB ASP A 32 2.971 -3.334 -4.280 1.00 0.00 C ATOM 501 CG ASP A 32 3.647 -4.693 -4.086 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.471 -5.547 -4.981 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.326 -4.846 -3.048 1.00 0.00 O ATOM 0 H ASP A 32 1.320 -1.583 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 32 1.361 -3.531 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.487 -2.798 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.097 -2.749 -3.369 1.00 0.00 H new ATOM 508 N LYS A 33 0.943 -5.741 -4.457 1.00 0.00 N ATOM 509 CA LYS A 33 0.403 -6.941 -3.841 1.00 0.00 C ATOM 510 C LYS A 33 1.502 -8.001 -3.749 1.00 0.00 C ATOM 511 O LYS A 33 1.630 -8.682 -2.733 1.00 0.00 O ATOM 512 CB LYS A 33 -0.845 -7.412 -4.589 1.00 0.00 C ATOM 513 CG LYS A 33 -0.693 -7.201 -6.097 1.00 0.00 C ATOM 514 CD LYS A 33 -1.468 -8.262 -6.880 1.00 0.00 C ATOM 515 CE LYS A 33 -2.978 -8.055 -6.737 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.566 -9.109 -5.881 1.00 0.00 N ATOM 0 H LYS A 33 1.370 -5.887 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 33 0.076 -6.732 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.021 -8.468 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.717 -6.867 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.054 -6.209 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.362 -7.241 -6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.189 -8.218 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.198 -9.255 -6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.177 -7.074 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.448 -8.072 -7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.591 -8.954 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.392 -10.041 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.129 -9.074 -4.938 1.00 0.00 H new ATOM 530 N THR A 34 2.269 -8.108 -4.825 1.00 0.00 N ATOM 531 CA THR A 34 3.353 -9.073 -4.878 1.00 0.00 C ATOM 532 C THR A 34 4.240 -8.948 -3.638 1.00 0.00 C ATOM 533 O THR A 34 4.776 -9.943 -3.151 1.00 0.00 O ATOM 534 CB THR A 34 4.110 -8.861 -6.191 1.00 0.00 C ATOM 535 OG1 THR A 34 4.710 -7.577 -6.042 1.00 0.00 O ATOM 536 CG2 THR A 34 3.172 -8.698 -7.388 1.00 0.00 C ATOM 0 H THR A 34 2.160 -7.542 -5.666 1.00 0.00 H new ATOM 0 HA THR A 34 2.974 -10.095 -4.865 1.00 0.00 H new ATOM 0 HB THR A 34 4.777 -9.705 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.094 -6.982 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.760 -8.551 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.560 -9.593 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.527 -7.834 -7.230 1.00 0.00 H new ATOM 544 N LYS A 35 4.368 -7.719 -3.162 1.00 0.00 N ATOM 545 CA LYS A 35 5.181 -7.451 -1.988 1.00 0.00 C ATOM 546 C LYS A 35 4.372 -6.616 -0.993 1.00 0.00 C ATOM 547 O LYS A 35 4.912 -6.135 0.002 1.00 0.00 O ATOM 548 CB LYS A 35 6.510 -6.810 -2.391 1.00 0.00 C ATOM 549 CG LYS A 35 7.418 -7.824 -3.091 1.00 0.00 C ATOM 550 CD LYS A 35 8.826 -7.802 -2.494 1.00 0.00 C ATOM 551 CE LYS A 35 9.855 -8.325 -3.499 1.00 0.00 C ATOM 552 NZ LYS A 35 11.201 -8.371 -2.885 1.00 0.00 N ATOM 0 H LYS A 35 3.922 -6.897 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 35 5.443 -8.382 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.324 -5.965 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.011 -6.417 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.994 -8.824 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.467 -7.599 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.084 -6.785 -2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.852 -8.412 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.569 -9.321 -3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.872 -7.682 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.888 -8.728 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.478 -7.415 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.184 -9.003 -2.059 1.00 0.00 H new ATOM 566 N HIS A 36 3.091 -6.469 -1.296 1.00 0.00 N ATOM 567 CA HIS A 36 2.203 -5.700 -0.441 1.00 0.00 C ATOM 568 C HIS A 36 2.942 -4.472 0.095 1.00 0.00 C ATOM 569 O HIS A 36 3.459 -4.493 1.211 1.00 0.00 O ATOM 570 CB HIS A 36 1.626 -6.578 0.672 1.00 0.00 C ATOM 571 CG HIS A 36 2.482 -7.773 1.017 1.00 0.00 C ATOM 572 ND1 HIS A 36 3.715 -7.849 1.594 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 2.087 -9.075 0.766 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 4.054 -9.129 1.692 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 3.046 -9.891 1.179 1.00 0.00 N flip ATOM 0 H HIS A 36 2.646 -6.870 -2.122 1.00 0.00 H new ATOM 0 HA HIS A 36 1.352 -5.344 -1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.491 -5.970 1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.638 -6.926 0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.281 -7.057 1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.155 -9.375 0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.976 -9.505 2.109 1.00 0.00 H new ATOM 583 N GLN A 37 2.969 -3.433 -0.726 1.00 0.00 N ATOM 584 CA GLN A 37 3.636 -2.198 -0.348 1.00 0.00 C ATOM 585 C GLN A 37 2.937 -0.999 -0.991 1.00 0.00 C ATOM 586 O GLN A 37 2.114 -1.164 -1.891 1.00 0.00 O ATOM 587 CB GLN A 37 5.118 -2.238 -0.727 1.00 0.00 C ATOM 588 CG GLN A 37 5.887 -3.211 0.168 1.00 0.00 C ATOM 589 CD GLN A 37 7.289 -2.681 0.476 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.680 -2.514 1.620 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.021 -2.427 -0.605 1.00 0.00 N ATOM 0 H GLN A 37 2.540 -3.420 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 37 3.575 -2.091 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.222 -2.538 -1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.547 -1.240 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.340 -3.365 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.961 -4.181 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.632 -2.589 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.971 -2.070 -0.505 1.00 0.00 H new ATOM 600 N LEU A 38 3.290 0.182 -0.505 1.00 0.00 N ATOM 601 CA LEU A 38 2.707 1.409 -1.022 1.00 0.00 C ATOM 602 C LEU A 38 3.810 2.275 -1.633 1.00 0.00 C ATOM 603 O LEU A 38 4.631 2.840 -0.913 1.00 0.00 O ATOM 604 CB LEU A 38 1.901 2.119 0.068 1.00 0.00 C ATOM 605 CG LEU A 38 0.597 2.780 -0.385 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.541 2.470 0.588 1.00 0.00 C ATOM 607 CD2 LEU A 38 0.787 4.284 -0.586 1.00 0.00 C ATOM 0 H LEU A 38 3.972 0.315 0.241 1.00 0.00 H new ATOM 0 HA LEU A 38 1.997 1.187 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.666 1.395 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.534 2.882 0.521 1.00 0.00 H new ATOM 0 HG LEU A 38 0.317 2.359 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.456 2.951 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.694 1.392 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.285 2.845 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.154 4.730 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.102 4.740 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.549 4.456 -1.346 1.00 0.00 H new ATOM 619 N ARG A 39 3.793 2.351 -2.956 1.00 0.00 N ATOM 620 CA ARG A 39 4.782 3.138 -3.673 1.00 0.00 C ATOM 621 C ARG A 39 4.135 4.394 -4.262 1.00 0.00 C ATOM 622 O ARG A 39 3.213 4.300 -5.070 1.00 0.00 O ATOM 623 CB ARG A 39 5.421 2.325 -4.801 1.00 0.00 C ATOM 624 CG ARG A 39 6.264 1.178 -4.240 1.00 0.00 C ATOM 625 CD ARG A 39 7.125 0.544 -5.335 1.00 0.00 C ATOM 626 NE ARG A 39 8.301 -0.121 -4.732 1.00 0.00 N ATOM 627 CZ ARG A 39 8.243 -1.260 -4.029 1.00 0.00 C ATOM 628 NH1 ARG A 39 7.064 -1.868 -3.836 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.362 -1.791 -3.519 1.00 0.00 N ATOM 0 H ARG A 39 3.110 1.881 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 39 5.558 3.423 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.643 1.925 -5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.046 2.975 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.903 1.550 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.611 0.423 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.536 -0.180 -5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.451 1.308 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 39 9.214 0.315 -4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.212 -1.463 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.019 -2.735 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.259 -1.328 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.317 -2.658 -2.984 1.00 0.00 H new ATOM 643 N TYR A 40 4.645 5.539 -3.834 1.00 0.00 N ATOM 644 CA TYR A 40 4.129 6.812 -4.308 1.00 0.00 C ATOM 645 C TYR A 40 5.265 7.725 -4.774 1.00 0.00 C ATOM 646 O TYR A 40 6.368 7.676 -4.232 1.00 0.00 O ATOM 647 CB TYR A 40 3.430 7.457 -3.110 1.00 0.00 C ATOM 648 CG TYR A 40 4.390 8.049 -2.075 1.00 0.00 C ATOM 649 CD1 TYR A 40 4.910 7.248 -1.079 1.00 0.00 C ATOM 650 CD2 TYR A 40 4.735 9.384 -2.138 1.00 0.00 C ATOM 651 CE1 TYR A 40 5.813 7.805 -0.105 1.00 0.00 C ATOM 652 CE2 TYR A 40 5.637 9.941 -1.165 1.00 0.00 C ATOM 653 CZ TYR A 40 6.132 9.124 -0.196 1.00 0.00 C ATOM 654 OH TYR A 40 6.985 9.650 0.723 1.00 0.00 O ATOM 0 H TYR A 40 5.410 5.612 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 40 3.457 6.663 -5.153 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.768 8.245 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.802 6.711 -2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.640 6.203 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.328 10.011 -2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.227 7.189 0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.915 10.984 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 40 7.123 10.602 0.534 1.00 0.00 H new ATOM 664 N TYR A 41 4.956 8.538 -5.774 1.00 0.00 N ATOM 665 CA TYR A 41 5.937 9.461 -6.319 1.00 0.00 C ATOM 666 C TYR A 41 5.303 10.820 -6.619 1.00 0.00 C ATOM 667 O TYR A 41 4.080 10.941 -6.674 1.00 0.00 O ATOM 668 CB TYR A 41 6.421 8.836 -7.629 1.00 0.00 C ATOM 669 CG TYR A 41 6.506 7.309 -7.597 1.00 0.00 C ATOM 670 CD1 TYR A 41 5.358 6.552 -7.713 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.730 6.689 -7.451 1.00 0.00 C ATOM 672 CE1 TYR A 41 5.438 5.114 -7.683 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.810 5.252 -7.421 1.00 0.00 C ATOM 674 CZ TYR A 41 6.660 4.535 -7.538 1.00 0.00 C ATOM 675 OH TYR A 41 6.735 3.177 -7.509 1.00 0.00 O ATOM 0 H TYR A 41 4.040 8.577 -6.221 1.00 0.00 H new ATOM 0 HA TYR A 41 6.748 9.624 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.748 9.135 -8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.405 9.239 -7.870 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.400 7.037 -7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.628 7.282 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.548 4.509 -7.774 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.762 4.754 -7.308 1.00 0.00 H new ATOM 0 HH TYR A 41 7.665 2.898 -7.643 1.00 0.00 H new ATOM 836 N VAL A 52 8.680 3.860 1.152 1.00 0.00 N ATOM 837 CA VAL A 52 7.651 2.876 0.864 1.00 0.00 C ATOM 838 C VAL A 52 6.871 2.571 2.145 1.00 0.00 C ATOM 839 O VAL A 52 7.373 2.787 3.247 1.00 0.00 O ATOM 840 CB VAL A 52 8.279 1.631 0.235 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.273 0.458 1.218 1.00 0.00 C ATOM 842 CG2 VAL A 52 7.569 1.258 -1.068 1.00 0.00 C ATOM 0 HA VAL A 52 6.940 3.268 0.136 1.00 0.00 H new ATOM 0 HB VAL A 52 9.317 1.863 -0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.725 -0.414 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.843 0.726 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.246 0.226 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.035 0.370 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.518 1.054 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.648 2.084 -1.775 1.00 0.00 H new ATOM 852 N ILE A 53 5.658 2.073 1.957 1.00 0.00 N ATOM 853 CA ILE A 53 4.805 1.736 3.083 1.00 0.00 C ATOM 854 C ILE A 53 4.495 0.238 3.052 1.00 0.00 C ATOM 855 O ILE A 53 3.588 -0.198 2.343 1.00 0.00 O ATOM 856 CB ILE A 53 3.557 2.622 3.095 1.00 0.00 C ATOM 857 CG1 ILE A 53 3.899 4.055 2.684 1.00 0.00 C ATOM 858 CG2 ILE A 53 2.858 2.567 4.455 1.00 0.00 C ATOM 859 CD1 ILE A 53 2.630 4.881 2.465 1.00 0.00 C ATOM 0 H ILE A 53 5.246 1.895 1.041 1.00 0.00 H new ATOM 0 HA ILE A 53 5.319 1.937 4.023 1.00 0.00 H new ATOM 0 HB ILE A 53 2.855 2.234 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.512 4.522 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.492 4.043 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.975 3.205 4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.560 1.541 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.541 2.916 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.902 5.896 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.031 4.425 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.052 4.911 3.388 1.00 0.00 H new ATOM 871 N ASP A 54 5.264 -0.510 3.830 1.00 0.00 N ATOM 872 CA ASP A 54 5.083 -1.950 3.900 1.00 0.00 C ATOM 873 C ASP A 54 3.697 -2.258 4.471 1.00 0.00 C ATOM 874 O ASP A 54 3.490 -2.182 5.681 1.00 0.00 O ATOM 875 CB ASP A 54 6.126 -2.592 4.817 1.00 0.00 C ATOM 876 CG ASP A 54 6.597 -1.712 5.976 1.00 0.00 C ATOM 877 OD1 ASP A 54 5.827 -0.800 6.346 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.718 -1.971 6.466 1.00 0.00 O ATOM 0 H ASP A 54 6.014 -0.146 4.417 1.00 0.00 H new ATOM 0 HA ASP A 54 5.191 -2.353 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.711 -3.513 5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.992 -2.871 4.217 1.00 0.00 H new ATOM 883 N LEU A 55 2.785 -2.599 3.573 1.00 0.00 N ATOM 884 CA LEU A 55 1.425 -2.919 3.973 1.00 0.00 C ATOM 885 C LEU A 55 1.450 -4.082 4.967 1.00 0.00 C ATOM 886 O LEU A 55 0.492 -4.289 5.709 1.00 0.00 O ATOM 887 CB LEU A 55 0.552 -3.179 2.744 1.00 0.00 C ATOM 888 CG LEU A 55 0.561 -2.087 1.671 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.011 -2.610 0.352 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.171 -0.835 2.158 1.00 0.00 C ATOM 0 H LEU A 55 2.961 -2.661 2.570 1.00 0.00 H new ATOM 0 HA LEU A 55 0.970 -2.071 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.874 -4.114 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.476 -3.325 3.077 1.00 0.00 H new ATOM 0 HG LEU A 55 1.596 -1.802 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.007 -1.815 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.590 -3.449 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.038 -2.940 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.150 -0.075 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.205 -1.086 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.320 -0.451 3.052 1.00 0.00 H new ATOM 902 N ALA A 56 2.557 -4.810 4.948 1.00 0.00 N ATOM 903 CA ALA A 56 2.719 -5.947 5.838 1.00 0.00 C ATOM 904 C ALA A 56 2.888 -5.445 7.274 1.00 0.00 C ATOM 905 O ALA A 56 2.603 -6.170 8.226 1.00 0.00 O ATOM 906 CB ALA A 56 3.906 -6.794 5.374 1.00 0.00 C ATOM 0 H ALA A 56 3.350 -4.635 4.331 1.00 0.00 H new ATOM 0 HA ALA A 56 1.834 -6.583 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.027 -7.647 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.725 -7.150 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.813 -6.189 5.389 1.00 0.00 H new ATOM 912 N GLU A 57 3.350 -4.208 7.384 1.00 0.00 N ATOM 913 CA GLU A 57 3.559 -3.601 8.687 1.00 0.00 C ATOM 914 C GLU A 57 2.283 -2.902 9.159 1.00 0.00 C ATOM 915 O GLU A 57 2.132 -2.610 10.344 1.00 0.00 O ATOM 916 CB GLU A 57 4.738 -2.627 8.655 1.00 0.00 C ATOM 917 CG GLU A 57 6.070 -3.378 8.605 1.00 0.00 C ATOM 918 CD GLU A 57 6.363 -4.063 9.942 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.328 -3.348 10.966 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.616 -5.287 9.909 1.00 0.00 O ATOM 0 H GLU A 57 3.585 -3.610 6.592 1.00 0.00 H new ATOM 0 HA GLU A 57 3.801 -4.390 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.652 -1.975 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.710 -1.988 9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.042 -4.122 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.875 -2.683 8.364 1.00 0.00 H new ATOM 927 N VAL A 58 1.396 -2.654 8.207 1.00 0.00 N ATOM 928 CA VAL A 58 0.137 -1.995 8.510 1.00 0.00 C ATOM 929 C VAL A 58 -0.651 -2.844 9.509 1.00 0.00 C ATOM 930 O VAL A 58 -0.954 -4.006 9.240 1.00 0.00 O ATOM 931 CB VAL A 58 -0.636 -1.723 7.217 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.081 -1.321 7.517 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.066 -0.656 6.374 1.00 0.00 C ATOM 0 H VAL A 58 1.524 -2.898 7.225 1.00 0.00 H new ATOM 0 HA VAL A 58 0.316 -1.026 8.976 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.658 -2.647 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.608 -1.133 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.578 -2.126 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.088 -0.417 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.503 -0.481 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.133 0.271 6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.069 -0.997 6.117 1.00 0.00 H new ATOM 943 N GLU A 59 -0.960 -2.232 10.643 1.00 0.00 N ATOM 944 CA GLU A 59 -1.707 -2.917 11.684 1.00 0.00 C ATOM 945 C GLU A 59 -3.200 -2.922 11.351 1.00 0.00 C ATOM 946 O GLU A 59 -3.923 -3.840 11.736 1.00 0.00 O ATOM 947 CB GLU A 59 -1.452 -2.280 13.051 1.00 0.00 C ATOM 948 CG GLU A 59 -0.055 -2.630 13.568 1.00 0.00 C ATOM 949 CD GLU A 59 0.214 -1.960 14.917 1.00 0.00 C ATOM 950 OE1 GLU A 59 0.123 -0.714 14.960 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.506 -2.709 15.874 1.00 0.00 O ATOM 0 H GLU A 59 -0.706 -1.269 10.864 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.362 -3.950 11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.555 -1.197 12.977 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.203 -2.624 13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.039 -3.711 13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.695 -2.312 12.844 1.00 0.00 H new ATOM 958 N ALA A 60 -3.618 -1.887 10.638 1.00 0.00 N ATOM 959 CA ALA A 60 -5.012 -1.760 10.248 1.00 0.00 C ATOM 960 C ALA A 60 -5.287 -0.319 9.812 1.00 0.00 C ATOM 961 O ALA A 60 -4.470 0.570 10.047 1.00 0.00 O ATOM 962 CB ALA A 60 -5.908 -2.199 11.408 1.00 0.00 C ATOM 0 H ALA A 60 -3.016 -1.128 10.320 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.234 -2.408 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.954 -2.104 11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.694 -3.238 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.715 -1.568 12.276 1.00 0.00 H new ATOM 968 N VAL A 61 -6.439 -0.134 9.185 1.00 0.00 N ATOM 969 CA VAL A 61 -6.831 1.184 8.714 1.00 0.00 C ATOM 970 C VAL A 61 -8.248 1.493 9.200 1.00 0.00 C ATOM 971 O VAL A 61 -9.017 0.582 9.505 1.00 0.00 O ATOM 972 CB VAL A 61 -6.691 1.259 7.193 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.796 -0.132 6.563 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.727 2.212 6.593 1.00 0.00 C ATOM 0 H VAL A 61 -7.114 -0.874 8.992 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.172 1.949 9.125 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.701 1.655 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.693 -0.050 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.004 -0.770 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.766 -0.568 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.605 2.247 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.729 1.858 6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.585 3.211 7.006 1.00 0.00 H new ATOM 984 N ALA A 62 -8.552 2.782 9.258 1.00 0.00 N ATOM 985 CA ALA A 62 -9.863 3.223 9.702 1.00 0.00 C ATOM 986 C ALA A 62 -10.241 4.509 8.964 1.00 0.00 C ATOM 987 O ALA A 62 -9.380 5.338 8.675 1.00 0.00 O ATOM 988 CB ALA A 62 -9.854 3.403 11.221 1.00 0.00 C ATOM 0 H ALA A 62 -7.912 3.535 9.005 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.620 2.474 9.467 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.838 3.734 11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.610 2.454 11.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.108 4.149 11.495 1.00 0.00 H new ATOM 994 N PRO A 63 -11.563 4.638 8.674 1.00 0.00 N ATOM 995 CA PRO A 63 -12.065 5.809 7.975 1.00 0.00 C ATOM 996 C PRO A 63 -12.115 7.023 8.906 1.00 0.00 C ATOM 997 O PRO A 63 -13.033 7.151 9.715 1.00 0.00 O ATOM 998 CB PRO A 63 -13.434 5.401 7.457 1.00 0.00 C ATOM 999 CG PRO A 63 -13.844 4.187 8.273 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.611 3.676 9.001 1.00 0.00 C ATOM 0 HA PRO A 63 -11.419 6.118 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.153 6.211 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.394 5.162 6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.625 4.452 8.985 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.253 3.412 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -12.779 3.624 10.077 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.344 2.672 8.671 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.118 7.882 8.760 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.037 9.080 9.578 1.00 0.00 C ATOM 1010 C GLY A 64 -11.989 10.161 9.062 1.00 0.00 C ATOM 1011 O GLY A 64 -12.854 9.886 8.232 1.00 0.00 O ATOM 0 H GLY A 64 -10.359 7.773 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.283 8.836 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.015 9.459 9.575 1.00 0.00 H new ATOM 1015 N THR A 65 -11.799 11.367 9.577 1.00 0.00 N ATOM 1016 CA THR A 65 -12.631 12.490 9.179 1.00 0.00 C ATOM 1017 C THR A 65 -11.781 13.572 8.508 1.00 0.00 C ATOM 1018 O THR A 65 -10.571 13.634 8.718 1.00 0.00 O ATOM 1019 CB THR A 65 -13.379 12.986 10.417 1.00 0.00 C ATOM 1020 OG1 THR A 65 -12.454 12.792 11.483 1.00 0.00 O ATOM 1021 CG2 THR A 65 -14.564 12.090 10.784 1.00 0.00 C ATOM 0 H THR A 65 -11.081 11.591 10.266 1.00 0.00 H new ATOM 0 HA THR A 65 -13.368 12.192 8.434 1.00 0.00 H new ATOM 0 HB THR A 65 -13.733 14.002 10.244 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.858 13.090 12.325 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.060 12.487 11.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.270 12.063 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.207 11.081 10.990 1.00 0.00 H new ATOM 1029 N PRO A 66 -12.467 14.418 7.694 1.00 0.00 N ATOM 1030 CA PRO A 66 -11.789 15.494 6.991 1.00 0.00 C ATOM 1031 C PRO A 66 -11.440 16.638 7.946 1.00 0.00 C ATOM 1032 O PRO A 66 -12.118 16.840 8.952 1.00 0.00 O ATOM 1033 CB PRO A 66 -12.749 15.911 5.890 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.112 15.378 6.300 1.00 0.00 C ATOM 1035 CD PRO A 66 -13.901 14.374 7.422 1.00 0.00 C ATOM 0 HA PRO A 66 -10.832 15.185 6.570 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.771 16.995 5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.442 15.500 4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.756 16.192 6.632 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.608 14.905 5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.480 14.641 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.217 13.374 7.124 1.00 0.00 H new ATOM 1043 N THR A 67 -10.383 17.357 7.596 1.00 0.00 N ATOM 1044 CA THR A 67 -9.937 18.476 8.408 1.00 0.00 C ATOM 1045 C THR A 67 -9.650 19.694 7.528 1.00 0.00 C ATOM 1046 O THR A 67 -10.050 19.731 6.365 1.00 0.00 O ATOM 1047 CB THR A 67 -8.725 18.015 9.222 1.00 0.00 C ATOM 1048 OG1 THR A 67 -7.827 17.498 8.244 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.041 16.811 10.112 1.00 0.00 C ATOM 0 H THR A 67 -9.823 17.186 6.761 1.00 0.00 H new ATOM 0 HA THR A 67 -10.713 18.794 9.104 1.00 0.00 H new ATOM 0 HB THR A 67 -8.368 18.839 9.840 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.141 18.169 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.148 16.525 10.667 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.835 17.074 10.811 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.366 15.976 9.492 1.00 0.00 H new ATOM 1057 N ILE A 68 -8.961 20.660 8.116 1.00 0.00 N ATOM 1058 CA ILE A 68 -8.616 21.876 7.400 1.00 0.00 C ATOM 1059 C ILE A 68 -7.483 21.580 6.416 1.00 0.00 C ATOM 1060 O ILE A 68 -6.516 20.902 6.762 1.00 0.00 O ATOM 1061 CB ILE A 68 -8.297 23.005 8.383 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -9.574 23.542 9.034 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -7.491 24.113 7.702 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -9.250 24.342 10.297 1.00 0.00 C ATOM 0 H ILE A 68 -8.632 20.625 9.081 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.465 22.226 6.813 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.675 22.598 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.109 24.174 8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.236 22.713 