USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1038 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 83 LYS NZ :NH3+ 160:sc= 0.334 (180deg=0) USER MOD Set 1.2: A 85 SER OG : rot -47:sc= 0.407 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 136 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 56:sc= 0.972 USER MOD Set 3.2: A 35 SER OG : rot 180:sc= 0.845 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 34:sc= 0.173 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.84 K(o=0.84,f=-3.7!) USER MOD Single : A 20 ASN : amide:sc= -2.02 K(o=-2,f=-9.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00662 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 37:sc= 0.147 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= -0.0488 (180deg=-0.339) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.047) USER MOD Single : A 48 CYS SG : rot -3:sc= -2.44! USER MOD Single : A 52 ASN : amide:sc= -2.3! C(o=-2.3!,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 150:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 14:sc=-0.00994 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 73 CYS SG : rot 97:sc= 0.84 USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= -0.14 (180deg=-0.56) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -5.9! C(o=-5.9!,f=-9.7!) USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= -0.06 (180deg=-0.97) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -116:sc= -0.953 (180deg=-2.18!) USER MOD Single : A 97 MET CE :methyl -176:sc= -5.69! (180deg=-5.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0877 K(o=-0.088,f=-0.87) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.866 F(o=-3!,f=-0.87) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -132:sc= 0.589 (180deg=0.0325) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.021 (180deg=-0.597) USER MOD Single : A 127 ASN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 CYS SG : rot 101:sc= -0.795 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 1.222 14.019 14.431 1.00 0.00 N ATOM 89 CA VAL A 9 1.371 13.452 13.096 1.00 0.00 C ATOM 90 C VAL A 9 0.012 13.153 12.471 1.00 0.00 C ATOM 91 O VAL A 9 -0.839 12.513 13.089 1.00 0.00 O ATOM 92 CB VAL A 9 2.207 12.159 13.124 1.00 0.00 C ATOM 93 CG1 VAL A 9 1.526 11.102 13.980 1.00 0.00 C ATOM 94 CG2 VAL A 9 2.440 11.644 11.712 1.00 0.00 C ATOM 0 HA VAL A 9 1.890 14.197 12.492 1.00 0.00 H new ATOM 0 HB VAL A 9 3.177 12.383 13.568 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.131 10.195 13.988 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.416 11.474 14.999 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.542 10.878 13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.032 10.730 11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.481 11.435 11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.974 12.398 11.133 1.00 0.00 H new ATOM 104 N VAL A 10 -0.184 13.619 11.242 1.00 0.00 N ATOM 105 CA VAL A 10 -1.438 13.399 10.532 1.00 0.00 C ATOM 106 C VAL A 10 -1.410 12.085 9.760 1.00 0.00 C ATOM 107 O VAL A 10 -0.789 11.986 8.702 1.00 0.00 O ATOM 108 CB VAL A 10 -1.738 14.550 9.554 1.00 0.00 C ATOM 109 CG1 VAL A 10 -3.022 14.278 8.786 1.00 0.00 C ATOM 110 CG2 VAL A 10 -1.824 15.874 10.299 1.00 0.00 C ATOM 0 H VAL A 10 0.510 14.151 10.717 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.225 13.357 11.285 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.920 14.615 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.217 15.102 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.918 13.352 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.852 14.184 9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.037 16.676 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.621 15.823 11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.876 16.073 10.799 1.00 0.00 H new ATOM 120 N LYS A 11 -2.089 11.076 10.296 1.00 0.00 N ATOM 121 CA LYS A 11 -2.144 9.766 9.658 1.00 0.00 C ATOM 122 C LYS A 11 -3.578 9.403 9.285 1.00 0.00 C ATOM 123 O LYS A 11 -4.531 9.900 9.886 1.00 0.00 O ATOM 124 CB LYS A 11 -1.562 8.698 10.586 1.00 0.00 C ATOM 125 CG LYS A 11 -2.474 8.336 11.745 1.00 0.00 C ATOM 126 CD LYS A 11 -2.223 9.225 12.951 1.00 0.00 C ATOM 127 CE LYS A 11 -1.165 8.632 13.869 1.00 0.00 C ATOM 128 NZ LYS A 11 -1.205 9.242 15.228 1.00 0.00 N ATOM 0 H LYS A 11 -2.609 11.141 11.171 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.549 9.809 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.352 7.800 10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.610 9.052 10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.514 8.429 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.316 7.293 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.904 10.212 12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.152 9.360 13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.316 7.556 13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.178 8.784 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.469 8.811 15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.036 10.265 15.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.138 9.075 15.656 1.00 0.00 H new ATOM 142 N PHE A 12 -3.724 8.533 8.291 1.00 0.00 N ATOM 143 CA PHE A 12 -5.043 8.103 7.839 1.00 0.00 C ATOM 144 C PHE A 12 -5.042 6.616 7.497 1.00 0.00 C ATOM 145 O PHE A 12 -4.046 6.081 7.009 1.00 0.00 O ATOM 146 CB PHE A 12 -5.478 8.919 6.620 1.00 0.00 C ATOM 147 CG PHE A 12 -4.388 9.108 5.605 1.00 0.00 C ATOM 148 CD1 PHE A 12 -4.165 8.156 4.623 1.00 0.00 C ATOM 149 CD2 PHE A 12 -3.586 10.237 5.631 1.00 0.00 C ATOM 150 CE1 PHE A 12 -3.162 8.327 3.688 1.00 0.00 C ATOM 151 CE2 PHE A 12 -2.582 10.414 4.698 1.00 0.00 C ATOM 152 CZ PHE A 12 -2.370 9.458 3.725 1.00 0.00 C ATOM 0 H PHE A 12 -2.946 8.112 7.783 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.751 8.270 8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.324 8.423 6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.827 9.897 6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.782 7.270 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.747 10.988 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.997 7.577 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.964 11.299 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.587 9.594 2.994 1.00 0.00 H new ATOM 162 N SER A 13 -6.165 5.955 7.755 1.00 0.00 N ATOM 163 CA SER A 13 -6.294 4.529 7.479 1.00 0.00 C ATOM 164 C SER A 13 -7.205 4.288 6.279 1.00 0.00 C ATOM 165 O SER A 13 -8.338 4.770 6.239 1.00 0.00 O ATOM 166 CB SER A 13 -6.842 3.797 8.705 1.00 0.00 C ATOM 167 OG SER A 13 -8.130 4.277 9.052 1.00 0.00 O ATOM 0 H SER A 13 -6.999 6.384 8.155 1.00 0.00 H new ATOM 0 HA SER A 13 -5.303 4.139 7.245 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.892 2.727 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.162 3.930 9.546 1.00 0.00 H new ATOM 0 HG SER A 13 -8.616 4.527 8.239 1.00 0.00 H new ATOM 173 N TYR A 14 -6.703 3.539 5.304 1.00 0.00 N ATOM 174 CA TYR A 14 -7.470 3.236 4.101 1.00 0.00 C ATOM 175 C TYR A 14 -7.695 1.733 3.964 1.00 0.00 C ATOM 176 O TYR A 14 -6.764 0.978 3.688 1.00 0.00 O ATOM 177 CB TYR A 14 -6.749 3.770 2.863 1.00 0.00 C ATOM 178 CG TYR A 14 -7.415 3.385 1.561 1.00 0.00 C ATOM 179 CD1 TYR A 14 -8.555 4.044 1.119 1.00 0.00 C ATOM 180 CD2 TYR A 14 -6.905 2.360 0.774 1.00 0.00 C ATOM 181 CE1 TYR A 14 -9.167 3.695 -0.069 1.00 0.00 C ATOM 182 CE2 TYR A 14 -7.509 2.005 -0.416 1.00 0.00 C ATOM 183 CZ TYR A 14 -8.640 2.675 -0.834 1.00 0.00 C ATOM 184 OH TYR A 14 -9.246 2.323 -2.018 1.00 0.00 O ATOM 0 H TYR A 14 -5.769 3.130 5.323 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.441 3.725 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.694 4.857 2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.724 3.398 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.970 4.843 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.021 1.832 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.053 4.218 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.098 1.207 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.316 3.111 -2.597 1.00 0.00 H new ATOM 194 N MET A 15 -8.939 1.307 4.157 1.00 0.00 N ATOM 195 CA MET A 15 -9.288 -0.105 4.053 1.00 0.00 C ATOM 196 C MET A 15 -9.687 -0.462 2.625 1.00 0.00 C ATOM 197 O MET A 15 -10.629 0.106 2.073 1.00 0.00 O ATOM 198 CB MET A 15 -10.430 -0.442 5.013 1.00 0.00 C ATOM 199 CG MET A 15 -10.503 -1.916 5.377 1.00 0.00 C ATOM 200 SD MET A 15 -12.102 -2.383 6.068 1.00 0.00 S ATOM 201 CE MET A 15 -12.015 -1.605 7.679 1.00 0.00 C ATOM 0 H MET A 15 -9.722 1.919 4.386 1.00 0.00 H new ATOM 0 HA MET A 15 -8.410 -0.692 4.324 1.00 0.00 H new ATOM 0 HB2 MET A 15 -10.312 0.144 5.925 1.00 0.00 H new ATOM 0 HB3 MET A 15 -11.375 -0.141 4.561 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.307 -2.516 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.719 -2.148 6.098 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.935 -1.804 8.229 1.00 0.00 H new ATOM 0 HE2 MET A 15 -11.167 -2.008 8.232 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.891 -0.529 7.557 1.00 0.00 H new ATOM 211 N TRP A 16 -8.964 -1.406 2.032 1.00 0.00 N ATOM 212 CA TRP A 16 -9.243 -1.838 0.667 1.00 0.00 C ATOM 213 C TRP A 16 -9.575 -3.325 0.625 1.00 0.00 C ATOM 214 O TRP A 16 -8.693 -4.174 0.760 1.00 0.00 O ATOM 215 CB TRP A 16 -8.045 -1.544 -0.237 1.00 0.00 C ATOM 216 CG TRP A 16 -8.130 -2.219 -1.573 1.00 0.00 C ATOM 217 CD1 TRP A 16 -9.266 -2.587 -2.235 1.00 0.00 C ATOM 218 CD2 TRP A 16 -7.033 -2.608 -2.407 1.00 0.00 C ATOM 219 NE1 TRP A 16 -8.943 -3.181 -3.430 1.00 0.00 N ATOM 220 CE2 TRP A 16 -7.579 -3.206 -3.560 1.00 0.00 C ATOM 221 CE3 TRP A 16 -5.644 -2.509 -2.294 1.00 0.00 C ATOM 222 CZ2 TRP A 16 -6.783 -3.701 -4.590 1.00 0.00 C ATOM 223 CZ3 TRP A 16 -4.855 -3.001 -3.316 1.00 0.00 C ATOM 224 CH2 TRP A 16 -5.426 -3.590 -4.452 1.00 0.00 C ATOM 0 H TRP A 16 -8.181 -1.886 2.475 1.00 0.00 H new ATOM 0 HA TRP A 16 -10.107 -1.282 0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -7.967 -0.467 -0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.132 -1.863 0.266 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -10.271 -2.433 -1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.610 -3.545 -4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.195 -2.056 -1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -7.221 -4.156 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.780 -2.930 -3.238 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -4.782 -3.964 -5.234 1.00 0.00 H new ATOM 235 N THR A 17 -10.854 -3.636 0.435 1.00 0.00 N ATOM 236 CA THR A 17 -11.303 -5.022 0.376 1.00 0.00 C ATOM 237 C THR A 17 -11.355 -5.521 -1.064 1.00 0.00 C ATOM 238 O THR A 17 -11.945 -4.878 -1.932 1.00 0.00 O ATOM 239 CB THR A 17 -12.693 -5.190 1.017 1.00 0.00 C ATOM 240 OG1 THR A 17 -12.646 -4.807 2.396 1.00 0.00 O ATOM 241 CG2 THR A 17 -13.172 -6.629 0.900 1.00 0.00 C ATOM 0 H THR A 17 -11.597 -2.947 0.319 1.00 0.00 H new ATOM 0 HA THR A 17 -10.580 -5.614 0.937 1.00 0.00 H new ATOM 0 HB THR A 17 -13.394 -4.546 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.534 -4.915 2.796 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.156 -6.724 1.360 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.235 -6.907 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.469 -7.289 1.408 1.00 0.00 H new ATOM 249 N ILE A 18 -10.736 -6.671 -1.309 1.00 0.00 N ATOM 250 CA ILE A 18 -10.715 -7.257 -2.643 1.00 0.00 C ATOM 251 C ILE A 18 -11.537 -8.540 -2.693 1.00 0.00 C ATOM 252 O ILE A 18 -11.062 -9.608 -2.309 1.00 0.00 O ATOM 253 CB ILE A 18 -9.276 -7.564 -3.101 1.00 0.00 C ATOM 254 CG1 ILE A 18 -8.442 -6.281 -3.126 1.00 0.00 C ATOM 255 CG2 ILE A 18 -9.286 -8.223 -4.471 1.00 0.00 C ATOM 256 CD1 ILE A 18 -6.952 -6.529 -3.044 1.00 0.00 C ATOM 0 H ILE A 18 -10.243 -7.215 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.153 -6.521 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.823 -8.256 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.661 -5.732 -4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.743 -5.645 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.262 -8.434 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.850 -9.155 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.753 -7.554 -5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.423 -5.576 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.721 -7.051 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.638 -7.139 -3.891 1.00 0.00 H new ATOM 268 N ASN A 19 -12.772 -8.427 -3.172 1.00 0.00 N ATOM 269 CA ASN A 19 -13.660 -9.580 -3.274 1.00 0.00 C ATOM 270 C ASN A 19 -13.062 -10.648 -4.184 1.00 0.00 C ATOM 271 O ASN A 19 -12.502 -10.340 -5.235 1.00 0.00 O ATOM 272 CB ASN A 19 -15.029 -9.149 -3.804 1.00 0.00 C ATOM 273 CG ASN A 19 -15.373 -7.721 -3.425 1.00 0.00 C ATOM 274 OD1 ASN A 19 -14.724 -6.775 -3.871 1.00 0.00 O ATOM 275 ND2 ASN A 19 -16.399 -7.561 -2.597 1.00 0.00 N ATOM 0 H ASN A 19 -13.180 -7.550 -3.495 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.781 -10.004 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.043 -9.247 -4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.794 -9.820 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.678 -6.624 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.908 -8.375 -2.253 1.00 0.00 H new ATOM 282 N ASN A 20 -13.188 -11.906 -3.772 1.00 0.00 N ATOM 283 CA ASN A 20 -12.661 -13.021 -4.551 1.00 0.00 C ATOM 284 C ASN A 20 -11.151 -12.891 -4.733 1.00 0.00 C ATOM 285 O ASN A 20 -10.637 -13.011 -5.845 1.00 0.00 O ATOM 286 CB ASN A 20 -13.347 -13.086 -5.917 1.00 0.00 C ATOM 287 CG ASN A 20 -14.847 -12.889 -5.820 1.00 0.00 C ATOM 288 OD1 ASN A 20 -15.322 -11.977 -5.142 1.00 0.00 O ATOM 289 ND2 ASN A 20 -15.601 -13.745 -6.499 1.00 0.00 N ATOM 0 H ASN A 20 -13.650 -12.178 -2.904 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.866 -13.942 -4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.924 -12.322 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.139 -14.051 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.617 -13.662 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.164 -14.486 -7.048 1.00 0.00 H new ATOM 296 N PHE A 21 -10.447 -12.647 -3.633 1.00 0.00 N ATOM 297 CA PHE A 21 -8.996 -12.501 -3.670 1.00 0.00 C ATOM 298 C PHE A 21 -8.340 -13.744 -4.265 1.00 0.00 C ATOM 299 O PHE A 21 -7.238 -13.676 -4.810 1.00 0.00 O ATOM 300 CB PHE A 21 -8.452 -12.246 -2.264 1.00 0.00 C ATOM 301 CG PHE A 21 -6.951 -12.228 -2.196 1.00 0.00 C ATOM 302 CD1 PHE A 21 -6.230 -11.203 -2.786 1.00 0.00 C ATOM 303 CD2 PHE A 21 -6.262 -13.237 -1.541 1.00 0.00 C ATOM 304 CE1 PHE A 21 -4.849 -11.185 -2.726 1.00 0.00 C ATOM 305 CE2 PHE A 21 -4.882 -13.224 -1.477 1.00 0.00 C ATOM 306 CZ PHE A 21 -4.174 -12.196 -2.070 1.00 0.00 C ATOM 0 H PHE A 21 -10.857 -12.546 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.757 -11.647 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.836 -11.292 -1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -8.829 -13.017 -1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.753 -10.409 -3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.810 -14.043 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.298 -10.381 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.357 -14.016 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.095 -12.183 -2.021 1.00 0.00 H new ATOM 316 N SER A 22 -9.025 -14.878 -4.154 1.00 0.00 N ATOM 317 CA SER A 22 -8.507 -16.137 -4.676 1.00 0.00 C ATOM 