USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 MET CE :methyl -176:sc= 0 (180deg=-0.00703) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.145) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.0447 USER MOD Single : A 25 THR OG1 : rot -170:sc= -4.41! USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.213 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.634 USER MOD Single : A 31 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.3!) USER MOD Single : A 39 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.6!) USER MOD Single : A 44 THR OG1 : rot -36:sc= 0.23 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-0.4) USER MOD Single : A 63 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-3.1!) USER MOD Single : A 65 ASN : amide:sc= -0.957 K(o=-0.96,f=-2.4) USER MOD Single : A 69 SER OG : rot -140:sc= -0.02 USER MOD Single : A 71 ASN : amide:sc= -5.34! C(o=-5.3!,f=-5.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.0362 K(o=0.036,f=-1.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -69:sc= 0.608 USER MOD Single : A 81 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.094 12.820 -4.462 1.00 0.00 N ATOM 60 CA GLY A 7 3.029 12.080 -3.810 1.00 0.00 C ATOM 61 C GLY A 7 3.206 12.012 -2.306 1.00 0.00 C ATOM 62 O GLY A 7 4.098 12.653 -1.751 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.072 12.549 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.993 11.068 -4.215 1.00 0.00 H new ATOM 66 N MET A 8 2.354 11.235 -1.646 1.00 0.00 N ATOM 67 CA MET A 8 2.421 11.087 -0.197 1.00 0.00 C ATOM 68 C MET A 8 2.764 9.651 0.188 1.00 0.00 C ATOM 69 O MET A 8 2.945 8.795 -0.677 1.00 0.00 O ATOM 70 CB MET A 8 1.092 11.495 0.441 1.00 0.00 C ATOM 71 CG MET A 8 -0.096 10.691 -0.062 1.00 0.00 C ATOM 72 SD MET A 8 -1.597 11.001 0.887 1.00 0.00 S ATOM 73 CE MET A 8 -1.312 9.964 2.319 1.00 0.00 C ATOM 0 H MET A 8 1.609 10.698 -2.091 1.00 0.00 H new ATOM 0 HA MET A 8 3.210 11.742 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.167 11.379 1.522 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.914 12.552 0.245 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.276 10.933 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.144 9.629 -0.018 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.187 9.992 2.969 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.133 8.939 1.996 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.443 10.329 2.865 1.00 0.00 H new ATOM 83 N GLU A 9 2.851 9.397 1.490 1.00 0.00 N ATOM 84 CA GLU A 9 3.173 8.064 1.987 1.00 0.00 C ATOM 85 C GLU A 9 2.017 7.494 2.804 1.00 0.00 C ATOM 86 O GLU A 9 1.288 8.232 3.469 1.00 0.00 O ATOM 87 CB GLU A 9 4.442 8.107 2.840 1.00 0.00 C ATOM 88 CG GLU A 9 4.316 8.982 4.075 1.00 0.00 C ATOM 89 CD GLU A 9 4.714 10.422 3.813 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.863 10.650 3.379 1.00 0.00 O ATOM 91 OE2 GLU A 9 3.878 11.320 4.041 1.00 0.00 O ATOM 0 H GLU A 9 2.703 10.095 2.219 1.00 0.00 H new ATOM 0 HA GLU A 9 3.343 7.415 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.697 7.093 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.268 8.472 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.287 8.953 4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.941 8.575 4.869 1.00 0.00 H new ATOM 98 N LEU A 10 1.854 6.177 2.749 1.00 0.00 N ATOM 99 CA LEU A 10 0.787 5.506 3.483 1.00 0.00 C ATOM 100 C LEU A 10 1.356 4.648 4.608 1.00 0.00 C ATOM 101 O LEU A 10 2.360 3.958 4.431 1.00 0.00 O ATOM 102 CB LEU A 10 -0.045 4.640 2.536 1.00 0.00 C ATOM 103 CG LEU A 10 -1.503 4.414 2.938 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.387 5.522 2.386 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.985 3.054 2.455 1.00 0.00 C ATOM 0 H LEU A 10 2.447 5.552 2.203 1.00 0.00 H new ATOM 0 HA LEU A 10 0.146 6.270 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.029 5.099 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.440 3.668 2.444 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.567 4.434 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.421 5.344 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.056 6.482 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.318 5.534 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.024 2.911 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.906 3.005 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.370 2.271 2.899 1.00 0.00 H new ATOM 117 N LYS A 11 0.706 4.692 5.766 1.00 0.00 N ATOM 118 CA LYS A 11 1.144 3.916 6.920 1.00 0.00 C ATOM 119 C LYS A 11 0.109 2.857 7.288 1.00 0.00 C ATOM 120 O LYS A 11 -0.990 3.180 7.741 1.00 0.00 O ATOM 121 CB LYS A 11 1.393 4.838 8.116 1.00 0.00 C ATOM 122 CG LYS A 11 2.310 6.008 7.801 1.00 0.00 C ATOM 123 CD LYS A 11 1.556 7.139 7.123 1.00 0.00 C ATOM 124 CE LYS A 11 2.302 8.459 7.248 1.00 0.00 C ATOM 125 NZ LYS A 11 2.234 9.006 8.632 1.00 0.00 N ATOM 0 H LYS A 11 -0.127 5.258 5.930 1.00 0.00 H new ATOM 0 HA LYS A 11 2.075 3.414 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.437 5.222 8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.827 4.256 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.765 6.373 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.122 5.672 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.410 6.900 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.566 7.236 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.345 8.315 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.880 9.182 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.507 10.009 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.263 8.915 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.884 8.476 9.247 1.00 0.00 H new ATOM 139 N VAL A 12 0.467 1.592 7.093 1.00 0.00 N ATOM 140 CA VAL A 12 -0.429 0.486 7.407 1.00 0.00 C ATOM 141 C VAL A 12 0.210 -0.473 8.405 1.00 0.00 C ATOM 142 O VAL A 12 1.433 -0.531 8.530 1.00 0.00 O ATOM 143 CB VAL A 12 -0.821 -0.295 6.139 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.186 0.661 5.014 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.306 -1.224 5.717 1.00 0.00 C ATOM 0 H VAL A 12 1.372 1.308 6.719 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.326 0.920 7.849 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.697 -0.903 6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.460 0.091 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.028 1.280 5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.331 1.298 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.012 -1.768 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.202 -0.639 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.513 -1.932 6.519 1.00 0.00 H new ATOM 155 N TRP A 13 -0.626 -1.224 9.113 1.00 0.00 N ATOM 156 CA TRP A 13 -0.142 -2.182 10.101 1.00 0.00 C ATOM 157 C TRP A 13 -0.105 -3.591 9.520 1.00 0.00 C ATOM 158 O TRP A 13 -1.147 -4.184 9.238 1.00 0.00 O ATOM 159 CB TRP A 13 -1.029 -2.153 11.346 1.00 0.00 C ATOM 160 CG TRP A 13 -0.830 -0.930 12.190 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.661 0.150 12.276 1.00 0.00 C ATOM 162 CD2 TRP A 13 0.271 -0.663 13.064 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.142 1.073 13.151 1.00 0.00 N ATOM 164 CE2 TRP A 13 0.042 0.598 13.649 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.428 -1.366 13.411 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.928 1.168 14.559 1.00 0.00 C ATOM 167 CZ3 TRP A 13 2.306 -0.798 14.315 1.00 0.00 C ATOM 168 CH2 TRP A 13 2.052 0.458 14.881 1.00 0.00 C ATOM 0 H TRP A 13 -1.641 -1.188 9.022 1.00 0.00 H new ATOM 0 HA TRP A 13 0.873 -1.898 10.380 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.074 -2.208 11.040 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.826 -3.038 11.949 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.589 0.262 11.736 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.569 1.968 13.391 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.632 -2.335 12.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.735 2.137 14.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.204 -1.332 14.590 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.757 0.874 15.585 1.00 0.00 H new ATOM 179 N VAL A 14 1.100 -4.122 9.343 1.00 0.00 N ATOM 180 CA VAL A 14 1.272 -5.463 8.796 1.00 0.00 C ATOM 181 C VAL A 14 1.758 -6.434 9.866 1.00 0.00 C ATOM 182 O VAL A 14 2.934 -6.433 10.232 1.00 0.00 O ATOM 183 CB VAL A 14 2.269 -5.468 7.623 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.298 -6.832 6.951 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.917 -4.378 6.621 1.00 0.00 C ATOM 0 H VAL A 14 1.972 -3.644 9.570 1.00 0.00 H new ATOM 0 HA VAL A 14 0.296 -5.784 8.434 1.00 0.00 H new ATOM 0 HB VAL A 14 3.265 -5.262 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.008 -6.815 6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.601 -7.588 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.305 -7.072 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.632 -4.396 5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.913 -4.551 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.954 -3.406 7.113 1.00 0.00 H new ATOM 195 N ASP A 15 0.847 -7.263 10.364 1.00 0.00 N ATOM 196 CA ASP A 15 1.183 -8.242 11.391 1.00 0.00 C ATOM 197 C ASP A 15 1.867 -7.570 12.578 1.00 0.00 C ATOM 198 O ASP A 15 2.739 -8.157 13.218 1.00 0.00 O ATOM 199 CB ASP A 15 2.089 -9.329 10.812 1.00 0.00 C ATOM 200 CG ASP A 15 1.541 -9.917 9.527 1.00 0.00 C ATOM 201 OD1 ASP A 15 0.313 -10.132 9.449 1.00 0.00 O ATOM 202 OD2 ASP A 15 2.339 -10.159 8.598 1.00 0.00 O ATOM 0 H ASP A 15 -0.130 -7.276 10.073 1.00 0.00 H new ATOM 0 HA ASP A 15 0.257 -8.700 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.078 -8.911 