9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.278 24.903 8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.554 23.702 7.325 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.066 24.524 6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.174 24.712 10.740 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.736 23.700 11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.608 25.184 10.039 1.00 0.00 H new ATOM 1076 N GLY A 69 -7.639 22.101 5.208 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.641 21.901 4.171 1.00 0.00 C ATOM 1078 C GLY A 69 -7.098 20.839 3.168 1.00 0.00 C ATOM 1079 O GLY A 69 -6.991 21.036 1.959 1.00 0.00 O ATOM 0 H GLY A 69 -8.442 22.662 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.457 22.842 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.697 21.597 4.623 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.597 19.737 3.708 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.070 18.644 2.876 1.00 0.00 C ATOM 1085 C ALA A 70 -8.932 19.207 1.744 1.00 0.00 C ATOM 1086 O ALA A 70 -9.489 20.297 1.866 1.00 0.00 O ATOM 1087 CB ALA A 70 -8.829 17.636 3.740 1.00 0.00 C ATOM 0 H ALA A 70 -7.684 19.578 4.712 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.231 18.117 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.184 16.816 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.165 17.244 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.680 18.128 4.211 1.00 0.00 H new ATOM 1093 N PRO A 71 -9.016 18.418 0.639 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.800 18.826 -0.514 1.00 0.00 C ATOM 1095 C PRO A 71 -11.298 18.667 -0.243 1.00 0.00 C ATOM 1096 O PRO A 71 -11.715 17.717 0.418 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.307 17.952 -1.655 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.601 16.775 -1.002 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.370 17.121 0.459 1.00 0.00 C ATOM 0 HA PRO A 71 -9.674 19.881 -0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.137 17.614 -2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.627 18.504 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.205 15.872 -1.089 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.653 16.574 -1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.803 16.368 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.306 17.173 0.690 1.00 0.00 H new ATOM 1107 N LYS A 72 -12.065 19.611 -0.767 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.507 19.587 -0.590 1.00 0.00 C ATOM 1109 C LYS A 72 -14.098 18.434 -1.404 1.00 0.00 C ATOM 1110 O LYS A 72 -15.039 17.777 -0.964 1.00 0.00 O ATOM 1111 CB LYS A 72 -14.111 20.952 -0.928 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.812 21.972 0.172 1.00 0.00 C ATOM 1113 CD LYS A 72 -12.470 22.665 -0.073 1.00 0.00 C ATOM 1114 CE LYS A 72 -12.567 24.164 0.217 1.00 0.00 C ATOM 1115 NZ LYS A 72 -11.348 24.862 -0.251 1.00 0.00 N ATOM 0 H LYS A 72 -11.715 20.398 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.759 19.402 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.708 21.307 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.189 20.855 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.608 22.716 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.796 21.473 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.704 22.217 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.160 22.510 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.444 24.580 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.698 24.326 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.430 25.878 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.517 24.476 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.240 24.723 -1.276 1.00 0.00 H new ATOM 1129 N THR A 73 -13.520 18.225 -2.578 1.00 0.00 N ATOM 1130 CA THR A 73 -13.978 17.163 -3.458 1.00 0.00 C ATOM 1131 C THR A 73 -14.342 15.918 -2.647 1.00 0.00 C ATOM 1132 O THR A 73 -15.517 15.573 -2.527 1.00 0.00 O ATOM 1133 CB THR A 73 -12.887 16.911 -4.502 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.679 16.904 -3.746 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.717 18.086 -5.466 1.00 0.00 C ATOM 0 H THR A 73 -12.739 18.773 -2.940 1.00 0.00 H new ATOM 0 HA THR A 73 -14.890 17.449 -3.982 1.00 0.00 H new ATOM 0 HB THR A 73 -13.126 16.010 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.919 16.745 -4.345 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.931 17.856 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.654 18.261 -5.995 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.445 18.980 -4.905 1.00 0.00 H new ATOM 1143 N VAL A 74 -13.313 15.278 -2.112 1.00 0.00 N ATOM 1144 CA VAL A 74 -13.510 14.078 -1.315 1.00 0.00 C ATOM 1145 C VAL A 74 -14.378 14.415 -0.101 1.00 0.00 C ATOM 1146 O VAL A 74 -14.445 15.569 0.318 1.00 0.00 O ATOM 1147 CB VAL A 74 -12.157 13.475 -0.934 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.319 14.471 -0.130 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -12.338 12.164 -0.166 1.00 0.00 C ATOM 0 H VAL A 74 -12.340 15.567 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.038 13.318 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.618 13.252 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.362 14.017 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.146 15.367 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.851 14.740 0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.361 11.756 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.906 12.352 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.876 11.449 -0.788 1.00 0.00 H new ATOM 1159 N ASP A 75 -15.021 13.385 0.430 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.882 13.557 1.588 1.00 0.00 C ATOM 1161 C ASP A 75 -15.267 12.832 2.787 1.00 0.00 C ATOM 1162 O ASP A 75 -14.203 12.227 2.672 1.00 0.00 O ATOM 1163 CB ASP A 75 -17.269 12.963 1.337 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.440 13.841 1.784 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.158 14.951 2.283 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.590 13.381 1.616 1.00 0.00 O ATOM 0 H ASP A 75 -14.963 12.429 0.080 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.977 14.625 1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.373 12.760 0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.336 12.005 1.852 1.00 0.00 H new ATOM 1171 N GLU A 76 -15.964 12.918 3.911 1.00 0.00 N ATOM 1172 CA GLU A 76 -15.500 12.277 5.130 1.00 0.00 C ATOM 1173 C GLU A 76 -15.497 10.757 4.962 1.00 0.00 C ATOM 1174 O GLU A 76 -14.609 10.075 5.471 1.00 0.00 O ATOM 1175 CB GLU A 76 -16.355 12.695 6.328 1.00 0.00 C ATOM 1176 CG GLU A 76 -17.846 12.580 6.004 1.00 0.00 C ATOM 1177 CD GLU A 76 -18.675 12.431 7.282 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -18.328 11.536 8.083 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -19.637 13.216 7.429 1.00 0.00 O ATOM 0 H GLU A 76 -16.846 13.422 4.003 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.478 12.603 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.116 12.067 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.118 13.721 6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.172 13.464 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.015 11.721 5.354 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.500 10.270 4.246 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.623 8.842 4.005 1.00 0.00 C ATOM 1188 C LYS A 77 -15.649 8.430 2.900 1.00 0.00 C ATOM 1189 O LYS A 77 -16.054 7.839 1.900 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.078 8.472 3.712 1.00 0.00 C ATOM 1191 CG LYS A 77 -18.989 8.867 4.876 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.458 8.605 4.536 1.00 0.00 C ATOM 1193 CE LYS A 77 -21.241 9.916 4.441 1.00 0.00 C ATOM 1194 NZ LYS A 77 -22.517 9.707 3.722 1.00 0.00 N ATOM 0 H LYS A 77 -17.235 10.839 3.825 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.349 8.280 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.408 8.972 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.155 7.400 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -18.712 8.303 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.849 9.922 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.526 8.067 