318 C SER A 22 -8.717 -16.227 -6.185 1.00 0.00 C ATOM 319 O SER A 22 -8.134 -17.080 -6.855 1.00 0.00 O ATOM 320 CB SER A 22 -9.188 -17.319 -3.984 1.00 0.00 C ATOM 321 OG SER A 22 -10.599 -17.182 -4.010 1.00 0.00 O ATOM 0 H SER A 22 -9.939 -14.950 -3.708 1.00 0.00 H new ATOM 0 HA SER A 22 -7.437 -16.173 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.901 -18.248 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.845 -17.387 -2.952 1.00 0.00 H new ATOM 0 HG SER A 22 -11.011 -17.951 -3.563 1.00 0.00 H new ATOM 436 N GLU A 30 2.033 -8.371 -12.811 1.00 0.00 N ATOM 437 CA GLU A 30 1.029 -7.316 -12.753 1.00 0.00 C ATOM 438 C GLU A 30 0.569 -7.080 -11.317 1.00 0.00 C ATOM 439 O GLU A 30 0.362 -8.026 -10.557 1.00 0.00 O ATOM 440 CB GLU A 30 -0.171 -7.675 -13.632 1.00 0.00 C ATOM 441 CG GLU A 30 0.046 -7.383 -15.108 1.00 0.00 C ATOM 442 CD GLU A 30 1.067 -8.309 -15.741 1.00 0.00 C ATOM 443 OE1 GLU A 30 0.947 -9.538 -15.559 1.00 0.00 O ATOM 444 OE2 GLU A 30 1.985 -7.802 -16.419 1.00 0.00 O ATOM 0 HA GLU A 30 1.482 -6.398 -13.126 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.397 -8.734 -13.509 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.043 -7.121 -13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.902 -7.478 -15.637 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.375 -6.350 -15.226 1.00 0.00 H new ATOM 451 N VAL A 31 0.412 -5.811 -10.953 1.00 0.00 N ATOM 452 CA VAL A 31 -0.023 -5.450 -9.609 1.00 0.00 C ATOM 453 C VAL A 31 -1.362 -4.722 -9.643 1.00 0.00 C ATOM 454 O VAL A 31 -1.638 -3.951 -10.563 1.00 0.00 O ATOM 455 CB VAL A 31 1.016 -4.559 -8.903 1.00 0.00 C ATOM 456 CG1 VAL A 31 1.178 -3.239 -9.642 1.00 0.00 C ATOM 457 CG2 VAL A 31 0.618 -4.323 -7.454 1.00 0.00 C ATOM 0 H VAL A 31 0.580 -5.016 -11.570 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.132 -6.380 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 31 1.977 -5.073 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.916 -2.623 -9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.512 -3.431 -10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.222 -2.716 -9.666 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.363 -3.692 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.353 -3.830 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.559 -5.278 -6.933 1.00 0.00 H new ATOM 467 N ILE A 32 -2.190 -4.971 -8.634 1.00 0.00 N ATOM 468 CA ILE A 32 -3.500 -4.337 -8.547 1.00 0.00 C ATOM 469 C ILE A 32 -3.419 -3.007 -7.805 1.00 0.00 C ATOM 470 O ILE A 32 -3.278 -2.973 -6.583 1.00 0.00 O ATOM 471 CB ILE A 32 -4.520 -5.247 -7.837 1.00 0.00 C ATOM 472 CG1 ILE A 32 -4.630 -6.590 -8.562 1.00 0.00 C ATOM 473 CG2 ILE A 32 -5.878 -4.565 -7.764 1.00 0.00 C ATOM 474 CD1 ILE A 32 -5.009 -7.738 -7.654 1.00 0.00 C ATOM 0 H ILE A 32 -1.977 -5.607 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.833 -4.160 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.173 -5.432 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.372 -6.505 -9.356 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.676 -6.815 -9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.588 -5.221 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.787 -3.632 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.233 -4.353 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.068 -8.658 -8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.255 -7.850 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.977 -7.535 -7.196 1.00 0.00 H new ATOM 486 N LYS A 33 -3.511 -1.913 -8.553 1.00 0.00 N ATOM 487 CA LYS A 33 -3.452 -0.578 -7.967 1.00 0.00 C ATOM 488 C LYS A 33 -4.842 -0.101 -7.561 1.00 0.00 C ATOM 489 O LYS A 33 -5.714 0.096 -8.408 1.00 0.00 O ATOM 490 CB LYS A 33 -2.831 0.409 -8.958 1.00 0.00 C ATOM 491 CG LYS A 33 -1.313 0.400 -8.955 1.00 0.00 C ATOM 492 CD LYS A 33 -0.747 1.531 -9.797 1.00 0.00 C ATOM 493 CE LYS A 33 -0.576 1.113 -11.250 1.00 0.00 C ATOM 494 NZ LYS A 33 0.714 0.403 -11.475 1.00 0.00 N ATOM 0 H LYS A 33 -3.627 -1.924 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.829 -0.627 -7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.185 0.174 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.180 1.415 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.950 0.490 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.953 -0.555 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.410 2.394 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.216 1.842 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.403 0.465 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.622 1.995 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.793 0.135 -12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.504 1.030 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.747 -0.452 -10.884 1.00 0.00 H new ATOM 508 N SER A 34 -5.042 0.086 -6.260 1.00 0.00 N ATOM 509 CA SER A 34 -6.328 0.539 -5.741 1.00 0.00 C ATOM 510 C SER A 34 -6.534 2.024 -6.021 1.00 0.00 C ATOM 511 O SER A 34 -5.696 2.671 -6.650 1.00 0.00 O ATOM 512 CB SER A 34 -6.416 0.274 -4.237 1.00 0.00 C ATOM 513 OG SER A 34 -5.597 1.175 -3.512 1.00 0.00 O ATOM 0 H SER A 34 -4.330 -0.069 -5.546 1.00 0.00 H new ATOM 0 HA SER A 34 -7.114 -0.020 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.450 0.372 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.110 -0.751 -4.026 1.00 0.00 H new ATOM 0 HG SER A 34 -5.672 0.986 -2.553 1.00 0.00 H new ATOM 519 N SER A 35 -7.655 2.559 -5.549 1.00 0.00 N ATOM 520 CA SER A 35 -7.975 3.967 -5.752 1.00 0.00 C ATOM 521 C SER A 35 -7.104 4.854 -4.866 1.00 0.00 C ATOM 522 O SER A 35 -6.391 4.367 -3.988 1.00 0.00 O ATOM 523 CB SER A 35 -9.453 4.225 -5.454 1.00 0.00 C ATOM 524 OG SER A 35 -9.709 4.174 -4.061 1.00 0.00 O ATOM 0 H SER A 35 -8.357 2.039 -5.023 1.00 0.00 H new ATOM 0 HA SER A 35 -7.774 4.213 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.741 5.201 -5.844 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.065 3.483 -5.967 1.00 0.00 H new ATOM 0 HG SER A 35 -10.660 4.343 -3.897 1.00 0.00 H new ATOM 530 N THR A 36 -7.168 6.161 -5.103 1.00 0.00 N ATOM 531 CA THR A 36 -6.386 7.117 -4.330 1.00 0.00 C ATOM 532 C THR A 36 -7.133 7.551 -3.074 1.00 0.00 C ATOM 533 O THR A 36 -8.302 7.935 -3.137 1.00 0.00 O ATOM 534 CB THR A 36 -6.039 8.365 -5.164 1.00 0.00 C ATOM 535 OG1 THR A 36 -7.239 8.984 -5.641 1.00 0.00 O ATOM 536 CG2 THR A 36 -5.149 7.998 -6.342 1.00 0.00 C ATOM 0 H THR A 36 -7.754 6.581 -5.825 1.00 0.00 H new ATOM 0 HA THR A 36 -5.463 6.612 -4.045 1.00 0.00 H new ATOM 0 HB THR A 36 -5.499 9.064 -4.525 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.938 8.913 -4.958 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.917 8.895 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.224 7.553 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.667 7.282 -6.980 1.00 0.00 H new ATOM 544 N PHE A 37 -6.453 7.488 -1.935 1.00 0.00 N ATOM 545 CA PHE A 37 -7.053 7.875 -0.663 1.00 0.00 C ATOM 546 C PHE A 37 -6.282 9.026 -0.025 1.00 0.00 C ATOM 547 O PHE A 37 -5.097 9.220 -0.297 1.00 0.00 O ATOM 548 CB PHE A 37 -7.091 6.680 0.292 1.00 0.00 C ATOM 549 CG PHE A 37 -5.840 5.848 0.261 1.00 0.00 C ATOM 550 CD1 PHE A 37 -5.689 4.835 -0.671 1.00 0.00 C ATOM 551 CD2 PHE A 37 -4.816 6.081 1.165 1.00 0.00 C ATOM 552 CE1 PHE A 37 -4.539 4.068 -0.703 1.00 0.00 C ATOM 553 CE2 PHE A 37 -3.663 5.318 1.138 1.00 0.00 C ATOM 554 CZ PHE A 37 -3.525 4.310 0.204 1.00 0.00 C ATOM 0 H PHE A 37 -5.485 7.173 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.072 8.208 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.252 7.042 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.943 6.050 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.479 4.642 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.919 6.867 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.433 3.281 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.871 5.510 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.626 3.712 0.183 1.00 0.00 H new ATOM 564 N SER A 38 -6.963 9.788 0.825 1.00 0.00 N ATOM 565 CA SER A 38 -6.344 10.923 1.499 1.00 0.00 C ATOM 566 C SER A 38 -6.760 10.977 2.966 1.00 0.00 C ATOM 567 O SER A 38 -7.506 10.121 3.443 1.00 0.00 O ATOM 568 CB SER A 38 -6.728 12.229 0.800 1.00 0.00 C ATOM 569 OG SER A 38 -8.076 12.574 1.067 1.00 0.00 O ATOM 0 H SER A 38 -7.944 9.640 1.063 1.00 0.00 H new ATOM 0 HA SER A 38 -5.262 10.797 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.071 13.031 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.582 12.126 -0.275 1.00 0.00 H new ATOM 0 HG SER A 38 -8.296 13.413 0.610 1.00 0.00 H new ATOM 629 N LYS A 44 -4.174 17.724 -1.779 1.00 0.00 N ATOM 630 CA LYS A 44 -3.620 17.525 -3.113 1.00 0.00 C ATOM 631 C LYS A 44 -2.826 16.225 -3.184 1.00 0.00 C ATOM 632 O LYS A 44 -2.883 15.504 -4.181 1.00 0.00 O ATOM 633 CB LYS A 44 -2.722 18.704 -3.496 1.00 0.00 C ATOM 634 CG LYS A 44 -3.493 19.940 -3.928 1.00 0.00 C ATOM 635 CD LYS A 44 -4.142 19.745 -5.289 1.00 0.00 C ATOM 636 CE LYS A 44 -4.259 21.059 -6.044 1.00 0.00 C ATOM 637 NZ LYS A 44 -2.927 21.586 -6.451 1.00 0.00 N ATOM 0 HA LYS A 44 -4.449 17.463 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.089 18.959 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.060 18.398 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.260 20.169 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.819 20.796 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.555 19.038 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.132 19.308 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.878 20.915 -6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.764 21.794 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.043 22.242 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.493 22.088 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.314 20.796 -6.738 1.00 0.00 H new ATOM 651 N LEU A 45 -2.087 15.930 -2.120 1.00 0.00 N ATOM 652 CA LEU A 45 -1.282 14.714 -2.061 1.00 0.00 C ATOM 653 C LEU A 45 -2.170 13.474 -2.048 1.00 0.00 C ATOM 654 O LEU A 45 -3.079 13.357 -1.226 1.00 0.00 O ATOM 655 CB LEU A 45 -0.389 14.730 -0.819 1.00 0.00 C ATOM 656 CG LEU A 45 0.954 14.011 -0.950 1.00 0.00 C ATOM 657 CD1 LEU A 45 1.843 14.319 0.246 1.00 0.00 C ATOM 658 CD2 LEU A 45 0.744 12.510 -1.087 1.00 0.00 C ATOM 0 H LEU A 45 -2.028 16.515 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.654 14.679 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.198 15.768 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.941 14.280 0.007 1.00 0.00 H new ATOM 0 HG LEU A 45 1.452 14.372 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.794 13.799 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.021 15.393 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.351 13.986 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.710 12.014 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.226 12.133 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.145 12.306 -1.975 1.00 0.00 H new ATOM 670 N LYS A 46 -1.898 12.548 -2.962 1.00 0.00 N ATOM 671 CA LYS A 46 -2.669 11.314 -3.053 1.00 0.00 C ATOM 672 C LYS A 46 -1.784 10.099 -2.792 1.00 0.00 C ATOM 673 O LYS A 46 -0.568 10.156 -2.972 1.00 0.00 O ATOM 674 CB LYS A 46 -3.320 11.197 -4.433 1.00 0.00 C ATOM 675 CG LYS A 46 -4.412 12.223 -4.680 1.00 0.00 C ATOM 676 CD LYS A 46 -5.639 11.949 -3.826 1.00 0.00 C ATOM 677 CE LYS A 46 -6.891 12.558 -4.437 1.00 0.00 C ATOM 678 NZ LYS A 46 -6.765 14.032 -4.606 1.00 0.00 N ATOM 0 H LYS A 46 -1.149 12.629 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.448 11.344 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.551 11.306 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.741 10.198 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.031 13.221 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.691 12.212 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.773 10.873 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.486 12.356 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.084 12.097 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.749 12.337 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.690 14.432 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.440 14.457 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.077 14.238 -5.358 1.00 0.00 H new ATOM 692 N TRP A 47 -2.403 9.003 -2.370 1.00 0.00 N ATOM 693 CA TRP A 47 -1.670 7.774 -2.086 1.00 0.00 C ATOM 694 C TRP A 47 -2.345 6.574 -2.741 1.00 0.00 C ATOM 695 O TRP A 47 -3.562 6.564 -2.935 1.00 0.00 O ATOM 696 CB TRP A 47 -1.567 7.554 -0.576 1.00 0.00 C ATOM 697 CG TRP A 47 -0.927 8.700 0.148 1.00 0.00 C ATOM 698 CD1 TRP A 47 -1.543 9.831 0.601 1.00 0.00 C ATOM 699 CD2 TRP A 47 0.455 8.825 0.501 1.00 0.00 C ATOM 700 NE1 TRP A 47 -0.628 10.652 1.214 1.00 0.00 N ATOM 701 CE2 TRP A 47 0.605 10.058 1.166 1.00 0.00 C ATOM 702 CE3 TRP A 47 1.580 8.016 0.320 1.00 0.00 C ATOM 703 CZ2 TRP A 47 1.835 10.497 1.649 1.00 0.00 C ATOM 704 CZ3 TRP A 47 2.800 8.454 0.800 1.00 0.00 C ATOM 705 CH2 TRP A 47 2.919 9.685 1.459 1.00 0.00 C ATOM 0 H TRP A 47 -3.409 8.939 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.667 7.875 -2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.565 7.390 -0.171 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.993 6.647 -0.386 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.595 10.048 0.493 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -0.834 11.557 1.636 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.498 7.065 -0.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.930 11.446 2.