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.213 -10.124 11.548 1.00 0.00 H new ATOM 207 N GLY A 16 1.465 -6.336 12.866 1.00 0.00 N ATOM 208 CA GLY A 16 2.050 -5.605 13.975 1.00 0.00 C ATOM 209 C GLY A 16 3.277 -4.815 13.565 1.00 0.00 C ATOM 210 O GLY A 16 4.113 -4.473 14.401 1.00 0.00 O ATOM 0 H GLY A 16 0.745 -5.829 12.351 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.306 -4.925 14.391 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.320 -6.305 14.766 1.00 0.00 H new ATOM 214 N VAL A 17 3.387 -4.524 12.272 1.00 0.00 N ATOM 215 CA VAL A 17 4.521 -3.770 11.752 1.00 0.00 C ATOM 216 C VAL A 17 4.057 -2.520 11.013 1.00 0.00 C ATOM 217 O VAL A 17 3.327 -2.606 10.026 1.00 0.00 O ATOM 218 CB VAL A 17 5.377 -4.627 10.801 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.597 -3.849 10.332 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.791 -5.924 11.480 1.00 0.00 C ATOM 0 H VAL A 17 2.704 -4.799 11.566 1.00 0.00 H new ATOM 0 HA VAL A 17 5.127 -3.478 12.610 1.00 0.00 H new ATOM 0 HB VAL A 17 4.777 -4.877 9.926 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.189 -4.471 9.661 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.275 -2.951 9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.202 -3.567 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.395 -6.517 10.794 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.373 -5.697 12.373 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.901 -6.488 11.760 1.00 0.00 H new ATOM 230 N GLN A 18 4.486 -1.359 11.497 1.00 0.00 N ATOM 231 CA GLN A 18 4.114 -0.090 10.882 1.00 0.00 C ATOM 232 C GLN A 18 5.071 0.267 9.749 1.00 0.00 C ATOM 233 O GLN A 18 6.017 1.031 9.941 1.00 0.00 O ATOM 234 CB GLN A 18 4.105 1.025 11.929 1.00 0.00 C ATOM 235 CG GLN A 18 3.611 2.359 11.392 1.00 0.00 C ATOM 236 CD GLN A 18 3.392 3.384 12.488 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.317 3.731 13.222 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.164 3.874 12.603 1.00 0.00 N ATOM 0 H GLN A 18 5.091 -1.271 12.313 1.00 0.00 H new ATOM 0 HA GLN A 18 3.112 -0.196 10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.474 0.723 12.764 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.114 1.152 12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.334 2.748 10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.677 2.205 10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.427 3.557 11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.957 4.567 13.322 1.00 0.00 H new ATOM 247 N ARG A 19 4.818 -0.291 8.570 1.00 0.00 N ATOM 248 CA ARG A 19 5.658 -0.033 7.407 1.00 0.00 C ATOM 249 C ARG A 19 5.102 1.123 6.580 1.00 0.00 C ATOM 250 O ARG A 19 3.940 1.104 6.172 1.00 0.00 O ATOM 251 CB ARG A 19 5.766 -1.288 6.540 1.00 0.00 C ATOM 252 CG ARG A 19 6.155 -2.534 7.318 1.00 0.00 C ATOM 253 CD ARG A 19 6.939 -3.509 6.454 1.00 0.00 C ATOM 254 NE ARG A 19 6.117 -4.082 5.391 1.00 0.00 N ATOM 255 CZ ARG A 19 5.338 -5.145 5.557 1.00 0.00 C ATOM 256 NH1 ARG A 19 5.275 -5.748 6.736 1.00 0.00 N ATOM 257 NH2 ARG A 19 4.620 -5.608 4.541 1.00 0.00 N ATOM 0 H ARG A 19 4.038 -0.925 8.395 1.00 0.00 H new ATOM 0 HA ARG A 19 6.651 0.241 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.810 -1.462 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.503 -1.115 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.754 -2.251 8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.257 -3.023 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.795 -2.997 6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.334 -4.310 7.079 1.00 0.00 H new ATOM 0 HE ARG A 19 6.143 -3.642 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.826 -5.396 7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.676 -6.564 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.666 -5.147 3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.022 -6.424 4.669 1.00 0.00 H new ATOM 271 N ILE A 20 5.938 2.127 6.339 1.00 0.00 N ATOM 272 CA ILE A 20 5.530 3.290 5.561 1.00 0.00 C ATOM 273 C ILE A 20 5.969 3.161 4.106 1.00 0.00 C ATOM 274 O ILE A 20 7.067 2.686 3.818 1.00 0.00 O ATOM 275 CB ILE A 20 6.110 4.591 6.147 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.780 4.697 7.637 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.571 5.798 5.393 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.829 6.112 8.168 1.00 0.00 C ATOM 0 H ILE A 20 6.902 2.159 6.671 1.00 0.00 H new ATOM 0 HA ILE A 20 4.442 3.334 5.607 1.00 0.00 H new ATOM 0 HB ILE A 20 7.194 4.571 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.785 4.287 7.810 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.481 4.082 8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.990 6.710 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.852 5.726 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.485 5.824 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.584 6.111 9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.830 6.519 8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.108 6.728 7.630 1.00 0.00 H new ATOM 290 N VAL A 21 5.103 3.588 3.192 1.00 0.00 N ATOM 291 CA VAL A 21 5.402 3.523 1.767 1.00 0.00 C ATOM 292 C VAL A 21 5.179 4.874 1.096 1.00 0.00 C ATOM 293 O VAL A 21 4.045 5.253 0.802 1.00 0.00 O ATOM 294 CB VAL A 21 4.538 2.462 1.060 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.842 2.432 -0.430 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.757 1.093 1.686 1.00 0.00 C ATOM 0 H VAL A 21 4.189 3.983 3.414 1.00 0.00 H new ATOM 0 HA VAL A 21 6.452 3.245 1.677 1.00 0.00 H new ATOM 0 HB VAL A 21 3.489 2.730 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.222 1.676 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.628 3.408 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.894 2.190 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.139 0.356 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.807 0.814 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.483 1.127 2.740 1.00 0.00 H new ATOM 306 N CYS A 22 6.268 5.596 0.857 1.00 0.00 N ATOM 307 CA CYS A 22 6.192 6.906 0.220 1.00 0.00 C ATOM 308 C CYS A 22 6.319 6.783 -1.295 1.00 0.00 C ATOM 309 O CYS A 22 7.027 5.913 -1.800 1.00 0.00 O ATOM 310 CB CYS A 22 7.289 7.824 0.763 1.00 0.00 C ATOM 311 SG CYS A 22 8.966 7.195 0.519 1.00 0.00 S ATOM 0 H CYS A 22 7.214 5.297 1.095 1.00 0.00 H new ATOM 0 HA CYS A 22 5.218 7.339 0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.204 8.798 0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.123 7.980 1.829 1.00 0.00 H new ATOM 0 HG CYS A 22 9.822 8.041 1.009 1.00 0.00 H new ATOM 317 N GLY A 23 5.626 7.660 -2.015 1.00 0.00 N ATOM 318 CA GLY A 23 5.674 7.631 -3.465 1.00 0.00 C ATOM 319 C GLY A 23 4.386 7.116 -4.077 1.00 0.00 C ATOM 320 O GLY A 23 4.367 6.688 -5.231 1.00 0.00 O ATOM 0 H GLY A 23 5.033 8.390 -1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.875 8.635 -3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.503 7.000 -3.786 1.00 0.00 H new ATOM 324 N VAL A 24 3.307 7.154 -3.302 1.00 0.00 N ATOM 325 CA VAL A 24 2.009 6.686 -3.774 1.00 0.00 C ATOM 326 C VAL A 24 1.131 7.853 -4.211 1.00 0.00 C ATOM 327 O VAL A 24 1.181 8.936 -3.627 1.00 0.00 O ATOM 328 CB VAL A 24 1.273 5.882 -2.686 1.00 0.00 C ATOM 329 CG1 VAL A 24 0.646 6.817 -1.663 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.220 4.980 -3.312 1.00 0.00 C ATOM 0 H VAL A 24 3.306 7.504 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 24 2.197 6.037 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 24 1.998 5.252 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.130 6.231 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.425 7.417 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.068 7.474 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.291 4.419 -2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.504 5.588 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.699 4.286 -4.002 1.00 0.00 H new ATOM 340 N THR A 25 0.324 7.625 -5.242 1.00 0.00 N ATOM 341 CA THR A 25 -0.567 8.657 -5.759 1.00 0.00 C ATOM 342 C THR A 25 -1.986 8.126 -5.924 1.00 0.00 C ATOM 343 O THR A 25 -2.193 6.925 -6.095 1.00 0.00 O ATOM 344 CB THR A 25 -0.073 9.198 -7.114 1.00 0.00 C ATOM 345 OG1 THR A 25 0.264 8.111 -7.982 1.00 0.00 O ATOM 346 CG2 THR A 25 1.139 10.100 -6.927 1.00 0.00 C ATOM 0 H THR A 25 0.269 6.734 -5.736 1.00 0.00 H new ATOM 0 HA THR A 25 -0.568 9.468 -5.031 1.00 0.00 H new ATOM 0 HB THR A 25 -0.876 9.783 -7.561 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.722 8.457 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.470 10.470 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.871 10.942 -6.290 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.945 9.534 -6.460 1.00 0.00 H new ATOM 354 N GLU A 26 -2.961 9.029 -5.871 1.00 0.00 N ATOM 355 CA GLU A 26 -4.361 8.649 -6.015 1.00 0.00 C ATOM 356 C GLU A 26 -4.600 7.946 -7.348 1.00 0.00 C ATOM 357 O GLU A 26 -5.561 7.193 -7.501 1.00 0.00 O ATOM 358 CB GLU A 26 -5.260 9.883 -5.907 1.00 0.00 C ATOM 359 CG GLU A 26 -5.005 10.716 -4.662 1.00 0.00 C ATOM 360 CD GLU A 26 -5.351 12.179 -4.858 1.00 0.00 C ATOM 361 OE1 GLU A 26 -6.085 12.491 -5.819 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.887 13.012 -4.052 1.00 0.00 O ATOM 0 H GLU A 26 -2.807 10.027 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.608 7.956 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.112 10.508 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.302 9.564 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.591 10.315 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.956 10.629 -4.380 1.00 0.00 H new ATOM 369 N VAL A 27 -3.719 8.200 -8.310 1.00 0.00 N ATOM 370 CA VAL A 27 -3.833 7.592 -9.630 1.00 0.00 