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.903 7.966 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.439 10.301 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.644 10.666 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.036 10.607 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.321 9.360 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.092 9.007 4.232 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.384 8.758 3.117 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.349 8.429 2.151 1.00 0.00 C ATOM 1210 C ALA A 78 -11.990 8.409 2.854 1.00 0.00 C ATOM 1211 O ALA A 78 -11.192 7.497 2.644 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.393 9.430 0.995 1.00 0.00 C ATOM 0 H ALA A 78 -14.052 9.248 3.948 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.517 7.438 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.617 9.183 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.369 9.384 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.225 10.436 1.379 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.768 9.427 3.673 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.519 9.538 4.407 1.00 0.00 C ATOM 1220 C PHE A 79 -10.293 8.311 5.293 1.00 0.00 C ATOM 1221 O PHE A 79 -11.097 8.023 6.178 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.631 10.779 5.295 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.578 12.101 4.526 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.382 12.706 4.294 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.727 12.671 4.074 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.333 13.932 3.581 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -11.678 13.897 3.360 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.482 14.502 3.128 1.00 0.00 C ATOM 0 H PHE A 79 -12.432 10.182 3.844 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.683 9.609 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.567 10.732 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.823 10.764 6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.469 12.253 4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.677 12.191 4.258 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.383 14.413 3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.591 14.349 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.445 15.434 2.584 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.194 7.621 5.024 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.852 6.432 5.786 1.00 0.00 C ATOM 1240 C PHE A 80 -7.427 6.523 6.333 1.00 0.00 C ATOM 1241 O PHE A 80 -6.489 6.809 5.590 1.00 0.00 O ATOM 1242 CB PHE A 80 -8.942 5.244 4.825 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.908 5.276 3.698 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.068 6.130 2.651 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.828 4.451 3.743 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.108 6.159 1.606 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.868 4.480 2.697 1.00 0.00 C ATOM 1248 CZ PHE A 80 -6.028 5.334 1.650 1.00 0.00 C ATOM 0 H PHE A 80 -8.529 7.863 4.289 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.531 6.324 6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.818 4.321 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.940 5.218 4.388 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.925 6.786 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.700 3.774 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.235 6.837 0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.011 3.824 2.733 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.298 5.357 0.855 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.308 6.274 7.629 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.012 6.325 8.285 1.00 0.00 C ATOM 1260 C ASP A 81 -5.330 4.961 8.163 1.00 0.00 C ATOM 1261 O ASP A 81 -5.974 3.925 8.320 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.161 6.648 9.774 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.657 8.032 10.188 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.831 8.965 9.376 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.111 8.124 11.309 1.00 0.00 O ATOM 0 H ASP A 81 -8.088 6.036 8.242 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.421 7.104 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.213 6.565 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.623 5.895 10.350 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.036 5.005 7.884 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.259 3.785 7.739 1.00 0.00 C ATOM 1272 C VAL A 82 -2.308 3.647 8.929 1.00 0.00 C ATOM 1273 O VAL A 82 -1.291 4.336 8.999 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.535 3.783 6.391 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.417 2.739 6.372 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.519 3.556 5.241 1.00 0.00 C ATOM 0 H VAL A 82 -3.505 5.866 7.754 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.913 2.913 7.743 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.080 4.764 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.918 2.758 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.695 2.965 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.840 1.749 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.979 3.559 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.016 2.595 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.263 4.352 5.237 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.672 2.752 9.836 1.00 0.00 N ATOM 1287 CA LYS A 83 -1.863 2.515 11.020 1.00 0.00 C ATOM 1288 C LYS A 83 -0.762 1.507 10.686 1.00 0.00 C ATOM 1289 O LYS A 83 -1.041 0.425 10.172 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.746 2.095 12.197 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.565 3.277 12.718 1.00 0.00 C ATOM 1292 CD LYS A 83 -3.821 3.147 14.220 1.00 0.00 C ATOM 1293 CE LYS A 83 -4.987 4.037 14.657 1.00 0.00 C ATOM 1294 NZ LYS A 83 -4.873 4.373 16.094 1.00 0.00 N ATOM 0 H LYS A 83 -3.516 2.182 9.775 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.369 3.434 11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.416 1.293 11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.124 1.697 12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.036 4.208 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.515 3.328 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.040 2.108 14.467 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.922 3.423 14.771 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.997 4.951 14.063 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.932 3.526 14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.672 4.977 16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.886 3.499 16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.980 4.880 16.262 1.00 0.00 H new ATOM 1308 N THR A 84 0.466 1.897 10.992 1.00 0.00 N ATOM 1309 CA THR A 84 1.611 1.041 10.731 1.00 0.00 C ATOM 1310 C THR A 84 2.459 0.883 11.995 1.00 0.00 C ATOM 1311 O THR A 84 2.038 1.278 13.082 1.00 0.00 O ATOM 1312 CB THR A 84 2.384 1.632 9.551 1.00 0.00 C ATOM 1313 OG1 THR A 84 2.233 3.040 9.706 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.719 1.332 8.206 1.00 0.00 C ATOM 0 H THR A 84 0.694 2.795 11.419 1.00 0.00 H new ATOM 0 HA THR A 84 1.297 0.033 10.460 1.00 0.00 H new ATOM 0 HB THR A 84 3.400 1.238 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.480 3.297 10.619 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.308 1.774 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.660 0.253 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.714 1.755 8.194 1.00 0.00 H new ATOM 1322 N THR A 85 3.637 0.306 11.811 1.00 0.00 N ATOM 1323 CA THR A 85 4.547 0.091 12.923 1.00 0.00 C ATOM 1324 C THR A 85 5.385 1.346 13.176 1.00 0.00 C ATOM 1325 O THR A 85 5.519 1.788 14.316 1.00 0.00 O ATOM 1326 CB THR A 85 5.388 -1.148 12.613 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.739 -0.996 11.240 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.565 -2.438 12.646 1.00 0.00 C ATOM 0 H THR A 85 3.983 -0.019 10.908 1.00 0.00 H new ATOM 0 HA THR A 85 4.003 -0.091 13.850 1.00 0.00 H new ATOM 0 HB THR A 85 6.205 -1.220 13.331 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.437 -1.644 