USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1004 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 67 GLN : amide:sc= -0.204 K(o=1.5,f=-0.53) USER MOD Set 1.2: A 120 THR OG1 : rot 88:sc= 1.74 USER MOD Set 2.1: A 51 SER OG : rot -43:sc= 0.182 USER MOD Set 2.2: A 88 MET CE :methyl 166:sc= -0.464 (180deg=-1.09) USER MOD Set 3.1: A 43 HIS : no HD1:sc= 0.818 K(o=2.1,f=-2.3) USER MOD Set 3.2: A 45 SER OG : rot 92:sc= 1.28 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 71:sc= 1.96 USER MOD Single : A 15 MET CE :methyl -152:sc= -3.73 (180deg=-7.56) USER MOD Single : A 20 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -21:sc= -0.911 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 91:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.83) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 0.235 (180deg=-0.894) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 2.4 (180deg=2.33) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 69:sc= 0.807 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0075 K(o=-0.0075,f=-1.8) USER MOD Single : A 91 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.12) USER MOD Single : A 92 SER OG : rot -85:sc= 0.613 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.026) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc=-0.00619 X(o=-0.0062,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.402 K(o=-0.4,f=-1.9) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -0.7 X(o=-0.7,f=-1) USER MOD Single : A 124 THR OG1 : rot 78:sc= 1.33 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.699 14.176 3.757 1.00 0.00 N ATOM 93 CA TYR A 10 8.251 14.290 3.734 1.00 0.00 C ATOM 94 C TYR A 10 7.708 14.222 2.306 1.00 0.00 C ATOM 95 O TYR A 10 6.638 13.659 2.091 1.00 0.00 O ATOM 96 CB TYR A 10 7.864 15.611 4.399 1.00 0.00 C ATOM 97 CG TYR A 10 6.415 15.991 4.189 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.406 15.465 5.014 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.078 16.834 3.116 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.062 15.817 4.803 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.741 17.214 2.920 1.00 0.00 C ATOM 102 CZ TYR A 10 3.721 16.709 3.760 1.00 0.00 C ATOM 103 OH TYR A 10 2.421 17.037 3.518 1.00 0.00 O ATOM 0 HA TYR A 10 7.813 13.454 4.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.062 15.542 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.500 16.405 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.665 14.787 5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.846 17.188 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.290 15.407 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.489 17.897 2.122 1.00 0.00 H new ATOM 0 HH TYR A 10 2.376 17.662 2.765 1.00 0.00 H new ATOM 113 N TRP A 11 8.447 14.728 1.307 1.00 0.00 N ATOM 114 CA TRP A 11 7.980 14.686 -0.073 1.00 0.00 C ATOM 115 C TRP A 11 7.663 13.263 -0.550 1.00 0.00 C ATOM 116 O TRP A 11 6.776 13.083 -1.380 1.00 0.00 O ATOM 117 CB TRP A 11 8.941 15.381 -1.036 1.00 0.00 C ATOM 118 CG TRP A 11 8.211 16.013 -2.179 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.738 17.276 -2.160 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.751 15.441 -3.444 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.094 17.554 -3.348 1.00 0.00 N ATOM 122 CE2 TRP A 11 7.090 16.462 -4.188 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.801 14.162 -4.034 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.589 16.242 -5.481 1.00 0.00 C ATOM 125 CZ3 TRP A 11 7.264 13.919 -5.313 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.682 14.962 -6.049 1.00 0.00 C ATOM 0 H TRP A 11 9.360 15.165 1.434 1.00 0.00 H new ATOM 0 HA TRP A 11 7.044 15.245 -0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.508 16.142 -0.500 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.661 14.657 -1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.847 17.967 -1.337 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.674 18.455 -3.576 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.262 13.349 -3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.136 17.051 -6.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.300 12.923 -5.730 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.308 14.781 -7.046 1.00 0.00 H new ATOM 137 N ARG A 12 8.333 12.234 -0.017 1.00 0.00 N ATOM 138 CA ARG A 12 7.999 10.841 -0.316 1.00 0.00 C ATOM 139 C ARG A 12 6.501 10.603 -0.077 1.00 0.00 C ATOM 140 O ARG A 12 5.873 9.898 -0.872 1.00 0.00 O ATOM 141 CB ARG A 12 8.864 9.882 0.510 1.00 0.00 C ATOM 142 CG ARG A 12 10.372 10.043 0.269 1.00 0.00 C ATOM 143 CD ARG A 12 10.841 9.857 -1.179 1.00 0.00 C ATOM 144 NE ARG A 12 11.085 11.126 -1.885 1.00 0.00 N ATOM 145 CZ ARG A 12 12.216 11.837 -1.888 1.00 0.00 C ATOM 146 NH1 ARG A 12 13.269 11.474 -1.163 1.00 0.00 N ATOM 147 NH2 ARG A 12 12.271 12.921 -2.641 1.00 0.00 N ATOM 0 H ARG A 12 9.115 12.344 0.628 1.00 0.00 H new ATOM 0 HA ARG A 12 8.213 10.641 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.656 10.040 1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.576 8.857 0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.670 11.037 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.900 9.325 0.897 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.757 9.266 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.091 9.285 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 12 10.308 11.502 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.226 10.634 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.120 12.035 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.463 13.195 -3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.121 13.484 -2.663 1.00 0.00 H new ATOM 161 N SER A 13 5.932 11.161 0.998 1.00 0.00 N ATOM 162 CA SER A 13 4.549 10.987 1.423 1.00 0.00 C ATOM 163 C SER A 13 3.613 11.422 0.302 1.00 0.00 C ATOM 164 O SER A 13 2.628 10.748 -0.005 1.00 0.00 O ATOM 165 CB SER A 13 4.342 11.828 2.700 1.00 0.00 C ATOM 166 OG SER A 13 3.264 11.380 3.501 1.00 0.00 O ATOM 0 H SER A 13 6.454 11.776 1.622 1.00 0.00 H new ATOM 0 HA SER A 13 4.328 9.942 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.257 11.808 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.168 12.866 2.418 1.00 0.00 H new ATOM 0 HG SER A 13 3.500 10.526 3.920 1.00 0.00 H new ATOM 172 N ARG A 14 3.955 12.533 -0.351 1.00 0.00 N ATOM 173 CA ARG A 14 3.155 13.156 -1.394 1.00 0.00 C ATOM 174 C ARG A 14 2.905 12.226 -2.564 1.00 0.00 C ATOM 175 O ARG A 14 1.901 12.408 -3.254 1.00 0.00 O ATOM 176 CB ARG A 14 3.854 14.434 -1.884 1.00 0.00 C ATOM 177 CG ARG A 14 4.238 15.402 -0.746 1.00 0.00 C ATOM 178 CD ARG A 14 3.093 15.645 0.231 1.00 0.00 C ATOM 179 NE ARG A 14 1.896 16.108 -0.474 1.00 0.00 N ATOM 180 CZ ARG A 14 0.653 16.113 0.004 1.00 0.00 C ATOM 181 NH1 ARG A 14 0.389 15.761 1.256 1.00 0.00 N ATOM 182 NH2 ARG A 14 -0.314 16.461 -0.827 1.00 0.00 N ATOM 0 H ARG A 14 4.822 13.035 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 14 2.184 13.399 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.754 14.158 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.198 14.951 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.093 14.998 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.553 16.354 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.869 14.725 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.393 16.386 0.972 1.00 0.00 H new ATOM 0 HE ARG A 14 2.027 16.461 -1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.147 15.478 1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.572 15.774 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.093 16.711 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.282 16.479 -0.505 1.00 0.00 H new ATOM 196 N MET A 15 3.805 11.265 -2.789 1.00 0.00 N ATOM 197 CA MET A 15 3.646 10.301 -3.864 1.00 0.00 C ATOM 198 C MET A 15 2.476 9.397 -3.532 1.00 0.00 C ATOM 199 O MET A 15 1.579 9.239 -4.358 1.00 0.00 O ATOM 200 CB MET A 15 4.914 9.473 -4.061 1.00 0.00 C ATOM 201 CG MET A 15 6.177 10.320 -4.241 1.00 0.00 C ATOM 202 SD MET A 15 7.147 9.926 -5.710 1.00 0.00 S ATOM 203 CE MET A 15 7.206 8.122 -5.613 1.00 0.00 C ATOM 0 H MET A 15 4.652 11.140 -2.235 1.00 0.00 H new ATOM 0 HA MET A 15 3.458 10.834 -4.796 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.046 8.816 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.788 8.833 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.890 11.371 -4.283 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.809 10.197 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.114 7.761 -6.095 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.203 7.814 -4.568 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.336 7.702 -6.118 1.00 0.00 H new ATOM 213 N ILE A 16 2.518 8.804 -2.332 1.00 0.00 N ATOM 214 CA ILE A 16 1.509 7.876 -1.846 1.00 0.00 C ATOM 215 C ILE A 16 0.168 8.602 -1.821 1.00 0.00 C ATOM 216 O ILE A 16 -0.809 8.097 -2.373 1.00 0.00 O ATOM 217 CB ILE A 16 1.879 7.307 -0.454 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.326 6.775 -0.334 1.00 0.00 C ATOM 219 CG2 ILE A 16 0.890 6.194 -0.064 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.735 5.727 -1.365 1.00 0.00 C ATOM 0 H ILE A 16 3.272 8.964 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 16 1.448 7.017 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 16 1.813 8.152 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.011 7.619 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.455 6.349 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.156 5.798 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.121 6.601 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.933 5.394 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.767 5.425 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.083 4.858 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.648 6.148 -2.366 1.00 0.00 H new ATOM 232 N ASP A 17 0.129 9.795 -1.221 1.00 0.00 N ATOM 233 CA ASP A 17 -1.072 10.615 -1.104 1.00 0.00 C ATOM 234 C ASP A 17 -1.734 10.789 -2.468 1.00 0.00 C ATOM 235 O ASP A 17 -2.935 10.549 -2.604 1.00 0.00 O ATOM 236 CB ASP A 17 -0.743 11.974 -0.468 1.00 0.00 C ATOM 237 CG ASP A 17 -0.824 11.911 1.055 1.00 0.00 C ATOM 238 OD1 ASP A 17 0.138 11.442 1.703 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.882 12.241 1.631 1.00 0.00 O ATOM 0 H ASP A 17 0.951 10.223 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.778 10.104 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.258 12.285 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.436 12.729 -0.840 1.00 0.00 H new ATOM 244 N ALA A 18 -0.963 11.178 -3.487 1.00 0.00 N ATOM 245 CA ALA A 18 -1.467 11.452 -4.828 1.00 0.00 C ATOM 246 C ALA A 18 -1.966 10.203 -5.561 1.00 0.00 C ATOM 247 O ALA A 18 -2.693 10.340 -6.545 1.00 0.00 O ATOM 248 CB ALA A 18 -0.380 12.158 -5.638 1.00 0.00 C ATOM 0 H ALA A 18 0.044 11.312 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.339 12.098 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.751 12.365 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.113 13.095 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.500 11.518 -5.702 1.00 0.00 H new ATOM 254 N VAL A 19 -1.650 8.990 -5.101 1.00 0.00 N ATOM 255 CA VAL A 19 -2.223 7.762 -5.655 1.00 0.00 C ATOM 256 C VAL A 19 -3.260 7.143 -4.718 1.00 0.00 C ATOM 257 O VAL A 19 -3.841 6.111 -5.055 1.00 0.00 O ATOM 258 CB VAL A 19 -1.129 6.773 -6.090 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.283 7.382 -7.206 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.200 6.296 -4.974 1.00 0.00 C ATOM 0 H VAL A 19 -0.993 8.832 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.766 8.030 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.673 5.892 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.488 6.673 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.919 7.610 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.186 8.299 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.535 5.603 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.313 7.153 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.785 5.792 -4.205 1.00 0.00 H new ATOM 270 N THR A 20 -3.545 7.767 -3.574 1.00 0.00 N ATOM 271 CA THR A 20 -4.507 7.298 -2.583 1.00 0.00 C ATOM 272 C THR A 20 -5.557 8.374 -2.280 1.00 0.00 C ATOM 273 O THR A 20 -6.177 8.358 -1.222 1.00 0.00 O ATOM 274 CB THR A 20 -3.771 6.735 -1.353 1.00 0.00 C ATOM 275 OG1 THR A 20 -2.896 7.678 -0.781 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.917 5.513 -1.711 1.00 0.00 C ATOM 0 H THR A 20 -3.096 8.642 -3.305 1.00 0.00 H new ATOM 0 HA THR A 20 -5.082 6.464 -2.985 1.00 0.00 H new ATOM 0 HB THR A 20 -4.559 6.467 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.174 7.880 -1.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.414 5.146 -0.816 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.556 4.728 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.173 5.795 -2.456 1.00 0.00 H new ATOM 284 N SER A 21 -5.744 9.324 -3.198 1.00 0.00 N ATOM 285 CA SER A 21 -6.701 10.411 -3.073 1.00 0.00 C ATOM 286 C SER A 21 -8.102 9.800 -3.076 1.00 0.00 C ATOM 287 O SER A 21 -8.431 9.021 -3.966 1.00 0.00 O ATOM 288 CB SER A 21 -6.460 11.367 -4.246 1.00 0.00 C ATOM 289 OG SER A 21 -7.270 12.521 -4.226 1.00 0.00 O ATOM 0 H SER A 21 -5.217 9.354 -4.071 1.00 0.00 H new ATOM 0 HA SER A 21 -6.592 10.978 -2.149 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.413 11.671 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.634 10.831 -5.179 1.00 0.00 H new ATOM 0 HG SER A 21 -7.059 13.082 -5.001 1.00 0.00 H new ATOM 295 N ASP A 22 -8.916 10.105 -2.075 1.00 0.00 N ATOM 296 CA ASP A 22 -10.309 9.693 -1.952 1.00 0.00 C ATOM 297 C ASP A 22 -11.151 10.297 -3.092 1.00 0.00 C ATOM 298 O ASP A 22 -11.667 11.405 -2.965 1.00 0.00 O ATOM 299 CB ASP A 22 -10.821 10.061 -0.546 1.00 0.00 C ATOM 300 CG ASP A 22 -10.726 11.556 -0.213 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.588 12.091 -0.156 1.00 0.00 O ATOM 302 OD2 ASP A 22 -11.761 12.206 0.050 1.00 0.00 O ATOM 0 H ASP A 22 -8.608 10.675 -1.287 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.400 8.612 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.860 9.746 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.252 9.499 0.194 1.00 0.00 H new ATOM 307 N GLU A 23 -11.251 9.590 -4.224 1.00 0.00 N ATOM 308 CA GLU A 23 -11.949 9.982 -5.450 1.00 0.00 C ATOM 309 C GLU A 23 -12.495 8.731 -6.146 1.00 0.00 C ATOM 310 O GLU A 23 -11.831 7.686 -6.130 1.00 0.00 O ATOM 311 CB GLU A 23 -10.970 10.642 -6.440 1.00 0.00 C ATOM 312 CG GLU A 23 -10.279 11.892 -5.897 1.00 0.00 C ATOM 313 CD GLU A 23 -9.314 12.512 -6.901 1.00 0.00 C ATOM 314 OE1 GLU A 23 -8.545 11.786 -7.578 1.00 0.00 O ATOM 315 OE2 GLU A 23 -9.250 13.761 -6.942 1.00 0.00 O ATOM 0 H GLU A 23 -10.818 8.671 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.746 10.674 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.210 9.914 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.512 10.905 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.033 12.629 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.736 11.636 -4.987 1.00 0.00 H new ATOM 322 N ASP A 24 -13.624 8.850 -6.852 1.00 0.00 N ATOM 323 CA ASP A 24 -14.192 7.765 -7.662 1.00 0.00 C ATOM 324 C ASP A 24 -13.255 7.322 -8.787 1.00 0.00 C ATOM 325 O ASP A 24 -13.325 6.184 -9.260 1.00 0.00 O ATOM 326 CB ASP A 24 -15.536 8.183 -8.283 1.00 0.00 C ATOM 327 CG ASP A 24 -15.422 8.767 -9.699 1.00 0.00 C ATOM 328 OD1 ASP A 24 -15.236 9.996 -9.856 1.00 0.00 O ATOM 329 OD2 ASP A 24 -15.598 8.009 -10.682 1.00 0.00 O ATOM 0 H ASP A 24 -14.174 9.708 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.338 6.928 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.195 7.315 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.009 8.921 -7.635 1.00 0.00 H new ATOM 334 N LYS A 25 -12.401 8.239 -9.240 1.00 0.00 N ATOM 335 CA LYS A 25 -11.448 8.000 -10.299 1.00 0.00 C ATOM 336 C LYS A 25 -10.296 7.201 -9.729 1.00 0.00 C ATOM 337 O LYS A 25 -9.593 7.647 -8.821 1.00 0.00 O ATOM 338 CB LYS A 25 -10.992 9.338 -10.860 1.00 0.00 C ATOM 339 CG LYS A 25 -10.087 9.205 -12.089 1.00 0.00 C ATOM 340 CD LYS A 25 -9.955 10.537 -12.840 1.00 0.00 C ATOM 341 CE LYS A 25 -9.369 11.656 -11.966 1.00 0.00 C ATOM 342 NZ LYS A 25 -9.543 12.986 -12.587 1.00 0.00 N ATOM 0 H LYS A 25 -12.359 9.187 -8.866 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.890 7.430 -11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.868 9.930 -11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.459 9.887 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.100 8.862 -11.779 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.492 8.447 -12.760 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.320 10.395 -13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.936 10.842 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.852 11.645 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.308 11.469 -11.