C ATOM 371 C VAL A 27 -3.816 6.070 -9.538 1.00 0.00 C ATOM 372 O VAL A 27 -4.428 5.380 -10.354 1.00 0.00 O ATOM 373 CB VAL A 27 -2.694 8.052 -10.560 1.00 0.00 C ATOM 374 CG1 VAL A 27 -1.361 7.489 -10.090 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.980 7.639 -11.996 1.00 0.00 C ATOM 0 H VAL A 27 -2.919 8.823 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.786 7.917 -10.047 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.635 9.140 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.568 7.824 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.155 7.839 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.404 6.400 -10.096 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.166 7.972 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.067 6.554 -12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.913 8.095 -12.327 1.00 0.00 H new ATOM 385 N THR A 28 -3.111 5.551 -8.538 1.00 0.00 N ATOM 386 CA THR A 28 -3.013 4.111 -8.338 1.00 0.00 C ATOM 387 C THR A 28 -4.215 3.580 -7.565 1.00 0.00 C ATOM 388 O THR A 28 -4.909 4.333 -6.881 1.00 0.00 O ATOM 389 CB THR A 28 -1.725 3.734 -7.583 1.00 0.00 C ATOM 390 OG1 THR A 28 -1.330 2.400 -7.922 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.927 3.842 -6.079 1.00 0.00 C ATOM 0 H THR A 28 -2.599 6.107 -7.853 1.00 0.00 H new ATOM 0 HA THR A 28 -2.991 3.656 -9.328 1.00 0.00 H new ATOM 0 HB THR A 28 -0.941 4.431 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.433 2.225 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.004 3.571 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.198 4.866 -5.821 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.725 3.167 -5.770 1.00 0.00 H new ATOM 399 N THR A 29 -4.457 2.278 -7.677 1.00 0.00 N ATOM 400 CA THR A 29 -5.575 1.646 -6.988 1.00 0.00 C ATOM 401 C THR A 29 -5.116 0.963 -5.705 1.00 0.00 C ATOM 402 O THR A 29 -3.948 0.596 -5.569 1.00 0.00 O ATOM 403 CB THR A 29 -6.274 0.608 -7.887 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.465 -0.568 -7.998 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.538 1.181 -9.271 1.00 0.00 C ATOM 0 H THR A 29 -3.893 1.640 -8.239 1.00 0.00 H new ATOM 0 HA THR A 29 -6.282 2.438 -6.741 1.00 0.00 H new ATOM 0 HB THR A 29 -7.229 0.349 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.917 -1.223 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.032 0.430 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.179 2.059 -9.185 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.593 1.465 -9.733 1.00 0.00 H new ATOM 413 N CYS A 30 -6.041 0.794 -4.767 1.00 0.00 N ATOM 414 CA CYS A 30 -5.731 0.155 -3.493 1.00 0.00 C ATOM 415 C CYS A 30 -4.793 -1.031 -3.695 1.00 0.00 C ATOM 416 O CYS A 30 -3.755 -1.131 -3.041 1.00 0.00 O ATOM 417 CB CYS A 30 -7.016 -0.307 -2.804 1.00 0.00 C ATOM 418 SG CYS A 30 -7.754 0.931 -1.713 1.00 0.00 S ATOM 0 H CYS A 30 -7.012 1.091 -4.865 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.231 0.887 -2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.744 -0.585 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.802 -1.205 -2.225 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.836 0.449 -1.179 1.00 0.00 H new ATOM 424 N GLN A 31 -5.168 -1.928 -4.602 1.00 0.00 N ATOM 425 CA GLN A 31 -4.361 -3.108 -4.887 1.00 0.00 C ATOM 426 C GLN A 31 -2.874 -2.769 -4.869 1.00 0.00 C ATOM 427 O GLN A 31 -2.139 -3.208 -3.985 1.00 0.00 O ATOM 428 CB GLN A 31 -4.745 -3.698 -6.245 1.00 0.00 C ATOM 429 CG GLN A 31 -4.534 -5.201 -6.336 1.00 0.00 C ATOM 430 CD GLN A 31 -4.213 -5.661 -7.745 1.00 0.00 C ATOM 431 OE1 GLN A 31 -3.823 -4.862 -8.597 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.376 -6.954 -7.998 1.00 0.00 N ATOM 0 H GLN A 31 -6.025 -1.860 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.556 -3.846 -4.109 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.792 -3.474 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.159 -3.209 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.722 -5.491 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.431 -5.712 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.701 -7.581 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.176 -7.321 -8.928 1.00 0.00 H new ATOM 441 N GLU A 32 -2.439 -1.984 -5.850 1.00 0.00 N ATOM 442 CA GLU A 32 -1.039 -1.588 -5.946 1.00 0.00 C ATOM 443 C GLU A 32 -0.485 -1.211 -4.575 1.00 0.00 C ATOM 444 O GLU A 32 0.532 -1.747 -4.135 1.00 0.00 O ATOM 445 CB GLU A 32 -0.885 -0.411 -6.912 1.00 0.00 C ATOM 446 CG GLU A 32 -0.916 -0.817 -8.376 1.00 0.00 C ATOM 447 CD GLU A 32 0.377 -1.465 -8.830 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.555 -2.675 -8.577 1.00 0.00 O ATOM 449 OE2 GLU A 32 1.212 -0.762 -9.437 1.00 0.00 O ATOM 0 H GLU A 32 -3.035 -1.610 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.472 -2.438 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.683 0.308 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.056 0.098 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.742 -1.509 -8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.112 0.063 -8.989 1.00 0.00 H new ATOM 456 N VAL A 33 -1.162 -0.283 -3.905 1.00 0.00 N ATOM 457 CA VAL A 33 -0.738 0.166 -2.584 1.00 0.00 C ATOM 458 C VAL A 33 -0.485 -1.017 -1.656 1.00 0.00 C ATOM 459 O VAL A 33 0.465 -1.013 -0.873 1.00 0.00 O ATOM 460 CB VAL A 33 -1.789 1.091 -1.942 1.00 0.00 C ATOM 461 CG1 VAL A 33 -1.353 1.508 -0.546 1.00 0.00 C ATOM 462 CG2 VAL A 33 -2.032 2.310 -2.820 1.00 0.00 C ATOM 0 H VAL A 33 -2.005 0.172 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 33 0.190 0.721 -2.721 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.726 0.541 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.108 2.161 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.234 0.622 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.404 2.040 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.777 2.953 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.100 2.863 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.393 1.989 -3.797 1.00 0.00 H new ATOM 472 N VAL A 34 -1.340 -2.030 -1.750 1.00 0.00 N ATOM 473 CA VAL A 34 -1.209 -3.221 -0.920 1.00 0.00 C ATOM 474 C VAL A 34 0.074 -3.978 -1.245 1.00 0.00 C ATOM 475 O VAL A 34 1.010 -4.006 -0.445 1.00 0.00 O ATOM 476 CB VAL A 34 -2.410 -4.168 -1.102 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.535 -5.108 0.087 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.691 -3.370 -1.299 1.00 0.00 C ATOM 0 H VAL A 34 -2.131 -2.050 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.177 -2.883 0.116 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.243 -4.771 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.389 -5.769 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.626 -5.703 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.679 -4.526 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.530 -4.054 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.865 -2.740 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.596 -2.743 -2.186 1.00 0.00 H new ATOM 488 N ILE A 35 0.111 -4.590 -2.424 1.00 0.00 N ATOM 489 CA ILE A 35 1.280 -5.346 -2.856 1.00 0.00 C ATOM 490 C ILE A 35 2.570 -4.673 -2.397 1.00 0.00 C ATOM 491 O ILE A 35 3.461 -5.323 -1.851 1.00 0.00 O ATOM 492 CB ILE A 35 1.314 -5.504 -4.387 1.00 0.00 C ATOM 493 CG1 ILE A 35 0.054 -6.221 -4.875 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.561 -6.265 -4.813 1.00 0.00 C ATOM 495 CD1 ILE A 35 -1.084 -5.283 -5.209 1.00 0.00 C ATOM 0 H ILE A 35 -0.655 -4.577 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 35 1.204 -6.333 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 35 1.344 -4.513 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.300 -6.810 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.276 -6.921 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.571 -6.369 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.448 -5.718 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.558 -7.254 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.944 -5.861 -5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.357 -4.712 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.772 -4.599 -5.998 1.00 0.00 H new ATOM 507 N ALA A 36 2.661 -3.366 -2.621 1.00 0.00 N ATOM 508 CA ALA A 36 3.840 -2.604 -2.227 1.00 0.00 C ATOM 509 C ALA A 36 4.410 -3.117 -0.909 1.00 0.00 C ATOM 510 O ALA A 36 5.614 -3.347 -0.789 1.00 0.00 O ATOM 511 CB ALA A 36 3.500 -1.125 -2.118 1.00 0.00 C ATOM 0 H ALA A 36 1.933 -2.813 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 36 4.601 -2.735 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.389 -0.568 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.147 -0.761 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.720 -0.985 -1.370 1.00 0.00 H new ATOM 517 N LEU A 37 3.538 -3.293 0.078 1.00 0.00 N ATOM 518 CA LEU A 37 3.955 -3.778 1.389 1.00 0.00 C ATOM 519 C LEU A 37 4.287 -5.266 1.339 1.00 0.00 C ATOM 520 O LEU A 37 5.343 -5.693 1.806 1.00 0.00 O ATOM 521 CB LEU A 37 2.856 -3.524 2.422 1.00 0.00 C ATOM 522 CG LEU A 37 2.598 -2.060 2.781 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.817 -1.455 3.460 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.227 -1.263 1.539 1.00 0.00 C ATOM 0 H LEU A 37 2.538 -3.107 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 37 4.853 -3.234 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.927 -3.955 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.112 -4.062 3.335 1.00 0.00 H new ATOM 0 HG LEU A 37 1.761 -2.019 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.615 -0.413 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.038 -2.009 4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.673 -1.509 