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.676 7.837 0.665 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.886 9.999 1.824 1.00 0.00 H new ATOM 716 N CYS A 48 -1.550 5.565 -3.080 1.00 0.00 N ATOM 717 CA CYS A 48 -2.072 4.360 -3.715 1.00 0.00 C ATOM 718 C CYS A 48 -1.407 3.113 -3.142 1.00 0.00 C ATOM 719 O CYS A 48 -0.285 3.170 -2.639 1.00 0.00 O ATOM 720 CB CYS A 48 -1.855 4.420 -5.227 1.00 0.00 C ATOM 721 SG CYS A 48 -0.144 4.746 -5.715 1.00 0.00 S ATOM 0 H CYS A 48 -0.542 5.557 -2.926 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.141 4.306 -3.512 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.173 3.475 -5.667 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.495 5.197 -5.645 1.00 0.00 H new ATOM 0 HG CYS A 48 0.581 4.937 -4.653 1.00 0.00 H new ATOM 727 N LEU A 49 -2.107 1.986 -3.221 1.00 0.00 N ATOM 728 CA LEU A 49 -1.586 0.724 -2.710 1.00 0.00 C ATOM 729 C LEU A 49 -1.360 -0.272 -3.843 1.00 0.00 C ATOM 730 O LEU A 49 -2.227 -0.464 -4.695 1.00 0.00 O ATOM 731 CB LEU A 49 -2.549 0.132 -1.679 1.00 0.00 C ATOM 732 CG LEU A 49 -2.380 0.624 -0.242 1.00 0.00 C ATOM 733 CD1 LEU A 49 -3.291 -0.150 0.698 1.00 0.00 C ATOM 734 CD2 LEU A 49 -0.928 0.500 0.197 1.00 0.00 C ATOM 0 H LEU A 49 -3.037 1.921 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.628 0.923 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.569 0.348 -1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.436 -0.952 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.662 1.676 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.157 0.214 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.329 -0.010 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.041 -1.210 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.826 0.855 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.619 -0.544 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.297 1.100 -0.459 1.00 0.00 H new ATOM 746 N ARG A 50 -0.191 -0.904 -3.845 1.00 0.00 N ATOM 747 CA ARG A 50 0.148 -1.880 -4.873 1.00 0.00 C ATOM 748 C ARG A 50 0.160 -3.293 -4.297 1.00 0.00 C ATOM 749 O ARG A 50 1.089 -3.679 -3.588 1.00 0.00 O ATOM 750 CB ARG A 50 1.512 -1.556 -5.485 1.00 0.00 C ATOM 751 CG ARG A 50 1.435 -0.633 -6.690 1.00 0.00 C ATOM 752 CD ARG A 50 2.820 -0.275 -7.207 1.00 0.00 C ATOM 753 NE ARG A 50 3.462 -1.403 -7.877 1.00 0.00 N ATOM 754 CZ ARG A 50 4.453 -1.270 -8.752 1.00 0.00 C ATOM 755 NH1 ARG A 50 4.912 -0.066 -9.061 1.00 0.00 N ATOM 756 NH2 ARG A 50 4.986 -2.345 -9.320 1.00 0.00 N ATOM 0 H ARG A 50 0.537 -0.757 -3.146 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.613 -1.829 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.142 -1.095 -4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.998 -2.486 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.863 -1.115 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.900 0.277 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.743 0.562 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.443 0.056 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 50 3.132 -2.344 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.504 0.762 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.673 0.033 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.635 -3.273 -9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.747 -2.243 -9.992 1.00 0.00 H new ATOM 770 N VAL A 51 -0.880 -4.062 -4.607 1.00 0.00 N ATOM 771 CA VAL A 51 -0.989 -5.432 -4.122 1.00 0.00 C ATOM 772 C VAL A 51 -0.880 -6.432 -5.268 1.00 0.00 C ATOM 773 O VAL A 51 -1.477 -6.244 -6.327 1.00 0.00 O ATOM 774 CB VAL A 51 -2.320 -5.661 -3.380 1.00 0.00 C ATOM 775 CG1 VAL A 51 -2.461 -7.119 -2.973 1.00 0.00 C ATOM 776 CG2 VAL A 51 -2.417 -4.748 -2.167 1.00 0.00 C ATOM 0 H VAL A 51 -1.659 -3.759 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.163 -5.588 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.139 -5.417 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.407 -7.261 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.440 -7.749 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.638 -7.394 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.363 -4.923 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.592 -4.958 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.366 -3.708 -2.489 1.00 0.00 H new ATOM 786 N ASN A 52 -0.114 -7.495 -5.047 1.00 0.00 N ATOM 787 CA ASN A 52 0.073 -8.526 -6.062 1.00 0.00 C ATOM 788 C ASN A 52 -0.145 -9.916 -5.473 1.00 0.00 C ATOM 789 O ASN A 52 0.718 -10.471 -4.792 1.00 0.00 O ATOM 790 CB ASN A 52 1.476 -8.429 -6.664 1.00 0.00 C ATOM 791 CG ASN A 52 1.519 -8.890 -8.108 1.00 0.00 C ATOM 792 OD1 ASN A 52 0.928 -9.910 -8.464 1.00 0.00 O ATOM 793 ND2 ASN A 52 2.222 -8.139 -8.948 1.00 0.00 N ATOM 0 H ASN A 52 0.387 -7.665 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.665 -8.365 -6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.823 -7.398 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.165 -9.032 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.288 -8.400 -9.932 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.696 -7.302 -8.609 1.00 0.00 H new ATOM 800 N PRO A 53 -1.326 -10.493 -5.740 1.00 0.00 N ATOM 801 CA PRO A 53 -1.685 -11.826 -5.247 1.00 0.00 C ATOM 802 C PRO A 53 -0.881 -12.931 -5.924 1.00 0.00 C ATOM 803 O PRO A 53 -1.028 -14.109 -5.598 1.00 0.00 O ATOM 804 CB PRO A 53 -3.168 -11.949 -5.604 1.00 0.00 C ATOM 805 CG PRO A 53 -3.356 -11.030 -6.762 1.00 0.00 C ATOM 806 CD PRO A 53 -2.401 -9.890 -6.545 1.00 0.00 C ATOM 0 HA PRO A 53 -1.478 -11.936 -4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.428 -12.974 -5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.802 -11.663 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.148 -11.540 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.385 -10.673 -6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.024 -9.497 -7.489 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.878 -9.061 -6.022 1.00 0.00 H new ATOM 814 N LYS A 54 -0.030 -12.543 -6.868 1.00 0.00 N ATOM 815 CA LYS A 54 0.800 -13.500 -7.590 1.00 0.00 C ATOM 816 C LYS A 54 2.277 -13.140 -7.469 1.00 0.00 C ATOM 817 O LYS A 54 3.130 -13.751 -8.111 1.00 0.00 O ATOM 818 CB LYS A 54 0.395 -13.546 -9.066 1.00 0.00 C ATOM 819 CG LYS A 54 0.623 -14.898 -9.717 1.00 0.00 C ATOM 820 CD LYS A 54 -0.135 -15.021 -11.028 1.00 0.00 C ATOM 821 CE LYS A 54 0.087 -16.379 -11.676 1.00 0.00 C ATOM 822 NZ LYS A 54 -1.050 -16.767 -12.556 1.00 0.00 N ATOM 0 H LYS A 54 0.103 -11.572 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 54 0.646 -14.483 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.659 -13.283 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.958 -12.789 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.688 -15.041 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.306 -15.688 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.200 -14.872 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.187 -14.234 -11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.007 -16.356 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.220 -17.134 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.860 -17.698 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.924 -16.814 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.161 -16.061 -13.311 1.00 0.00 H new ATOM 836 N GLY A 55 2.573 -12.143 -6.639 1.00 0.00 N ATOM 837 CA GLY A 55 3.948 -11.720 -6.448 1.00 0.00 C ATOM 838 C GLY A 55 4.582 -11.214 -7.728 1.00 0.00 C ATOM 839 O GLY A 55 3.888 -10.947 -8.710 1.00 0.00 O ATOM 0 H GLY A 55 1.885 -11.621 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.982 -10.934 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.532 -12.556 -6.063 1.00 0.00 H new ATOM 843 N LEU A 56 5.904 -11.080 -7.719 1.00 0.00 N ATOM 844 CA LEU A 56 6.632 -10.600 -8.888 1.00 0.00 C ATOM 845 C LEU A 56 7.503 -11.705 -9.478 1.00 0.00 C ATOM 846 O LEU A 56 7.542 -11.896 -10.694 1.00 0.00 O ATOM 847 CB LEU A 56 7.499 -9.397 -8.515 1.00 0.00 C ATOM 848 CG LEU A 56 6.799 -8.280 -7.740 1.00 0.00 C ATOM 849 CD1 LEU A 56 7.820 -7.324 -7.142 1.00 0.00 C ATOM 850 CD2 LEU A 56 5.830 -7.531 -8.643 1.00 0.00 C ATOM 0 H LEU A 56 6.493 -11.297 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 56 5.903 -10.296 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.341 -9.752 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.911 -8.973 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 56 6.232 -8.730 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.303 -6.536 -6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.474 -7.869 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.415 -6.881 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.341 -6.740 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.376 -7.093 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.078 -8.223 -9.023 1.00 0.00 H new ATOM 862 N ASP A 57 8.198 -12.431 -8.609 1.00 0.00 N ATOM 863 CA ASP A 57 9.066 -13.519 -9.043 1.00 0.00 C ATOM 864 C ASP A 57 8.640 -14.840 -8.410 1.00 0.00 C ATOM 865 O ASP A 57 8.050 -14.859 -7.330 1.00 0.00 O ATOM 866 CB ASP A 57 10.521 -13.214 -8.686 1.00 0.00 C ATOM 867 CG ASP A 57 10.829 -11.730 -8.729 1.00 0.00 C ATOM 868 OD1 ASP A 57 10.083 -10.988 -9.403 1.00 0.00 O ATOM 869 OD2 ASP A 57 11.815 -11.310 -8.089 1.00 0.00 O ATOM 0 H ASP A 57 8.177 -12.285 -7.600 1.00 0.00 H new ATOM 0 HA ASP A 57 8.978 -13.610 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.735 -13.598 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.180 -13.739 -9.378 1.00 0.00 H new ATOM 874 N GLU A 58 8.942 -15.942 -9.090 1.00 0.00 N ATOM 875 CA GLU A 58 8.588 -17.266 -8.593 1.00 0.00 C ATOM 876 C GLU A 58 8.994 -17.425 -7.131 1.00 0.00 C ATOM 877 O GLU A 58 8.472 -18.285 -6.422 1.00 0.00 O ATOM 878 CB GLU A 58 9.259 -18.349 -9.440 1.00 0.00 C ATOM 879 CG GLU A 58 8.426 -18.795 -10.630 1.00 0.00 C ATOM 880 CD GLU A 58 8.794 -20.184 -11.113 1.00 0.00 C ATOM 881 OE1 GLU A 58 8.923 -21.091 -10.265 1.00 0.00 O ATOM 882 OE2 GLU A 58 8.954 -20.363 -12.338 1.00 0.00 O ATOM 0 H GLU A 58 9.430 -15.944 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 58 7.506 -17.376 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.218 -17.976 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.469 -19.213 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.371 -18.777 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.556 -18.084 -11.446 1.00 0.00 H new ATOM 889 N GLU A 59 9.929 -16.590 -6.688 1.00 0.00 N ATOM 890 CA GLU A 59 10.406 -16.639 -5.310 1.00 0.00 C ATOM 891 C GLU A 59 9.319 -16.183 -4.342 1.00 0.00 C ATOM 892 O GLU A 59 8.846 -16.960 -3.512 1.00 0.00 O ATOM 893 CB GLU A 59 11.650 -15.764 -5.147 1.00 0.00 C ATOM 894 CG GLU A 59 12.163 -15.696 -3.718 1.00 0.00 C ATOM 895 CD GLU A 59 13.102 -16.838 -3.380 1.00 0.00 C ATOM 896 OE1 GLU A 59 13.900 -17.228 -4.258 1.00 0.00 O ATOM 897 OE2 GLU A 59 13.040 -17.340 -2.239 1.00 0.00 O ATOM 0 H GLU A 59 10.371 -15.872 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 59 10.664 -17.672 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.441 -16.149 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.422 -14.755 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.680 -14.748 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.317 -15.711 -3.031 1.00 0.00 H new ATOM 904 N SER A 60 8.928 -14.917 -4.454 1.00 0.00 N ATOM 905 CA SER A 60 7.900 -14.355 -3.586 1.00 0.00 C ATOM 906 C SER A 60 6.513 -14.542 -4.194 1.00 0.00 C ATOM 907 O SER A 60 5.625 -13.708 -4.014 1.00 0.00 O ATOM 908 CB SER A 60 8.166 -12.869 -3.341 1.00 0.00 C ATOM 909 OG SER A 60 8.167 -12.144 -4.559 1.00 0.00 O ATOM 0 H SER A 60 9.308 -14.262 -5.137 1.00 0.00 H new ATOM 0 HA SER A 60 7.934 -14.885 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.404 -12.465 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.126 -12.746 -2.840 1.00 0.00 H new ATOM 0 HG SER A 60 7.861 -11.228 -4.395 1.00 0.00 H new ATOM 915 N LYS A 61 6.334 -15.643 -4.916 1.00 0.00 N ATOM 916 CA LYS A 61 5.057 -15.943 -5.551 1.00 0.00 C ATOM 917 C LYS A 61 4.063 -16.501 -4.538 1.00 0.00 C ATOM 918 O LYS A 61 2.908 -16.076 -4.488 1.00 0.00 O ATOM 919 CB LYS A 61 5.253 -16.943 -6.693 1.00 0.00 C ATOM 920 CG LYS A 61 5.201 -18.394 -6.246 1.00 0.00 C ATOM 921 CD LYS A 61 5.460 -19.343 -7.404 1.00 0.00 C ATOM 922 CE LYS A 61 4.170 -19.720 -8.116 1.00 0.00 C ATOM 923 NZ LYS A 61 4.335 -20.939 -8.955 1.00 0.00 N ATOM 0 H LYS A 61 7.059 -16.343 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 61 4.654 -15.014 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.484 -16.776 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.214 -16.753 -7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.942 -18.562 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.225 -18.607 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.144 -18.876 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.950 -20.244 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.385 -19.890 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.845 -18.889 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.434 -21.163 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.066 -20.769 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.620 -21.738 -8.354 1.00 0.00 H new ATOM 937 N ASP A 62 4.519 -17.453 -3.732 1.00 0.00 N ATOM 938 CA ASP A 62 3.670 -18.068 -2.718 1.00 0.00 C ATOM 939 C ASP A 62 3.236 -17.040 -1.677 1.00 0.00 C ATOM 940 O ASP A 62 2.250 -17.239 -0.967 1.00 0.00 O ATOM 941 CB ASP A 62 4.407 -19.221 -2.036 1.00 0.00 C ATOM 942 CG ASP A 62 4.293 -20.520 -2.810 1.00 0.00 C ATOM 943 OD1 ASP A 62 3.280 -20.700 -3.518 1.00 0.00 O ATOM 944 OD2 ASP A 62 5.215 -21.356 -2.707 1.00 0.00 O ATOM 0 H ASP A 62 5.472 -17.816 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 62 2.780 -18.457 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.459 -18.960 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.005 -19.363 -1.033 1.00 0.00 H new ATOM 949 N TYR A 63 3.977 -15.941 -1.593 1.00 0.00 N ATOM 950 CA TYR A 63 3.671 -14.884 -0.637 1.00 0.00 C ATOM 951 C TYR A 63 3.053 -13.678 -1.338 1.00 0.00 C ATOM 952 O TYR A 63 3.185 -13.515 -2.552 1.00 0.00 O ATOM 953 CB TYR A 63 4.937 -14.460 0.110 1.00 0.00 C ATOM 954 CG TYR A 63 5.613 -15.593 0.847 1.00 0.00 C ATOM 955 CD1 TYR A 63 6.510 -16.433 0.198 1.00 0.00 C ATOM 956 CD2 TYR A 63 5.355 -15.825 2.193 1.00 0.00 C ATOM 957 CE1 TYR A 63 7.129 -17.471 0.867 1.00 0.00 C ATOM 958 CE2 TYR A 63 5.972 -16.859 2.871 1.00 0.00 C ATOM 959 CZ TYR A 63 6.858 -17.679 2.204 1.00 0.00 C ATOM 960 OH TYR A 63 7.473 -18.711 2.875 1.00 0.00 O ATOM 0 H TYR A 63 4.794 -15.759 -2.176 1.00 0.00 H new ATOM 0 HA TYR A 63 2.949 -15.275 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.641 -14.029 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.683 -13.675 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.727 -16.271 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.660 -15.186 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.821 -18.116 0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.762 -17.024 3.917 1.00 0.00 H new ATOM 0 HH TYR A 63 7.174 -18.719 3.808 1.00 0.00 H new ATOM 970 N LEU A 64 2.378 -12.835 -0.565 1.00 0.00 N ATOM 971 CA LEU A 64 1.738 -11.642 -1.110 1.00 0.00 C ATOM 972 C LEU A 64 2.695 -10.454 -1.091 1.00 0.00 C ATOM 973 O LEU A 64 3.250 -10.107 -0.049 1.00 0.00 O ATOM 974 CB LEU A 64 0.476 -11.307 -0.313 1.00 0.00 C ATOM 975 CG LEU A 64 -0.428 -10.229 -0.911 1.00 0.00 C ATOM 976 CD1 LEU A 64 0.256 -8.872 -0.865 1.00 0.00 C ATOM 977 CD2 LEU A 64 -0.812 -10.587 -2.340 1.00 0.00 C ATOM 0 H LEU A 64 2.259 -12.955 0.441 1.00 0.00 H new ATOM 0 HA LEU A 64 1.463 -11.848 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.109 -12.219 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.775 -10.989 0.686 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.338 -10.174 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.403 -8.118 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.479 -8.612 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.183 -8.912 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.456 -9.809 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.088 -10.671 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.344 -11.538 -2.346 1.00 0.00 H new ATOM 989 N SER A 65 2.883 -9.834 -2.252 1.00 0.00 N ATOM 990 CA SER A 65 3.774 -8.686 -2.369 1.00 0.00 C ATOM 991 C SER A 65 2.986 -7.380 -2.329 1.00 0.00 C ATOM 992 O SER A 65 2.224 -7.072 -3.246 1.00 0.00 O ATOM 993 CB SER A 65 4.579 -8.769 -3.668 1.00 0.00 C ATOM 994 OG SER A 65 5.520 -7.713 -3.753 1.00 0.00 O ATOM 0 H SER A 65 2.430 -10.107 -3.124 1.00 0.00 H new ATOM 0 HA SER A 65 4.460 -8.702 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.097 -9.727 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.903 -8.727 -4.522 1.00 0.00 H new ATOM 0 HG SER A 65 5.613 -7.286 -2.876 1.00 0.00 H new ATOM 1000 N LEU A 66 3.175 -6.616 -1.259 1.00 0.00 N ATOM 1001 CA LEU A 66 2.483 -5.342 -1.097 1.00 0.00 C ATOM 1002 C LEU A 66 3.478 -4.204 -0.889 1.00 0.00 C ATOM 1003 O LEU A 66 4.290 -4.237 0.035 1.00 0.00 O ATOM 1004 CB LEU A 66 1.517 -5.411 0.087 1.00 0.00 C ATOM 1005 CG LEU A 66 0.958 -4.075 0.577 1.00 0.00 C ATOM 1006 CD1 LEU A 66 0.213 -3.365 -0.543 1.00 0.00 C ATOM 1007 CD2 LEU A 66 0.046 -4.286 1.776 1.00 0.00 C ATOM 0 H LEU A 66 3.801 -6.856 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 66 1.919 -5.145 