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.135 13.715 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.060 13.005 -13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.556 13.176 -12.723 1.00 0.00 H new ATOM 356 N VAL A 26 -10.115 6.012 -10.269 1.00 0.00 N ATOM 357 CA VAL A 26 -8.978 5.153 -9.968 1.00 0.00 C ATOM 358 C VAL A 26 -7.703 5.859 -10.450 1.00 0.00 C ATOM 359 O VAL A 26 -7.718 6.509 -11.501 1.00 0.00 O ATOM 360 CB VAL A 26 -9.186 3.762 -10.602 1.00 0.00 C ATOM 361 CG1 VAL A 26 -10.425 3.076 -10.006 1.00 0.00 C ATOM 362 CG2 VAL A 26 -9.348 3.807 -12.129 1.00 0.00 C ATOM 0 H VAL A 26 -10.764 5.605 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.880 4.983 -8.896 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.281 3.198 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.555 2.096 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.293 2.958 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.307 3.687 -10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.490 2.796 -12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.215 4.417 -12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.454 4.241 -12.577 1.00 0.00 H new ATOM 372 N ALA A 27 -6.607 5.774 -9.688 1.00 0.00 N ATOM 373 CA ALA A 27 -5.316 6.301 -10.128 1.00 0.00 C ATOM 374 C ALA A 27 -4.743 5.402 -11.237 1.00 0.00 C ATOM 375 O ALA A 27 -5.051 4.202 -11.255 1.00 0.00 O ATOM 376 CB ALA A 27 -4.351 6.373 -8.936 1.00 0.00 C ATOM 0 H ALA A 27 -6.591 5.344 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.448 7.307 -10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.390 6.766 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.766 7.029 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.210 5.375 -8.521 1.00 0.00 H new ATOM 382 N PRO A 28 -3.886 5.920 -12.131 1.00 0.00 N ATOM 383 CA PRO A 28 -3.267 5.117 -13.178 1.00 0.00 C ATOM 384 C PRO A 28 -2.134 4.261 -12.616 1.00 0.00 C ATOM 385 O PRO A 28 -1.589 4.556 -11.550 1.00 0.00 O ATOM 386 CB PRO A 28 -2.705 6.131 -14.168 1.00 0.00 C ATOM 387 CG PRO A 28 -2.340 7.304 -13.264 1.00 0.00 C ATOM 388 CD PRO A 28 -3.447 7.304 -12.221 1.00 0.00 C ATOM 0 HA PRO A 28 -3.983 4.433 -13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.836 5.742 -14.699 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.440 6.413 -14.922 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.359 7.170 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.309 8.243 -13.817 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.082 7.665 -11.259 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.267 7.959 -12.517 1.00 0.00 H new ATOM 396 N VAL A 29 -1.716 3.241 -13.364 1.00 0.00 N ATOM 397 CA VAL A 29 -0.566 2.415 -13.020 1.00 0.00 C ATOM 398 C VAL A 29 0.717 3.244 -13.030 1.00 0.00 C ATOM 399 O VAL A 29 1.528 3.043 -12.130 1.00 0.00 O ATOM 400 CB VAL A 29 -0.496 1.191 -13.954 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.838 0.439 -13.869 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.623 0.214 -13.573 1.00 0.00 C ATOM 0 H VAL A 29 -2.172 2.964 -14.233 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.681 2.037 -12.004 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.600 1.562 -14.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.821 -0.411 -14.551 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.652 1.109 -14.145 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.991 0.083 -12.850 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.585 -0.658 -14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.495 -0.103 -12.538 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.587 0.710 -13.684 1.00 0.00 H new ATOM 412 N TYR A 30 0.891 4.189 -13.965 1.00 0.00 N ATOM 413 CA TYR A 30 2.168 4.897 -14.074 1.00 0.00 C ATOM 414 C TYR A 30 2.507 5.663 -12.801 1.00 0.00 C ATOM 415 O TYR A 30 3.663 5.719 -12.383 1.00 0.00 O ATOM 416 CB TYR A 30 2.216 5.824 -15.293 1.00 0.00 C ATOM 417 CG TYR A 30 1.357 7.079 -15.274 1.00 0.00 C ATOM 418 CD1 TYR A 30 1.843 8.277 -14.712 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.106 7.078 -15.911 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.099 9.469 -14.800 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.648 8.258 -15.994 1.00 0.00 C ATOM 422 CZ TYR A 30 -0.152 9.467 -15.462 1.00 0.00 C ATOM 423 OH TYR A 30 -0.898 10.600 -15.606 1.00 0.00 O ATOM 0 H TYR A 30 0.181 4.474 -14.640 1.00 0.00 H new ATOM 0 HA TYR A 30 2.929 4.129 -14.215 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.252 6.131 -15.437 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.932 5.239 -16.168 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.798 8.280 -14.208 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.278 6.164 -16.339 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.481 10.380 -14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.617 8.241 -16.470 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.723 10.389 -16.090 1.00 0.00 H new ATOM 433 N LYS A 31 1.496 6.230 -12.141 1.00 0.00 N ATOM 434 CA LYS A 31 1.746 6.898 -10.881 1.00 0.00 C ATOM 435 C LYS A 31 2.112 5.888 -9.794 1.00 0.00 C ATOM 436 O LYS A 31 2.802 6.291 -8.867 1.00 0.00 O ATOM 437 CB LYS A 31 0.564 7.760 -10.449 1.00 0.00 C ATOM 438 CG LYS A 31 0.352 8.964 -11.370 1.00 0.00 C ATOM 439 CD LYS A 31 -0.720 9.883 -10.786 1.00 0.00 C ATOM 440 CE LYS A 31 -0.759 11.162 -11.617 1.00 0.00 C ATOM 441 NZ LYS A 31 -1.860 12.052 -11.211 1.00 0.00 N ATOM 0 H LYS A 31 0.525 6.237 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 31 2.595 7.566 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.340 7.152 -10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.727 8.110 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.287 9.511 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.052 8.626 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.692 9.390 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.496 10.114 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.189 11.689 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.870 10.906 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.850 12.908 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.768 11.559 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.741 12.318 -10.213 1.00 0.00 H new ATOM 455 N LEU A 32 1.642 4.633 -9.834 1.00 0.00 N ATOM 456 CA LEU A 32 1.970 3.650 -8.810 1.00 0.00 C ATOM 457 C LEU A 32 3.404 3.160 -8.986 1.00 0.00 C ATOM 458 O LEU A 32 4.070 2.895 -7.985 1.00 0.00 O ATOM 459 CB LEU A 32 1.049 2.417 -8.853 1.00 0.00 C ATOM 460 CG LEU A 32 -0.473 2.618 -8.824 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.161 1.276 -8.548 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.930 3.645 -7.791 1.00 0.00 C ATOM 0 H LEU A 32 1.031 4.281 -10.571 1.00 0.00 H new ATOM 0 HA LEU A 32 1.838 4.156 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.289 1.859 -9.758 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.312 1.781 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.757 3.007 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.241 1.418 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.904 0.567 -9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.828 0.887 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.016 3.737 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.624 3.321 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.477 4.611 -8.013 1.00 0.00 H new ATOM 474 N GLU A 33 3.871 2.974 -10.226 1.00 0.00 N ATOM 475 CA GLU A 33 5.180 2.364 -10.456 1.00 0.00 C ATOM 476 C GLU A 33 6.319 3.256 -9.956 1.00 0.00 C ATOM 477 O GLU A 33 7.334 2.765 -9.469 1.00 0.00 O ATOM 478 CB GLU A 33 5.376 1.916 -11.907 1.00 0.00 C ATOM 479 CG GLU A 33 5.462 3.046 -12.925 1.00 0.00 C ATOM 480 CD GLU A 33 5.984 2.503 -14.243 1.00 0.00 C ATOM 481 OE1 GLU A 33 7.230 2.461 -14.393 1.00 0.00 O ATOM 482 OE2 GLU A 33 5.174 2.057 -15.085 1.00 0.00 O ATOM 0 H GLU A 33 3.367 3.234 -11.074 1.00 0.00 H new ATOM 0 HA GLU A 33 5.210 1.453 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.288 1.323 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.550 1.260 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.480 3.496 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.121 3.832 -12.557 1.00 0.00 H new ATOM 489 N GLU A 34 6.102 4.568 -9.998 1.00 0.00 N ATOM 490 CA GLU A 34 7.012 5.596 -9.507 1.00 0.00 C ATOM 491 C GLU A 34 7.358 5.411 -8.021 1.00 0.00 C ATOM 492 O GLU A 34 8.473 5.713 -7.594 1.00 0.00 O ATOM 493 CB GLU A 34 6.335 6.941 -9.802 1.00 0.00 C ATOM 494 CG GLU A 34 6.940 8.155 -9.090 1.00 0.00 C ATOM 495 CD GLU A 34 6.441 9.479 -9.675 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.296 9.547 -10.184 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.174 10.491 -9.615 1.00 0.00 O ATOM 0 H GLU A 34 5.247 4.960 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 34 7.977 5.537 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.370 7.118 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.283 6.867 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.692 8.112 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.027 8.114 -9.165 1.00 0.00 H new ATOM 504 N ILE A 35 6.426 4.903 -7.215 1.00 0.00 N ATOM 505 CA ILE A 35 6.679 4.639 -5.803 1.00 0.00 C ATOM 506 C ILE A 35 7.693 3.500 -5.677 1.00 0.00 C ATOM 507 O ILE A 35 8.537 3.534 -4.780 1.00 0.00 O ATOM 508 CB ILE A 35 5.333 4.350 -5.096 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.536 5.664 -4.883 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.507 3.635 -3.744 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.758 6.210 -6.072 1.00 0.00 C ATOM 0 H ILE A 35 5.483 4.665 -7.521 1.00 0.00 H new ATOM 0 HA ILE A 35 7.118 5.505 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 35 4.780 3.680 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.833 5.503 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.235 6.433 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.529 3.460 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.011 2.681 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.104 4.257 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.249 7.130 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.445 6.418 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.021 5.474 -6.394 1.00 0.00 H new ATOM 523 N CYS A 36 7.590 2.475 -6.530 1.00 0.00 N ATOM 524 CA CYS A 36 8.549 1.385 -6.513 1.00 0.00 C ATOM 525 C CYS A 36 9.918 1.915 -6.929 1.00 0.00 C ATOM 526 O CYS A 36 10.903 1.587 -6.276 1.00 0.00 O ATOM 527 CB CYS A 36 8.096 0.243 -7.428 1.00 0.00 C ATOM 528 SG CYS A 36 9.243 -1.157 -7.351 1.00 0.00 S ATOM 0 H CYS A 36 6.856 2.385 -7.232 1.00 0.00 H new ATOM 0 HA CYS A 36 8.617 0.981 -5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.098 -0.085 -7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.026 0.603 -8.455 1.00 0.00 H new ATOM 0 HG CYS A 36 10.396 -0.750 -6.909 1.00 0.00 H new ATOM 534 N ASP A 37 9.968 2.743 -7.976 1.00 0.00 N ATOM 535 CA ASP A 37 11.204 3.310 -8.516 1.00 0.00 C ATOM 536 C ASP A 37 12.016 3.973 -7.414 1.00 0.00 C ATOM 537 O ASP A 37 13.192 3.662 -7.207 1.00 0.00 O ATOM 538 CB ASP A 37 10.878 4.323 -9.616 1.00 0.00 C ATOM 539 CG ASP A 37 12.142 4.862 -10.288 1.00 0.00 C ATOM 540 OD1 ASP A 37 13.011 4.049 -10.671 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.236 6.097 -10.461 1.00 0.00 O ATOM 0 H ASP A 37 9.134 3.043 -8.481 1.00 0.00 H new ATOM 0 HA ASP A 37 11.800 2.503 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.241 3.853 -10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.312 5.151 -9.190 1.00 0.00 H new ATOM 546 N LEU A 38 11.350 4.829 -6.635 1.00 0.00 N ATOM 547 CA LEU A 38 11.980 5.447 -5.487 1.00 0.00 C ATOM 548 C LEU A 38 12.474 4.407 -4.495 1.00 0.00 C ATOM 549 O LEU A 38 13.643 4.458 -4.128 1.00 0.00 O ATOM 550 CB LEU A 38 11.104 6.503 -4.829 1.00 0.00 C ATOM 551 CG LEU A 38 11.028 7.775 -5.695 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.471 8.975 -4.942 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.342 8.284 -6.309 1.00 0.00 C ATOM 0 H LEU A 38 10.379 5.103 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 38 12.855 5.979 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.102 6.104 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.504 6.751 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 38 10.375 7.419 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.442 9.840 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.462 8.751 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.109 9.195 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.146 9.183 -6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.050 8.515 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.763 7.515 -6.957 1.00 0.00 H new ATOM 565 N LEU A 39 11.635 3.476 -4.045 1.00 0.00 N ATOM 566 CA LEU A 39 12.034 2.457 -3.069 1.00 0.00 C ATOM 567 C LEU A 39 13.161 1.546 -3.571 1.00 0.00 C ATOM 568 O LEU A 39 13.854 0.939 -2.753 1.00 0.00 O ATOM 569 CB LEU A 39 10.828 1.584 -2.712 1.00 0.00 C ATOM 570 CG LEU A 39 9.778 2.286 -1.856 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.431 1.582 -1.977 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.251 2.233 -0.418 1.00 0.00 C ATOM 0 H LEU A 39 10.662 3.404 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 39 12.407 2.995 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.358 1.239 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.179 0.698 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 39 9.652 3.316 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.695 2.097 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.106 1.596 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.528 0.550 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.522 2.727 