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.047 -0.224 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.043 -1.312 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.325 -1.682 1.094 1.00 0.00 H new ATOM 536 N ALA A 38 3.379 -6.051 0.768 1.00 0.00 N ATOM 537 CA ALA A 38 3.578 -7.490 0.653 1.00 0.00 C ATOM 538 C ALA A 38 4.901 -7.809 -0.035 1.00 0.00 C ATOM 539 O ALA A 38 5.481 -8.873 0.179 1.00 0.00 O ATOM 540 CB ALA A 38 2.421 -8.123 -0.106 1.00 0.00 C ATOM 0 H ALA A 38 2.499 -5.714 0.378 1.00 0.00 H new ATOM 0 HA ALA A 38 3.612 -7.908 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.582 -9.198 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.489 -7.934 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.361 -7.691 -1.105 1.00 0.00 H new ATOM 546 N GLN A 39 5.372 -6.880 -0.861 1.00 0.00 N ATOM 547 CA GLN A 39 6.627 -7.064 -1.581 1.00 0.00 C ATOM 548 C GLN A 39 7.814 -7.015 -0.625 1.00 0.00 C ATOM 549 O GLN A 39 8.749 -7.808 -0.741 1.00 0.00 O ATOM 550 CB GLN A 39 6.781 -5.991 -2.660 1.00 0.00 C ATOM 551 CG GLN A 39 6.197 -6.393 -4.005 1.00 0.00 C ATOM 552 CD GLN A 39 7.079 -7.371 -4.756 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.188 -8.539 -4.382 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.713 -6.898 -5.823 1.00 0.00 N ATOM 0 H GLN A 39 4.904 -5.993 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 39 6.606 -8.045 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.296 -5.075 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.840 -5.764 -2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.215 -6.840 -3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.050 -5.501 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.593 -5.923 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.320 -7.510 -6.369 1.00 0.00 H new ATOM 563 N ALA A 40 7.771 -6.080 0.318 1.00 0.00 N ATOM 564 CA ALA A 40 8.843 -5.930 1.294 1.00 0.00 C ATOM 565 C ALA A 40 9.030 -7.207 2.105 1.00 0.00 C ATOM 566 O ALA A 40 10.155 -7.662 2.314 1.00 0.00 O ATOM 567 CB ALA A 40 8.556 -4.754 2.216 1.00 0.00 C ATOM 0 H ALA A 40 7.005 -5.415 0.427 1.00 0.00 H new ATOM 0 HA ALA A 40 9.769 -5.736 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.365 -4.653 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.480 -3.840 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.617 -4.925 2.742 1.00 0.00 H new ATOM 573 N ILE A 41 7.921 -7.781 2.561 1.00 0.00 N ATOM 574 CA ILE A 41 7.964 -9.007 3.349 1.00 0.00 C ATOM 575 C ILE A 41 8.237 -10.219 2.465 1.00 0.00 C ATOM 576 O ILE A 41 8.491 -11.316 2.960 1.00 0.00 O ATOM 577 CB ILE A 41 6.647 -9.230 4.115 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.452 -9.089 3.170 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.534 -8.247 5.271 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.148 -9.563 3.771 1.00 0.00 C ATOM 0 H ILE A 41 6.982 -7.417 2.398 1.00 0.00 H new ATOM 0 HA ILE A 41 8.777 -8.893 4.066 1.00 0.00 H new ATOM 0 HB ILE A 41 6.647 -10.241 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.350 -8.043 2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.650 -9.655 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.598 -8.417 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.371 -8.391 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.552 -7.228 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.345 -9.434 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.231 -10.617 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.927 -8.981 4.665 1.00 0.00 H new ATOM 592 N GLY A 42 8.184 -10.012 1.153 1.00 0.00 N ATOM 593 CA GLY A 42 8.429 -11.097 0.220 1.00 0.00 C ATOM 594 C GLY A 42 7.146 -11.712 -0.304 1.00 0.00 C ATOM 595 O GLY A 42 6.713 -11.407 -1.415 1.00 0.00 O ATOM 0 H GLY A 42 7.976 -9.113 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.019 -10.725 -0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.023 -11.867 0.711 1.00 0.00 H new ATOM 599 N ARG A 43 6.539 -12.581 0.497 1.00 0.00 N ATOM 600 CA ARG A 43 5.300 -13.243 0.106 1.00 0.00 C ATOM 601 C ARG A 43 4.266 -12.225 -0.368 1.00 0.00 C ATOM 602 O ARG A 43 4.209 -11.102 0.134 1.00 0.00 O ATOM 603 CB ARG A 43 4.737 -14.051 1.277 1.00 0.00 C ATOM 604 CG ARG A 43 4.454 -13.214 2.514 1.00 0.00 C ATOM 605 CD ARG A 43 5.670 -13.137 3.424 1.00 0.00 C ATOM 606 NE ARG A 43 5.296 -12.942 4.822 1.00 0.00 N ATOM 607 CZ ARG A 43 6.172 -12.914 5.820 1.00 0.00 C ATOM 608 NH1 ARG A 43 7.466 -13.067 5.575 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.754 -12.732 7.066 1.00 0.00 N ATOM 0 H ARG A 43 6.885 -12.843 1.420 1.00 0.00 H new ATOM 0 HA ARG A 43 5.523 -13.919 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.815 -14.540 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.443 -14.840 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.158 -12.209 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.615 -13.644 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.252 -14.053 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.312 -12.317 3.103 1.00 0.00 H new ATOM 0 HE ARG A 43 4.308 -12.821 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.791 -13.207 4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.137 -13.045 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.759 -12.613 7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.427 -12.711 7.832 1.00 0.00 H new ATOM 623 N THR A 44 3.450 -12.626 -1.338 1.00 0.00 N ATOM 624 CA THR A 44 2.420 -11.750 -1.880 1.00 0.00 C ATOM 625 C THR A 44 1.252 -12.554 -2.440 1.00 0.00 C ATOM 626 O THR A 44 1.447 -13.590 -3.075 1.00 0.00 O ATOM 627 CB THR A 44 2.982 -10.842 -2.991 1.00 0.00 C ATOM 628 OG1 THR A 44 4.157 -10.169 -2.525 1.00 0.00 O ATOM 629 CG2 THR A 44 1.945 -9.819 -3.430 1.00 0.00 C ATOM 0 H THR A 44 3.483 -13.552 -1.764 1.00 0.00 H new ATOM 0 HA THR A 44 2.068 -11.129 -1.056 1.00 0.00 H new ATOM 0 HB THR A 44 3.237 -11.467 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.052 -9.947 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.364 -9.189 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.064 -10.335 -3.811 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.663 -9.199 -2.579 1.00 0.00 H new ATOM 637 N GLY A 45 0.037 -12.071 -2.200 1.00 0.00 N ATOM 638 CA GLY A 45 -1.144 -12.758 -2.688 1.00 0.00 C ATOM 639 C GLY A 45 -2.338 -11.834 -2.823 1.00 0.00 C ATOM 640 O GLY A 45 -2.225 -10.740 -3.376 1.00 0.00 O ATOM 0 H GLY A 45 -0.150 -11.216 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.925 -13.207 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.394 -13.572 -2.008 1.00 0.00 H new ATOM 644 N ARG A 46 -3.486 -12.275 -2.319 1.00 0.00 N ATOM 645 CA ARG A 46 -4.707 -11.481 -2.389 1.00 0.00 C ATOM 646 C ARG A 46 -5.045 -10.883 -1.027 1.00 0.00 C ATOM 647 O ARG A 46 -5.825 -11.453 -0.263 1.00 0.00 O ATOM 648 CB ARG A 46 -5.872 -12.340 -2.884 1.00 0.00 C ATOM 649 CG ARG A 46 -5.769 -13.800 -2.475 1.00 0.00 C ATOM 650 CD ARG A 46 -7.101 -14.518 -2.633 1.00 0.00 C ATOM 651 NE ARG A 46 -7.246 -15.115 -3.958 1.00 0.00 N ATOM 652 CZ ARG A 46 -7.643 -14.438 -5.029 1.00 0.00 C ATOM 653 NH1 ARG A 46 -7.932 -13.148 -4.933 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.751 -15.052 -6.201 1.00 0.00 N ATOM 0 H ARG A 46 -3.596 -13.178 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.541 -10.666 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.805 -11.929 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.921 -12.279 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.012 -14.297 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.439 -13.866 -1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.186 -15.295 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.915 -13.814 -2.461 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.031 -16.106 -4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.850 -12.672 -4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.237 -12.631 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.529 -16.044 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.056 -14.531 -7.023 1.00 0.00 H new ATOM 668 N TYR A 47 -4.452 -9.732 -0.728 1.00 0.00 N ATOM 669 CA TYR A 47 -4.688 -9.059 0.543 1.00 0.00 C ATOM 670 C TYR A 47 -5.637 -7.877 0.366 1.00 0.00 C ATOM 671 O TYR A 47 -6.122 -7.614 -0.735 1.00 0.00 O ATOM 672 CB TYR A 47 -3.365 -8.579 1.143 1.00 0.00 C ATOM 673 CG TYR A 47 -2.431 -9.705 1.526 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.990 -10.621 0.579 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.988 -9.852 2.835 1.00 0.00 C ATOM 676 CE1 TYR A 47 -1.137 -11.651 0.924 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.134 -10.879 3.189 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.712 -11.776 2.230 1.00 0.00 C ATOM 679 OH TYR A 47 0.139 -12.800 2.578 1.00 0.00 O ATOM 0 H TYR A 47 -3.805 -9.246 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.150 -9.774 1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.864 -7.931 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.574 -7.975 2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.320 -10.526 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.317 -9.152 3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.805 -12.355 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.799 -10.979 4.211 1.00 0.00 H new ATOM 0 HH TYR A 47 0.343 -12.745 3.535 1.00 0.00 H new ATOM 689 N THR A 48 -5.896 -7.165 1.459 1.00 0.00 N ATOM 690 CA THR A 48 -6.786 -6.012 1.426 1.00 0.00 C ATOM 691 C THR A 48 -6.457 -5.031 2.546 1.00 0.00 C ATOM 692 O THR A 48 -5.695 -5.350 3.460 1.00 0.00 O ATOM 693 CB THR A 48 -8.262 -6.437 1.549 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.109 -5.440 0.966 