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.680 -6.052 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.028 -5.895 0.919 1.00 0.00 H new ATOM 0 HG LEU A 66 1.792 -3.446 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.178 -2.416 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.895 -3.180 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.613 -3.990 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.343 -3.324 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.784 -4.934 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.610 -4.751 2.585 1.00 0.00 H new ATOM 1019 N TYR A 67 3.407 -3.198 -1.754 1.00 0.00 N ATOM 1020 CA TYR A 67 4.301 -2.050 -1.667 1.00 0.00 C ATOM 1021 C TYR A 67 3.511 -0.745 -1.654 1.00 0.00 C ATOM 1022 O TYR A 67 2.433 -0.651 -2.241 1.00 0.00 O ATOM 1023 CB TYR A 67 5.284 -2.052 -2.838 1.00 0.00 C ATOM 1024 CG TYR A 67 6.439 -3.012 -2.657 1.00 0.00 C ATOM 1025 CD1 TYR A 67 6.336 -4.337 -3.064 1.00 0.00 C ATOM 1026 CD2 TYR A 67 7.631 -2.595 -2.079 1.00 0.00 C ATOM 1027 CE1 TYR A 67 7.388 -5.218 -2.901 1.00 0.00 C ATOM 1028 CE2 TYR A 67 8.688 -3.469 -1.913 1.00 0.00 C ATOM 1029 CZ TYR A 67 8.562 -4.779 -2.325 1.00 0.00 C ATOM 1030 OH TYR A 67 9.612 -5.653 -2.160 1.00 0.00 O ATOM 0 H TYR A 67 2.739 -3.155 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 67 4.859 -2.126 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.748 -2.310 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.677 -1.045 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.418 -4.684 -3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.733 -1.570 -1.754 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.292 -6.244 -3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.609 -3.128 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 67 10.364 -5.185 -1.740 1.00 0.00 H new ATOM 1040 N LEU A 68 4.056 0.262 -0.979 1.00 0.00 N ATOM 1041 CA LEU A 68 3.405 1.564 -0.889 1.00 0.00 C ATOM 1042 C LEU A 68 3.942 2.516 -1.953 1.00 0.00 C ATOM 1043 O LEU A 68 5.082 2.975 -1.873 1.00 0.00 O ATOM 1044 CB LEU A 68 3.614 2.165 0.502 1.00 0.00 C ATOM 1045 CG LEU A 68 2.677 3.311 0.885 1.00 0.00 C ATOM 1046 CD1 LEU A 68 2.736 4.419 -0.155 1.00 0.00 C ATOM 1047 CD2 LEU A 68 1.251 2.804 1.046 1.00 0.00 C ATOM 0 H LEU A 68 4.947 0.201 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 68 2.338 1.422 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.504 1.370 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.641 2.524 0.571 1.00 0.00 H new ATOM 0 HG LEU A 68 3.006 3.719 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.063 5.226 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.754 4.802 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.433 4.024 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.599 3.633 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.911 2.369 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.221 2.046 1.829 1.00 0.00 H new ATOM 1059 N LEU A 69 3.112 2.812 -2.948 1.00 0.00 N ATOM 1060 CA LEU A 69 3.502 3.712 -4.027 1.00 0.00 C ATOM 1061 C LEU A 69 2.889 5.095 -3.831 1.00 0.00 C ATOM 1062 O LEU A 69 1.753 5.223 -3.373 1.00 0.00 O ATOM 1063 CB LEU A 69 3.071 3.137 -5.378 1.00 0.00 C ATOM 1064 CG LEU A 69 3.535 3.909 -6.614 1.00 0.00 C ATOM 1065 CD1 LEU A 69 4.910 3.433 -7.056 1.00 0.00 C ATOM 1066 CD2 LEU A 69 2.528 3.758 -7.745 1.00 0.00 C ATOM 0 H LEU A 69 2.165 2.442 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 69 4.587 3.811 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.444 2.115 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.983 3.081 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 69 3.605 4.965 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.223 3.994 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.627 3.592 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.867 2.371 -7.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.874 4.314 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.426 2.704 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.561 4.148 -7.426 1.00 0.00 H new ATOM 1078 N LEU A 70 3.647 6.128 -4.183 1.00 0.00 N ATOM 1079 CA LEU A 70 3.177 7.502 -4.048 1.00 0.00 C ATOM 1080 C LEU A 70 2.528 7.985 -5.341 1.00 0.00 C ATOM 1081 O LEU A 70 3.163 8.657 -6.154 1.00 0.00 O ATOM 1082 CB LEU A 70 4.339 8.424 -3.672 1.00 0.00 C ATOM 1083 CG LEU A 70 4.021 9.919 -3.624 1.00 0.00 C ATOM 1084 CD1 LEU A 70 2.863 10.188 -2.675 1.00 0.00 C ATOM 1085 CD2 LEU A 70 5.250 10.713 -3.207 1.00 0.00 C ATOM 0 H LEU A 70 4.589 6.040 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 70 2.429 7.528 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.715 8.121 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.147 8.267 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 70 3.728 10.241 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.651 11.257 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.979 9.649 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.128 9.851 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.005 11.775 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.574 10.389 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.053 10.545 -3.925 1.00 0.00 H new ATOM 1097 N VAL A 71 1.257 7.640 -5.523 1.00 0.00 N ATOM 1098 CA VAL A 71 0.520 8.041 -6.716 1.00 0.00 C ATOM 1099 C VAL A 71 0.965 9.416 -7.201 1.00 0.00 C ATOM 1100 O VAL A 71 1.440 9.564 -8.327 1.00 0.00 O ATOM 1101 CB VAL A 71 -0.998 8.068 -6.454 1.00 0.00 C ATOM 1102 CG1 VAL A 71 -1.294 8.665 -5.087 1.00 0.00 C ATOM 1103 CG2 VAL A 71 -1.713 8.843 -7.551 1.00 0.00 C ATOM 0 H VAL A 71 0.717 7.084 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 71 0.736 7.300 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.370 7.043 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.371 8.676 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.813 8.064 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.910 9.684 -5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.784 8.852 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.339 9.867 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.528 8.366 -8.513 1.00 0.00 H new ATOM 1113 N SER A 72 0.809 10.419 -6.343 1.00 0.00 N ATOM 1114 CA SER A 72 1.193 11.784 -6.686 1.00 0.00 C ATOM 1115 C SER A 72 1.564 12.574 -5.435 1.00 0.00 C ATOM 1116 O SER A 72 1.140 12.240 -4.328 1.00 0.00 O ATOM 1117 CB SER A 72 0.053 12.486 -7.426 1.00 0.00 C ATOM 1118 OG SER A 72 0.414 13.809 -7.781 1.00 0.00 O ATOM 0 H SER A 72 0.420 10.313 -5.406 1.00 0.00 H new ATOM 0 HA SER A 72 2.066 11.737 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.204 11.923 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.836 12.505 -6.796 1.00 0.00 H new ATOM 0 HG SER A 72 -0.331 14.235 -8.254 1.00 0.00 H new ATOM 1124 N CYS A 73 2.359 13.622 -5.619 1.00 0.00 N ATOM 1125 CA CYS A 73 2.789 14.461 -4.506 1.00 0.00 C ATOM 1126 C CYS A 73 2.978 15.906 -4.955 1.00 0.00 C ATOM 1127 O CYS A 73 3.441 16.182 -6.062 1.00 0.00 O ATOM 1128 CB CYS A 73 4.092 13.924 -3.910 1.00 0.00 C ATOM 1129 SG CYS A 73 5.481 13.909 -5.067 1.00 0.00 S ATOM 0 H CYS A 73 2.719 13.911 -6.528 1.00 0.00 H new ATOM 0 HA CYS A 73 2.011 14.436 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.360 14.530 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.923 12.910 -3.549 1.00 0.00 H new ATOM 0 HG CYS A 73 6.205 14.974 -4.889 1.00 0.00 H new ATOM 1135 N PRO A 74 2.611 16.851 -4.077 1.00 0.00 N ATOM 1136 CA PRO A 74 2.730 18.284 -4.362 1.00 0.00 C ATOM 1137 C PRO A 74 4.182 18.749 -4.404 1.00 0.00 C ATOM 1138 O PRO A 74 4.611 19.396 -5.360 1.00 0.00 O ATOM 1139 CB PRO A 74 1.993 18.941 -3.192 1.00 0.00 C ATOM 1140 CG PRO A 74 2.079 17.948 -2.085 1.00 0.00 C ATOM 1141 CD PRO A 74 2.052 16.594 -2.739 1.00 0.00 C ATOM 0 HA PRO A 74 2.321 18.540 -5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.457 19.887 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.956 19.159 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.994 18.085 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.246 18.063 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.649 15.869 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.039 16.195 -2.796 1.00 0.00 H new ATOM 1149 N LYS A 75 4.936 18.414 -3.362 1.00 0.00 N ATOM 1150 CA LYS A 75 6.341 18.795 -3.280 1.00 0.00 C ATOM 1151 C LYS A 75 7.232 17.719 -3.891 1.00 0.00 C ATOM 1152 O LYS A 75 6.781 16.608 -4.166 1.00 0.00 O ATOM 1153 CB LYS A 75 6.740 19.036 -1.822 1.00 0.00 C ATOM 1154 CG LYS A 75 6.467 17.851 -0.912 1.00 0.00 C ATOM 1155 CD LYS A 75 7.001 18.090 0.490 1.00 0.00 C ATOM 1156 CE LYS A 75 6.281 17.228 1.515 1.00 0.00 C ATOM 1157 NZ LYS A 75 4.839 17.584 1.625 1.00 0.00 N ATOM 0 H LYS A 75 4.597 17.879 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 75 6.476 19.717 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.802 19.278 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.200 19.905 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.394 17.665 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.928 16.956 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.069 17.872 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.884 19.142 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.376 16.178 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.759 17.345 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.490 17.330 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.721 18.606 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.297 17.064 0.905 1.00 0.00 H new ATOM 1171 N SER A 76 8.501 18.057 -4.100 1.00 0.00 N ATOM 1172 CA SER A 76 9.456 17.120 -4.681 1.00 0.00 C ATOM 1173 C SER A 76 9.332 15.746 -4.031 1.00 0.00 C ATOM 1174 O SER A 76 9.005 14.762 -4.694 1.00 0.00 O ATOM 1175 CB SER A 76 10.883 17.648 -4.519 1.00 0.00 C ATOM 1176 OG SER A 76 11.720 17.180 -5.562 1.00 0.00 O ATOM 0 H SER A 76 8.891 18.972 -3.876 1.00 0.00 H new ATOM 0 HA SER A 76 9.232 17.021 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.873 18.738 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.284 17.332 -3.556 1.00 0.00 H new ATOM 0 HG SER A 76 12.626 17.532 -5.437 1.00 0.00 H new ATOM 1182 N GLU A 77 9.596 15.688 -2.730 1.00 0.00 N ATOM 1183 CA GLU A 77 9.516 14.434 -1.990 1.00 0.00 C ATOM 1184 C GLU A 77 8.728 14.615 -0.695 1.00 0.00 C ATOM 1185 O GLU A 77 8.562 15.734 -0.208 1.00 0.00 O ATOM 1186 CB GLU A 77 10.919 13.909 -1.677 1.00 0.00 C ATOM 1187 CG GLU A 77 11.659 14.734 -0.637 1.00 0.00 C ATOM 1188 CD GLU A 77 13.162 14.708 -0.834 1.00 0.00 C ATOM 1189 OE1 GLU A 77 13.608 14.750 -2.000 1.00 0.00 O ATOM 1190 OE2 GLU A 77 13.892 14.646 0.177 1.00 0.00 O ATOM 0 H GLU A 77 9.867 16.494 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 77 8.995 13.707 -2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.843 12.880 -1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.504 13.889 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.308 15.765 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.420 14.357 0.358 1.00 0.00 H new ATOM 1197 N VAL A 78 8.245 13.507 -0.143 1.00 0.00 N ATOM 1198 CA VAL A 78 7.475 13.542 1.094 1.00 0.00 C ATOM 1199 C VAL A 78 7.860 12.389 2.014 1.00 0.00 C ATOM 1200 O VAL A 78 8.261 11.320 1.552 1.00 0.00 O ATOM 1201 CB VAL A 78 5.962 13.480 0.816 1.00 0.00 C ATOM 1202 CG1 VAL A 78 5.659 12.451 -0.262 1.00 0.00 C ATOM 1203 CG2 VAL A 78 5.198 13.165 2.094 1.00 0.00 C ATOM 0 H VAL A 78 8.373 12.573 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 78 7.708 14.487 1.584 1.00 0.00 H new ATOM 0 HB VAL A 78 5.636 14.456 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.585 12.421 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.176 12.724 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.998 11.469 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.130 13.125 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.526 12.202 2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.390 13.942 2.834 1.00 0.00 H new ATOM 1213 N ARG A 79 7.735 12.612 3.318 1.00 0.00 N ATOM 1214 CA ARG A 79 8.070 11.591 4.304 1.00 0.00 C ATOM 1215 C ARG A 79 6.828 11.146 5.070 1.00 0.00 C ATOM 1216 O ARG A 79 6.093 11.971 5.613 1.00 0.00 O ATOM 1217 CB ARG A 79 9.123 12.120 5.280 1.00 0.00 C ATOM 1218 CG ARG A 79 10.552 11.880 4.823 1.00 0.00 C ATOM 1219 CD ARG A 79 11.496 12.943 5.364 1.00 0.00 C ATOM 1220 NE ARG A 79 12.888 12.503 5.339 1.00 0.00 N ATOM 1221 CZ ARG A 79 13.864 13.111 6.004 1.00 0.00 C ATOM 1222 NH1 ARG A 79 13.600 14.180 6.744 1.00 0.00 N ATOM 1223 NH2 ARG A 79 15.106 12.651 5.931 1.00 0.00 N ATOM 0 H ARG A 79 7.404 13.491 3.717 1.00 0.00 H new ATOM 0 HA ARG A 79 8.476 10.729 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.970 13.190 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.977 11.647 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.881 10.896 5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.591 11.877 3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.393 13.853 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.213 13.192 6.387 1.00 0.00 H new ATOM 0 HE ARG A 79 13.124 11.683 4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.646 14.536 6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.351 14.645 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.313 11.829 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.854 13.119 6.442 1.00 0.00 H new ATOM 1237 N ALA A 80 6.600 9.838 5.109 1.00 0.00 N ATOM 1238 CA ALA A 80 5.448 9.283 5.810 1.00 0.00 C ATOM 1239 C ALA A 80 5.718 7.853 6.264 1.00 0.00 C ATOM 1240 O ALA A 80 6.625 7.190 5.759 1.00 0.00 O ATOM 1241 CB ALA A 80 4.215 9.333 4.920 1.00 0.00 C ATOM 0 H ALA A 80 7.198 9.142 4.663 1.00 0.00 H new ATOM 0 HA ALA A 80 5.267 9.889 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.362 8.916 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.003 10.368 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.395 8.752 4.016 1.00 0.00 H new ATOM 1247 N LYS A 81 4.926 7.381 7.221 1.00 0.00 N ATOM 1248 CA LYS A 81 5.078 6.029 7.743 1.00 0.00 C ATOM 1249 C LYS A 81 3.912 5.145 7.313 1.00 0.00 C ATOM 1250 O LYS A 81 2.753 5.445 7.601 1.00 0.00 O ATOM 1251 CB LYS A 81 5.174 6.058 9.270 1.00 0.00 C ATOM 1252 CG LYS A 81 6.381 6.819 9.790 1.00 0.00 C ATOM 1253 CD LYS A 81 6.223 7.181 11.258 1.00 0.00 C ATOM 1254 CE LYS A 81 7.253 8.212 11.692 1.00 0.00 C ATOM 1255 NZ LYS A 81 7.411 8.249 13.172 1.00 0.00 N ATOM 0 H LYS A 81 4.172 7.916 7.651 1.00 0.00 H new ATOM 0 HA LYS A 81 5.998 5.610 7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.268 6.510 9.674 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.212 5.034 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.278 6.214 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.520 7.727 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.220 7.572 11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.326 6.284 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.213 7.983 11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.954 9.197 11.