11.007 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.210 -3.287 12.419 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.130 -2.567 13.637 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.768 -2.380 11.905 1.00 0.00 H new ATOM 1336 N ARG A 86 5.927 1.885 12.093 1.00 0.00 N ATOM 1337 CA ARG A 86 6.748 3.080 12.184 1.00 0.00 C ATOM 1338 C ARG A 86 5.941 4.235 12.781 1.00 0.00 C ATOM 1339 O ARG A 86 6.412 4.923 13.685 1.00 0.00 O ATOM 1340 CB ARG A 86 7.273 3.493 10.807 1.00 0.00 C ATOM 1341 CG ARG A 86 6.122 3.855 9.867 1.00 0.00 C ATOM 1342 CD ARG A 86 6.615 3.998 8.426 1.00 0.00 C ATOM 1343 NE ARG A 86 7.390 5.250 8.278 1.00 0.00 N ATOM 1344 CZ ARG A 86 8.265 5.480 7.289 1.00 0.00 C ATOM 1345 NH1 ARG A 86 8.481 4.544 6.355 1.00 0.00 N ATOM 1346 NH2 ARG A 86 8.923 6.646 7.234 1.00 0.00 N ATOM 0 H ARG A 86 5.813 1.516 11.149 1.00 0.00 H new ATOM 0 HA ARG A 86 7.595 2.852 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.944 4.345 10.911 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.856 2.679 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.351 3.086 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.662 4.788 10.192 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.236 3.143 8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.767 4.003 7.741 1.00 0.00 H new ATOM 0 HE ARG A 86 7.249 5.984 8.972 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.980 3.657 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.147 4.719 5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.758 7.359 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.589 6.821 6.481 1.00 0.00 H new ATOM 1360 N ARG A 87 4.739 4.411 12.252 1.00 0.00 N ATOM 1361 CA ARG A 87 3.863 5.470 12.721 1.00 0.00 C ATOM 1362 C ARG A 87 2.465 5.307 12.121 1.00 0.00 C ATOM 1363 O ARG A 87 2.051 4.196 11.794 1.00 0.00 O ATOM 1364 CB ARG A 87 4.414 6.848 12.347 1.00 0.00 C ATOM 1365 CG ARG A 87 4.133 7.170 10.878 1.00 0.00 C ATOM 1366 CD ARG A 87 5.367 7.773 10.204 1.00 0.00 C ATOM 1367 NE ARG A 87 5.042 9.109 9.657 1.00 0.00 N ATOM 1368 CZ ARG A 87 4.687 10.162 10.407 1.00 0.00 C ATOM 1369 NH1 ARG A 87 4.608 10.039 11.739 1.00 0.00 N ATOM 1370 NH2 ARG A 87 4.410 11.336 9.824 1.00 0.00 N ATOM 0 H ARG A 87 4.351 3.837 11.503 1.00 0.00 H new ATOM 0 HA ARG A 87 3.807 5.397 13.807 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.962 7.609 12.983 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.488 6.876 12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.835 6.262 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.298 7.868 10.808 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.182 7.854 10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.712 7.117 9.404 1.00 0.00 H new ATOM 0 HE ARG A 87 5.091 9.237 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.818 9.144 12.182 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.338 10.840 12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.469 11.428 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.140 12.137 10.394 1.00 0.00 H new ATOM 1384 N VAL A 88 1.775 6.432 11.995 1.00 0.00 N ATOM 1385 CA VAL A 88 0.432 6.428 11.440 1.00 0.00 C ATOM 1386 C VAL A 88 0.383 7.361 10.229 1.00 0.00 C ATOM 1387 O VAL A 88 1.003 8.424 10.234 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.583 6.799 12.523 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.831 7.435 11.909 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -0.949 5.580 13.372 1.00 0.00 C ATOM 0 H VAL A 88 2.121 7.352 12.268 1.00 0.00 H new ATOM 0 HA VAL A 88 0.165 5.430 11.092 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.120 7.536 13.179 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.536 7.689 12.700 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.550 8.339 11.369 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.297 6.730 11.220 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.672 5.871 14.134 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.384 4.810 12.735 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.052 5.189 13.853 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.360 6.931 9.220 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.499 7.715 8.005 1.00 0.00 C ATOM 1402 C TYR A 89 -1.957 8.118 7.775 1.00 0.00 C ATOM 1403 O TYR A 89 -2.872 7.367 8.108 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.048 6.804 6.861 1.00 0.00 C ATOM 1405 CG TYR A 89 1.462 6.565 6.815 1.00 0.00 C ATOM 1406 CD1 TYR A 89 2.334 7.615 7.022 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.953 5.300 6.566 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.756 7.390 6.978 1.00 0.00 C ATOM 1409 CE2 TYR A 89 3.375 5.075 6.522 1.00 0.00 C ATOM 1410 CZ TYR A 89 4.206 6.131 6.730 1.00 0.00 C ATOM 1411 OH TYR A 89 5.549 5.918 6.689 1.00 0.00 O ATOM 0 H TYR A 89 -0.872 6.049 9.219 1.00 0.00 H new ATOM 0 HA TYR A 89 0.091 8.629 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -0.555 5.844 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.365 7.242 5.915 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.950 8.605 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.271 4.478 6.404 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.449 8.203 7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 89 3.772 4.090 6.328 1.00 0.00 H new ATOM 0 HH TYR A 89 6.014 6.777 6.614 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.128 9.303 7.208 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.459 9.815 6.930 1.00 0.00 C ATOM 1423 C ASN A 90 -3.647 9.941 5.417 1.00 0.00 C ATOM 1424 O ASN A 90 -3.209 10.919 4.813 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.656 11.201 7.548 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.470 11.115 8.841 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.655 11.401 8.879 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.769 10.705 9.894 1.00 0.00 N ATOM 0 H ASN A 90 -1.367 9.924 6.933 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.183 9.122 7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.685 11.652 7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.165 11.851 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.221 10.614 10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.779 10.482 9.792 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.298 8.937 4.849 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.549 8.923 3.418 1.00 0.00 C ATOM 1437 C PHE A 91 -6.038 9.116 3.120 1.00 0.00 C ATOM 1438 O PHE A 91 -6.881 8.897 3.988 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.112 7.551 2.900 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.603 7.312 2.968 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.742 8.275 2.541 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.121 6.137 3.456 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.341 8.053 2.604 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.720 5.916 3.518 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.141 6.878 3.091 1.00 0.00 C ATOM 0 H PHE A 91 -4.659 8.127 5.354 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.001 9.733 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.618 6.778 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.440 7.443 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.124 9.208 2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.804 5.373 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.342 8.818 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.338 4.983 3.905 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.207 6.709 3.139 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.314 9.525 1.891 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.686 9.751 1.468 1.00 0.00 C ATOM 1457 C CYS A 92 -7.720 9.775 -0.061 1.00 0.00 C ATOM 1458 O CYS A 92 -6.814 10.311 -0.697 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.260 11.035 2.072 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.197 12.460 1.640 1.00 0.00 S ATOM 0 H CYS A 92 -5.611 9.706 1.174 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.319 8.942 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.272 11.200 1.702 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.329 10.938 3.155 1.00 0.00 H new ATOM 0 HG CYS A 92 -7.713 13.550 2.126 