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.645 -6.646 3.006 1.00 0.00 C ATOM 0 H THR A 48 -5.502 -7.367 2.378 1.00 0.00 H new ATOM 0 HA THR A 48 -6.635 -5.524 0.463 1.00 0.00 H new ATOM 0 HB THR A 48 -8.392 -7.379 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.045 -5.718 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.691 -6.945 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.018 -7.426 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.500 -5.717 3.557 1.00 0.00 H new ATOM 703 N LEU A 49 -7.035 -3.838 2.470 1.00 0.00 N ATOM 704 CA LEU A 49 -6.803 -2.810 3.479 1.00 0.00 C ATOM 705 C LEU A 49 -8.020 -2.652 4.385 1.00 0.00 C ATOM 706 O LEU A 49 -9.134 -3.020 4.014 1.00 0.00 O ATOM 707 CB LEU A 49 -6.476 -1.474 2.808 1.00 0.00 C ATOM 708 CG LEU A 49 -5.442 -1.524 1.683 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.122 -2.080 2.194 1.00 0.00 C ATOM 710 CD2 LEU A 49 -5.959 -2.357 0.520 1.00 0.00 C ATOM 0 H LEU A 49 -7.668 -3.558 1.721 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.956 -3.120 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.399 -1.056 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.119 -0.784 3.572 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.271 -0.508 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.399 -2.108 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.744 -1.442 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.276 -3.089 2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.210 -2.381 -0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.160 -3.373 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.878 -1.915 0.136 1.00 0.00 H new ATOM 722 N ILE A 50 -7.798 -2.101 5.574 1.00 0.00 N ATOM 723 CA ILE A 50 -8.877 -1.892 6.531 1.00 0.00 C ATOM 724 C ILE A 50 -8.739 -0.542 7.228 1.00 0.00 C ATOM 725 O ILE A 50 -7.727 -0.264 7.869 1.00 0.00 O ATOM 726 CB ILE A 50 -8.909 -3.005 7.595 1.00 0.00 C ATOM 727 CG1 ILE A 50 -8.610 -4.362 6.955 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.259 -3.030 8.295 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.803 -4.977 6.258 1.00 0.00 C ATOM 0 H ILE A 50 -6.881 -1.792 5.897 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.809 -1.914 5.966 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.140 -2.798 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.800 -4.245 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.256 -5.048 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.266 -3.822 9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.435 -2.070 8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.045 -3.216 7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.518 -5.937 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.608 -5.127 6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.144 -4.311 5.465 1.00 0.00 H new ATOM 741 N GLU A 51 -9.767 0.291 7.098 1.00 0.00 N ATOM 742 CA GLU A 51 -9.760 1.612 7.716 1.00 0.00 C ATOM 743 C GLU A 51 -10.486 1.588 9.059 1.00 0.00 C ATOM 744 O GLU A 51 -11.714 1.643 9.115 1.00 0.00 O ATOM 745 CB GLU A 51 -10.416 2.637 6.788 1.00 0.00 C ATOM 746 CG GLU A 51 -9.438 3.315 5.843 1.00 0.00 C ATOM 747 CD GLU A 51 -8.956 2.391 4.741 1.00 0.00 C ATOM 748 OE1 GLU A 51 -8.920 1.163 4.971 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.616 2.894 3.651 1.00 0.00 O ATOM 0 H GLU A 51 -10.614 0.075 6.571 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.723 1.899 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.190 2.141 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.911 3.397 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.915 4.188 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.580 3.675 6.411 1.00 0.00 H new ATOM 756 N LYS A 52 -9.716 1.505 10.139 1.00 0.00 N ATOM 757 CA LYS A 52 -10.283 1.474 11.482 1.00 0.00 C ATOM 758 C LYS A 52 -10.278 2.865 12.107 1.00 0.00 C ATOM 759 O LYS A 52 -9.234 3.511 12.196 1.00 0.00 O ATOM 760 CB LYS A 52 -9.498 0.503 12.367 1.00 0.00 C ATOM 761 CG LYS A 52 -9.740 0.702 13.853 1.00 0.00 C ATOM 762 CD LYS A 52 -9.272 -0.497 14.660 1.00 0.00 C ATOM 763 CE LYS A 52 -9.678 -0.379 16.121 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.819 -1.214 17.005 1.00 0.00 N ATOM 0 H LYS A 52 -8.697 1.458 10.110 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.315 1.133 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.766 -0.519 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.434 0.618 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.216 1.596 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.802 0.869 14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.694 -1.409 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.188 -0.584 14.589 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.614 0.664 16.432 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.719 -0.682 16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.128 -1.106 17.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.899 -2.212 16.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.829 -0.908 16.917 1.00 0.00 H new ATOM 778 N TRP A 53 -11.449 3.319 12.538 1.00 0.00 N ATOM 779 CA TRP A 53 -11.578 4.633 13.156 1.00 0.00 C ATOM 780 C TRP A 53 -12.665 4.628 14.225 1.00 0.00 C ATOM 781 O TRP A 53 -13.750 4.083 14.018 1.00 0.00 O ATOM 782 CB TRP A 53 -11.894 5.690 12.096 1.00 0.00 C ATOM 783 CG TRP A 53 -12.267 7.020 12.676 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.429 8.071 12.921 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.573 7.442 13.084 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.136 9.120 13.458 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.453 8.760 13.567 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.832 6.835 13.086 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.545 9.478 14.047 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.914 7.549 13.564 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.766 8.859 14.038 1.00 0.00 C ATOM 0 H TRP A 53 -12.323 2.797 12.471 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.628 4.877 13.631 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.027 5.815 11.448 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.711 5.333 11.469 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.368 8.077 12.722 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.743 10.021 13.731 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.957 5.826 12.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.433 10.488 14.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.891 7.089 13.572 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.632 9.391 14.403 1.00 0.00 H new ATOM 802 N ARG A 54 -12.368 5.236 15.369 1.00 0.00 N ATOM 803 CA ARG A 54 -13.321 5.300 16.471 1.00 0.00 C ATOM 804 C ARG A 54 -14.035 3.964 16.650 1.00 0.00 C ATOM 805 O ARG A 54 -15.243 3.920 16.885 1.00 0.00 O ATOM 806 CB ARG A 54 -14.346 6.409 16.223 1.00 0.00 C ATOM 807 CG ARG A 54 -14.862 7.056 17.498 1.00 0.00 C ATOM 808 CD ARG A 54 -16.270 7.600 17.316 1.00 0.00 C ATOM 809 NE ARG A 54 -17.031 7.578 18.563 1.00 0.00 N ATOM 810 CZ ARG A 54 -17.435 6.461 19.157 1.00 0.00 C ATOM 811 NH1 ARG A 54 -17.153 5.281 18.621 1.00 0.00 N ATOM 812 NH2 ARG A 54 -18.123 6.523 20.290 1.00 0.00 N ATOM 0 H ARG A 54 -11.475 5.691 15.557 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.769 5.523 17.384 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.894 7.176 15.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.189 5.996 15.668 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.855 6.325 18.307 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.194 7.865 17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.218 8.622 16.941 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.792 7.010 16.562 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.265 8.469 19.001 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.624 5.230 17.750 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.465 4.425 19.080 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.342 7.429 20.705 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.433 5.665 20.746 1.00 0.00 H new ATOM 826 N ASP A 55 -13.280 2.876 16.537 1.00 0.00 N ATOM 827 CA ASP A 55 -13.840 1.538 16.687 1.00 0.00 C ATOM 828 C ASP A 55 -14.711 1.176 15.488 1.00 0.00 C ATOM 829 O ASP A 55 -15.676 0.421 15.612 1.00 0.00 O ATOM 830 CB ASP A 55 -14.661 1.447 17.975 1.00 0.00 C ATOM 831 CG ASP A 55 -13.988 2.145 19.140 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.042 3.392 19.196 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.410 1.445 19.997 1.00 0.00 O ATOM 0 H ASP A 55 -12.279 2.895 16.342 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.014 0.829 16.741 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.643 1.889 17.808 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.822 0.399 18.227 1.00 0.00 H new ATOM 838 N THR A 56 -14.364 1.720 14.325 1.00 0.00 N ATOM 839 CA THR A 56 -15.115 1.456 13.104 1.00 0.00 C ATOM 840 C THR A 56 -14.197 0.970 11.989 1.00 0.00 C ATOM 841 O THR A 56 -13.439 1.750 11.413 1.00 0.00 O ATOM 842 CB THR A 56 -15.866 2.712 12.624 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.715 3.204 13.668 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.699 2.405 11.389 1.00 0.00 C ATOM 0 H THR A 56 -13.568 2.346 14.204 1.00 0.00 H new ATOM 0 HA THR A 56 -15.839 0.677 13.340 1.00 0.00 H new ATOM 0 HB THR A 56 -15.129 3.473 12.366 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.188 4.004 13.356 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.220 3.307 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.047 2.058 10.587 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.428 