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.360 1.193 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.212 2.740 -0.332 1.00 0.00 H new ATOM 584 N ARG A 40 13.357 1.444 -4.886 1.00 0.00 N ATOM 585 CA ARG A 40 14.464 0.725 -5.501 1.00 0.00 C ATOM 586 C ARG A 40 15.736 1.552 -5.346 1.00 0.00 C ATOM 587 O ARG A 40 16.769 1.036 -4.906 1.00 0.00 O ATOM 588 CB ARG A 40 14.100 0.447 -6.978 1.00 0.00 C ATOM 589 CG ARG A 40 14.785 -0.793 -7.553 1.00 0.00 C ATOM 590 CD ARG A 40 16.265 -0.588 -7.928 1.00 0.00 C ATOM 591 NE ARG A 40 17.096 -1.750 -7.583 1.00 0.00 N ATOM 592 CZ ARG A 40 16.849 -3.022 -7.915 1.00 0.00 C ATOM 593 NH1 ARG A 40 15.956 -3.313 -8.856 1.00 0.00 N ATOM 594 NH2 ARG A 40 17.487 -4.002 -7.285 1.00 0.00 N ATOM 0 H ARG A 40 12.731 1.872 -5.568 1.00 0.00 H new ATOM 0 HA ARG A 40 14.645 -0.235 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.020 0.327 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.371 1.314 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.716 -1.601 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.240 -1.116 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.343 -0.394 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.648 0.294 -7.415 1.00 0.00 H new ATOM 0 HE ARG A 40 17.940 -1.570 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.453 -2.563 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.774 -4.286 -9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.162 -3.783 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.302 -4.974 -7.534 1.00 0.00 H new ATOM 608 N SER A 41 15.664 2.830 -5.721 1.00 0.00 N ATOM 609 CA SER A 41 16.793 3.747 -5.748 1.00 0.00 C ATOM 610 C SER A 41 17.193 4.248 -4.355 1.00 0.00 C ATOM 611 O SER A 41 18.280 4.804 -4.194 1.00 0.00 O ATOM 612 CB SER A 41 16.432 4.921 -6.677 1.00 0.00 C ATOM 613 OG SER A 41 17.587 5.466 -7.288 1.00 0.00 O ATOM 0 H SER A 41 14.791 3.263 -6.022 1.00 0.00 H new ATOM 0 HA SER A 41 17.665 3.213 -6.125 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.738 4.580 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.920 5.696 -6.106 1.00 0.00 H new ATOM 0 HG SER A 41 17.328 6.208 -7.873 1.00 0.00 H new ATOM 619 N SER A 42 16.336 4.111 -3.345 1.00 0.00 N ATOM 620 CA SER A 42 16.521 4.785 -2.072 1.00 0.00 C ATOM 621 C SER A 42 17.184 3.882 -1.040 1.00 0.00 C ATOM 622 O SER A 42 17.059 2.658 -1.080 1.00 0.00 O ATOM 623 CB SER A 42 15.171 5.260 -1.554 1.00 0.00 C ATOM 624 OG SER A 42 14.585 6.176 -2.456 1.00 0.00 O ATOM 0 H SER A 42 15.498 3.531 -3.391 1.00 0.00 H new ATOM 0 HA SER A 42 17.183 5.636 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.509 4.406 -1.414 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.295 5.731 -0.579 1.00 0.00 H new ATOM 0 HG SER A 42 14.029 5.690 -3.100 1.00 0.00 H new ATOM 630 N HIS A 43 17.838 4.512 -0.068 1.00 0.00 N ATOM 631 CA HIS A 43 18.345 3.880 1.137 1.00 0.00 C ATOM 632 C HIS A 43 17.194 3.368 2.012 1.00 0.00 C ATOM 633 O HIS A 43 16.066 3.859 1.912 1.00 0.00 O ATOM 634 CB HIS A 43 19.250 4.889 1.850 1.00 0.00 C ATOM 635 CG HIS A 43 20.021 4.314 3.004 1.00 0.00 C ATOM 636 ND1 HIS A 43 19.953 4.749 4.298 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.940 3.302 2.961 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.795 4.012 5.036 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.411 3.102 4.265 1.00 0.00 N ATOM 0 H HIS A 43 18.034 5.512 -0.103 1.00 0.00 H new ATOM 0 HA HIS A 43 18.936 2.996 0.897 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.953 5.304 1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.639 5.716 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 43 21.247 2.756 2.081 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.955 4.133 6.097 1.00 0.00 H new ATOM 0 HE2 HIS A 43 22.089 2.403 4.569 1.00 0.00 H new ATOM 647 N VAL A 44 17.485 2.433 2.922 1.00 0.00 N ATOM 648 CA VAL A 44 16.509 1.835 3.834 1.00 0.00 C ATOM 649 C VAL A 44 15.780 2.911 4.653 1.00 0.00 C ATOM 650 O VAL A 44 14.574 2.819 4.848 1.00 0.00 O ATOM 651 CB VAL A 44 17.205 0.778 4.712 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.188 1.399 5.715 1.00 0.00 C ATOM 653 CG2 VAL A 44 16.197 -0.111 5.452 1.00 0.00 C ATOM 0 H VAL A 44 18.428 2.064 3.047 1.00 0.00 H new ATOM 0 HA VAL A 44 15.736 1.327 3.258 1.00 0.00 H new ATOM 0 HB VAL A 44 17.776 0.155 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.650 0.610 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.960 1.947 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.652 2.082 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.733 -0.841 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.571 0.507 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.570 -0.631 4.728 1.00 0.00 H new ATOM 663 N SER A 45 16.474 3.980 5.046 1.00 0.00 N ATOM 664 CA SER A 45 15.909 5.090 5.799 1.00 0.00 C ATOM 665 C SER A 45 14.720 5.754 5.084 1.00 0.00 C ATOM 666 O SER A 45 13.914 6.419 5.728 1.00 0.00 O ATOM 667 CB SER A 45 17.014 6.121 6.008 1.00 0.00 C ATOM 668 OG SER A 45 18.232 5.537 6.437 1.00 0.00 O ATOM 0 H SER A 45 17.467 4.096 4.843 1.00 0.00 H new ATOM 0 HA SER A 45 15.529 4.704 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.183 6.661 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.687 6.854 6.746 1.00 0.00 H new ATOM 0 HG SER A 45 18.786 5.326 5.657 1.00 0.00 H new ATOM 674 N ILE A 46 14.615 5.602 3.760 1.00 0.00 N ATOM 675 CA ILE A 46 13.543 6.156 2.949 1.00 0.00 C ATOM 676 C ILE A 46 12.465 5.088 2.729 1.00 0.00 C ATOM 677 O ILE A 46 11.290 5.441 2.673 1.00 0.00 O ATOM 678 CB ILE A 46 14.089 6.644 1.593 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.526 7.225 1.598 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.139 7.655 0.934 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.743 8.431 2.511 1.00 0.00 C ATOM 0 H ILE A 46 15.296 5.074 3.214 1.00 0.00 H new ATOM 0 HA ILE A 46 13.108 7.008 3.471 1.00 0.00 H new ATOM 0 HB ILE A 46 14.148 5.725 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.217 6.437 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.788 7.510 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.556 7.978 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.169 7.187 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.017 8.519 1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.780 8.759 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.084 9.243 2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.520 8.152 3.541 1.00 0.00 H new ATOM 693 N VAL A 47 12.838 3.801 2.627 1.00 0.00 N ATOM 694 CA VAL A 47 11.888 2.686 2.631 1.00 0.00 C ATOM 695 C VAL A 47 10.977 2.855 3.846 1.00 0.00 C ATOM 696 O VAL A 47 9.762 2.787 3.705 1.00 0.00 O ATOM 697 CB VAL A 47 12.594 1.317 2.713 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.585 0.179 2.895 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.457 1.028 1.473 1.00 0.00 C ATOM 0 H VAL A 47 13.811 3.508 2.539 1.00 0.00 H new ATOM 0 HA VAL A 47 11.325 2.703 1.698 1.00 0.00 H new ATOM 0 HB VAL A 47 13.247 1.368 3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.115 -0.772 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.024 0.334 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.897 0.164 2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.932 0.053 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.827 1.029 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.224 1.797 1.376 1.00 0.00 H new ATOM 709 N LYS A 48 11.585 3.075 5.018 1.00 0.00 N ATOM 710 CA LYS A 48 10.919 3.228 6.301 1.00 0.00 C ATOM 711 C LYS A 48 9.749 4.195 6.187 1.00 0.00 C ATOM 712 O LYS A 48 8.614 3.805 6.451 1.00 0.00 O ATOM 713 CB LYS A 48 11.955 3.681 7.343 1.00 0.00 C ATOM 714 CG LYS A 48 12.818 2.512 7.810 1.00 0.00 C ATOM 715 CD LYS A 48 13.756 2.938 8.947 1.00 0.00 C ATOM 716 CE LYS A 48 13.910 1.767 9.912 1.00 0.00 C ATOM 717 NZ LYS A 48 12.766 1.662 10.846 1.00 0.00 N ATOM 0 H LYS A 48 12.599 3.153 5.093 1.00 0.00 H new ATOM 0 HA LYS A 48 10.499 2.275 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.590 4.456 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.444 4.124 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.179 1.696 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.405 2.132 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.727 3.230 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.351 3.806 9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.001 0.840 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.832 1.885 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.912 0.853 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.693 2.536 11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.888 1.523 10.306 1.00 0.00 H new ATOM 731 N GLU A 49 10.035 5.432 5.788 1.00 0.00 N ATOM 732 CA GLU A 49 9.040 6.482 5.637 1.00 0.00 C ATOM 733 C GLU A 49 7.978 6.093 4.620 1.00 0.00 C ATOM 734 O GLU A 49 6.788 6.253 4.889 1.00 0.00 O ATOM 735 CB GLU A 49 9.741 7.752 5.164 1.00 0.00 C ATOM 736 CG GLU A 49 10.416 8.508 6.313 1.00 0.00 C ATOM 737 CD GLU A 49 9.688 9.811 6.667 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.806 10.782 5.874 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.039 9.851 7.738 1.00 0.00 O ATOM 0 H GLU A 49 10.981 5.734 5.558 1.00 0.00 H new ATOM 0 HA GLU A 49 8.551 6.642 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.488 7.494 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.016 8.405 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.454 7.866 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.446 8.734 6.039 1.00 0.00 H new ATOM 746 N PHE A 50 8.395 5.589 3.455 1.00 0.00 N ATOM 747 CA PHE A 50 7.466 5.198 2.408 1.00 0.00 C ATOM 748 C PHE A 50 6.462 4.197 2.936 1.00 0.00 C ATOM 749 O PHE A 50 5.268 4.335 2.669 1.00 0.00 O ATOM 750 CB PHE A 50 8.197 4.548 1.228 1.00 0.00 C ATOM 751 CG PHE A 50 8.380 5.379 -0.012 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.321 5.480 -0.926 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.606 6.007 -0.280 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.457 6.272 -2.075 1.00 0.00 C ATOM 755 CE2 PHE A 50 9.761 6.745 -1.461 1.00 0.00 C ATOM 756 CZ PHE A 50 8.689 6.871 -2.355 1.00 0.00 C ATOM 0 H PHE A 50 9.377 5.444 3.219 1.00 0.00 H new ATOM 0 HA PHE A 50 6.963 6.106 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.183 4.235 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.654 3.644 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.399 4.947 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.425 5.922 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.617 6.418 -2.738 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.707 7.217 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.816 7.435 -3.267 1.00 0.00 H new ATOM 766 N SER A 51 6.948 3.156 3.615 1.00 0.00 N ATOM 767 CA SER A 51 6.094 2.119 4.128 1.00 0.00 C ATOM 768 C SER A 51 5.102 2.767 5.072 1.00 0.00 C ATOM 769 O SER A 51 3.915 2.538 4.897 1.00 0.00 O ATOM 770 CB SER A 51 6.944 1.035 4.782 1.00 0.00 C ATOM 771 OG SER A 51 7.758 0.437 3.787 1.00 0.00 O ATOM 0 H SER A 51 7.939 3.022 3.816 1.00 0.00 H new ATOM 0 HA SER A 51 5.530 1.622 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.563 1.464 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.306 0.285 5.250 1.00 0.00 H new ATOM 0 HG SER A 51 7.226 0.280 2.979 1.00 0.00 H new ATOM 777 N GLU A 52 5.543 3.606 6.006 1.00 0.00 N ATOM 778 CA GLU A 52 4.621 4.337 6.869 1.00 0.00 C ATOM 779 C GLU A 52 3.566 5.101 6.070 1.00 0.00 C ATOM 780 O GLU A 52 2.385 4.885 6.312 1.00 0.00 O ATOM 781 CB GLU A 52 5.366 5.194 7.898 1.00 0.00 C ATOM 782 CG GLU A 52 6.150 4.250 8.826 1.00 0.00 C ATOM 783 CD GLU A 52 6.354 4.791 10.237 1.00 0.00 C ATOM 784 OE1 GLU A 52 7.150 5.738 10.417 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.803 4.176 11.184 1.00 0.00 O ATOM 0 H GLU A 52 6.529 3.796 6.184 1.00 0.00 H new ATOM 0 HA GLU A 52 4.060 3.605 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.044 5.886 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.663 5.796 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.623 3.298 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.125 4.048 8.382 1.00 0.00 H new ATOM 792 N PHE A 53 3.924 5.916 5.078 1.00 0.00 N ATOM 793 CA PHE A 53 2.935 6.695 4.337 1.00 0.00 C ATOM 794 C PHE A 53 1.914 5.830 3.576 1.00 0.00 C ATOM 795 O PHE A 53 0.833 6.329 3.231 1.00 0.00 O ATOM 796 CB PHE A 53 3.660 7.696 3.428 1.00 0.00 C ATOM 797 CG PHE A 53 4.611 8.640 4.152 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.260 9.213 5.391 1.00 0.00 C ATOM 799 CD2 PHE A 53 5.858 8.961 3.584 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.151 10.069 6.055 1.00 0.00 C ATOM 801 CE2 PHE A 53 6.749 9.821 4.245 1.00 0.00 C ATOM 802 CZ PHE A 53 6.402 10.364 5.490 1.00 0.00 C ATOM 0 H PHE A 53 4.887 6.053 4.771 1.00 0.00 H new ATOM 0 HA PHE A 53 2.330 7.246 5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.222 7.142 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.915 8.289 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.299 8.992 5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.133 8.541 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.874 10.503 7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.700 10.064 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.095 11.007 6.013 1.00 0.00 H new ATOM 812 N ILE A 54 2.223 4.549 3.342 1.00 0.00 N ATOM 813 CA ILE A 54 1.322 3.534 2.802 1.00 0.00 C ATOM 814 C ILE A 54 0.486 2.915 3.926 1.00 0.00 C ATOM 815 O ILE A 54 -0.732 2.800 3.798 1.00 0.00 O ATOM 816 CB ILE A 54 2.128 2.457 2.041 1.00 0.00 C ATOM 817 CG1 ILE A 54 2.933 3.040 0.852 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.189 1.390 1.466 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.138 2.181 0.442 1.00 0.00 C ATOM 0 H ILE A 54 3.154 4.178 3.535 1.00 0.00 H new ATOM 0 HA ILE A 54 0.637 4.003 2.096 1.00 0.00 H new ATOM 0 HB ILE A 54 2.818 2.033 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.269 3.151 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.283 4.038 1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.774 0.640 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.640 0.913 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.485 1.858 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.652 2.652 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.824 2.090 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.794 1.190 0.146 1.00 0.00 H new ATOM 831 N LEU A 55 1.122 2.467 5.005 1.00 0.00 N ATOM 832 CA LEU A 55 0.483 1.735 6.089 1.00 0.00 C ATOM 833 C LEU A 55 -0.546 2.626 6.773 1.00 0.00 C ATOM 834 O LEU A 55 -1.665 2.190 7.042 1.00 0.00 O ATOM 835 CB LEU A 55 1.524 1.251 7.102 1.00 0.00 C ATOM 836 CG LEU A 55 2.594 0.289 6.560 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.845 0.468 7.428 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.166 -1.184 6.554 1.00 0.00 C ATOM 0 H LEU A 55 2.122 2.608 5.151 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.019 0.861 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.026 2.123 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.002 0.758 7.922 1.00 0.00 H new ATOM 0 HG LEU A 55 2.776 0.538 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.631 -0.199 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.189 1.500 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.606 0.231 