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.774 9.188 -0.607 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.938 9.135 -2.050 1.00 0.00 C ATOM 1468 C ALA A 93 -9.561 10.445 -2.537 1.00 0.00 C ATOM 1469 O ALA A 93 -9.663 11.407 -1.778 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.780 7.914 -2.424 1.00 0.00 C ATOM 0 H ALA A 93 -9.524 8.745 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.971 9.027 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.903 7.874 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.279 7.008 -2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.759 7.988 -1.950 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.963 10.439 -3.799 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.574 11.614 -4.396 1.00 0.00 C ATOM 1478 C GLN A 94 -12.099 11.515 -4.323 1.00 0.00 C ATOM 1479 O GLN A 94 -12.799 12.511 -4.501 1.00 0.00 O ATOM 1480 CB GLN A 94 -10.105 11.803 -5.840 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.626 11.440 -5.988 1.00 0.00 C ATOM 1482 CD GLN A 94 -8.461 10.068 -6.645 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -8.163 9.092 -5.792 1.00 0.00 O flip ATOM 1484 NE2 GLN A 94 -8.596 9.906 -7.847 1.00 0.00 N flip ATOM 0 H GLN A 94 -9.877 9.638 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.259 12.490 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.704 11.181 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.261 12.838 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.120 12.197 -6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.149 11.438 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.825 10.699 -8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.480 8.977 -8.253 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.569 10.304 -4.061 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.999 10.062 -3.963 1.00 0.00 C ATOM 1495 C ASP A 95 -14.283 9.207 -2.726 1.00 0.00 C ATOM 1496 O ASP A 95 -13.361 8.672 -2.112 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.515 9.305 -5.188 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.855 9.799 -5.737 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.633 10.346 -4.925 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -16.071 9.619 -6.955 1.00 0.00 O ATOM 0 H ASP A 95 -11.986 9.480 -3.914 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.501 11.028 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.768 9.373 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.612 8.250 -4.930 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.562 9.106 -2.397 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.979 8.326 -1.244 1.00 0.00 C ATOM 1507 C VAL A 96 -15.915 6.837 -1.591 1.00 0.00 C ATOM 1508 O VAL A 96 -15.379 6.040 -0.823 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.368 8.774 -0.784 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.176 7.590 -0.250 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.267 9.885 0.263 1.00 0.00 C ATOM 0 H VAL A 96 -16.324 9.551 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.304 8.493 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.894 9.176 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.159 7.935 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.292 6.844 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.654 7.146 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.268 10.185 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.713 9.520 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.748 10.742 -0.165 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.485 6.499 -2.779 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.498 5.120 -3.237 1.00 0.00 C ATOM 1523 C PRO A 97 -15.116 4.696 -3.739 1.00 0.00 C ATOM 1524 O PRO A 97 -14.834 3.505 -3.858 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.563 5.076 -4.321 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.779 6.517 -4.752 1.00 0.00 C ATOM 1527 CD PRO A 97 -17.129 7.417 -3.714 1.00 0.00 C ATOM 0 HA PRO A 97 -16.730 4.414 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.240 4.461 -5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.487 4.639 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.342 6.691 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.844 6.735 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.404 8.090 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.869 8.040 -3.211 1.00 0.00 H new ATOM 1535 N SER A 98 -14.292 5.695 -4.020 1.00 0.00 N ATOM 1536 CA SER A 98 -12.946 5.440 -4.506 1.00 0.00 C ATOM 1537 C SER A 98 -12.030 5.064 -3.340 1.00 0.00 C ATOM 1538 O SER A 98 -11.128 4.243 -3.494 1.00 0.00 O ATOM 1539 CB SER A 98 -12.389 6.657 -5.248 1.00 0.00 C ATOM 1540 OG SER A 98 -11.363 6.297 -6.169 1.00 0.00 O ATOM 0 H SER A 98 -14.530 6.682 -3.921 1.00 0.00 H new ATOM 0 HA SER A 98 -12.988 4.608 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.197 7.157 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.994 7.372 -4.526 1.00 0.00 H new ATOM 0 HG SER A 98 -11.035 7.101 -6.623 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.294 5.684 -2.199 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.505 5.425 -1.007 1.00 0.00 C ATOM 1548 C ALA A 99 -11.762 3.994 -0.531 1.00 0.00 C ATOM 1549 O ALA A 99 -10.822 3.236 -0.295 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.841 6.465 0.064 1.00 0.00 C ATOM 0 H ALA A 99 -13.043 6.365 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.441 5.514 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.249 6.271 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.613 7.462 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.901 6.404 0.310 1.00 0.00 H new ATOM 1556 N GLN A 100 -13.040 3.667 -0.404 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.432 2.341 0.040 1.00 0.00 C ATOM 1558 C GLN A 100 -12.670 1.271 -0.746 1.00 0.00 C ATOM 1559 O GLN A 100 -12.183 0.301 -0.168 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.944 2.144 -0.091 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.704 3.114 0.815 1.00 0.00 C ATOM 1562 CD GLN A 100 -15.281 2.945 2.276 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -14.704 1.945 2.670 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -15.598 3.976 3.054 1.00 0.00 N ATOM 0 H GLN A 100 -13.817 4.298 -0.601 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.175 2.242 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.246 2.297 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.204 1.118 0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.517 4.139 0.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.776 2.941 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.081 4.783 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.358 3.960 4.045 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.591 1.485 -2.051 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.896 0.552 -2.921 1.00 0.00 C ATOM 1575 C GLN A 101 -10.426 0.437 -2.511 1.00 0.00 C ATOM 1576 O GLN A 101 -9.825 -0.629 -2.636 1.00 0.00 O ATOM 1577 CB GLN A 101 -12.025 0.969 -4.387 1.00 0.00 C ATOM 1578 CG GLN A 101 -13.453 0.756 -4.895 1.00 0.00 C ATOM 1579 CD GLN A 101 -13.457 0.378 -6.377 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -12.555 0.706 -7.131 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -14.519 -0.328 -6.753 1.00 0.00 N ATOM 0 H GLN A 101 -12.997 2.291 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.360 -0.428 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.749 2.018 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -11.329 0.392 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.936 -0.030 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.035 1.666 -4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.238 -0.569 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.614 -0.628 -7.723 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.891 1.549 -2.029 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.503 1.586 -1.600 1.00 0.00 C ATOM 1592 C TRP A 102 -8.391 0.797 -0.294 1.00 0.00 C ATOM 1593 O TRP A 102 -7.696 -0.217 -0.235 1.00 0.00 O ATOM 1594 CB TRP A 102 -8.008 3.028 -1.471 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.377 3.586 -2.749 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.918 4.434 -3.634 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -6.055 3.298 -3.251 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -7.045 4.713 -4.666 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.876 4.000 -4.426 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -5.044 2.472 -2.731 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.697 3.947 -5.179 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.871 2.430 -3.495 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.676 3.131 -4.679 1.00 0.00 C ATOM 0 H TRP A 102 -10.393 2.431 -1.926 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.856 1.121 -2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.845 3.664 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.277 3.080 -0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.912 4.847 -3.550 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.225 5.329 -5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -5.162 1.913 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.582 4.506 -6.