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.122 8.964 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.501 8.493 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.721 7.316 13.511 1.00 0.00 H new ATOM 1269 N PHE A 82 4.226 4.053 6.623 1.00 0.00 N ATOM 1270 CA PHE A 82 3.204 3.125 6.153 1.00 0.00 C ATOM 1271 C PHE A 82 3.213 1.843 6.980 1.00 0.00 C ATOM 1272 O PHE A 82 4.257 1.416 7.473 1.00 0.00 O ATOM 1273 CB PHE A 82 3.425 2.795 4.676 1.00 0.00 C ATOM 1274 CG PHE A 82 4.793 2.249 4.382 1.00 0.00 C ATOM 1275 CD1 PHE A 82 5.889 3.093 4.308 1.00 0.00 C ATOM 1276 CD2 PHE A 82 4.982 0.891 4.179 1.00 0.00 C ATOM 1277 CE1 PHE A 82 7.148 2.593 4.037 1.00 0.00 C ATOM 1278 CE2 PHE A 82 6.240 0.385 3.908 1.00 0.00 C ATOM 1279 CZ PHE A 82 7.324 1.237 3.838 1.00 0.00 C ATOM 0 H PHE A 82 5.180 3.789 6.377 1.00 0.00 H new ATOM 0 HA PHE A 82 2.232 3.604 6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.677 2.069 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.267 3.696 4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.758 4.154 4.464 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.137 0.220 4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.994 3.262 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.374 -0.675 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.308 0.844 3.628 1.00 0.00 H new ATOM 1289 N LYS A 83 2.042 1.233 7.126 1.00 0.00 N ATOM 1290 CA LYS A 83 1.912 -0.002 7.892 1.00 0.00 C ATOM 1291 C LYS A 83 0.932 -0.958 7.220 1.00 0.00 C ATOM 1292 O LYS A 83 -0.218 -0.602 6.960 1.00 0.00 O ATOM 1293 CB LYS A 83 1.447 0.304 9.317 1.00 0.00 C ATOM 1294 CG LYS A 83 1.428 -0.913 10.226 1.00 0.00 C ATOM 1295 CD LYS A 83 0.093 -1.635 10.162 1.00 0.00 C ATOM 1296 CE LYS A 83 -0.984 -0.884 10.931 1.00 0.00 C ATOM 1297 NZ LYS A 83 -2.343 -1.147 10.381 1.00 0.00 N ATOM 0 H LYS A 83 1.169 1.573 6.724 1.00 0.00 H new ATOM 0 HA LYS A 83 2.890 -0.481 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.103 1.060 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.446 0.734 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.227 -1.596 9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.627 -0.605 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.212 -1.747 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.201 -2.639 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.953 -1.178 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.778 0.186 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.059 -0.914 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.495 -0.559 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.425 -2.151 10.123 1.00 0.00 H new ATOM 1311 N PHE A 84 1.393 -2.173 6.944 1.00 0.00 N ATOM 1312 CA PHE A 84 0.556 -3.181 6.303 1.00 0.00 C ATOM 1313 C PHE A 84 0.039 -4.189 7.326 1.00 0.00 C ATOM 1314 O PHE A 84 0.794 -4.683 8.163 1.00 0.00 O ATOM 1315 CB PHE A 84 1.341 -3.906 5.209 1.00 0.00 C ATOM 1316 CG PHE A 84 2.009 -2.977 4.235 1.00 0.00 C ATOM 1317 CD1 PHE A 84 1.292 -1.964 3.620 1.00 0.00 C ATOM 1318 CD2 PHE A 84 3.355 -3.117 3.936 1.00 0.00 C ATOM 1319 CE1 PHE A 84 1.904 -1.108 2.724 1.00 0.00 C ATOM 1320 CE2 PHE A 84 3.972 -2.264 3.042 1.00 0.00 C ATOM 1321 CZ PHE A 84 3.245 -1.258 2.434 1.00 0.00 C ATOM 0 H PHE A 84 2.342 -2.484 7.154 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.298 -2.675 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.098 -4.538 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.665 -4.566 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.242 -1.842 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.928 -3.902 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.333 -0.322 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.022 -2.383 2.818 1.00 0.00 H new ATOM 0 HZ PHE A 84 3.725 -0.591 1.734 1.00 0.00 H new ATOM 1331 N SER A 85 -1.255 -4.487 7.252 1.00 0.00 N ATOM 1332 CA SER A 85 -1.875 -5.432 8.173 1.00 0.00 C ATOM 1333 C SER A 85 -3.007 -6.193 7.491 1.00 0.00 C ATOM 1334 O SER A 85 -3.460 -5.815 6.410 1.00 0.00 O ATOM 1335 CB SER A 85 -2.408 -4.700 9.406 1.00 0.00 C ATOM 1336 OG SER A 85 -3.313 -3.674 9.038 1.00 0.00 O ATOM 0 H SER A 85 -1.893 -4.088 6.564 1.00 0.00 H new ATOM 0 HA SER A 85 -1.115 -6.149 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.907 -5.409 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.577 -4.272 9.967 1.00 0.00 H new ATOM 0 HG SER A 85 -2.927 -3.143 8.310 1.00 0.00 H new ATOM 1342 N ILE A 86 -3.460 -7.266 8.130 1.00 0.00 N ATOM 1343 CA ILE A 86 -4.540 -8.080 7.585 1.00 0.00 C ATOM 1344 C ILE A 86 -5.634 -8.307 8.623 1.00 0.00 C ATOM 1345 O ILE A 86 -5.354 -8.671 9.767 1.00 0.00 O ATOM 1346 CB ILE A 86 -4.024 -9.445 7.093 1.00 0.00 C ATOM 1347 CG1 ILE A 86 -2.959 -9.251 6.011 1.00 0.00 C ATOM 1348 CG2 ILE A 86 -5.175 -10.287 6.565 1.00 0.00 C ATOM 1349 CD1 ILE A 86 -1.934 -10.363 5.968 1.00 0.00 C ATOM 0 H ILE A 86 -3.096 -7.592 9.025 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.953 -7.531 6.739 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.571 -9.971 7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.448 -9.180 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.448 -8.303 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.794 -11.249 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.903 -10.448 7.360 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.654 -9.768 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.210 -10.160 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.419 -10.420 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.434 -11.311 5.768 1.00 0.00 H new ATOM 1361 N LEU A 87 -6.881 -8.093 8.218 1.00 0.00 N ATOM 1362 CA LEU A 87 -8.018 -8.276 9.112 1.00 0.00 C ATOM 1363 C LEU A 87 -8.615 -9.671 8.956 1.00 0.00 C ATOM 1364 O LEU A 87 -9.208 -9.992 7.927 1.00 0.00 O ATOM 1365 CB LEU A 87 -9.087 -7.218 8.833 1.00 0.00 C ATOM 1366 CG LEU A 87 -8.705 -5.774 9.161 1.00 0.00 C ATOM 1367 CD1 LEU A 87 -9.942 -4.960 9.507 1.00 0.00 C ATOM 1368 CD2 LEU A 87 -7.701 -5.735 10.304 1.00 0.00 C ATOM 0 H LEU A 87 -7.130 -7.792 7.276 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.664 -8.165 10.137 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.355 -7.271 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.981 -7.474 9.402 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.240 -5.332 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.651 -3.935 9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -10.627 -4.960 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.437 -5.400 10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.440 -4.700 10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.140 -6.195 11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.803 -6.282 10.018 1.00 0.00 H new ATOM 1380 N ASN A 88 -8.453 -10.497 9.985 1.00 0.00 N ATOM 1381 CA ASN A 88 -8.977 -11.858 9.963 1.00 0.00 C ATOM 1382 C ASN A 88 -10.502 -11.853 9.926 1.00 0.00 C ATOM 1383 O ASN A 88 -11.128 -10.798 9.826 1.00 0.00 O ATOM 1384 CB ASN A 88 -8.487 -12.635 11.186 1.00 0.00 C ATOM 1385 CG ASN A 88 -9.367 -12.415 12.401 1.00 0.00 C ATOM 1386 OD1 ASN A 88 -10.075 -13.322 12.841 1.00 0.00 O ATOM 1387 ND2 ASN A 88 -9.327 -11.206 12.949 1.00 0.00 N ATOM 0 H ASN A 88 -7.963 -10.248 10.844 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.611 -12.347 9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.458 -13.699 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.466 -12.332 11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.898 -10.998 13.768 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.725 -10.485 12.551 1.00 0.00 H new ATOM 1394 N ALA A 89 -11.094 -13.040 10.009 1.00 0.00 N ATOM 1395 CA ALA A 89 -12.546 -13.173 9.989 1.00 0.00 C ATOM 1396 C ALA A 89 -13.194 -12.276 11.038 1.00 0.00 C ATOM 1397 O ALA A 89 -14.280 -11.737 10.824 1.00 0.00 O ATOM 1398 CB ALA A 89 -12.946 -14.624 10.212 1.00 0.00 C ATOM 0 H ALA A 89 -10.591 -13.923 10.091 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.902 -12.856 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.033 -14.709 10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.521 -15.244 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.571 -14.960 11.179 1.00 0.00 H new ATOM 1404 N LYS A 90 -12.522 -12.120 12.174 1.00 0.00 N ATOM 1405 CA LYS A 90 -13.031 -11.288 13.257 1.00 0.00 C ATOM 1406 C LYS A 90 -12.693 -9.820 13.021 1.00 0.00 C ATOM 1407 O LYS A 90 -12.791 -8.996 13.929 1.00 0.00 O ATOM 1408 CB LYS A 90 -12.450 -11.747 14.597 1.00 0.00 C ATOM 1409 CG LYS A 90 -13.092 -13.013 15.137 1.00 0.00 C ATOM 1410 CD LYS A 90 -12.404 -14.259 14.604 1.00 0.00 C ATOM 1411 CE LYS A 90 -13.372 -15.426 14.492 1.00 0.00 C ATOM 1412 NZ LYS A 90 -14.396 -15.198 13.436 1.00 0.00 N ATOM 0 H LYS A 90 -11.622 -12.560 12.368 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.116 -11.393 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.379 -11.914 14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.571 -10.948 15.329 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.046 -13.009 16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.147 -13.033 14.862 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.973 -14.047 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.580 -14.531 15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.817 -16.338 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.867 -15.580 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.346 -15.331 13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.307 -14.229 13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.251 -15.875 12.660 1.00 0.00 H new ATOM 1426 N GLY A 91 -12.296 -9.499 11.793 1.00 0.00 N ATOM 1427 CA GLY A 91 -11.952 -8.129 11.459 1.00 0.00 C ATOM 1428 C GLY A 91 -10.862 -7.571 12.354 1.00 0.00 C ATOM 1429 O GLY A 91 -10.746 -6.357 12.517 1.00 0.00 O ATOM 0 H GLY A 91 -12.207 -10.163 11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.625 -8.083 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.841 -7.504 11.541 1.00 0.00 H new ATOM 1433 N GLU A 92 -10.063 -8.460 12.935 1.00 0.00 N ATOM 1434 CA GLU A 92 -8.979 -8.048 13.820 1.00 0.00 C ATOM 1435 C GLU A 92 -7.637 -8.096 13.095 1.00 0.00 C ATOM 1436 O GLU A 92 -7.365 -9.023 12.334 1.00 0.00 O ATOM 1437 CB GLU A 92 -8.934 -8.945 15.059 1.00 0.00 C ATOM 1438 CG GLU A 92 -10.263 -9.040 15.790 1.00 0.00 C ATOM 1439 CD GLU A 92 -10.116 -9.581 17.199 1.00 0.00 C ATOM 1440 OE1 GLU A 92 -9.955 -10.811 17.348 1.00 0.00 O ATOM 1441 OE2 GLU A 92 -10.163 -8.776 18.152 1.00 0.00 O ATOM 0 H GLU A 92 -10.145 -9.469 12.809 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.168 -7.020 14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.620 -9.946 14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.178 -8.564 15.745 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.723 -8.053 15.830 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.938 -9.684 15.226 1.00 0.00 H new ATOM 1448 N GLU A 93 -6.804 -7.089 13.338 1.00 0.00 N ATOM 1449 CA GLU A 93 -5.492 -7.015 12.707 1.00 0.00 C ATOM 1450 C GLU A 93 -4.669 -8.263 13.016 1.00 0.00 C ATOM 1451 O GLU A 93 -4.603 -8.710 14.162 1.00 0.00 O ATOM 1452 CB GLU A 93 -4.743 -5.767 13.180 1.00 0.00 C ATOM 1453 CG GLU A 93 -5.005 -4.540 12.324 1.00 0.00 C ATOM 1454 CD GLU A 93 -4.870 -3.246 13.103 1.00 0.00 C ATOM 1455 OE1 GLU A 93 -5.880 -2.794 13.682 1.00 0.00 O ATOM 1456 OE2 GLU A 93 -3.755 -2.684 13.133 1.00 0.00 O ATOM 0 H GLU A 93 -7.014 -6.314 13.967 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.639 -6.955 11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.029 -5.550 14.209 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.673 -5.975 13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.307 -4.530 11.487 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.008 -4.603 11.902 1.00 0.00 H new ATOM 1463 N THR A 94 -4.043 -8.822 11.985 1.00 0.00 N ATOM 1464 CA THR A 94 -3.226 -10.018 12.144 1.00 0.00 C ATOM 1465 C THR A 94 -2.151 -10.098 11.067 1.00 0.00 C ATOM 1466 O THR A 94 -2.338 -9.611 9.951 1.00 0.00 O ATOM 1467 CB THR A 94 -4.085 -11.296 12.092 1.00 0.00 C ATOM 1468 OG1 THR A 94 -3.348 -12.403 12.623 1.00 0.00 O ATOM 1469 CG2 THR A 94 -4.512 -11.602 10.665 1.00 0.00 C ATOM 0 H THR A 94 -4.087 -8.465 11.031 1.00 0.00 H new ATOM 0 HA THR A 94 -2.751 -9.948 13.122 1.00 0.00 H new ATOM 0 HB THR A 94 -4.978 -11.133 12.695 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.901 -13.211 12.588 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.117 -12.508 10.653 1.00 0.00 H new ATOM 0 HG22 THR A 94 -5.097 -10.770 10.274 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.628 -11.748 10.044 1.00 0.00 H new ATOM 1477 N LYS A 95 -1.024 -10.714 11.406 1.00 0.00 N ATOM 1478 CA LYS A 95 0.082 -10.860 10.467 1.00 0.00 C ATOM 1479 C LYS A 95 0.425 -9.522 9.819 1.00 0.00 C ATOM 1480 O LYS A 95 0.536 -9.424 8.597 1.00 0.00 O ATOM 1481 CB LYS A 95 -0.270 -11.886 9.387 1.00 0.00 C ATOM 1482 CG LYS A 95 -1.111 -13.043 9.899 1.00 0.00 C ATOM 1483 CD LYS A 95 -0.325 -13.921 10.859 1.00 0.00 C ATOM 1484 CE LYS A 95 0.400 -15.039 10.126 1.00 0.00 C ATOM 1485 NZ LYS A 95 1.662 -14.562 9.496 1.00 0.00 N ATOM 0 H LYS A 95 -0.852 -11.121 12.325 1.00 0.00 H new ATOM 0 HA LYS A 95 0.953 -11.210 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.808 -11.384 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.651 -12.279 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.997 -12.656 10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.458 -13.642 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.398 -13.312 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.001 -14.349 11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.625 -15.845 10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.254 -15.455 9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.589 -14.650 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.821 -13.566 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.459 -15.137 9.837 1.00 0.00 H new ATOM 1499 N ALA A 96 0.593 -8.495 10.646 1.00 0.00 N ATOM 1500 CA ALA A 96 0.928 -7.165 10.153 1.00 0.00 C ATOM 1501 C ALA A 96 2.409 -6.863 10.350 1.00 0.00 C ATOM 1502 O ALA A 96 3.071 -7.474 11.188 1.00 0.00 O ATOM 1503 CB ALA A 96 0.076 -6.115 10.851 1.00 0.00 C ATOM 0 H ALA A 96 0.503 -8.559 11.660 1.00 0.00 H new ATOM 0 HA ALA A 96 0.718 -7.137 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.336 -5.126 10.474 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.978 -6.313 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.259 -6.153 11.925 1.00 0.00 H new ATOM 1509 N MET A 97 2.924 -5.917 9.571 1.00 0.00 N ATOM 1510 CA MET A 97 4.329 -5.534 9.661 1.00 0.00 C ATOM 1511 C MET A 97 4.474 -4.019 9.759 1.00 0.00 C ATOM 1512 O MET A 97 3.857 -3.277 8.995 1.00 0.00 O ATOM 1513 CB MET A 97 5.100 -6.055 8.446 1.00 0.00 C ATOM 1514 CG MET A 97 4.960 -7.554 8.235 1.00 0.00 C ATOM 1515 SD MET A 97 6.372 -8.267 7.369 1.00 0.00 S ATOM 1516 CE MET A 97 6.502 -7.162 5.966 1.00 0.00 C ATOM 0 H MET A 97 2.390 -5.402 8.871 1.00 0.00 H new ATOM 0 HA MET A 97 4.745 -5.980 10.565 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.749 -5.536 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 97 6.156 -5.810 8.563 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.846 -8.044 9.202 1.00 0.00 H new ATOM 0 HG3 MET A 97 4.051 -7.754 7.667 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.287 -7.514 5.297 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.552 -7.140 5.431 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.746 -6.158 6.315 1.00 0.00 H new ATOM 1526 N GLU A 98 5.293 -3.567 10.703 1.00 0.00 N ATOM 1527 CA GLU A 98 5.517 -2.140 10.900 1.00 0.00 C ATOM 1528 C GLU A 98 6.899 -1.732 10.397 1.00 0.00 C ATOM 1529 O GLU A 98 7.728 -2.581 10.069 1.00 0.00 O ATOM 1530 CB GLU A 98 5.373 -1.778 12.380 1.00 0.00 C ATOM 1531 CG GLU A 98 3.957 -1.930 12.909 1.00 0.00 C ATOM 1532 CD GLU A 98 3.789 -1.352 14.301 1.00 0.00 C ATOM 