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.976 -1.797 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.936 -1.500 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.281 -1.303 5.929 1.00 0.00 H new ATOM 850 N LYS A 56 -0.188 3.890 7.001 1.00 0.00 N ATOM 851 CA LYS A 56 -1.048 4.883 7.627 1.00 0.00 C ATOM 852 C LYS A 56 -2.315 5.119 6.799 1.00 0.00 C ATOM 853 O LYS A 56 -3.307 5.609 7.346 1.00 0.00 O ATOM 854 CB LYS A 56 -0.258 6.196 7.809 1.00 0.00 C ATOM 855 CG LYS A 56 0.980 6.060 8.718 1.00 0.00 C ATOM 856 CD LYS A 56 0.655 6.026 10.204 1.00 0.00 C ATOM 857 CE LYS A 56 1.891 5.529 10.965 1.00 0.00 C ATOM 858 NZ LYS A 56 1.657 5.619 12.416 1.00 0.00 N ATOM 0 H LYS A 56 0.730 4.256 6.748 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.364 4.514 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.060 6.556 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.922 6.953 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.515 5.148 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.655 6.894 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.371 7.019 10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.194 5.368 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.110 4.498 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.761 6.125 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.498 5.281 12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.469 6.608 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.838 5.032 12.673 1.00 0.00 H new ATOM 872 N ARG A 57 -2.327 4.771 5.502 1.00 0.00 N ATOM 873 CA ARG A 57 -3.494 4.932 4.651 1.00 0.00 C ATOM 874 C ARG A 57 -4.630 4.028 5.102 1.00 0.00 C ATOM 875 O ARG A 57 -5.790 4.332 4.827 1.00 0.00 O ATOM 876 CB ARG A 57 -3.086 4.634 3.191 1.00 0.00 C ATOM 877 CG ARG A 57 -3.904 5.417 2.160 1.00 0.00 C ATOM 878 CD ARG A 57 -3.776 6.930 2.311 1.00 0.00 C ATOM 879 NE ARG A 57 -2.369 7.355 2.479 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.876 8.584 2.305 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.671 9.615 2.054 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.560 8.761 2.374 1.00 0.00 N ATOM 0 H ARG A 57 -1.521 4.370 5.023 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.859 5.957 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.030 4.870 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.200 3.567 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.583 5.130 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.954 5.137 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.200 7.419 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.359 7.259 3.171 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.705 6.633 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.680 9.478 1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.274 10.546 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.053 7.966 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.163 9.692 2.244 1.00 0.00 H new ATOM 896 N LEU A 58 -4.329 2.884 5.722 1.00 0.00 N ATOM 897 CA LEU A 58 -5.347 1.936 6.168 1.00 0.00 C ATOM 898 C LEU A 58 -6.168 2.573 7.285 1.00 0.00 C ATOM 899 O LEU A 58 -7.387 2.405 7.341 1.00 0.00 O ATOM 900 CB LEU A 58 -4.706 0.619 6.641 1.00 0.00 C ATOM 901 CG LEU A 58 -4.221 -0.350 5.539 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.362 -0.809 4.632 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.092 0.190 4.661 1.00 0.00 C ATOM 0 H LEU A 58 -3.374 2.591 5.928 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.003 1.696 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.856 0.863 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.429 0.092 7.263 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.822 -1.193 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.973 -1.488 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.116 -1.324 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.812 0.057 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.819 -0.559 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.425 1.097 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.225 0.418 5.282 1.00 0.00 H new ATOM 915 N ASP A 59 -5.490 3.337 8.140 1.00 0.00 N ATOM 916 CA ASP A 59 -6.028 3.970 9.336 1.00 0.00 C ATOM 917 C ASP A 59 -7.028 5.090 9.033 1.00 0.00 C ATOM 918 O ASP A 59 -7.694 5.584 9.947 1.00 0.00 O ATOM 919 CB ASP A 59 -4.849 4.552 10.126 1.00 0.00 C ATOM 920 CG ASP A 59 -5.099 4.540 11.630 1.00 0.00 C ATOM 921 OD1 ASP A 59 -4.988 3.446 12.241 1.00 0.00 O ATOM 922 OD2 ASP A 59 -5.277 5.626 12.222 1.00 0.00 O ATOM 0 H ASP A 59 -4.499 3.540 8.007 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.572 3.213 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.948 3.979 9.905 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.665 5.575 9.799 1.00 0.00 H new ATOM 927 N ASN A 60 -7.090 5.551 7.779 1.00 0.00 N ATOM 928 CA ASN A 60 -7.886 6.709 7.388 1.00 0.00 C ATOM 929 C ASN A 60 -9.341 6.318 7.112 1.00 0.00 C ATOM 930 O ASN A 60 -9.614 5.211 6.643 1.00 0.00 O ATOM 931 CB ASN A 60 -7.285 7.366 6.143 1.00 0.00 C ATOM 932 CG ASN A 60 -7.883 8.754 6.005 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.961 8.931 5.450 1.00 0.00 O ATOM 934 ND2 ASN A 60 -7.266 9.737 6.634 1.00 0.00 N ATOM 0 H ASN A 60 -6.583 5.124 7.004 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.873 7.417 8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.200 7.426 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.500 6.769 5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.686 10.666 6.665 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.369 9.568 7.089 1.00 0.00 H new ATOM 941 N LYS A 61 -10.300 7.208 7.384 1.00 0.00 N ATOM 942 CA LYS A 61 -11.719 6.954 7.150 1.00 0.00 C ATOM 943 C LYS A 61 -12.123 7.287 5.712 1.00 0.00 C ATOM 944 O LYS A 61 -12.316 8.448 5.379 1.00 0.00 O ATOM 945 CB LYS A 61 -12.579 7.720 8.163 1.00 0.00 C ATOM 946 CG LYS A 61 -12.484 7.103 9.561 1.00 0.00 C ATOM 947 CD LYS A 61 -13.508 7.753 10.493 1.00 0.00 C ATOM 948 CE LYS A 61 -13.498 7.017 11.831 1.00 0.00 C ATOM 949 NZ LYS A 61 -14.475 7.575 12.779 1.00 0.00 N ATOM 0 H LYS A 61 -10.109 8.130 7.775 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.895 5.888 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.258 8.761 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.618 7.719 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.661 6.029 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.479 7.240 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.268 8.806 10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.502 7.712 10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.717 5.962 11.665 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.500 7.071 12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.433 7.045 13.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.252 8.575 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.431 7.500 12.377 1.00 0.00 H new ATOM 963 N SER A 62 -12.293 6.254 4.891 1.00 0.00 N ATOM 964 CA SER A 62 -12.802 6.233 3.517 1.00 0.00 C ATOM 965 C SER A 62 -12.600 4.799 3.046 1.00 0.00 C ATOM 966 O SER A 62 -11.586 4.173 3.388 1.00 0.00 O ATOM 967 CB SER A 62 -12.081 7.267 2.633 1.00 0.00 C ATOM 968 OG SER A 62 -12.395 7.110 1.262 1.00 0.00 O ATOM 0 H SER A 62 -12.054 5.312 5.201 1.00 0.00 H new ATOM 0 HA SER A 62 -13.853 6.516 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.356 8.272 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.004 7.172 2.770 1.00 0.00 H new ATOM 0 HG SER A 62 -11.918 7.787 0.738 1.00 0.00 H new ATOM 974 N PRO A 63 -13.534 4.235 2.266 1.00 0.00 N ATOM 975 CA PRO A 63 -13.264 2.981 1.604 1.00 0.00 C ATOM 976 C PRO A 63 -12.253 3.195 0.464 1.00 0.00 C ATOM 977 O PRO A 63 -11.409 2.337 0.213 1.00 0.00 O ATOM 978 CB PRO A 63 -14.641 2.490 1.159 1.00 0.00 C ATOM 979 CG PRO A 63 -15.445 3.767 0.893 1.00 0.00 C ATOM 980 CD PRO A 63 -14.787 4.816 1.790 1.00 0.00 C ATOM 0 HA PRO A 63 -12.791 2.227 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.570 1.873 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.111 1.880 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.399 4.055 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.498 3.634 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.601 5.737 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.437 5.073 2.627 1.00 0.00 H new ATOM 988 N ILE A 64 -12.306 4.347 -0.208 1.00 0.00 N ATOM 989 CA ILE A 64 -11.554 4.637 -1.423 1.00 0.00 C ATOM 990 C ILE A 64 -10.084 4.796 -1.077 1.00 0.00 C ATOM 991 O ILE A 64 -9.240 4.131 -1.679 1.00 0.00 O ATOM 992 CB ILE A 64 -12.114 5.914 -2.074 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.608 5.760 -2.436 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.331 6.266 -3.339 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.410 7.014 -2.102 1.00 0.00 C ATOM 0 H ILE A 64 -12.893 5.126 0.091 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.653 3.817 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.010 6.715 -1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.702 5.542 -3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.025 4.909 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.744 7.172 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.284 6.431 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.406 5.446 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.455 6.861 -2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.339 7.218 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.011 7.861 -2.660 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.789 5.629 -0.070 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.434 5.825 0.429 1.00 0.00 C ATOM 1009 C VAL A 65 -7.802 4.467 0.745 1.00 0.00 C ATOM 1010 O VAL A 65 -6.591 4.285 0.593 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.478 6.757 1.671 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.692 6.025 3.006 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.236 7.627 1.775 1.00 0.00 C ATOM 0 H VAL A 65 -10.491 6.185 0.419 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.813 6.305 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.355 7.382 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.710 6.750 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.640 5.487 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.878 5.318 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.310 8.262 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.353 6.993 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.153 8.251 0.885 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.620 3.514 1.218 1.00 0.00 N ATOM 1024 CA LYS A 66 -8.094 2.226 1.598 1.00 0.00 C ATOM 1025 C LYS A 66 -7.765 1.456 0.339 1.00 0.00 C ATOM 1026 O LYS A 66 -6.614 1.083 0.130 1.00 0.00 O ATOM 1027 CB LYS A 66 -9.015 1.431 2.537 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.528 1.612 3.978 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.392 0.903 5.008 1.00 0.00 C ATOM 1030 CE LYS A 66 -10.770 1.521 5.220 1.00 0.00 C ATOM 1031 NZ LYS A 66 -10.646 2.877 5.787 1.00 0.00 N ATOM 0 H LYS A 66 -9.627 3.622 1.339 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.190 2.388 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.043 1.779 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.009 0.375 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.506 1.241 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.499 2.676 4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.518 -0.136 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.863 0.893 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.305 1.565 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.358 0.893 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.228 2.949 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.651 3.064 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.972 3.576 5.089 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.781 1.188 -0.482 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.642 0.314 -1.635 1.00 0.00 C ATOM 1047 C GLN A 67 -7.503 0.794 -2.549 1.00 0.00 C ATOM 1048 O GLN A 67 -6.698 -0.020 -3.011 1.00 0.00 O ATOM 1049 CB GLN A 67 -10.017 0.154 -2.315 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.103 -1.125 -3.163 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.313 -1.087 -4.468 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -8.996 -0.029 -5.002 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.994 -2.245 -5.012 1.00 0.00 N ATOM 0 H GLN A 67 -9.718 1.572 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.337 -0.689 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.797 0.135 -1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.210 1.020 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.748 -1.964 -2.565 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.150 -1.320 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.265 -3.115 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.476 -2.270 -5.890 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.358 2.113 -2.716 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.264 2.704 -3.475 1.00 0.00 C ATOM 1064 C LYS A 68 -4.876 2.308 -2.954 1.00 0.00 C ATOM 1065 O LYS A 68 -4.007 2.049 -3.793 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.436 4.228 -3.542 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.429 4.661 -4.636 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.415 6.179 -4.868 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.217 6.526 -6.132 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.292 7.973 -6.434 1.00 0.00 N ATOM 0 H LYS A 68 -8.003 2.799 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.315 2.297 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.782 4.594 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.468 4.692 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.185 4.151 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.435 4.348 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.841 6.691 -4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.388 6.530 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.769 6.013 -6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.230 6.138 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.864 8.120 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.732 8.472 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.333 8.345 -6.590 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.616 2.259 -1.637 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.319 1.786 -1.154 1.00 0.00 C ATOM 1086 C ALA A 69 -3.164 0.292 -1.437 1.00 0.00 C ATOM 1087 O ALA A 69 -2.087 -0.144 -1.827 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.141 2.038 0.345 1.00 0.00 C ATOM 0 H ALA A 69 -5.273 2.535 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.551 2.348 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.165 1.672 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.210 3.107 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.922 1.515 0.897 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.221 -0.500 -1.252 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.158 -1.958 -1.342 1.00 0.00 C ATOM 1096 C LEU A 70 -3.598 -2.410 -2.693 1.00 0.00 C ATOM 1097 O LEU A 70 -2.596 -3.124 -2.740 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.531 -2.577 -1.051 1.00 0.00 C ATOM 1099 CG LEU A 70 -6.073 -2.280 0.355 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.541 -2.702 0.461 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.223 -2.941 1.442 1.00 0.00 C ATOM 0 H LEU A 70 -5.152 -0.144 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.467 -2.318 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.245 -2.210 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.465 -3.657 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.013 -1.204 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.910 -2.485 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.132 -2.151 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.627 -3.771 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.639 -2.707 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.222 -4.021 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.201 -2.566 1.383 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.185 -1.947 -3.804 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.695 -2.312 -5.139 1.00 0.00 C ATOM 1115 C ARG A 71 -2.292 -1.782 -5.456 1.00 0.00 C ATOM 1116 O ARG A 71 -1.702 -2.212 -6.445 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.678 -1.865 -6.230 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.828 -0.334 -6.347 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.652 0.059 -7.575 1.00 0.00 C ATOM 1120 NE ARG A 71 -4.998 -0.344 -8.836 1.00 0.00 N ATOM 1121 CZ ARG A 71 -5.535 -0.287 -10.058 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -6.795 0.099 -10.225 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -4.794 -0.630 -11.105 1.00 0.00 N ATOM 0 H ARG A 71 -4.993 -1.324 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.623 -3.400 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.346 -2.262 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.656 -2.301 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.306 0.055 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.841 0.125 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.637 -0.405 -7.514 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.807 1.138 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.045 -0.700 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.361 0.355 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.196 0.139 -11.162 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.829 -0.932 -10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.190 -0.592 -12.044 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.790 -0.813 -4.689 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.445 -0.264 -4.804 1.00 0.00 C ATOM 1139 C LEU A 72 0.541 -1.126 -4.014 1.00 0.00 C ATOM 1140 O LEU A 72 1.656 -1.305 -4.496 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.477 1.211 -4.347 1.00 0.00 C ATOM 1142 CG LEU A 72 0.862 1.825 -3.897 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.841 2.043 -5.056 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.580 3.159 -3.200 1.00 0.00 C ATOM 0 H LEU A 72 -2.332 -0.375 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.098 -0.281 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.869 1.813 -5.167 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.185 1.296 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 72 1.338 1.119 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.765 2.478 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.059 1.087 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.396 2.719 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.520 3.606 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.078 3.833 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.059 2.989 -2.334 1.00 0.00 H new ATOM 1156 N ILE A 73 0.144 -1.660 -2.850 1.00 0.00 N ATOM 1157 CA ILE A 73 1.021 -2.412 -1.952 1.00 0.00 C ATOM 1158 C ILE A 73 1.491 -3.618 -2.726 1.00 0.00 C ATOM 1159 O ILE A 73 2.622 -3.666 -3.183 1.00 0.00 O ATOM 1160 CB ILE A 73 0.331 -2.777 -0.619 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.122 -1.520 0.238 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.190 -3.774 0.191 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -1.015 -1.686 1.244 1.00 0.00 C ATOM 0 H ILE A 73 -0.812 -1.578 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 73 1.874 -1.806 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.630 -3.231 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.044 -1.289 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.092 -0.671 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.683 -4.016 1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.335 -4.685 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.159 -3.325 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.123 -0.770 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.944 -1.890 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.790 -2.517 1.913 1.00 0.00 H new ATOM 1175 N LYS A 74 0.591 -4.561 -2.952 1.00 0.00 N ATOM 1176 CA LYS A 74 0.856 -5.770 -3.708 1.00 0.00 C ATOM 1177 C LYS A 74 1.461 -5.554 -5.090 1.00 0.00 C ATOM 1178 O LYS A 74 1.917 -6.524 -5.685 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.433 -6.573 -3.825 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.575 -5.858 -4.581 1.00 0.00 C ATOM 1181 CD LYS A 74 -2.089 -6.826 -5.654 1.00 0.00 C ATOM 1182 CE LYS A 74 -3.035 -6.213 -6.684 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.286 -7.178 -7.778 1.00 0.00 N ATOM 0 H LYS A 74 -0.367 -4.504 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 74 1.620 -6.311 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.214 -7.513 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.781 -6.824 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.377 -5.584 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.215 -4.935 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.233 -7.250 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.601 -7.652 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.976 -5.938 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.603 -5.297 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.931 -6.753 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.387 -7.420 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.717 -8.040 -7.388 1.00 0.00 H new ATOM 1197 N TYR A 75 1.401 -4.346 -5.648 1.00 0.00 N ATOM 1198 CA TYR A 75 2.082 -4.054 -6.889 1.00 0.00 C ATOM 1199 C TYR A 75 3.575 -3.848 -6.608 1.00 0.00 C ATOM 1200 O TYR A 75 4.398 -4.523 -7.217 1.00 0.00 O ATOM 1201 CB TYR A 75 1.390 -2.882 -7.605 1.00 0.00 C ATOM 1202 CG TYR A 75 2.012 -2.445 -8.920 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.533 -3.405 -9.814 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.004 -1.084 -9.294 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.036 -3.015 -11.064 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.513 -0.691 -10.542 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.019 -1.655 -11.434 1.00 0.00 C ATOM 1208 OH TYR A 75 3.442 -1.262 -12.658 1.00 0.00 O ATOM 0 H TYR A 75 0.885 -3.560 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 75 2.018 -4.891 -7.584 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.352 -3.157 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.377 -2.026 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.544 -4.448 -9.533 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.605 -0.342 -8.618 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.435 -3.755 -11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.516 0.353 -10.818 1.00 0.00 H new ATOM 0 HH TYR A 75 3.277 -1.978 -13.306 1.00 0.00 H new ATOM 1218 N ALA A 76 3.935 -2.936 -5.697 1.00 0.00 N ATOM 1219 CA ALA A 76 5.326 -2.651 -5.340 1.00 0.00 C ATOM 1220 C ALA A 76 5.982 -3.793 -4.540 1.00 0.00 C ATOM 1221 O ALA A 76 7.179 -4.054 -4.688 1.00 0.00 O ATOM 1222 CB ALA A 76 5.352 -1.362 -4.512 1.00 0.00 C ATOM 0 H ALA A 76 3.260 -2.370 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 76 5.899 -2.544 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.380 -1.129 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.941 -0.543 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.754 -1.496 -3.611 1.00 0.00 H new ATOM 1228 N VAL A 77 5.215 -4.452 -3.669 1.00 0.00 N ATOM 1229 CA VAL A 77 5.587 -5.676 -2.983 1.00 0.00 C ATOM 1230 C VAL A 77 5.797 -6.724 -4.074 1.00 0.00 C ATOM 1231 O VAL A 77 4.890 -7.056 -4.834 1.00 0.00 O ATOM 1232 CB VAL A 77 4.524 -6.120 -1.967 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.023 -7.344 -1.203 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.242 -5.105 -0.867 1.00 0.00 C ATOM 0 H VAL A 77 4.281 -4.128 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 77 6.493 -5.528 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 77 3.630 -6.285 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.267 -7.657 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.215 -8.157 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.944 -7.094 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.480 -5.499 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.157 -4.913 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.887 -4.175 -1.312 1.00 0.00 H new ATOM 1244 N GLY A 78 7.014 -7.227 -4.148 1.00 0.00 N ATOM 1245 CA GLY A 78 7.506 -8.157 -5.156 1.00 0.00 C ATOM 1246 C GLY A 78 8.485 -7.507 -6.138 1.00 0.00 C ATOM 1247 O GLY A 78 9.083 -8.216 -6.945 1.00 0.00 O ATOM 0 H GLY A 78 7.733 -6.985 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.998 -8.995 -4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.661 -8.565 -5.710 1.00 0.00 H new ATOM 1251 N LYS A 79 8.680 -6.180 -6.092 1.00 0.00 N ATOM 1252 CA LYS A 79 9.502 -5.439 -7.063 1.00 0.00 C ATOM 1253 C LYS A 79 10.671 -4.721 -6.411 1.00 0.00 C ATOM 1254 O LYS A 79 11.797 -4.780 -6.903 1.00 0.00 O ATOM 1255 CB LYS A 79 8.653 -4.390 -7.791 1.00 0.00 C ATOM 1256 CG LYS A 79 7.506 -4.984 -8.595 1.00 0.00 C ATOM 1257 CD LYS A 79 6.790 -3.883 -9.396 1.00 0.00 C ATOM 1258 CE LYS A 79 6.192 -4.409 -10.700 1.00 0.00 C ATOM 1259 NZ LYS A 79 7.228 -4.580 -11.739 1.00 0.00 N ATOM 0 H LYS A 79 8.268 -5.585 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 79 9.891 -6.181 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.248 -3.691 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.295 -3.816 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.886 -5.748 -9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.799 -5.474 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.998 -3.449 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.495 -3.083 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.698 -5.363 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.428 -3.718 -11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.789 -4.938 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.682 -3.664 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.943 -5.258 -11.408 1.00 0.00 H new ATOM 1273 N SER A 80 10.377 -4.036 -5.309 1.00 0.00 N ATOM 1274 CA SER A 80 11.179 -3.017 -4.656 1.00 0.00 C ATOM 1275 C SER A 80 12.649 -3.389 -4.425 1.00 0.00 C ATOM 1276 O SER A 80 13.526 -2.530 -4.450 1.00 0.00 O ATOM 1277 CB SER A 80 10.444 -2.763 -3.338 1.00 0.00 C ATOM 1278 OG SER A 80 10.417 -3.944 -2.547 1.00 0.00 O ATOM 0 H SER A 80 9.500 -4.196 -4.813 1.00 0.00 H new ATOM 0 HA SER A 80 11.263 -2.136 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.937 -1.961 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.426 -2.431 -3.541 1.00 0.00 H new ATOM 0 HG SER A 80 11.323 -4.151 -2.237 1.00 0.00 H new ATOM 1284 N GLY A 81 12.922 -4.662 -4.139 1.00 0.00 N ATOM 1285 CA GLY A 81 14.106 -5.095 -3.421 1.00 0.00 C ATOM 1286 C GLY A 81 13.701 -5.531 -2.017 1.00 0.00 C ATOM 1287 O GLY A 81 12.551 -5.366 -1.596 1.00 0.00 O ATOM 0 H GLY A 81 12.309 -5.432 -4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.586 -5.920 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.833 -4.284 -3.369 1.00 0.00 H new ATOM 1291 N SER A 82 14.645 -6.136 -1.312 1.00 0.00 N ATOM 1292 CA SER A 82 14.373 -6.979 -0.163 1.00 0.00 C ATOM 1293 C SER A 82 14.017 -6.220 1.115 1.00 0.00 C ATOM 1294 O SER A 82 13.551 -6.849 2.063 1.00 0.00 O ATOM 1295 CB SER A 82 15.609 -7.850 0.038 1.00 0.00 C ATOM 1296 OG SER A 82 15.855 -8.588 -1.144 1.00 0.00 O ATOM 0 H SER A 82 15.638 -6.052 -1.528 1.00 0.00 H new ATOM 0 HA SER A 82 13.481 -7.570 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.471 -7.228 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.459 -8.527 0.879 1.00 0.00 H new ATOM 0 HG SER A 82 16.650 -9.148 -1.020 1.00 0.00 H new ATOM 1302 N GLU A 83 14.175 -4.900 1.158 1.00 0.00 N ATOM 1303 CA GLU A 83 13.971 -4.092 2.353 1.00 0.00 C ATOM 1304 C GLU A 83 12.480 -3.812 2.528 1.00 0.00 C ATOM 1305 O GLU A 83 11.888 -4.207 3.535 1.00 0.00 O ATOM 1306 CB GLU A 83 14.798 -2.800 2.255 1.00 0.00 C ATOM 1307 CG GLU A 83 16.316 -3.016 2.403 1.00 0.00 C ATOM 1308 CD GLU A 83 16.905 -4.043 1.422 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.776 -3.825 0.194 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.443 -5.084 1.881 1.00 0.00 O ATOM 0 H GLU A 83 14.455 -4.352 0.344 1.00 0.00 H new ATOM 0 HA GLU A 83 14.314 -4.631 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.601 -2.326 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.463 -2.107 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.823 -2.062 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.528 -3.340 3.422 1.00 0.00 H new ATOM 1317 N PHE A 84 11.858 -3.170 1.534 1.00 0.00 N ATOM 1318 CA PHE A 84 10.461 -2.748 1.591 1.00 0.00 C ATOM 1319 C PHE A 84 9.510 -3.914 1.836 1.00 0.00 C ATOM 1320 O PHE A 84 8.510 -3.735 2.539 1.00 0.00 O ATOM 1321 CB PHE A 84 10.106 -2.007 0.297 1.00 0.00 C ATOM 1322 CG PHE A 84 8.621 -1.753 0.116 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.010 -0.665 0.765 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.835 -2.645 -0.641 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.617 -0.492 0.689 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.451 -2.459 -0.726 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.830 -1.406 -0.034 1.00 0.00 C ATOM 0 H PHE A 84 12.319 -2.927 0.657 1.00 0.00 H new ATOM 0 HA PHE A 84 10.342 -2.077 2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.631 -1.052 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.471 -2.585 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.611 0.038 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.301 -3.472 -1.156 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.150 0.345 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.856 -3.130 -1.328 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.756 -1.299 -0.057 1.00 0.00 H new ATOM 1337 N ARG A 85 9.795 -5.105 1.285 1.00 0.00 N ATOM 1338 CA ARG A 85 8.875 -6.229 1.465 1.00 0.00 C ATOM 1339 C ARG A 85 8.727 -6.532 2.955 1.00 0.00 C ATOM 1340 O ARG A 85 7.627 -6.803 3.427 1.00 0.00 O ATOM 1341 CB ARG A 85 9.268 -7.481 0.651 1.00 0.00 C ATOM 1342 CG ARG A 85 10.646 -8.068 0.979 1.00 0.00 C ATOM 1343 CD ARG A 85 11.086 -9.250 0.105 1.00 0.00 C ATOM 1344 NE ARG A 85 10.409 -10.527 0.416 1.00 0.00 N ATOM 1345 CZ ARG A 85 11.040 -11.710 0.533 1.00 0.00 C ATOM 1346 NH1 ARG A 85 12.304 -11.862 0.151 1.00 0.00 N ATOM 1347 NH2 ARG A 85 10.415 -12.757 1.057 1.00 0.00 N ATOM 0 H ARG A 85 10.627 -5.307 