1.629 11.625 1.00 0.00 H new ATOM 852 N GLU A 57 -14.270 -0.323 11.689 1.00 0.00 N ATOM 853 CA GLU A 57 -13.444 -0.912 10.641 1.00 0.00 C ATOM 854 C GLU A 57 -14.311 -1.555 9.562 1.00 0.00 C ATOM 855 O GLU A 57 -15.367 -2.116 9.852 1.00 0.00 O ATOM 856 CB GLU A 57 -12.494 -1.954 11.235 1.00 0.00 C ATOM 857 CG GLU A 57 -13.205 -3.164 11.818 1.00 0.00 C ATOM 858 CD GLU A 57 -13.447 -4.250 10.789 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.642 -4.358 9.840 1.00 0.00 O ATOM 860 OE2 GLU A 57 -14.442 -4.992 10.931 1.00 0.00 O ATOM 0 H GLU A 57 -14.892 -0.982 12.156 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.858 -0.114 10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.804 -2.287 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.895 -1.484 12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.611 -3.570 12.637 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.159 -2.851 12.242 1.00 0.00 H new ATOM 867 N ARG A 58 -13.856 -1.467 8.316 1.00 0.00 N ATOM 868 CA ARG A 58 -14.590 -2.038 7.193 1.00 0.00 C ATOM 869 C ARG A 58 -13.668 -2.260 5.998 1.00 0.00 C ATOM 870 O ARG A 58 -12.877 -1.386 5.640 1.00 0.00 O ATOM 871 CB ARG A 58 -15.748 -1.122 6.795 1.00 0.00 C ATOM 872 CG ARG A 58 -16.871 -1.842 6.067 1.00 0.00 C ATOM 873 CD ARG A 58 -17.749 -2.624 7.032 1.00 0.00 C ATOM 874 NE ARG A 58 -18.346 -3.798 6.401 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.078 -4.692 7.056 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.302 -4.547 8.355 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.588 -5.734 6.412 1.00 0.00 N ATOM 0 H ARG A 58 -12.983 -1.006 8.059 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.990 -3.003 7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.151 -0.650 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.367 -0.324 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.479 -1.117 5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.449 -2.521 5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.155 -2.937 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -18.539 -1.975 7.411 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.192 -3.939 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.912 -3.747 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.865 -5.235 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.418 -5.849 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.150 -6.420 6.916 1.00 0.00 H new ATOM 891 N HIS A 59 -13.774 -3.434 5.385 1.00 0.00 N ATOM 892 CA HIS A 59 -12.949 -3.771 4.229 1.00 0.00 C ATOM 893 C HIS A 59 -13.262 -2.851 3.052 1.00 0.00 C ATOM 894 O HIS A 59 -14.417 -2.486 2.826 1.00 0.00 O ATOM 895 CB HIS A 59 -13.171 -5.229 3.825 1.00 0.00 C ATOM 896 CG HIS A 59 -12.752 -6.211 4.875 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.171 -7.426 4.580 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.832 -6.152 6.225 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.913 -8.073 5.702 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.304 -7.321 6.716 1.00 0.00 N ATOM 0 H HIS A 59 -14.423 -4.168 5.669 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.904 -3.634 4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.227 -5.378 3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.618 -5.432 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.236 -5.337 6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.460 -9.050 5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.226 -7.568 7.702 1.00 0.00 H new ATOM 909 N LEU A 60 -12.228 -2.480 2.307 1.00 0.00 N ATOM 910 CA LEU A 60 -12.392 -1.602 1.153 1.00 0.00 C ATOM 911 C LEU A 60 -12.320 -2.395 -0.149 1.00 0.00 C ATOM 912 O LEU A 60 -12.108 -3.607 -0.138 1.00 0.00 O ATOM 913 CB LEU A 60 -11.318 -0.513 1.160 1.00 0.00 C ATOM 914 CG LEU A 60 -11.659 0.760 1.936 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.390 1.443 2.423 1.00 0.00 C ATOM 916 CD2 LEU A 60 -12.480 1.707 1.073 1.00 0.00 C ATOM 0 H LEU A 60 -11.267 -2.773 2.481 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.375 -1.135 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.404 -0.935 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.101 -0.238 0.128 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.256 0.485 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.651 2.347 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.841 0.766 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.767 1.706 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.713 2.607 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.909 1.977 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.406 1.216 0.774 1.00 0.00 H new ATOM 928 N ALA A 61 -12.497 -1.701 -1.268 1.00 0.00 N ATOM 929 CA ALA A 61 -12.449 -2.338 -2.578 1.00 0.00 C ATOM 930 C ALA A 61 -11.084 -2.148 -3.231 1.00 0.00 C ATOM 931 O ALA A 61 -10.375 -1.176 -2.972 1.00 0.00 O ATOM 932 CB ALA A 61 -13.546 -1.786 -3.475 1.00 0.00 C ATOM 0 H ALA A 61 -12.675 -0.697 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.612 -3.407 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.497 -2.271 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.518 -1.979 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.410 -0.712 -3.597 1.00 0.00 H new ATOM 938 N PRO A 62 -10.704 -3.099 -4.098 1.00 0.00 N ATOM 939 CA PRO A 62 -9.420 -3.058 -4.805 1.00 0.00 C ATOM 940 C PRO A 62 -9.369 -1.947 -5.849 1.00 0.00 C ATOM 941 O PRO A 62 -8.343 -1.289 -6.019 1.00 0.00 O ATOM 942 CB PRO A 62 -9.344 -4.430 -5.480 1.00 0.00 C ATOM 943 CG PRO A 62 -10.763 -4.855 -5.636 1.00 0.00 C ATOM 944 CD PRO A 62 -11.498 -4.286 -4.454 1.00 0.00 C ATOM 0 HA PRO A 62 -8.589 -2.853 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.841 -4.369 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.783 -5.140 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.181 -4.483 -6.571 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.845 -5.942 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.524 -4.021 -4.708 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.547 -4.998 -3.630 1.00 0.00 H new ATOM 952 N HIS A 63 -10.483 -1.744 -6.545 1.00 0.00 N ATOM 953 CA HIS A 63 -10.565 -0.712 -7.573 1.00 0.00 C ATOM 954 C HIS A 63 -10.564 0.679 -6.946 1.00 0.00 C ATOM 955 O HIS A 63 -10.164 1.655 -7.580 1.00 0.00 O ATOM 956 CB HIS A 63 -11.824 -0.903 -8.418 1.00 0.00 C ATOM 957 CG HIS A 63 -13.061 -1.138 -7.606 1.00 0.00 C ATOM 958 ND1 HIS A 63 -14.037 -0.181 -7.428 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.478 -2.231 -6.925 1.00 0.00 C ATOM 960 CE1 HIS A 63 -15.000 -0.674 -6.670 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.685 -1.917 -6.352 1.00 0.00 N ATOM 0 H HIS A 63 -11.341 -2.280 -6.416 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.689 -0.803 -8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.971 -0.021 -9.041 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.675 -1.747 -9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.958 -3.174 -6.847 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.893 -0.150 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.247 -2.542 -5.774 1.00 0.00 H new ATOM 970 N GLU A 64 -11.016 0.761 -5.698 1.00 0.00 N ATOM 971 CA GLU A 64 -11.069 2.034 -4.988 1.00 0.00 C ATOM 972 C GLU A 64 -9.663 2.553 -4.698 1.00 0.00 C ATOM 973 O GLU A 64 -8.674 1.857 -4.923 1.00 0.00 O ATOM 974 CB GLU A 64 -11.848 1.881 -3.680 1.00 0.00 C ATOM 975 CG GLU A 64 -13.352 1.792 -3.875 1.00 0.00 C ATOM 976 CD GLU A 64 -14.014 3.155 -3.936 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.382 4.100 -4.453 1.00 0.00 O ATOM 978 OE2 GLU A 64 -15.165 3.276 -3.467 1.00 0.00 O ATOM 0 H GLU A 64 -11.350 -0.038 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.580 2.756 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.503 0.985 -3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.624 2.728 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.564 1.248 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.787 1.217 -3.058 1.00 0.00 H new ATOM 985 N ASN A 65 -9.585 3.782 -4.196 1.00 0.00 N ATOM 986 CA ASN A 65 -8.301 4.396 -3.876 1.00 0.00 C ATOM 987 C ASN A 65 -8.176 4.642 -2.376 1.00 0.00 C ATOM 988 O ASN A 65 -9.103 5.118 -1.720 1.00 0.00 O ATOM 989 CB ASN A 65 -8.139 5.714 -4.636 1.00 0.00 C ATOM 990 CG ASN A 65 -8.150 5.519 -6.140 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.525 4.595 -6.662 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.862 6.390 -6.844 1.00 0.00 N ATOM 0 H ASN A 65 -10.395 4.371 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.511 3.709 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.943 6.394 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.203 6.188 -4.341 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.907 6.309 -7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.364 7.140 -6.369 1.00 0.00 H new ATOM 999 N PRO A 66 -7.002 4.312 -1.818 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.726 4.489 -0.389 1.00 0.00 C ATOM 1001 C PRO A 66 -6.609 5.959 0.000 1.00 0.00 C ATOM 1002 O PRO A 66 -7.123 6.379 1.037 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.385 3.776 -0.195 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.736 3.819 -1.535 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.852 3.740 -2.539 1.00 0.00 C ATOM 0 HA PRO A 66 -7.528 4.093 0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.775 4.277 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.528 2.750 0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.162 4.737 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.041 2.989 -1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.621 4.306 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.042 