1533 OE1 GLU A 98 4.486 -1.819 15.225 1.00 0.00 O ATOM 1534 OE2 GLU A 98 2.960 -0.433 14.465 1.00 0.00 O ATOM 0 H GLU A 98 5.812 -4.168 11.343 1.00 0.00 H new ATOM 0 HA GLU A 98 4.766 -1.597 10.326 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.041 -2.409 12.966 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.698 -0.748 12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.264 -1.436 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.690 -2.987 12.924 1.00 0.00 H new ATOM 1541 N SER A 99 7.139 -0.426 10.340 1.00 0.00 N ATOM 1542 CA SER A 99 8.419 0.096 9.873 1.00 0.00 C ATOM 1543 C SER A 99 9.148 0.830 10.995 1.00 0.00 C ATOM 1544 O SER A 99 8.539 1.230 11.987 1.00 0.00 O ATOM 1545 CB SER A 99 8.207 1.038 8.686 1.00 0.00 C ATOM 1546 OG SER A 99 8.021 0.309 7.485 1.00 0.00 O ATOM 0 H SER A 99 6.465 0.290 10.611 1.00 0.00 H new ATOM 0 HA SER A 99 9.033 -0.747 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.338 1.670 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.067 1.700 8.584 1.00 0.00 H new ATOM 0 HG SER A 99 7.886 0.933 6.741 1.00 0.00 H new ATOM 1552 N GLN A 100 10.455 1.002 10.829 1.00 0.00 N ATOM 1553 CA GLN A 100 11.268 1.687 11.827 1.00 0.00 C ATOM 1554 C GLN A 100 11.058 3.196 11.758 1.00 0.00 C ATOM 1555 O GLN A 100 10.526 3.801 12.689 1.00 0.00 O ATOM 1556 CB GLN A 100 12.747 1.356 11.625 1.00 0.00 C ATOM 1557 CG GLN A 100 13.208 0.131 12.398 1.00 0.00 C ATOM 1558 CD GLN A 100 14.692 0.158 12.705 1.00 0.00 C ATOM 1559 OE1 GLN A 100 15.252 1.207 13.028 1.00 0.00 O ATOM 1560 NE2 GLN A 100 15.339 -0.997 12.605 1.00 0.00 N ATOM 0 H GLN A 100 10.974 0.677 10.013 1.00 0.00 H new ATOM 0 HA GLN A 100 10.957 1.340 12.812 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.933 1.196 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.347 2.214 11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.649 0.064 13.331 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.976 -0.765 11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.836 -1.842 12.334 1.00 0.00 H new ATOM 0 HE22 GLN A 100 16.339 -1.040 12.799 1.00 0.00 H new ATOM 1569 N ARG A 101 11.479 3.797 10.650 1.00 0.00 N ATOM 1570 CA ARG A 101 11.338 5.236 10.461 1.00 0.00 C ATOM 1571 C ARG A 101 10.857 5.553 9.048 1.00 0.00 C ATOM 1572 O ARG A 101 11.277 4.918 8.081 1.00 0.00 O ATOM 1573 CB ARG A 101 12.670 5.939 10.728 1.00 0.00 C ATOM 1574 CG ARG A 101 12.523 7.414 11.067 1.00 0.00 C ATOM 1575 CD ARG A 101 13.758 8.204 10.662 1.00 0.00 C ATOM 1576 NE ARG A 101 13.671 9.602 11.074 1.00 0.00 N ATOM 1577 CZ ARG A 101 13.020 10.533 10.384 1.00 0.00 C ATOM 1578 NH1 ARG A 101 12.402 10.215 9.255 1.00 0.00 N ATOM 1579 NH2 ARG A 101 12.987 11.784 10.824 1.00 0.00 N ATOM 0 H ARG A 101 11.920 3.310 9.870 1.00 0.00 H new ATOM 0 HA ARG A 101 10.594 5.600 11.170 1.00 0.00 H new ATOM 0 HB2 ARG A 101 13.179 5.435 11.550 1.00 0.00 H new ATOM 0 HB3 ARG A 101 13.307 5.839 9.849 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.648 7.820 10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.352 7.527 12.138 1.00 0.00 H new ATOM 0 HD2 ARG A 101 14.642 7.749 11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 101 13.884 8.152 9.581 1.00 0.00 H new ATOM 0 HE ARG A 101 14.135 9.879 11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.425 9.254 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.903 10.931 8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.461 12.032 11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.487 12.498 10.294 1.00 0.00 H new ATOM 1593 N ALA A 102 9.974 6.540 8.937 1.00 0.00 N ATOM 1594 CA ALA A 102 9.437 6.943 7.644 1.00 0.00 C ATOM 1595 C ALA A 102 10.537 7.006 6.589 1.00 0.00 C ATOM 1596 O ALA A 102 11.684 7.335 6.892 1.00 0.00 O ATOM 1597 CB ALA A 102 8.737 8.289 7.759 1.00 0.00 C ATOM 0 H ALA A 102 9.615 7.075 9.728 1.00 0.00 H new ATOM 0 HA ALA A 102 8.710 6.193 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.341 8.577 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.919 8.214 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.449 9.041 8.098 1.00 0.00 H new ATOM 1603 N TYR A 103 10.180 6.687 5.349 1.00 0.00 N ATOM 1604 CA TYR A 103 11.137 6.704 4.250 1.00 0.00 C ATOM 1605 C TYR A 103 10.869 7.878 3.312 1.00 0.00 C ATOM 1606 O TYR A 103 9.772 8.436 3.297 1.00 0.00 O ATOM 1607 CB TYR A 103 11.074 5.390 3.470 1.00 0.00 C ATOM 1608 CG TYR A 103 11.606 4.203 4.241 1.00 0.00 C ATOM 1609 CD1 TYR A 103 11.080 3.863 5.482 1.00 0.00 C ATOM 1610 CD2 TYR A 103 12.634 3.421 3.730 1.00 0.00 C ATOM 1611 CE1 TYR A 103 11.564 2.780 6.190 1.00 0.00 C ATOM 1612 CE2 TYR A 103 13.123 2.336 4.430 1.00 0.00 C ATOM 1613 CZ TYR A 103 12.584 2.019 5.660 1.00 0.00 C ATOM 1614 OH TYR A 103 13.069 0.939 6.362 1.00 0.00 O ATOM 0 H TYR A 103 9.235 6.414 5.081 1.00 0.00 H new ATOM 0 HA TYR A 103 12.135 6.820 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 103 10.040 5.195 3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 103 11.643 5.498 2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 103 10.279 4.456 5.900 1.00 0.00 H new ATOM 0 HD2 TYR A 103 13.059 3.666 2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.145 2.531 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.923 1.739 4.017 1.00 0.00 H new ATOM 0 HH TYR A 103 13.785 0.510 5.848 1.00 0.00 H new ATOM 1624 N ARG A 104 11.880 8.246 2.532 1.00 0.00 N ATOM 1625 CA ARG A 104 11.755 9.353 1.591 1.00 0.00 C ATOM 1626 C ARG A 104 10.917 8.947 0.382 1.00 0.00 C ATOM 1627 O ARG A 104 11.415 8.310 -0.546 1.00 0.00 O ATOM 1628 CB ARG A 104 13.138 9.819 1.133 1.00 0.00 C ATOM 1629 CG ARG A 104 13.095 10.838 0.006 1.00 0.00 C ATOM 1630 CD ARG A 104 14.390 11.630 -0.078 1.00 0.00 C ATOM 1631 NE ARG A 104 14.643 12.123 -1.430 1.00 0.00 N ATOM 1632 CZ ARG A 104 15.851 12.439 -1.883 1.00 0.00 C ATOM 1633 NH1 ARG A 104 16.911 12.312 -1.097 1.00 0.00 N ATOM 1634 NH2 ARG A 104 16.000 12.881 -3.125 1.00 0.00 N ATOM 0 H ARG A 104 12.794 7.794 2.533 1.00 0.00 H new ATOM 0 HA ARG A 104 11.252 10.175 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.666 10.252 1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 104 13.714 8.953 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 104 12.917 10.328 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 104 12.259 11.520 0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 104 14.345 12.472 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.221 11.001 0.240 1.00 0.00 H new ATOM 0 HE ARG A 104 13.848 12.230 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 104 16.800 11.971 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 104 17.838 12.555 -1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 104 15.187 12.978 -3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 104 16.928 13.123 -3.472 1.00 0.00 H new ATOM 1648 N PHE A 105 9.641 9.320 0.401 1.00 0.00 N ATOM 1649 CA PHE A 105 8.733 8.994 -0.692 1.00 0.00 C ATOM 1650 C PHE A 105 8.789 10.061 -1.782 1.00 0.00 C ATOM 1651 O PHE A 105 9.032 11.236 -1.504 1.00 0.00 O ATOM 1652 CB PHE A 105 7.302 8.856 -0.170 1.00 0.00 C ATOM 1653 CG PHE A 105 6.979 7.480 0.338 1.00 0.00 C ATOM 1654 CD1 PHE A 105 7.049 6.382 -0.503 1.00 0.00 C ATOM 1655 CD2 PHE A 105 6.606 7.285 1.658 1.00 0.00 C ATOM 1656 CE1 PHE A 105 6.753 5.114 -0.039 1.00 0.00 C ATOM 1657 CE2 PHE A 105 6.309 6.020 2.129 1.00 0.00 C ATOM 1658 CZ PHE A 105 6.382 4.933 1.279 1.00 0.00 C ATOM 0 H PHE A 105 9.213 9.848 1.161 1.00 0.00 H new ATOM 0 HA PHE A 105 9.048 8.043 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.145 9.577 0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.606 9.112 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.339 6.518 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.547 8.131 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.812 4.266 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.020 5.881 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.149 3.944 1.645 1.00 0.00 H new ATOM 1668 N VAL A 106 8.562 9.643 -3.023 1.00 0.00 N ATOM 1669 CA VAL A 106 8.585 10.562 -4.155 1.00 0.00 C ATOM 1670 C VAL A 106 7.669 10.078 -5.274 1.00 0.00 C ATOM 1671 O VAL A 106 7.252 8.921 -5.290 1.00 0.00 O ATOM 1672 CB VAL A 106 10.011 10.731 -4.711 1.00 0.00 C ATOM 1673 CG1 VAL A 106 10.978 11.102 -3.597 1.00 0.00 C ATOM 1674 CG2 VAL A 106 10.461 9.462 -5.418 1.00 0.00 C ATOM 0 H VAL A 106 8.360 8.674 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 106 8.229 11.525 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 106 10.005 11.542 -5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.981 11.217 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.664 12.040 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.984 10.315 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.471 9.599 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.452 8.630 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.783 9.245 -6.243 1.00 0.00 H new ATOM 1684 N GLN A 107 7.362 10.972 -6.208 1.00 0.00 N ATOM 1685 CA GLN A 107 6.495 10.636 -7.331 1.00 0.00 C ATOM 1686 C GLN A 107 7.003 9.396 -8.058 1.00 0.00 C ATOM 1687 O GLN A 107 8.118 9.382 -8.578 1.00 0.00 O ATOM 1688 CB GLN A 107 6.407 11.813 -8.305 1.00 0.00 C ATOM 1689 CG GLN A 107 5.269 11.690 -9.306 1.00 0.00 C ATOM 1690 CD GLN A 107 5.659 10.897 -10.538 1.00 0.00 C ATOM 1691 OE1 GLN A 107 5.424 9.591 -10.500 1.00 0.00 O flip ATOM 1692 NE2 GLN A 107 6.166 11.452 -11.513 1.00 0.00 N flip ATOM 0 H GLN A 107 7.701 11.934 -6.209 1.00 0.00 H new ATOM 0 HA GLN A 107 5.500 10.423 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 107 6.283 12.735 -7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.349 11.897 -8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.417 11.210 -8.824 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.946 12.686 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.329 12.459 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.423 10.905 -12.335 1.00 0.00 H new ATOM 1701 N GLY A 108 6.176 8.355 -8.091 1.00 0.00 N ATOM 1702 CA GLY A 108 6.560 7.123 -8.756 1.00 0.00 C ATOM 1703 C GLY A 108 7.463 6.258 -7.900 1.00 0.00 C ATOM 1704 O GLY A 108 8.142 5.365 -8.406 1.00 0.00 O ATOM 0 H GLY A 108 5.247 8.343 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.664 6.560 -9.017 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.069 7.362 -9.690 1.00 0.00 H new ATOM 1708 N LYS A 109 7.473 6.524 -6.598 1.00 0.00 N ATOM 1709 CA LYS A 109 8.300 5.764 -5.668 1.00 0.00 C ATOM 1710 C LYS A 109 7.540 4.558 -5.125 1.00 0.00 C ATOM 1711 O LYS A 109 6.310 4.528 -5.145 1.00 0.00 O ATOM 1712 CB LYS A 109 8.756 6.657 -4.512 1.00 0.00 C ATOM 1713 CG LYS A 109 9.977 6.129 -3.780 1.00 0.00 C ATOM 1714 CD LYS A 109 11.153 5.938 -4.724 1.00 0.00 C ATOM 1715 CE LYS A 109 12.456 5.753 -3.961 1.00 0.00 C ATOM 1716 NZ LYS A 109 13.630 6.220 -4.748 1.00 0.00 N ATOM 0 H LYS A 109 6.917 7.261 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 109 9.176 5.405 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.977 7.652 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.936 6.765 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 109 10.255 6.823 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 109 9.734 5.180 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.975 5.069 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.236 6.802 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.407 6.302 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 109 12.583 4.700 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.498 6.077 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.692 5.679 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.521 7.231 -4.967 1.00 0.00 H new ATOM 1730 N ASP A 110 8.281 3.569 -4.638 1.00 0.00 N ATOM 1731 CA ASP A 110 7.676 2.362 -4.086 1.00 0.00 C ATOM 1732 C ASP A 110 8.483 1.843 -2.900 1.00 0.00 C ATOM 1733 O ASP A 110 9.679 1.578 -3.019 1.00 0.00 O ATOM 1734 CB ASP A 110 7.574 1.279 -5.162 1.00 0.00 C ATOM 1735 CG ASP A 110 8.923 0.683 -5.513 1.00 0.00 C ATOM 1736 OD1 ASP A 110 9.772 1.417 -6.062 1.00 0.00 O ATOM 1737 OD2 ASP A 110 9.130 -0.517 -5.238 1.00 0.00 O ATOM 0 H ASP A 110 9.301 3.579 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 110 6.674 2.614 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 110 6.910 0.488 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 110 7.123 1.703 -6.059 1.00 0.00 H new ATOM 1742 N TRP A 111 7.821 1.702 -1.758 1.00 0.00 N ATOM 1743 CA TRP A 111 8.478 1.216 -0.549 1.00 0.00 C ATOM 1744 C TRP A 111 7.624 0.162 0.148 1.00 0.00 C ATOM 1745 O TRP A 111 6.462 0.405 0.469 1.00 0.00 O ATOM 1746 CB TRP A 111 8.757 2.378 0.406 1.00 0.00 C ATOM 1747 CG TRP A 111 9.945 3.200 0.010 1.00 0.00 C ATOM 1748 CD1 TRP A 111 9.933 4.474 -0.482 1.00 0.00 C ATOM 1749 CD2 TRP A 111 11.320 2.805 0.070 1.00 0.00 C ATOM 1750 NE1 TRP A 111 11.217 4.894 -0.731 1.00 0.00 N ATOM 1751 CE2 TRP A 111 12.087 3.889 -0.400 1.00 0.00 C ATOM 1752 CE3 TRP A 111 11.978 1.641 0.478 1.00 0.00 C ATOM 1753 CZ2 TRP A 111 13.476 3.841 -0.474 1.00 0.00 C ATOM 1754 CZ3 TRP A 111 13.357 1.596 0.404 1.00 0.00 C ATOM 1755 CH2 TRP A 111 14.094 2.690 -0.068 1.00 0.00 C ATOM 0 H TRP A 111 6.831 1.917 -1.643 1.00 0.00 H new ATOM 0 HA TRP A 111 9.424 0.757 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 111 7.878 3.021 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 111 8.915 1.984 1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 111 9.045 5.064 -0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 111 11.480 5.807 -1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 111 11.419 0.793 0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 14.046 4.683 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 13.876 0.702 0.716 1.00 0.00 H new ATOM 0 HH2 TRP A 111 15.171 2.623 -0.112 1.00 0.00 H new ATOM 1766 N GLY A 112 8.210 -1.009 0.379 1.00 0.00 N ATOM 1767 CA GLY A 112 7.487 -2.082 1.037 1.00 0.00 C ATOM 1768 C GLY A 112 8.326 -3.336 1.192 1.00 0.00 C ATOM 1769 O GLY A 112 9.555 -3.277 1.161 1.00 0.00 O ATOM 0 H GLY A 112 9.171 -1.234 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.158 -1.745 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.590 -2.317 0.464 1.00 0.00 H new ATOM 1773 N PHE A 113 7.660 -4.474 1.360 1.00 0.00 N ATOM 1774 CA PHE A 113 8.352 -5.747 1.523 1.00 0.00 C ATOM 1775 C PHE A 113 8.026 -6.694 0.372 1.00 0.00 C ATOM 1776 O PHE A 113 7.055 -6.493 -0.357 1.00 0.00 O ATOM 1777 CB PHE A 113 7.968 -6.393 2.855 1.00 0.00 C ATOM 1778 CG PHE A 113 7.900 -5.420 3.997 1.00 0.00 C ATOM 1779 CD1 PHE A 113 6.818 -4.564 4.131 1.00 0.00 C ATOM 1780 CD2 PHE A 113 8.917 -5.360 4.936 1.00 0.00 C ATOM 1781 CE1 PHE A 113 6.754 -3.666 5.180 1.00 0.00 C ATOM 1782 CE2 PHE A 113 8.857 -4.465 5.987 1.00 0.00 C ATOM 1783 CZ PHE A 113 7.774 -3.618 6.110 1.00 0.00 C ATOM 0 H PHE A 113 6.643 -4.540 1.387 1.00 0.00 H new ATOM 0 HA PHE A 113 9.425 -5.553 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.000 -6.882 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.693 -7.171 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.016 -4.599 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.767 -6.021 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.907 -3.002 5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.657 -4.428 6.712 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.724 -2.919 6.932 1.00 0.00 H new ATOM 1793 N LYS A 114 8.846 -7.728 0.215 1.00 0.00 N ATOM 1794 CA LYS A 114 8.647 -8.709 -0.846 1.00 0.00 C ATOM 1795 C LYS A 114 7.738 -9.840 -0.377 1.00 0.00 C ATOM 1796 O LYS A 114 6.810 -10.237 -1.081 1.00 0.00 O ATOM 1797 CB LYS A 114 9.992 -9.276 -1.303 1.00 0.00 C ATOM 1798 CG LYS A 114 9.981 -9.794 -2.731 1.00 0.00 C ATOM 1799 CD LYS A 114 11.369 -10.216 -3.182 1.00 0.00 C ATOM 1800 CE LYS A 114 11.303 -11.206 -4.335 1.00 0.00 C ATOM 1801 NZ LYS A 114 12.536 -11.170 -5.169 1.00 0.00 N ATOM 0 H LYS A 114 9.655 -7.908 0.809 1.00 0.00 H new ATOM 0 HA LYS A 114 8.168 -8.207 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 114 10.753 -8.501 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 114 10.281 -10.086 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.300 -10.642 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.601 -9.019 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.936 -9.337 -3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 114 11.904 -10.665 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.160 -12.212 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.437 -10.981 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.274 -11.116 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.103 -10.337 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.093 -12.032 -5.002 1.00 0.00 H new ATOM 1815 N LYS A 115 8.011 -10.356 0.817 1.00 0.00 N ATOM 1816 CA LYS A 115 7.217 -11.440 1.382 1.00 0.00 C ATOM 1817 C LYS A 115 6.390 -10.949 2.565 1.00 0.00 C ATOM 1818 O LYS A 115 6.859 -10.942 3.703 1.00 0.00 O ATOM 1819 CB LYS A 115 8.126 -12.589 1.824 1.00 0.00 C ATOM 1820 CG LYS A 115 9.272 -12.862 0.864 1.00 0.00 C ATOM 1821 CD LYS A 115 8.882 -13.878 -0.196 1.00 0.00 C ATOM 1822 CE LYS A 115 10.107 -14.496 -0.852 1.00 0.00 C ATOM 1823 NZ LYS A 115 11.249 -13.542 -0.906 1.00 0.00 N ATOM 0 H LYS A 115 8.777 -10.040 1.412 1.00 0.00 H new ATOM 0 HA LYS A 115 6.537 -11.799 0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.534 -12.360 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 115 7.528 -13.494 1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.575 -11.932 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.135 -13.229 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.275 -14.663 0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.266 -13.396 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.404 -15.387 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.854 -14.817 -1.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.950 -13.878 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.904 -12.603 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.692 -13.477 0.033 1.00 0.00 H new ATOM 1837 N PHE A 116 5.155 -10.541 2.290 1.00 0.00 N ATOM 1838 CA PHE A 116 4.262 -10.049 3.332 1.00 0.00 C ATOM 1839 C PHE A 116 3.640 -11.207 4.106 1.00 0.00 C ATOM 1840 O PHE A 116 3.660 -11.226 5.337 1.00 0.00 O ATOM 1841 CB PHE A 116 3.161 -9.179 2.721 1.00 0.00 C ATOM 1842 CG PHE A 116 2.216 -8.606 3.738 1.00 0.00 C ATOM 1843 CD1 PHE A 116 2.684 -8.156 4.962 1.00 0.00 C ATOM 1844 CD2 PHE A 116 0.860 -8.518 3.470 1.00 0.00 C ATOM 1845 CE1 PHE A 116 1.817 -7.629 5.900 1.00 0.00 C ATOM 1846 CE2 PHE A 116 -0.013 -7.992 4.404 1.00 0.00 C ATOM 1847 CZ PHE A 116 0.467 -7.546 5.620 1.00 0.00 C ATOM 0 H PHE A 116 4.750 -10.542 1.354 1.00 0.00 H new ATOM 0 HA PHE A 116 4.849 -9.446 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 116 3.621 -8.363 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.594 -9.774 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 116 3.739 -8.218 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.480 -8.864 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.194 -7.282 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.068 -7.930 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 116 -0.212 -7.133 6.351 1.00 0.00 H new ATOM 1857 N ILE A 117 3.087 -12.170 3.376 1.00 0.00 N ATOM 1858 CA ILE A 117 2.460 -13.331 3.994 1.00 0.00 C ATOM 1859 C ILE A 117 2.090 -14.378 2.948 1.00 0.00 C ATOM 1860 O ILE A 117 1.752 -14.042 1.812 1.00 0.00 O ATOM 1861 CB ILE A 117 1.195 -12.937 4.779 1.00 0.00 C ATOM 1862 CG1 ILE A 117 0.442 -14.188 5.237 1.00 0.00 C ATOM 1863 CG2 ILE A 117 0.296 -12.053 3.926 1.00 0.00 C ATOM 1864 CD1 ILE A 117 -0.345 -13.986 6.513 1.00 0.00 C ATOM 0 H ILE A 117 3.061 -12.169 2.356 1.00 0.00 H new ATOM 0 HA ILE A 117 3.190 -13.753 4.685 1.00 0.00 H new ATOM 0 HB ILE A 117 1.494 -12.373 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.239 -14.503 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 117 1.156 -14.998 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -0.594 -11.783 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 117 0.836 -11.149 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 117 0.002 -12.594 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.853 -14.913 6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 117 0.333 -13.701 7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.083 -13.198 6.364 1.00 0.00 H new ATOM 1876 N ARG A 118 2.154 -15.646 3.339 1.00 0.00 N ATOM 1877 CA ARG A 118 1.825 -16.742 2.435 1.00 0.00 C ATOM 1878 C ARG A 118 0.392 -16.617 1.928 1.00 0.00 C ATOM 1879 O ARG A 118 -0.562 -16.748 2.695 1.00 0.00 O ATOM 1880 CB ARG A 118 2.013 -18.086 3.140 1.00 0.00 C ATOM 1881 CG ARG A 118 3.409 -18.666 2.986 1.00 0.00 C ATOM 1882 CD ARG A 118 3.465 -20.116 3.441 1.00 0.00 C ATOM 1883 NE ARG A 118 3.794 -20.232 4.859 1.00 0.00 N ATOM 1884 CZ ARG A 118 3.536 -21.313 5.588 1.00 0.00 C ATOM 1885 NH1 ARG A 118 2.948 -22.364 5.034 1.00 0.00 N ATOM 1886 NH2 ARG A 118 3.866 -21.343 6.872 1.00 0.00 N ATOM 0 H ARG A 118 2.431 -15.940 4.276 1.00 0.00 H new ATOM 0 HA ARG A 118 2.500 -16.690 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.795 -17.963 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 118 1.288 -18.798 2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.719 -18.599 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.116 -18.074 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 118 2.503 -20.593 3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 118 4.208 -20.653 2.851 1.00 0.00 H new ATOM 0 HE ARG A 118 4.247 -19.440 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 118 2.693 -22.344 4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.751 -23.193 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 118 4.318 -20.536 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.667 -22.173 7.430 1.00 0.00 H new ATOM 1900 N ARG A 119 0.248 -16.361 0.632 1.00 0.00 N ATOM 1901 CA ARG A 119 -1.068 -16.217 0.023 1.00 0.00 C ATOM 1902 C ARG A 119 -2.005 -17.330 0.482 1.00 0.00 C ATOM 1903 O ARG A 119 -3.203 -17.113 0.661 1.00 0.00 O ATOM 1904 CB ARG A 119 -0.952 -16.229 -1.503 1.00 0.00 C ATOM 1905 CG ARG A 119 -2.099 -15.522 -2.207 1.00 0.00 C ATOM 1906 CD ARG A 119 -2.204 -15.946 -3.663 1.00 0.00 C ATOM 1907 NE ARG A 119 -3.078 -17.104 -3.835 1.00 0.00 N ATOM 1908 CZ ARG A 119 -3.019 -17.920 -4.881 1.00 0.00 C ATOM 1909 NH1 ARG A 119 -2.131 -17.708 -5.843 1.00 0.00 N ATOM 1910 NH2 ARG A 119 -3.848 -18.953 -4.965 1.00 0.00 N ATOM 0 H ARG A 119 1.027 -16.249 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.485 -15.261 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -0.013 -15.756 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -0.907 -17.262 -1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.035 -15.744 -1.694 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -1.953 -14.443 -2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.584 -15.114 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.211 -16.182 -4.044 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.771 -17.296 -3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.491 -16.916 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.088 -18.337 -6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.531 -19.120 -4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.802 -19.580 -5.769 1.00 0.00 H new ATOM 1924 N ASP A 120 -1.451 -18.523 0.668 1.00 0.00 N ATOM 1925 CA ASP A 120 -2.236 -19.671 1.107 1.00 0.00 C ATOM 1926 C ASP A 120 -2.818 -19.432 2.497 1.00 0.00 C ATOM 1927 O ASP A 120 -3.931 -19.864 2.797 1.00 0.00 O ATOM 1928 CB ASP A 120 -1.373 -20.934 1.111 1.00 0.00 C ATOM 1929 CG ASP A 120 -1.827 -21.941 2.149 1.00 0.00 C ATOM 1930 OD1 ASP A 120 -3.039 -22.240 2.197 1.00 0.00 O ATOM 1931 OD2 ASP A 120 -0.971 -22.432 2.914 1.00 0.00 O ATOM 0 H ASP A 120 -0.461 -18.720 0.522 1.00 0.00 H new ATOM 0 HA ASP A 120 -3.060 -19.806 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -1.404 -21.395 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -0.335 -20.661 1.303 1.00 0.00 H new ATOM 1936 N PHE A 121 -2.057 -18.744 3.341 1.00 0.00 N ATOM 1937 CA PHE A 121 -2.496 -18.450 4.700 1.00 0.00 C ATOM 1938 C PHE A 121 -3.770 -17.610 4.690 1.00 0.00 C ATOM 1939 O PHE A 121 -4.556 -17.642 5.638 1.00 0.00 O ATOM 1940 CB PHE A 121 -1.394 -17.716 5.467 1.00 0.00 C ATOM 1941 CG PHE A 121 -1.658 -17.613 6.942 1.00 0.00 C ATOM 1942 CD1 PHE A 121 -1.357 -18.667 7.789 1.00 0.00 C ATOM 1943 CD2 PHE A 121 -2.207 -16.461 7.482 1.00 0.00 C ATOM 1944 CE1 PHE A 121 -1.598 -18.575 9.147 1.00 0.00 C ATOM 1945 CE2 PHE A 121 -2.450 -16.363 8.839 1.00 0.00 C ATOM 1946 CZ PHE A 121 -2.146 -17.421 9.672 1.00 0.00 C ATOM 0 H PHE A 121 -1.133 -18.380 3.108 1.00 0.00 H new ATOM 0 HA PHE A 121 -2.709 -19.395 5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.447 -18.233 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -1.282 -16.713 5.055 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -0.929 -19.572 7.383 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.448 -15.630 6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -1.358 -19.404 9.796 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.877 -15.459 9.247 1.00 0.00 H new ATOM 0 HZ PHE A 121 -2.336 -17.346 10.732 1.00 0.00 H new ATOM 1956 N LEU A 122 -3.966 -16.857 3.613 1.00 0.00 N ATOM 1957 CA LEU A 122 -5.144 -16.007 3.479 1.00 0.00 C ATOM 1958 C LEU A 122 -6.379 -16.836 3.143 1.00 0.00 C ATOM 1959 O LEU A 122 -7.398 -16.760 3.832 1.00 0.00 O ATOM 1960 CB LEU A 122 -4.915 -14.952 2.395 1.00 0.00 C ATOM 1961 CG LEU A 122 -4.097 -13.728 2.811 1.00 0.00 C ATOM 1962 CD1 LEU A 122 -2.608 -14.019 2.701 1.00 0.00 C ATOM 1963 CD2 LEU A 122 -4.472 -12.523 1.962 1.00 0.00 C ATOM 0 H LEU A 122 -3.325 -16.818 2.821 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.312 -15.509 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -4.415 -15.429 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.886 -14.610 2.038 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.325 -13.498 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.042 -13.137 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.351 -14.854 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.362 -14.275 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.880 -11.661 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.273 -12.741 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.531 -12.302 2.092 1.00 0.00 H new ATOM 1975 N LEU A 123 -6.282 -17.630 2.083 1.00 0.00 N ATOM 1976 CA LEU A 123 -7.391 -18.477 1.657 1.00 0.00 C ATOM 1977 C LEU A 123 -7.427 -19.773 2.461 1.00 0.00 C ATOM 1978 O LEU A 123 -8.006 -20.769 2.027 1.00 0.00 O ATOM 1979 CB LEU A 123 -7.274 -18.793 0.165 1.00 0.00 C ATOM 1980 CG LEU A 123 -7.225 -17.587 -0.775 1.00 0.00 C ATOM 1981 CD1 LEU A 123 -8.370 -16.632 -0.476 1.00 0.00 C ATOM 1982 CD2 LEU A 123 -5.887 -16.872 -0.656 1.00 0.00 C ATOM 0 H LEU A 123 -5.447 -17.705 1.502 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.319 -17.934 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -6.373 -19.387 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.120 -19.417 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.334 -17.944 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.320 -15.780 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.320 -17.149 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -8.292 -16.282 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.870 -16.017 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -5.748 -16.527 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -5.083 -17.559 -0.920 1.00 0.00 H new ATOM 1994 N ASP A 124 -6.806 -19.751 3.636 1.00 0.00 N ATOM 1995 CA ASP A 124 -6.770 -20.923 4.503 1.00 0.00 C ATOM 1996 C ASP A 124 -7.987 -20.958 5.421 1.00 0.00 C ATOM 1997 O ASP A 124 -8.617 -19.930 5.671 1.00 0.00 O ATOM 1998 CB ASP A 124 -5.487 -20.928 5.335 1.00 0.00 C ATOM 1999 CG ASP A 124 -5.050 -22.329 5.717 1.00 0.00 C ATOM 2000 OD1 ASP A 124 -5.474 -23.288 5.039 1.00 0.00 O ATOM 2001 OD2 ASP A 124 -4.285 -22.466 6.695 1.00 0.00 O ATOM 0 H ASP A 124 -6.321 -18.935 4.009 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.789 -21.812 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.690 -20.443 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -5.642 -20.339 6.239 1.00 0.00 H new ATOM 2006 N GLU A 125 -8.313 -22.146 5.920 1.00 0.00 N ATOM 2007 CA GLU A 125 -9.456 -22.314 6.809 1.00 0.00 C ATOM 2008 C GLU A 125 -9.028 -22.213 8.271 1.00 0.00 C ATOM 2009 O GLU A 125 -9.773 -21.713 9.113 1.00 0.00 O ATOM 2010 CB GLU A 125 -10.134 -23.662 6.557 1.00 0.00 C ATOM 2011 CG GLU A 125 -9.226 -24.855 6.806 1.00 0.00 C ATOM 2012 CD GLU A 125 -9.761 -26.133 6.189 1.00 0.00 C ATOM 2013 OE1 GLU A 125 -10.568 -26.818 6.852 1.00 0.00 O ATOM 2014 OE2 GLU A 125 -9.372 -26.449 5.046 1.00 0.00 O ATOM 0 H GLU A 125 -7.802 -23.006 5.724 1.00 0.00 H new ATOM 0 HA GLU A 125 -10.166 -21.514 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -11.011 -23.744 7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -10.488 -23.694 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.237 -24.645 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.105 -24.997 7.880 1.00 0.00 H new ATOM 2021 N ALA A 126 -7.823 -22.691 8.563 1.00 0.00 N ATOM 2022 CA ALA A 126 -7.295 -22.654 9.921 1.00 0.00 C ATOM 2023 C ALA A 126 -7.338 -21.239 10.488 1.00 0.00 C ATOM 2024 O ALA A 126 -7.715 -21.034 11.641 1.00 0.00 O ATOM 2025 CB ALA A 126 -5.873 -23.193 9.949 1.00 0.00 C ATOM 0 H ALA A 126 -7.194 -23.108 7.877 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.924 -23.287 10.547 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.491 -23.159 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -5.867 -24.223 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -5.240 -22.583 9.305 1.00 0.00 H new ATOM 2031 N ASN A 127 -6.949 -20.267 9.670 1.00 0.00 N ATOM 2032 CA ASN A 127 -6.942 -18.871 10.091 1.00 0.00 C ATOM 2033 C ASN A 127 -8.256 -18.186 9.727 1.00 0.00 C ATOM 2034 O ASN A 127 -8.861 -17.501 10.551 1.00 0.00 O ATOM 2035 CB ASN A 127 -5.771 -18.127 9.446 1.00 0.00 C ATOM 2036 CG ASN A 127 -4.483 -18.926 9.494 1.00 0.00 C ATOM 2037 OD1 ASN A 127 -3.880 -19.089 10.555 1.00 0.00 O ATOM 2038 ND2 ASN A 127 -4.054 -19.427 8.342 1.00 0.00 N ATOM 0 H ASN A 127 -6.635 -20.420 8.712 1.00 0.00 H new ATOM 0 HA ASN A 127 -6.827 -18.846 11.175 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -6.016 -17.899 8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.624 -17.175 9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -3.192 -19.972 8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -4.586 -19.267 7.487 1.00 0.00 H new ATOM 2045 N GLY A 128 -8.693 -18.377 8.486 1.00 0.00 N ATOM 2046 CA GLY A 128 -9.932 -17.772 8.034 1.00 0.00 C ATOM 2047 C GLY A 128 -9.794 -16.284 7.784 1.00 0.00 C ATOM 2048 O GLY A 128 -10.667 -15.500 8.158 1.00 0.00 O ATOM 0 H GLY A 128 -8.211 -18.940 