0.730 1.00 0.00 H new ATOM 0 HA ARG A 85 7.906 -5.932 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.515 -8.252 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.242 -7.228 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.390 -7.276 0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.646 -8.389 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.902 -9.001 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.162 -9.387 0.216 1.00 0.00 H new ATOM 0 HE ARG A 85 9.398 -10.510 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.817 -11.072 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.761 -12.769 0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.450 -12.668 1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.900 -13.650 1.142 1.00 0.00 H new ATOM 1361 N ARG A 86 9.830 -6.475 3.709 1.00 0.00 N ATOM 1362 CA ARG A 86 9.826 -6.792 5.131 1.00 0.00 C ATOM 1363 C ARG A 86 9.060 -5.744 5.914 1.00 0.00 C ATOM 1364 O ARG A 86 8.406 -6.122 6.882 1.00 0.00 O ATOM 1365 CB ARG A 86 11.260 -6.911 5.673 1.00 0.00 C ATOM 1366 CG ARG A 86 12.110 -7.958 4.943 1.00 0.00 C ATOM 1367 CD ARG A 86 11.462 -9.350 4.912 1.00 0.00 C ATOM 1368 NE ARG A 86 12.420 -10.456 5.072 1.00 0.00 N ATOM 1369 CZ ARG A 86 13.111 -10.796 6.170 1.00 0.00 C ATOM 1370 NH1 ARG A 86 13.118 -10.004 7.243 1.00 0.00 N ATOM 1371 NH2 ARG A 86 13.783 -11.938 6.169 1.00 0.00 N ATOM 0 H ARG A 86 10.745 -6.208 3.347 1.00 0.00 H new ATOM 0 HA ARG A 86 9.328 -7.754 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.750 -5.940 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.219 -7.164 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.287 -7.624 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 86 13.084 -8.028 5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.716 -9.411 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.934 -9.473 3.967 1.00 0.00 H new ATOM 0 HE ARG A 86 12.578 -11.035 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.594 -9.129 7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.647 -10.273 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.768 -12.538 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.316 -12.217 6.993 1.00 0.00 H new ATOM 1385 N GLU A 87 9.108 -4.476 5.513 1.00 0.00 N ATOM 1386 CA GLU A 87 8.436 -3.377 6.207 1.00 0.00 C ATOM 1387 C GLU A 87 6.920 -3.553 6.180 1.00 0.00 C ATOM 1388 O GLU A 87 6.254 -3.373 7.201 1.00 0.00 O ATOM 1389 CB GLU A 87 8.852 -2.044 5.566 1.00 0.00 C ATOM 1390 CG GLU A 87 9.177 -0.944 6.590 1.00 0.00 C ATOM 1391 CD GLU A 87 10.407 -1.251 7.450 1.00 0.00 C ATOM 1392 OE1 GLU A 87 10.901 -2.399 7.474 1.00 0.00 O ATOM 1393 OE2 GLU A 87 10.838 -0.386 8.239 1.00 0.00 O ATOM 0 H GLU A 87 9.622 -4.177 4.684 1.00 0.00 H new ATOM 0 HA GLU A 87 8.739 -3.378 7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.725 -2.211 4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.049 -1.697 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.338 -0.004 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.315 -0.800 7.242 1.00 0.00 H new ATOM 1400 N MET A 88 6.390 -3.963 5.025 1.00 0.00 N ATOM 1401 CA MET A 88 4.980 -4.290 4.864 1.00 0.00 C ATOM 1402 C MET A 88 4.580 -5.403 5.836 1.00 0.00 C ATOM 1403 O MET A 88 3.516 -5.317 6.442 1.00 0.00 O ATOM 1404 CB MET A 88 4.699 -4.652 3.399 1.00 0.00 C ATOM 1405 CG MET A 88 4.789 -3.420 2.493 1.00 0.00 C ATOM 1406 SD MET A 88 3.401 -2.263 2.632 1.00 0.00 S ATOM 1407 CE MET A 88 4.190 -0.907 3.528 1.00 0.00 C ATOM 0 H MET A 88 6.936 -4.077 4.171 1.00 0.00 H new ATOM 0 HA MET A 88 4.365 -3.424 5.109 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.413 -5.404 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.707 -5.095 3.316 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.711 -2.886 2.722 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.862 -3.754 1.458 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.557 -0.021 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.332 -1.194 4.570 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.158 -0.687 3.077 1.00 0.00 H new ATOM 1417 N GLN A 89 5.435 -6.412 6.051 1.00 0.00 N ATOM 1418 CA GLN A 89 5.196 -7.452 7.049 1.00 0.00 C ATOM 1419 C GLN A 89 5.193 -6.856 8.458 1.00 0.00 C ATOM 1420 O GLN A 89 4.315 -7.200 9.245 1.00 0.00 O ATOM 1421 CB GLN A 89 6.249 -8.564 6.965 1.00 0.00 C ATOM 1422 CG GLN A 89 6.428 -9.192 5.584 1.00 0.00 C ATOM 1423 CD GLN A 89 7.650 -10.096 5.533 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.459 -10.153 6.464 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.815 -10.823 4.452 1.00 0.00 N ATOM 0 H GLN A 89 6.309 -6.526 5.537 1.00 0.00 H new ATOM 0 HA GLN A 89 4.219 -7.886 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.208 -8.159 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.981 -9.350 7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.538 -9.767 5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.526 -8.405 4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.139 -10.766 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.620 -11.445 4.374 1.00 0.00 H new ATOM 1434 N ARG A 90 6.144 -5.970 8.812 1.00 0.00 N ATOM 1435 CA ARG A 90 6.254 -5.439 10.184 1.00 0.00 C ATOM 1436 C ARG A 90 4.917 -4.870 10.654 1.00 0.00 C ATOM 1437 O ARG A 90 4.495 -5.121 11.784 1.00 0.00 O ATOM 1438 CB ARG A 90 7.374 -4.390 10.356 1.00 0.00 C ATOM 1439 CG ARG A 90 8.768 -4.882 9.930 1.00 0.00 C ATOM 1440 CD ARG A 90 9.967 -4.094 10.481 1.00 0.00 C ATOM 1441 NE ARG A 90 9.934 -2.651 10.196 1.00 0.00 N ATOM 1442 CZ ARG A 90 9.452 -1.687 10.992 1.00 0.00 C ATOM 1443 NH1 ARG A 90 8.892 -1.984 12.158 1.00 0.00 N ATOM 1444 NH2 ARG A 90 9.512 -0.422 10.608 1.00 0.00 N ATOM 0 H ARG A 90 6.846 -5.607 8.167 1.00 0.00 H new ATOM 0 HA ARG A 90 6.530 -6.287 10.810 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.120 -3.504 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.413 -4.084 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.872 -5.922 10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.819 -4.865 8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.014 -4.237 11.561 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.883 -4.513 10.064 1.00 0.00 H new ATOM 0 HE ARG A 90 10.318 -2.353 9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.824 -2.956 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.529 -1.240 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.925 -0.182 9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.145 0.313 11.213 1.00 0.00 H new ATOM 1458 N ASN A 91 4.222 -4.157 9.769 1.00 0.00 N ATOM 1459 CA ASN A 91 3.001 -3.422 10.078 1.00 0.00 C ATOM 1460 C ASN A 91 1.765 -4.038 9.401 1.00 0.00 C ATOM 1461 O ASN A 91 0.733 -3.378 9.281 1.00 0.00 O ATOM 1462 CB ASN A 91 3.221 -1.943 9.730 1.00 0.00 C ATOM 1463 CG ASN A 91 4.196 -1.264 10.683 1.00 0.00 C ATOM 1464 OD1 ASN A 91 3.954 -1.201 11.881 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.310 -0.748 10.189 1.00 0.00 N ATOM 0 H ASN A 91 4.502 -4.074 8.792 1.00 0.00 H new ATOM 0 HA ASN A 91 2.786 -3.493 11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.598 -1.864 8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.265 -1.419 9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.979 -0.291 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.500 -0.807 9.189 1.00 0.00 H new ATOM 1472 N SER A 92 1.829 -5.301 8.956 1.00 0.00 N ATOM 1473 CA SER A 92 0.801 -5.935 8.125 1.00 0.00 C ATOM 1474 C SER A 92 -0.591 -5.980 8.763 1.00 0.00 C ATOM 1475 O SER A 92 -1.581 -6.120 8.043 1.00 0.00 O ATOM 1476 CB SER A 92 1.246 -7.357 7.764 1.00 0.00 C ATOM 1477 OG SER A 92 1.556 -8.105 8.929 1.00 0.00 O ATOM 0 H SER A 92 2.612 -5.920 9.168 1.00 0.00 H new ATOM 0 HA SER A 92 0.703 -5.312 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.455 -7.858 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.119 -7.314 7.112 1.00 0.00 H new ATOM 0 HG SER A 92 2.481 -7.925 9.197 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.686 -5.871 10.092 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.959 -5.872 10.803 1.00 0.00 C ATOM 1485 C VAL A 93 -2.848 -4.727 10.336 1.00 0.00 C ATOM 1486 O VAL A 93 -4.072 -4.836 10.393 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.708 -5.789 12.322 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.135 -4.444 12.788 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.946 -6.165 13.145 1.00 0.00 C ATOM 0 H VAL A 93 0.125 -5.779 10.704 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.481 -6.803 10.583 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.936 -6.536 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.987 -4.466 13.868 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.180 -4.265 12.294 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.831 -3.644 12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.713 -6.090 14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.764 -5.486 12.903 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.242 -7.187 12.910 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.251 -3.631 9.853 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.021 -2.500 9.395 1.00 0.00 C ATOM 1501 C ALA A 94 -3.912 -2.914 8.221 1.00 0.00 C ATOM 1502 O ALA A 94 -5.025 -2.423 8.083 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.078 -1.363 8.987 1.00 0.00 C ATOM 0 H ALA A 94 -1.240 -3.516 9.775 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.661 -2.147 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.664 -0.511 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.475 -1.065 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.424 -1.703 8.184 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.424 -3.819 7.372 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.145 -4.353 6.228 1.00 0.00 C ATOM 1511 C VAL A 95 -5.050 -5.497 6.697 1.00 0.00 C ATOM 1512 O VAL A 95 -6.229 -5.518 6.349 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.107 -4.785 5.171 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.746 -5.457 3.953 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.262 -3.592 4.690 1.00 0.00 C ATOM 0 H VAL A 95 -2.487 -4.209 7.469 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.796 -3.610 5.768 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.468 -5.513 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.968 -5.739 3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.288 -6.348 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.438 -4.763 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.542 -3.933 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.914 -2.840 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.731 -3.157 5.537 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.526 -6.441 7.493 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.275 -7.619 7.943 1.00 0.00 C ATOM 1527 C ARG A 96 -6.537 -7.238 8.700 1.00 0.00 C ATOM 1528 O ARG A 96 -7.570 -7.883 8.523 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.407 -8.525 8.824 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.389 -9.329 8.032 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.343 -10.063 8.875 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.915 -10.855 9.976 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.189 -11.619 10.801 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -0.948 -11.985 10.485 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -2.703 -12.003 11.959 1.00 0.00 N ATOM 0 H ARG A 96 -3.568 -6.407 7.842 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.565 -8.163 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.885 -7.914 9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.051 -9.209 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.921 -10.060 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.874 -8.657 7.345 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.766 -10.723 8.227 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.647 -9.334 9.289 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.924 -10.819 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.536 -11.683 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.409 -12.568 11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.647 -11.717 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.155 -12.585 12.592 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.480 -6.196 9.528 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.622 -5.763 10.325 1.00 0.00 C ATOM 1551 C ASN A 97 -8.820 -5.383 9.444 1.00 0.00 C ATOM 1552 O ASN A 97 -9.968 -5.506 9.860 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.206 -4.588 11.217 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.259 -4.337 12.285 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.122 -3.483 12.127 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.181 -5.064 13.383 1.00 0.00 N ATOM 0 H ASN A 97 -5.642 -5.631 9.664 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.940 -6.597 10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.246 -4.801 11.687 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.072 -3.692 10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.854 -4.924 14.136 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.448 -5.766 13.479 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.567 -4.942 8.208 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.583 -4.443 7.286 1.00 0.00 C ATOM 1565 C LEU A 98 -10.238 -5.524 6.433 1.00 0.00 C ATOM 1566 O LEU A 98 -11.158 -5.224 5.672 1.00 0.00 O ATOM 1567 CB LEU A 98 -8.978 -3.371 6.403 1.00 0.00 C ATOM 1568 CG LEU A 98 -9.065 -1.990 7.050 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -10.480 -1.412 7.129 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -8.387 -1.820 8.409 1.00 0.00 C ATOM 0 H LEU A 98 -7.626 -4.923 7.815 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.384 -4.030 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.935 -3.613 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.494 -3.356 5.443 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.478 -1.415 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.446 -0.431 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.891 -1.316 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.112 -2.077 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.522 -0.796 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.832 -2.509 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.322 -2.033 8.314 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.832 -6.779 6.612 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.488 -7.955 6.031 1.00 0.00 C ATOM 1584 C PHE A 99 -11.998 -7.978 6.311 1.00 0.00 C ATOM 1585 O PHE A 99 -12.743 -8.642 5.590 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.862 -9.246 6.581 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.594 -9.735 5.903 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.568 -8.849 5.517 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.430 -11.115 5.677 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.384 -9.344 4.947 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.252 -11.606 5.090 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.224 -10.723 4.739 1.00 0.00 C ATOM 0 H PHE A 99 -9.018 -7.015 7.179 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.340 -7.894 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.645 -9.095 7.638 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.608 -10.038 6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.693 -7.786 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.216 -11.801 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.594 -8.662 4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.139 -12.665 4.909 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.309 -11.102 4.309 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.476 -7.245 7.318 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.889 -7.113 7.634 1.00 0.00 C ATOM 1604 C HIS A 100 -14.231 -5.626 7.675 1.00 0.00 C ATOM 1605 O HIS A 100 -14.512 -5.058 8.734 1.00 0.00 O ATOM 1606 CB HIS A 100 -14.216 -7.902 8.911 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.663 -9.304 8.847 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -14.169 -10.334 8.087 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.445 -9.706 9.333 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.269 -11.325 8.109 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.202 -11.000 8.859 1.00 0.00 N ATOM 0 H HIS A 100 -11.873 -6.716 7.948 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.528 -7.555 6.869 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.802 -7.385 9.776 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.296 -7.941 9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.791 -9.127 9.968 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.385 -12.265 7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.383 -11.578 9.045 1.00 0.00 H new ATOM 1619 N TYR A 101 -14.164 -4.970 6.510 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.572 -3.581 6.361 1.00 0.00 C ATOM 1621 C TYR A 101 -15.980 -3.487 5.783 1.00 0.00 C ATOM 1622 O TYR A 101 -16.379 -4.282 4.925 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.589 -2.798 5.489 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.892 -1.312 5.557 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -13.693 -0.631 6.769 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.521 -0.646 4.492 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.123 0.693 6.930 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.953 0.686 4.646 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.759 1.364 5.869 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.165 2.650 6.060 1.00 0.00 O ATOM 0 H TYR A 101 -13.824 -5.394 5.647 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.572 -3.134 7.355 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.568 -2.984 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.654 -3.142 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.202 -1.135 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.674 -1.157 3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -13.966 1.200 7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -15.436 1.192 3.823 1.00 0.00 H new ATOM 0 HH TYR A 101 -15.587 2.985 5.241 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.735 -2.486 6.246 1.00 0.00 N ATOM 1641 CA LYS A 102 -18.128 -2.266 5.869 1.00 0.00 C ATOM 1642 C LYS A 102 -18.503 -0.786 5.920 1.00 0.00 C ATOM 1643 O LYS A 102 -19.039 -0.266 4.948 1.00 0.00 O ATOM 1644 CB LYS A 102 -19.033 -3.167 6.726 1.00 0.00 C ATOM 1645 CG LYS A 102 -19.008 -2.871 8.238 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.714 -3.953 9.060 1.00 0.00 C ATOM 1647 CE LYS A 102 -21.226 -3.963 8.803 1.00 0.00 C ATOM 1648 NZ LYS A 102 -21.882 -5.152 9.381 1.00 0.00 N ATOM 0 H LYS A 102 -16.384 -1.793 6.907 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.276 -2.551 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -20.058 -3.070 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.739 -4.205 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.974 -2.784 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.485 -1.909 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.296 -4.929 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.526 -3.785 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.671 -3.063 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.410 -3.934 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -22.902 -5.116 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -21.477 -6.012 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -21.729 -5.167 10.410 1.00 0.00 H new ATOM 1662 N GLY A 103 -18.142 -0.075 6.992 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.356 1.365 7.118 1.00 0.00 C ATOM 1664 C GLY A 103 -19.821 1.742 6.897 1.00 0.00 C ATOM 1665 O GLY A 103 -20.676 1.239 7.630 1.00 0.00 O ATOM 0 H GLY A 103 -17.688 -0.491 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.041 1.694 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.732 1.890 6.394 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.112 2.638 5.949 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.472 2.994 5.538 1.00 0.00 C ATOM 1671 C HIS A 104 -21.604 2.773 4.027 1.00 0.00 C ATOM 1672 O HIS A 104 -20.613 2.960 3.313 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.781 4.478 5.800 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.922 4.948 7.227 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.884 5.838 7.653 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.140 4.636 8.308 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.696 6.050 8.964 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.636 5.346 9.408 1.00 0.00 N ATOM 0 H HIS A 104 -19.392 3.147 5.435 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.161 2.374 6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -20.991 5.067 5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.708 4.720 5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.294 3.964 8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.308 6.694 9.578 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -21.267 5.333 10.359 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.804 2.455 3.516 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.058 2.391 2.090 1.00 0.00 C ATOM 1688 C PRO A 105 -23.075 3.798 1.487 1.00 0.00 C ATOM 1689 O PRO A 105 -23.165 4.814 2.185 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.423 1.717 1.942 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.144 2.167 3.214 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.028 2.229 4.259 1.00 0.00 C ATOM 0 HA PRO A 105 -22.282 1.834 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -24.943 2.044 1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.337 0.632 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.623 3.137 3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -25.925 1.463 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.206 3.033 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -23.974 1.302 4.829 1.00 0.00 H new ATOM 1700 N ASP A 106 -23.041 3.834 0.164 1.00 0.00 N ATOM 1701 CA ASP A 106 -22.929 5.025 -0.662 1.00 0.00 C ATOM 1702 C ASP A 106 -24.287 5.430 -1.235 1.00 0.00 C ATOM 1703 O ASP A 106 -25.156 4.563 -1.385 1.00 0.00 O ATOM 1704 CB ASP A 106 -22.007 4.693 -1.836 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.554 5.006 -1.519 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -19.855 4.107 -1.000 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -20.133 6.146 -1.791 1.00 0.00 O ATOM 0 H ASP A 106 -23.094 2.982 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 106 -22.545 5.843 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -22.105 3.637 -2.087 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.318 5.260 -2.714 1.00 0.00 H new ATOM 1712 N PRO A 107 -24.450 6.684 -1.702 1.00 0.00 N ATOM 1713 CA PRO A 107 -25.647 7.123 -2.417 1.00 0.00 C ATOM 1714 C PRO A 107 -25.905 6.282 -3.672 1.00 0.00 C ATOM 1715 O PRO A 107 -27.027 5.827 -3.897 1.00 0.00 O ATOM 1716 CB PRO A 107 -25.413 8.598 -2.768 1.00 0.00 C ATOM 1717 CG PRO A 107 -23.911 8.825 -2.605 1.00 0.00 C ATOM 1718 CD PRO A 107 -23.496 7.780 -1.576 1.00 0.00 C ATOM 0 HA PRO A 107 -26.536 6.999 -1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -25.734 8.814 -3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -25.982 9.253 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -23.381 8.690 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -23.694 9.836 -2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -22.479 7.434 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.513 8.197 -0.569 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.867 6.040 -4.475 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.968 5.380 -5.779 1.00 0.00 C ATOM 1728 C LEU A 108 -24.228 4.057 -5.819 1.00 0.00 C ATOM 1729 O LEU A 108 -24.692 3.133 -6.492 1.00 0.00 O ATOM 1730 CB LEU A 108 -24.530 6.295 -6.942 1.00 0.00 C ATOM 1731 CG LEU A 108 -23.432 7.341 -6.668 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -22.018 6.772 -6.628 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -23.505 8.445 -7.723 1.00 0.00 C ATOM 0 H LEU A 108 -23.912 6.303 -4.232 1.00 0.00 H new ATOM 0 HA LEU A 108 -26.027 5.165 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.187 5.658 -7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -25.413 6.824 -7.301 1.00 0.00 H new ATOM 0 HG LEU A 108 -23.630 7.732 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -21.308 7.575 -6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.949 6.024 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.785 6.310 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -22.729 9.185 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.356 8.013 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -24.483 8.925 -7.680 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.101 3.929 -5.113 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.322 2.697 -5.161 1.00 0.00 C ATOM 1747 C LYS A 109 -22.882 1.619 -4.226 1.00 0.00 C ATOM 1748 O LYS A 109 -22.397 0.490 -4.250 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.842 2.963 -4.855 1.00 0.00 C ATOM 1750 CG LYS A 109 -20.098 3.619 -6.020 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.723 2.700 -7.190 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.829 1.533 -6.749 1.00 0.00 C ATOM 1753 NZ LYS A 109 -18.020 1.000 -7.863 1.00 0.00 N ATOM 0 H LYS A 109 -22.715 4.655 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.401 2.316 -6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.768 3.605 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -20.354 2.021 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.715 4.431 -6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -19.184 4.070 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.632 2.307 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.208 3.281 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.168 1.866 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.450 0.736 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.432 0.214 -7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.650 0.658 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.408 1.752 -8.238 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.877 1.950 -3.399 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.399 1.064 -2.375 1.00 0.00 C ATOM 1769 C GLY A 110 -23.262 0.579 -1.486 1.00 0.00 C ATOM 1770 O GLY A 110 -22.450 1.379 -1.037 1.00 0.00 O ATOM 0 H GLY A 110 -24.344 2.856 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.145 1.586 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.900 0.213 -2.837 1.00 0.00 H new ATOM 1774 N ASP A 111 -23.180 -0.717 -1.230 1.00 0.00 N ATOM 1775 CA ASP A 111 -22.182 -1.342 -0.362 1.00 0.00 C ATOM 1776 C ASP A 111 -20.966 -1.876 -1.150 1.00 0.00 C ATOM 1777 O ASP A 111 -20.232 -2.729 -0.646 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.870 -2.399 0.526 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.515 -3.546 -0.251 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -24.470 -3.274 -1.020 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -23.128 -4.724 -0.084 1.00 0.00 O ATOM 0 H ASP A 111 -23.829 -1.392 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.756 -0.587 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -22.134 -2.811 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.634 -1.909 1.129 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.738 -1.415 -2.391 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.700 -1.959 -3.267 1.00 0.00 C ATOM 1788 C ALA A 112 -18.279 -1.540 -2.870 1.00 0.00 C ATOM 1789 O ALA A 112 -17.389 -2.392 -2.804 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.986 -1.510 -4.705 1.00 0.00 C ATOM 0 H ALA A 112 -21.272 -0.654 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.735 -3.044 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.220 -1.908 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.963 -1.881 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.979 -0.421 -4.754 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.031 -0.238 -2.690 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.704 0.332 -2.450 1.00 0.00 C ATOM 1798 C LEU A 113 -16.113 -0.270 -1.177 1.00 0.00 C ATOM 1799 O LEU A 113 -14.951 -0.667 -1.134 1.00 0.00 O ATOM 1800 CB LEU A 113 -16.778 1.862 -2.399 1.00 0.00 C ATOM 1801 CG LEU A 113 -15.596 2.556 -3.096 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -14.227 2.328 -2.449 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -15.524 2.315 -4.607 1.00 0.00 C ATOM 0 H LEU A 113 -18.769 0.466 -2.708 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.038 0.080 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -17.707 2.189 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.814 2.182 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.835 3.608 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -13.463 2.860 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -14.242 2.700 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -14.000 1.262 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.662 2.840 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -15.425 1.247 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.434 2.686 -5.078 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.921 -0.365 -0.120 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.458 -0.923 1.148 1.00 0.00 C ATOM 1817 C ASN A 114 -16.168 -2.413 1.027 1.00 0.00 C ATOM 1818 O ASN A 114 -15.205 -2.873 1.634 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.440 -0.705 2.313 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.666 0.126 2.002 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.675 -0.413 1.575 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -18.593 1.432 2.176 1.00 0.00 N ATOM 0 H ASN A 114 -17.895 -0.064 -0.118 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.542 -0.378 1.376 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -17.768 -1.680 2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.901 -0.229 3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.394 2.022 1.952 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -17.735 1.852 2.535 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.955 -3.165 0.252 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.676 -4.580 0.016 1.00 0.00 C ATOM 1831 C LYS A 115 -15.275 -4.738 -0.580 1.00 0.00 C ATOM 1832 O LYS A 115 -14.514 -5.592 -0.131 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.756 -5.209 -0.878 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.612 -6.743 -0.944 1.00 0.00 C ATOM 1835 CD LYS A 115 -18.025 -7.317 -2.301 1.00 0.00 C ATOM 1836 CE LYS A 115 -16.984 -6.924 -3.352 1.00 0.00 C ATOM 1837 NZ LYS A 115 -17.301 -7.451 -4.695 1.00 0.00 N ATOM 0 H LYS A 115 -17.789 -2.816 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.701 -5.114 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.743 -4.951 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.686 -4.792 -1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.577 -7.016 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.222 -7.195 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.106 -8.402 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.007 -6.939 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.915 -5.837 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.006 -7.292 -3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.564 -7.155 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.341 -8.490 -4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.222 -7.080 -5.005 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.913 -3.888 -1.543 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.608 -3.941 -2.188 1.00 0.00 C ATOM 1853 C ALA A 116 -12.444 -3.763 -1.202 1.00 0.00 C ATOM 1854 O ALA A 116 -11.365 -4.306 -1.448 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.548 -2.888 -3.297 1.00 0.00 C ATOM 0 H ALA A 116 -15.518 -3.146 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.491 -4.937 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.572 -2.925 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.327 -3.090 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.702 -1.898 -2.868 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.622 -3.030 -0.094 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.591 -2.871 0.933 1.00 0.00 C ATOM 1863 C VAL A 117 -11.245 -4.215 1.588 1.00 0.00 C ATOM 1864 O VAL A 117 -10.079 -4.421 1.935 1.00 0.00 O ATOM 1865 CB VAL A 117 -12.057 -1.835 1.971 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -11.112 -1.683 3.162 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.220 -0.459 1.326 1.00 0.00 C ATOM 0 H VAL A 117 -13.487 -2.531 0.113 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.676 -2.507 0.465 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.009 -2.216 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.509 -0.935 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.021 -2.638 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.130 -1.367 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.550 0.258 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.265 -0.136 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.961 -0.516 0.529 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.234 -5.097 1.785 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.030 -6.425 2.352 1.00 0.00 C ATOM 1879 C ARG A 118 -11.166 -7.226 1.390 1.00 0.00 C ATOM 1880 O ARG A 118 -10.044 -7.582 1.732 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.394 -7.075 2.694 1.00 0.00 C ATOM 1882 CG ARG A 118 -13.423 -8.612 2.607 1.00 0.00 C ATOM 1883 CD ARG A 118 -14.744 -9.161 3.154 1.00 0.00 C ATOM 1884 NE ARG A 118 -14.850 -10.627 3.044 1.00 0.00 N ATOM 1885 CZ ARG A 118 -14.284 -11.581 3.798 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -13.431 -11.296 4.779 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -14.590 -12.846 3.541 1.00 0.00 N ATOM 0 H ARG A 118 -13.207 -4.900 1.551 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.494 -6.383 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.678 -6.778 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.150 -6.674 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -13.295 -8.925 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -12.589 -9.029 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -14.845 -8.873 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -15.573 -8.701 2.615 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.440 -10.965 2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -13.188 -10.325 4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -13.020 -12.048 5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -15.240 -13.071 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -14.176 -13.594 4.097 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.676 -7.496 0.188 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.069 -8.509 -0.665 1.00 0.00 C ATOM 1903 C GLU A 119 -9.693 -8.055 -1.131 1.00 0.00 C ATOM 1904 O GLU A 119 -8.738 -8.827 -1.095 1.00 0.00 O ATOM 1905 CB GLU A 119 -11.940 -8.781 -1.894 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.387 -9.157 -1.561 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.078 -9.638 -2.832 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.596 -8.787 -3.585 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -14.030 -10.859 -3.105 1.00 0.00 O ATOM 0 H GLU A 119 -12.494 -7.034 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.978 -9.423 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.943 -7.895 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.490 -9.587 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.408 -9.939 -0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.914 -8.297 -1.148 1.00 0.00 H new ATOM 1916 N THR A 120 -9.559 -6.784 -1.518 1.00 0.00 N ATOM 1917 CA THR A 120 -8.268 -6.299 -1.971 1.00 0.00 C ATOM 1918 C THR A 120 -7.237 -6.417 -0.831 1.00 0.00 C ATOM 1919 O THR A 120 -6.056 -6.629 -1.111 1.00 0.00 O ATOM 1920 CB THR A 120 -8.374 -4.869 -2.523 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.521 -4.649 -3.336 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.138 -4.519 -3.351 1.00 0.00 C ATOM 0 H THR A 120 -10.310 -6.094 -1.525 1.00 0.00 H new ATOM 0 HA THR A 120 -7.922 -6.920 -2.798 1.00 0.00 H new ATOM 0 HB THR A 120 -8.458 -4.231 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.275 -4.379 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.232 -3.503 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.249 -4.591 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.051 -5.214 -4.186 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.636 -6.321 0.450 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.704 -6.549 1.536 1.00 0.00 C ATOM 1932 C ALA A 121 -6.267 -8.014 1.610 1.00 0.00 C ATOM 1933 O ALA A 121 -5.104 -8.249 1.925 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.300 -6.092 2.871 1.00 0.00 C ATOM 0 H ALA A 121 -8.586 -6.090 0.742 1.00 0.00 H new ATOM 0 HA ALA A 121 -5.815 -5.952 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.582 -6.273 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.528 -5.027 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.215 -6.650 3.071 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.140 -8.978 1.294 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.766 -10.392 1.220 1.00 0.00 C ATOM 1942 C HIS A 122 -5.630 -10.547 0.213 1.00 0.00 C ATOM 1943 O HIS A 122 -4.567 -11.086 0.525 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.932 -11.291 0.776 1.00 0.00 C ATOM 1945 CG HIS A 122 -9.216 -11.265 1.557 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -10.305 -12.045 1.255 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.524 -10.528 2.668 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -11.223 -11.837 2.209 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.797 -10.915 3.087 1.00 0.00 N ATOM 0 H HIS A 122 -8.122 -8.799 1.083 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.466 -10.703 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.170 -11.034 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.571 -12.319 0.773 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -10.398 -12.668 0.453 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -8.897 -9.783 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -12.176 -12.342 2.264 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.850 -10.013 -0.993 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.869 -10.019 -2.065 1.00 0.00 C ATOM 1959 C GLU A 123 -3.572 -9.329 -1.639 1.00 0.00 C ATOM 1960 O GLU A 123 -2.489 -9.735 -2.052 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.453 -9.327 -3.306 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.350 -10.255 -4.129 1.00 0.00 C ATOM 1963 CD GLU A 123 -7.813 -10.342 -3.693 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -8.612 -9.470 -4.110 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -8.185 -11.379 -3.096 1.00 0.00 O ATOM 0 H GLU A 123 -6.728 -9.561 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.632 -11.056 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.027 -8.455 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.638 -8.965 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.321 -9.926 -5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -5.924 -11.258 -4.100 1.00 0.00 H new ATOM 1972 N THR A 124 -3.671 -8.290 -0.814 1.00 0.00 N ATOM 1973 CA THR A 124 -2.509 -7.577 -0.324 1.00 0.00 C ATOM 1974 C THR A 124 -1.651 -8.484 0.565 1.00 0.00 C ATOM 1975 O THR A 124 -0.439 -8.536 0.363 1.00 0.00 O ATOM 1976 CB THR A 124 -2.946 -6.276 0.358 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.684 -5.481 -0.546 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.745 -5.452 0.809 1.00 0.00 C ATOM 0 H THR A 124 -4.559 -7.924 -0.471 1.00 0.00 H new ATOM 0 HA THR A 124 -1.868 -7.292 -1.158 1.00 0.00 H new ATOM 0 HB THR A 124 -3.549 -6.555 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.598 -5.828 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 124 -2.091 -4.536 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.152 -6.031 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.132 -5.199 -0.056 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.235 -9.186 1.541 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.477 -10.033 2.467 1.00 0.00 C ATOM 1988 C ILE A 125 -0.752 -11.138 1.711 1.00 0.00 C ATOM 1989 O ILE A 125 0.399 -11.433 2.041 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.408 -10.574 3.575 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.994 -9.410 4.395 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.753 -11.570 4.546 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.996 -8.375 4.913 1.00 0.00 C ATOM 0 H ILE A 125 -3.241 -9.184 1.711 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.708 -9.437 2.958 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.183 -11.122 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.732 -8.895 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.527 -9.828 5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.486 -11.892 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.393 -12.436 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.915 -11.089 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.527 -7.606 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.270 -8.863 5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.478 -7.916 4.071 1.00 0.00 H new ATOM 2005 N SER A 126 -1.376 -11.676 0.662 1.00 0.00 N ATOM 2006 CA SER A 126 -0.718 -12.630 -0.219 1.00 0.00 C ATOM 2007 C SER A 126 0.619 -12.102 -0.762 1.00 0.00 C ATOM 2008 O SER A 126 1.578 -12.876 -0.812 1.00 0.00 O ATOM 2009 CB SER A 126 -1.669 -13.032 -1.346 1.00 0.00 C ATOM 2010 OG SER A 126 -2.839 -13.600 -0.781 1.00 0.00 O ATOM 0 H SER A 126 -2.340 -11.463 0.405 1.00 0.00 H new ATOM 0 HA SER A 126 -0.472 -13.516 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.927 -12.162 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.185 -13.749 -2.010 1.00 0.00 H new ATOM 0 HG SER A 126 -3.456 -13.859 -1.497 1.00 0.00 H new ATOM 2016 N ALA A 127 0.709 -10.817 -1.123 1.00 0.00 N ATOM 2017 CA ALA A 127 1.958 -10.203 -1.554 1.00 0.00 C ATOM 2018 C ALA A 127 2.887 -9.971 -0.361 1.00 0.00 C ATOM 2019 O ALA A 127 4.056 -10.349 -0.435 1.00 0.00 O ATOM 2020 CB ALA A 127 1.667 -8.900 -2.295 1.00 0.00 C ATOM 0 H ALA A 127 -0.086 -10.178 -1.123 1.00 0.00 H new ATOM 0 HA ALA A 127 2.469 -10.880 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.605 -8.446 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.049 -9.108 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.139 -8.214 -1.632 1.00 0.00 H new ATOM 2026 N ILE A 128 2.396 -9.368 0.736 1.00 0.00 N ATOM 2027 CA ILE A 128 3.204 -9.059 1.926 1.00 0.00 C ATOM 2028 C ILE A 128 4.040 -10.290 2.331 1.00 0.00 C ATOM 2029 O ILE A 128 5.240 -10.171 2.602 1.00 0.00 O ATOM 2030 CB ILE A 128 2.325 -8.535 3.094 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.622 -7.200 2.744 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.203 -8.351 4.339 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.922 -6.490 3.918 1.00 0.00 C ATOM 0 H ILE A 128 1.421 -9.080 0.821 1.00 0.00 H new ATOM 0 HA ILE A 128 3.894 -8.252 1.678 1.00 0.00 H new ATOM 0 HB ILE A 128 1.544 -9.271 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.362 -6.520 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.883 -7.392 1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.592 -7.983 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.648 -9.307 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.993 -7.632 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.463 -5.567 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.153 -7.142 4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.654 -6.257 4.691 1.00 0.00 H new ATOM 2045 N PHE A 129 3.415 -11.469 2.350 1.00 0.00 N ATOM 2046 CA PHE A 129 4.014 -12.705 2.831 1.00 0.00 C ATOM 2047 C PHE A 129 4.366 -13.677 1.703 1.00 0.00 C ATOM 2048 O PHE A 129 4.564 -14.859 1.988 1.00 0.00 O ATOM 2049 CB PHE A 129 3.094 -13.315 3.898 1.00 0.00 C ATOM 2050 CG PHE A 129 3.013 -12.454 5.141 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.071 -12.463 6.068 1.00 0.00 C ATOM 2052 CD2 PHE A 129 1.906 -11.616 5.349 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.015 -11.642 7.206 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.844 -10.802 6.492 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.900 -10.814 7.420 1.00 0.00 C ATOM 0 H PHE A 129 2.456 -11.588 2.023 1.00 0.00 H new ATOM 0 HA PHE A 129 4.976 -12.479 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.095 -13.446 3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.459 -14.306 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.927 -13.101 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.101 -11.597 4.629 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.829 -11.647 7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.986 -10.167 6.658 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.854 -10.187 8.298 1.00 0.00 H new ATOM 2065 N SER A 130 4.471 -13.200 0.460 1.00 0.00 N ATOM 2066 CA SER A 130 4.823 -13.954 -0.740 1.00 0.00 C ATOM 2067 C SER A 130 5.984 -14.926 -0.477 1.00 0.00 C ATOM 2068 O SER A 130 6.962 -14.591 0.206 1.00 0.00 O ATOM 2069 CB SER A 130 5.114 -12.923 -1.842 1.00 0.00 C ATOM 2070 OG SER A 130 5.853 -13.445 -2.932 1.00 0.00 O ATOM 0 H SER A 130 4.301 -12.215 0.255 1.00 0.00 H new ATOM 0 HA SER A 130 4.005 -14.599 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.169 -12.525 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.664 -12.087 -1.409 1.00 0.00 H new ATOM 0 HG SER A 130 6.001 -12.739 -3.595 1.00 0.00 H new