2.712 -2.848 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.929 6.736 -0.837 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.747 8.159 -0.580 1.00 0.00 C ATOM 1015 C ILE A 67 -7.080 8.899 -0.611 1.00 0.00 C ATOM 1016 O ILE A 67 -7.380 9.695 0.279 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.793 8.798 -1.607 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.454 8.059 -1.621 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.588 10.273 -1.292 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.381 8.768 -2.419 1.00 0.00 C ATOM 0 H ILE A 67 -5.495 6.404 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.310 8.247 0.414 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.241 8.717 -2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.108 7.931 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.603 7.061 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.912 10.711 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.547 10.790 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.158 10.376 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.459 8.187 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.706 8.872 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.204 9.756 -1.993 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.876 8.629 -1.640 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.178 9.267 -1.785 1.00 0.00 C ATOM 1034 C ILE A 68 -10.111 8.879 -0.643 1.00 0.00 C ATOM 1035 O ILE A 68 -10.734 9.737 -0.017 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.842 8.894 -3.124 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.885 9.168 -4.286 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.140 9.667 -3.305 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.869 10.615 -4.727 1.00 0.00 C ATOM 0 H ILE A 68 -7.642 7.973 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.006 10.343 -1.761 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.075 7.829 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.877 8.875 -3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.166 8.542 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.597 9.393 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.823 9.426 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.930 10.737 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.169 10.736 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.868 10.908 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.559 11.246 -3.894 1.00 0.00 H new ATOM 1051 N SER A 69 -10.201 7.580 -0.375 1.00 0.00 N ATOM 1052 CA SER A 69 -11.059 7.077 0.692 1.00 0.00 C ATOM 1053 C SER A 69 -10.810 7.835 1.992 1.00 0.00 C ATOM 1054 O SER A 69 -11.742 8.347 2.614 1.00 0.00 O ATOM 1055 CB SER A 69 -10.818 5.582 0.906 1.00 0.00 C ATOM 1056 OG SER A 69 -11.883 4.992 1.632 1.00 0.00 O ATOM 0 H SER A 69 -9.690 6.857 -0.882 1.00 0.00 H new ATOM 0 HA SER A 69 -12.096 7.232 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.713 5.086 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.882 5.435 1.444 1.00 0.00 H new ATOM 0 HG SER A 69 -11.523 4.345 2.274 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.547 7.904 2.397 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.174 8.600 3.624 1.00 0.00 C ATOM 1064 C LEU A 70 -9.450 10.095 3.507 1.00 0.00 C ATOM 1065 O LEU A 70 -10.071 10.692 4.386 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.695 8.366 3.936 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.375 7.141 4.795 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.896 6.801 4.709 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.787 7.381 6.240 1.00 0.00 C ATOM 0 H LEU A 70 -8.764 7.487 1.894 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.779 8.200 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.156 8.275 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.307 9.250 4.441 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.944 6.294 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.687 5.927 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.632 6.586 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.307 7.646 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.552 6.499 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.246 8.241 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.859 7.575 6.285 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.986 10.694 2.415 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.185 12.120 2.183 1.00 0.00 C ATOM 1083 C ASN A 71 -10.586 12.550 2.608 1.00 0.00 C ATOM 1084 O ASN A 71 -10.774 13.636 3.158 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.963 12.453 0.706 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.525 12.241 0.276 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -6.674 11.859 1.080 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.246 12.490 -0.999 1.00 0.00 N ATOM 0 H ASN A 71 -8.470 10.214 1.677 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.459 12.666 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.618 11.833 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.245 13.490 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.295 12.366 -1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.983 12.805 -1.630 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.566 11.692 2.349 1.00 0.00 N ATOM 1096 CA LYS A 72 -12.950 11.981 2.705 1.00 0.00 C ATOM 1097 C LYS A 72 -13.029 12.686 4.055 1.00 0.00 C ATOM 1098 O LYS A 72 -13.501 13.820 4.147 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.768 10.688 2.745 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.772 9.930 1.429 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.658 10.608 0.398 1.00 0.00 C ATOM 1102 CE LYS A 72 -16.131 10.340 0.666 1.00 0.00 C ATOM 1103 NZ LYS A 72 -16.995 10.832 -0.443 1.00 0.00 N ATOM 0 H LYS A 72 -11.428 10.790 1.893 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.364 12.643 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.370 10.040 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.795 10.926 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.754 9.860 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.121 8.911 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.475 11.682 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.398 10.251 -0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.287 9.270 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.425 10.824 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.991 10.631 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.866 11.858 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.732 10.352 -1.327 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.563 12.010 5.099 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.579 12.574 6.444 1.00 0.00 C ATOM 1119 C TRP A 73 -12.018 13.991 6.447 1.00 0.00 C ATOM 1120 O TRP A 73 -12.552 14.879 7.111 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.773 11.691 7.399 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.198 10.254 7.380 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.623 9.239 6.671 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.289 9.674 8.102 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.291 8.062 6.909 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.317 8.302 7.784 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.245 10.178 8.988 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.263 7.432 8.320 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.183 9.314 9.519 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.187 7.954 9.184 1.00 0.00 C ATOM 0 H TRP A 73 -12.169 11.071 5.040 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.614 12.613 6.782 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.717 11.754 7.136 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.873 12.079 8.413 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.769 9.345 6.019 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.060 7.156 6.500 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.250 11.225 9.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.267 6.383 8.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.926 9.694 10.204 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.934 7.305 9.616 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.938 14.198 5.699 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.323 15.511 5.631 1.00 0.00 C ATOM 1143 C GLY A 74 -9.197 15.677 6.631 1.00 0.00 C ATOM 1144 O GLY A 74 -8.022 15.602 6.270 1.00 0.00 O ATOM 0 H GLY A 74 -10.478 13.480 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.938 15.677 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.081 16.273 5.812 1.00 0.00 H new ATOM 1148 N GLN A 75 -9.554 15.903 7.891 1.00 0.00 N ATOM 1149 CA GLN A 75 -8.564 16.082 8.945 1.00 0.00 C ATOM 1150 C GLN A 75 -8.433 14.820 9.790 1.00 0.00 C ATOM 1151 O GLN A 75 -7.326 14.363 10.075 1.00 0.00 O ATOM 1152 CB GLN A 75 -8.943 17.268 9.834 1.00 0.00 C ATOM 1153 CG GLN A 75 -10.217 17.047 10.633 1.00 0.00 C ATOM 1154 CD GLN A 75 -10.849 18.345 11.095 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -10.775 19.365 10.408 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -11.475 18.315 12.265 1.00 0.00 N ATOM 0 H GLN A 75 -10.522 15.966 8.206 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.602 16.283 8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -8.123 17.472 10.523 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.064 18.154 9.211 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.933 16.496 10.023 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.994 16.427 11.501 