7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.259 -18.262 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.709 -17.941 8.780 1.00 0.00 H new ATOM 2052 N LEU A 129 -8.693 -15.891 7.152 1.00 0.00 N ATOM 2053 CA LEU A 129 -8.442 -14.486 6.853 1.00 0.00 C ATOM 2054 C LEU A 129 -9.540 -13.913 5.964 1.00 0.00 C ATOM 2055 O LEU A 129 -9.797 -12.708 5.973 1.00 0.00 O ATOM 2056 CB LEU A 129 -7.082 -14.324 6.172 1.00 0.00 C ATOM 2057 CG LEU A 129 -5.867 -14.276 7.101 1.00 0.00 C ATOM 2058 CD1 LEU A 129 -6.097 -13.283 8.229 1.00 0.00 C ATOM 2059 CD2 LEU A 129 -5.568 -15.660 7.658 1.00 0.00 C ATOM 0 H LEU A 129 -7.960 -16.526 6.837 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.438 -13.936 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.947 -15.150 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.100 -13.407 5.583 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.004 -13.944 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.223 -13.262 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.262 -12.290 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.971 -13.584 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -4.701 -15.608 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.430 -16.020 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -5.359 -16.345 6.837 1.00 0.00 H new ATOM 2071 N LEU A 130 -10.187 -14.784 5.197 1.00 0.00 N ATOM 2072 CA LEU A 130 -11.261 -14.365 4.302 1.00 0.00 C ATOM 2073 C LEU A 130 -12.540 -15.148 4.582 1.00 0.00 C ATOM 2074 O LEU A 130 -12.761 -16.234 4.047 1.00 0.00 O ATOM 2075 CB LEU A 130 -10.840 -14.558 2.844 1.00 0.00 C ATOM 2076 CG LEU A 130 -9.674 -13.695 2.362 1.00 0.00 C ATOM 2077 CD1 LEU A 130 -8.349 -14.285 2.819 1.00 0.00 C ATOM 2078 CD2 LEU A 130 -9.704 -13.555 0.847 1.00 0.00 C ATOM 0 H LEU A 130 -9.987 -15.784 5.177 1.00 0.00 H new ATOM 0 HA LEU A 130 -11.458 -13.308 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.575 -15.605 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -11.702 -14.356 2.208 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.776 -12.702 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.530 -13.657 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -8.328 -14.332 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.238 -15.289 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.867 -12.937 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -9.627 -14.541 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -10.640 -13.086 0.543 1.00 0.00 H new ATOM 2090 N PRO A 131 -13.403 -14.584 5.440 1.00 0.00 N ATOM 2091 CA PRO A 131 -14.676 -15.211 5.809 1.00 0.00 C ATOM 2092 C PRO A 131 -15.674 -15.218 4.656 1.00 0.00 C ATOM 2093 O PRO A 131 -16.605 -16.023 4.634 1.00 0.00 O ATOM 2094 CB PRO A 131 -15.186 -14.331 6.953 1.00 0.00 C ATOM 2095 CG PRO A 131 -14.548 -13.005 6.724 1.00 0.00 C ATOM 2096 CD PRO A 131 -13.203 -13.291 6.116 1.00 0.00 C ATOM 0 HA PRO A 131 -14.551 -16.259 6.082 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -16.273 -14.255 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -14.907 -14.742 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -15.154 -12.390 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -14.444 -12.455 7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -12.905 -12.512 5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -12.423 -13.351 6.875 1.00 0.00 H new ATOM 2104 N ASP A 132 -15.473 -14.317 3.701 1.00 0.00 N ATOM 2105 CA ASP A 132 -16.356 -14.220 2.544 1.00 0.00 C ATOM 2106 C ASP A 132 -15.552 -14.211 1.247 1.00 0.00 C ATOM 2107 O ASP A 132 -16.002 -13.682 0.230 1.00 0.00 O ATOM 2108 CB ASP A 132 -17.215 -12.958 2.635 1.00 0.00 C ATOM 2109 CG ASP A 132 -18.474 -13.173 3.452 1.00 0.00 C ATOM 2110 OD1 ASP A 132 -19.222 -14.126 3.149 1.00 0.00 O ATOM 2111 OD2 ASP A 132 -18.712 -12.387 4.393 1.00 0.00 O ATOM 0 H ASP A 132 -14.707 -13.644 3.705 1.00 0.00 H new ATOM 0 HA ASP A 132 -17.008 -15.094 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -16.629 -12.154 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -17.488 -12.634 1.631 1.00 0.00 H new ATOM 2116 N ASP A 133 -14.361 -14.797 1.291 1.00 0.00 N ATOM 2117 CA ASP A 133 -13.494 -14.857 0.120 1.00 0.00 C ATOM 2118 C ASP A 133 -13.070 -13.457 -0.314 1.00 0.00 C ATOM 2119 O ASP A 133 -12.969 -13.168 -1.506 1.00 0.00 O ATOM 2120 CB ASP A 133 -14.205 -15.568 -1.032 1.00 0.00 C ATOM 2121 CG ASP A 133 -14.663 -16.963 -0.657 1.00 0.00 C ATOM 2122 OD1 ASP A 133 -15.784 -17.097 -0.121 1.00 0.00 O ATOM 2123 OD2 ASP A 133 -13.901 -17.922 -0.900 1.00 0.00 O ATOM 0 H ASP A 133 -13.973 -15.238 2.125 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.601 -15.421 0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.067 -14.977 -1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -13.533 -15.627 -1.888 1.00 0.00 H new ATOM 2128 N LYS A 134 -12.824 -12.590 0.663 1.00 0.00 N ATOM 2129 CA LYS A 134 -12.410 -11.220 0.383 1.00 0.00 C ATOM 2130 C LYS A 134 -11.238 -10.813 1.271 1.00 0.00 C ATOM 2131 O LYS A 134 -11.292 -10.960 2.493 1.00 0.00 O ATOM 2132 CB LYS A 134 -13.582 -10.259 0.596 1.00 0.00 C ATOM 2133 CG LYS A 134 -14.572 -10.729 1.647 1.00 0.00 C ATOM 2134 CD LYS A 134 -15.447 -9.589 2.139 1.00 0.00 C ATOM 2135 CE LYS A 134 -16.506 -9.215 1.112 1.00 0.00 C ATOM 2136 NZ LYS A 134 -17.120 -7.891 1.405 1.00 0.00 N ATOM 0 H LYS A 134 -12.904 -12.812 1.655 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.089 -11.169 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -13.192 -9.283 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -14.106 -10.124 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.200 -11.517 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -14.032 -11.163 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -15.930 -9.877 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -14.826 -8.720 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.058 -9.195 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -17.282 -9.980 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -17.836 -7.673 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -17.570 -7.917 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -16.383 -7.157 1.395 1.00 0.00 H new ATOM 2150 N LEU A 135 -10.182 -10.301 0.650 1.00 0.00 N ATOM 2151 CA LEU A 135 -8.997 -9.871 1.384 1.00 0.00 C ATOM 2152 C LEU A 135 -9.128 -8.418 1.828 1.00 0.00 C ATOM 2153 O LEU A 135 -9.184 -7.507 1.002 1.00 0.00 O ATOM 2154 CB LEU A 135 -7.747 -10.041 0.519 1.00 0.00 C ATOM 2155 CG LEU A 135 -6.449 -9.472 1.094 1.00 0.00 C ATOM 2156 CD1 LEU A 135 -6.246 -9.949 2.524 1.00 0.00 C ATOM 2157 CD2 LEU A 135 -5.263 -9.865 0.226 1.00 0.00 C ATOM 0 H LEU A 135 -10.122 -10.173 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 135 -8.904 -10.496 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -7.602 -11.105 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.931 -9.569 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 135 -6.523 -8.385 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -5.318 -9.535 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -7.082 -9.617 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.193 -11.038 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.348 -9.451 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.185 -10.952 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.404 -9.474 -0.782 1.00 0.00 H new ATOM 2169 N THR A 136 -9.175 -8.207 3.140 1.00 0.00 N ATOM 2170 CA THR A 136 -9.299 -6.865 3.695 1.00 0.00 C ATOM 2171 C THR A 136 -7.946 -6.332 4.152 1.00 0.00 C ATOM 2172 O THR A 136 -7.491 -6.629 5.257 1.00 0.00 O ATOM 2173 CB THR A 136 -10.277 -6.837 4.885 1.00 0.00 C ATOM 2174 OG1 THR A 136 -11.556 -7.338 4.479 1.00 0.00 O ATOM 2175 CG2 THR A 136 -10.429 -5.424 5.427 1.00 0.00 C ATOM 0 H THR A 136 -9.129 -8.949 3.838 1.00 0.00 H new ATOM 0 HA THR A 136 -9.688 -6.229 2.900 1.00 0.00 H new ATOM 0 HB THR A 136 -9.873 -7.470 5.675 1.00 0.00 H new ATOM 0 HG1 THR A 136 -12.172 -7.319 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 136 -11.124 -5.429 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 136 -9.459 -5.056 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 136 -10.813 -4.773 4.642 1.00 0.00 H new ATOM 2183 N LEU A 137 -7.307 -5.543 3.295 1.00 0.00 N ATOM 2184 CA LEU A 137 -6.004 -4.967 3.611 1.00 0.00 C ATOM 2185 C LEU A 137 -6.160 -3.621 4.310 1.00 0.00 C ATOM 2186 O LEU A 137 -6.788 -2.703 3.781 1.00 0.00 O ATOM 2187 CB LEU A 137 -5.176 -4.800 2.336 1.00 0.00 C ATOM 2188 CG LEU A 137 -4.297 -5.989 1.946 1.00 0.00 C ATOM 2189 CD1 LEU A 137 -3.931 -5.922 0.471 1.00 0.00 C ATOM 2190 CD2 LEU A 137 -3.043 -6.031 2.807 1.00 0.00 C ATOM 0 H LEU A 137 -7.670 -5.288 2.376 1.00 0.00 H new ATOM 0 HA LEU A 137 -5.486 -5.648 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -5.856 -4.590 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -4.537 -3.925 2.454 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.862 -6.905 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.305 -6.776 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -4.840 -5.942 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.385 -4.999 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -2.430 -6.884 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -2.475 -5.111 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -3.325 -6.129 3.855 1.00 0.00 H new ATOM 2202 N PHE A 138 -5.581 -3.508 5.501 1.00 0.00 N ATOM 2203 CA PHE A 138 -5.654 -2.273 6.273 1.00 0.00 C ATOM 2204 C PHE A 138 -4.300 -1.572 6.307 1.00 0.00 C ATOM 2205 O PHE A 138 -3.380 -2.007 7.001 1.00 0.00 O ATOM 2206 CB PHE A 138 -6.126 -2.565 7.699 1.00 0.00 C ATOM 2207 CG PHE A 138 -6.653 -1.354 8.416 1.00 0.00 C ATOM 2208 CD1 PHE A 138 -5.789 -0.487 9.065 1.00 0.00 C ATOM 2209 CD2 PHE A 138 -8.011 -1.084 8.441 1.00 0.00 C ATOM 2210 CE1 PHE A 138 -6.270 0.628 9.725 1.00 0.00 C ATOM 2211 CE2 PHE A 138 -8.498 0.029 9.099 1.00 0.00 C ATOM 2212 CZ PHE A 138 -7.627 0.886 9.743 1.00 0.00 C ATOM 0 H PHE A 138 -5.056 -4.257 5.952 1.00 0.00 H new ATOM 0 HA PHE A 138 -6.373 -1.613 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -6.906 -3.326 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -5.296 -2.983 8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -4.727 -0.685 9.055 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -8.697 -1.751 7.940 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -5.586 1.297 10.226 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -9.559 0.229 9.110 1.00 0.00 H new ATOM 0 HZ PHE A 138 -8.006 1.756 10.259 1.00 0.00 H new ATOM 2222 N CYS A 139 -4.184 -0.485 5.551 1.00 0.00 N ATOM 2223 CA CYS A 139 -2.941 0.277 5.493 1.00 0.00 C ATOM 2224 C CYS A 139 -3.072 1.589 6.258 1.00 0.00 C ATOM 2225 O CYS A 139 -4.083 2.282 6.153 1.00 0.00 O ATOM 2226 CB CYS A 139 -2.558 0.556 4.039 1.00 0.00 C ATOM 2227 SG CYS A 139 -0.968 1.394 3.843 1.00 0.00 S ATOM 0 H CYS A 139 -4.935 -0.112 4.970 1.00 0.00 H new ATOM 0 HA CYS A 139 -2.156 -0.318 5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -2.529 -0.388 3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -3.337 1.165 3.580 1.00 0.00 H new ATOM 0 HG CYS A 139 -0.061 0.528 3.500 1.00 0.00 H new ATOM 2233 N GLU A 140 -2.042 1.923 7.030 1.00 0.00 N ATOM 2234 CA GLU A 140 -2.044 3.152 7.815 1.00 0.00 C ATOM 2235 C GLU A 140 -0.858 4.037 7.443 1.00 0.00 C ATOM 2236 O GLU A 140 0.296 3.683 7.686 1.00 0.00 O ATOM 2237 CB GLU A 140 -2.003 2.828 9.310 1.00 0.00 C ATOM 2238 CG GLU A 140 -3.343 2.389 9.875 1.00 0.00 C ATOM 2239 CD GLU A 140 -3.510 2.759 11.336 1.00 0.00 C ATOM 2240 OE1 GLU A 140 -3.323 3.946 11.674 1.00 0.00 O ATOM 2241 OE2 GLU A 140 -3.828 1.859 12.142 1.00 0.00 O ATOM 0 H GLU A 140 -1.197 1.360 7.128 1.00 0.00 H new ATOM 0 HA GLU A 140 -2.963 3.694 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -1.270 2.040 9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.659 3.708 9.854 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.145 2.845 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.444 1.309 9.764 1.00 0.00 H new ATOM 2248 N VAL A 141 -1.151 5.190 6.850 1.00 0.00 N ATOM 2249 CA VAL A 141 -0.110 6.127 6.444 1.00 0.00 C ATOM 2250 C VAL A 141 -0.060 7.331 7.378 1.00 0.00 C ATOM 2251 O VAL A 141 -1.087 7.941 7.677 1.00 0.00 O ATOM 2252 CB VAL A 141 -0.330 6.619 5.001 1.00 0.00 C ATOM 2253 CG1 VAL A 141 0.777 7.578 4.589 1.00 0.00 C ATOM 2254 CG2 VAL A 141 -0.410 5.440 4.043 1.00 0.00 C ATOM 0 H VAL A 141 -2.101 5.498 6.640 1.00 0.00 H new ATOM 0 HA VAL A 141 0.837 5.591 6.497 1.00 0.00 H new ATOM 0 HB VAL A 141 -1.277 7.157 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 141 0.605 7.915 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 141 0.781 8.438 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.739 7.069 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -0.566 5.806 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 141 0.520 4.873 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -1.242 4.795 4.328 1.00 0.00 H new ATOM 2264 N SER A 142 1.142 7.669 7.835 1.00 0.00 N ATOM 2265 CA SER A 142 1.326 8.799 8.738 1.00 0.00 C ATOM 2266 C SER A 142 2.229 9.856 8.108 1.00 0.00 C ATOM 2267 O SER A 142 3.397 9.598 7.817 1.00 0.00 O ATOM 2268 CB SER A 142 1.923 8.327 10.065 1.00 0.00 C ATOM 2269 OG SER A 142 1.180 7.247 10.603 1.00 0.00 O ATOM 0 H SER A 142 2.002 7.177 7.595 1.00 0.00 H new ATOM 0 HA SER A 142 0.349 9.245 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.958 8.021 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 142 1.936 9.153 10.776 1.00 0.00 H new ATOM 0 HG SER A 142 1.583 6.963 11.450 1.00 0.00 H new ATOM 2275 N VAL A 143 1.678 11.048 7.901 1.00 0.00 N ATOM 2276 CA VAL A 143 2.433 12.146 7.307 1.00 0.00 C ATOM 2277 C VAL A 143 3.156 12.957 8.376 1.00 0.00 C ATOM 2278 O VAL A 143 2.530 13.517 9.275 1.00 0.00 O ATOM 2279 CB VAL A 143 1.516 13.084 6.499 1.00 0.00 C ATOM 2280 CG1 VAL A 143 2.323 14.213 5.876 1.00 0.00 C ATOM 2281 CG2 VAL A 143 0.764 12.303 5.431 1.00 0.00 C ATOM 0 H VAL A 143 0.712 11.278 8.136 1.00 0.00 H new ATOM 0 HA VAL A 143 3.167 11.700 6.636 1.00 0.00 H new ATOM 0 HB VAL A 143 0.785 13.523 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 143 1.659 14.865 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.812 14.788 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 143 3.078 13.796 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.121 12.981 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.477 11.835 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 143 0.154 11.533 5.905 1.00 0.00 H new ATOM 2291 N VAL A 144 4.480 13.016 8.271 1.00 0.00 N ATOM 2292 CA VAL A 144 5.290 13.760 9.228 1.00 0.00 C ATOM 2293 C VAL A 144 5.155 15.263 9.011 1.00 0.00 C ATOM 2294 O VAL A 144 5.326 15.756 7.897 1.00 0.00 O ATOM 2295 CB VAL A 144 6.777 13.370 9.128 1.00 0.00 C ATOM 2296 CG1 VAL A 144 6.965 11.894 9.447 1.00 0.00 C ATOM 2297 CG2 VAL A 144 7.322 13.698 7.746 1.00 0.00 C ATOM 0 H VAL A 144 5.014 12.557 7.533 1.00 0.00 H new ATOM 0 HA VAL A 144 4.921 13.504 10.221 1.00 0.00 H new ATOM 0 HB VAL A 144 7.337 13.950 9.862 1.00 0.00 H new ATOM 0 HG11 VAL A 144 8.022 11.637 9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 144 6.614 11.693 10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 144 6.394 11.293 8.739 1.00 0.00 H new ATOM 0 HG21 VAL A 144 8.374 13.416 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 144 6.760 13.146 6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.224 14.768 7.560 1.00 0.00 H new