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -3.062 1.810 -3.139 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.740 3.046 -5.211 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.085 1.291 0.721 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.071 0.645 2.022 1.00 0.00 C ATOM 1616 C VAL A 103 -9.260 -0.862 1.840 1.00 0.00 C ATOM 1617 O VAL A 103 -8.477 -1.657 2.357 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.129 1.275 2.930 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.172 0.575 4.290 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -9.888 2.777 3.093 1.00 0.00 C ATOM 0 H VAL A 103 -9.661 2.131 0.668 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.109 0.795 2.513 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.101 1.142 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.932 1.042 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.415 -0.478 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.200 0.662 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.654 3.200 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -8.905 2.942 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.933 3.261 2.117 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.305 -1.211 1.103 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.607 -2.608 0.846 1.00 0.00 C ATOM 1632 C ASP A 104 -9.340 -3.320 0.367 1.00 0.00 C ATOM 1633 O ASP A 104 -9.049 -4.435 0.798 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.670 -2.751 -0.245 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.312 -4.136 -0.347 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.375 -4.810 0.704 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -12.724 -4.489 -1.472 1.00 0.00 O ATOM 0 H ASP A 104 -10.953 -0.549 0.676 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.979 -3.048 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.455 -2.016 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.218 -2.505 -1.206 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.620 -2.646 -0.518 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.391 -3.200 -1.060 1.00 0.00 C ATOM 1644 C ARG A 105 -6.342 -3.345 0.045 1.00 0.00 C ATOM 1645 O ARG A 105 -5.831 -4.438 0.281 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.831 -2.313 -2.173 1.00 0.00 C ATOM 1647 CG ARG A 105 -7.009 -2.972 -3.542 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.234 -2.213 -4.621 1.00 0.00 C ATOM 1649 NE ARG A 105 -6.600 -2.725 -5.961 1.00 0.00 N ATOM 1650 CZ ARG A 105 -7.787 -2.518 -6.546 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -8.731 -1.809 -5.913 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -8.030 -3.021 -7.764 1.00 0.00 N ATOM 0 H ARG A 105 -8.864 -1.722 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.624 -4.180 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.336 -1.347 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.773 -2.121 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.664 -4.005 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.067 -3.000 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.454 -1.147 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.162 -2.327 -4.459 1.00 0.00 H new ATOM 0 HE ARG A 105 -5.904 -3.270 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.546 -1.427 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.635 -1.651 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -7.311 -3.561 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.934 -2.864 -8.210 1.00 0.00 H new ATOM 1666 N ILE A 106 -6.052 -2.225 0.692 1.00 0.00 N ATOM 1667 CA ILE A 106 -5.073 -2.214 1.765 1.00 0.00 C ATOM 1668 C ILE A 106 -5.467 -3.249 2.820 1.00 0.00 C ATOM 1669 O ILE A 106 -4.633 -4.036 3.266 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.908 -0.799 2.324 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.488 0.179 1.225 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.935 -0.786 3.505 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -5.142 1.547 1.429 1.00 0.00 C ATOM 0 H ILE A 106 -6.478 -1.320 0.493 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.091 -2.500 1.388 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.875 -0.465 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.403 0.287 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.769 -0.221 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.836 0.231 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.315 -1.432 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.960 -1.148 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.827 2.223 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.226 1.439 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.839 1.955 2.394 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.739 -3.216 3.190 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.254 -4.142 4.185 1.00 0.00 C ATOM 1687 C GLN A 107 -7.087 -5.584 3.703 1.00 0.00 C ATOM 1688 O GLN A 107 -7.014 -6.508 4.512 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.718 -3.838 4.510 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.845 -3.152 5.872 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.421 -4.110 6.917 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.421 -5.319 6.755 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.910 -3.504 7.995 1.00 0.00 N ATOM 0 H GLN A 107 -7.428 -2.562 2.819 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.679 -4.017 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.141 -3.198 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.294 -4.763 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.867 -2.798 6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.487 -2.276 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.878 -2.487 8.067 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.317 -4.056 8.750 1.00 0.00 H new ATOM 1702 N SER A 108 -7.031 -5.733 2.388 1.00 0.00 N ATOM 1703 CA SER A 108 -6.874 -7.047 1.789 1.00 0.00 C ATOM 1704 C SER A 108 -5.431 -7.529 1.954 1.00 0.00 C ATOM 1705 O SER A 108 -5.112 -8.669 1.621 1.00 0.00 O ATOM 1706 CB SER A 108 -7.261 -7.028 0.309 1.00 0.00 C ATOM 1707 OG SER A 108 -8.024 -8.175 -0.059 1.00 0.00 O ATOM 0 H SER A 108 -7.092 -4.965 1.720 1.00 0.00 H new ATOM 0 HA SER A 108 -7.542 -7.738 2.303 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.836 -6.127 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.359 -6.982 -0.301 1.00 0.00 H new ATOM 0 HG SER A 108 -8.252 -8.124 -1.011 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.598 -6.636 2.468 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.197 -6.955 2.681 1.00 0.00 C ATOM 1715 C CYS A 109 -2.730 -6.242 3.951 1.00 0.00 C ATOM 1716 O CYS A 109 -1.910 -5.327 3.888 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.341 -6.582 1.469 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.655 -8.094 0.699 1.00 0.00 S ATOM 0 H CYS A 109 -4.867 -5.691 2.743 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.082 -8.032 2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -2.942 -6.035 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.531 -5.920 1.775 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.504 -8.371 1.237 1.00 0.00 H new