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.512 17.448 12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.919 19.159 12.628 1.00 0.00 H new ATOM 1165 N TYR A 76 -9.571 14.260 10.188 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.584 13.052 11.004 1.00 0.00 C ATOM 1167 C TYR A 76 -8.848 11.914 10.303 1.00 0.00 C ATOM 1168 O TYR A 76 -8.366 10.982 10.946 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.023 12.632 11.308 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.842 13.715 11.974 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.859 13.849 13.357 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.598 14.604 11.220 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.606 14.836 13.970 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -13.347 15.595 11.824 1.00 0.00 C ATOM 1175 CZ TYR A 76 -13.348 15.707 13.199 1.00 0.00 C ATOM 1176 OH TYR A 76 -14.093 16.692 13.805 1.00 0.00 O ATOM 0 H TYR A 76 -10.496 14.624 9.958 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.071 13.271 11.940 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.511 12.339 10.379 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.008 11.752 11.951 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.278 13.170 13.963 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.600 14.519 10.143 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.609 14.925 15.046 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.929 16.278 11.223 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.555 17.220 13.121 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.765 11.998 8.979 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.086 10.978 8.190 1.00 0.00 C ATOM 1188 C ALA A 77 -6.808 10.512 8.878 1.00 0.00 C ATOM 1189 O ALA A 77 -6.617 9.318 9.110 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.775 11.509 6.798 1.00 0.00 C ATOM 0 H ALA A 77 -9.160 12.762 8.431 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.752 10.120 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.268 10.737 6.219 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.703 11.786 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.131 12.385 6.878 1.00 0.00 H new ATOM 1196 N SER A 78 -5.936 11.460 9.202 1.00 0.00 N ATOM 1197 CA SER A 78 -4.673 11.146 9.860 1.00 0.00 C ATOM 1198 C SER A 78 -4.892 10.181 11.022 1.00 0.00 C ATOM 1199 O SER A 78 -4.211 9.161 11.132 1.00 0.00 O ATOM 1200 CB SER A 78 -4.003 12.425 10.364 1.00 0.00 C ATOM 1201 OG SER A 78 -4.894 13.187 11.161 1.00 0.00 O ATOM 0 H SER A 78 -6.081 12.453 9.020 1.00 0.00 H new ATOM 0 HA SER A 78 -4.021 10.667 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.117 12.170 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.667 13.022 9.516 1.00 0.00 H new ATOM 0 HG SER A 78 -5.602 13.559 10.595 1.00 0.00 H new ATOM 1207 N ASP A 79 -5.846 10.512 11.885 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.156 9.675 13.039 1.00 0.00 C ATOM 1209 C ASP A 79 -6.505 8.255 12.602 1.00 0.00 C ATOM 1210 O ASP A 79 -6.222 7.290 13.312 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.316 10.277 13.834 1.00 0.00 C ATOM 1212 CG ASP A 79 -6.844 11.236 14.909 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -5.730 11.035 15.438 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.588 12.190 15.220 1.00 0.00 O ATOM 0 H ASP A 79 -6.418 11.353 11.808 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.272 9.633 13.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.987 10.801 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.892 9.475 14.294 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.121 8.136 11.431 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.509 6.835 10.900 1.00 0.00 C ATOM 1221 C VAL A 80 -6.284 5.981 10.590 1.00 0.00 C ATOM 1222 O VAL A 80 -5.364 6.425 9.905 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.356 6.980 9.621 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.793 5.615 9.112 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.560 7.872 9.880 1.00 0.00 C ATOM 0 H VAL A 80 -7.362 8.925 10.831 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.106 6.345 11.669 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.743 7.449 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.390 5.738 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.913 5.012 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.389 5.116 9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.148 7.964 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.176 7.433 10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.221 8.859 10.194 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.281 4.754 11.100 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.169 3.837 10.878 1.00 0.00 C ATOM 1237 C GLN A 81 -5.520 2.803 9.814 1.00 0.00 C ATOM 1238 O GLN A 81 -6.695 2.541 9.551 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.791 3.135 12.184 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.362 4.090 13.286 1.00 0.00 C ATOM 1241 CD GLN A 81 -2.891 4.448 13.208 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.192 4.051 12.275 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.412 5.202 14.190 1.00 0.00 N ATOM 0 H GLN A 81 -7.036 4.372 11.670 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.317 4.418 10.526 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.643 2.551 12.532 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.981 2.432 11.988 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.957 5.001 13.224 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.571 3.638 14.255 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.027 5.509 14.944 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.429 5.475 14.191 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.495 2.218 9.204 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.695 1.212 8.167 1.00 0.00 C ATOM 1254 C LEU A 82 -4.173 -0.148 8.619 1.00 0.00 C ATOM 1255 O LEU A 82 -3.217 -0.231 9.390 1.00 0.00 O ATOM 1256 CB LEU A 82 -3.994 1.636 6.875 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.644 2.786 6.105 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -3.620 3.484 5.223 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.810 2.277 5.270 1.00 0.00 C ATOM 0 H LEU A 82 -3.517 2.423 9.410 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.766 1.126 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.970 1.920 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.937 0.770 6.215 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.027 3.509 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.101 4.300 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.817 3.883 5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.207 2.770 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.261 3.109 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.451 1.533 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.555 1.823 5.924 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.806 -1.211 8.134 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.403 -2.566 8.486 1.00 0.00 C ATOM 1273 C ILE A 83 -4.353 -3.463 7.253 1.00 0.00 C ATOM 1274 O ILE A 83 -5.286 -3.484 6.449 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.360 -3.187 9.520 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.105 -2.592 10.906 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -5.199 -4.700 9.550 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -5.924 -1.353 11.192 1.00 0.00 C ATOM 0 H ILE A 83 -5.600 -1.159 7.496 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.406 -2.496 8.922 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.385 -2.956 9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.325 -3.346 11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.047 -2.347 10.998 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.882 -5.124 10.286 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.426 -5.110 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.173 -4.951 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.692 -0.986 12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.687 -0.583 10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.985 -1.596 11.132 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.259 -4.203 7.112 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.087 -5.105 5.978 1.00 0.00 C ATOM 1292 C LEU A 84 -3.636 -6.492 6.296 1.00 0.00 C ATOM 1293 O LEU A 84 -2.952 -7.316 6.904 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.609 -5.203 5.599 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.311 -5.515 4.131 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.674 -4.330 3.250 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.153 -5.888 3.952 1.00 0.00 C ATOM 0 H LEU A 84 -2.478 -4.196 7.768 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.646 -4.699 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.126 -4.260 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.147 -5.975 6.215 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.921 -6.366 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.455 -4.570 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.736 -4.110 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.091 -3.460 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.347 -6.107 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.782 -5.057 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.381 -6.768 4.554 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.873 -6.744 5.880 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.513 -8.031 6.121 1.00 0.00 C ATOM 1311 C ARG A 85 -5.427 -8.920 4.883 1.00 0.00 C ATOM 1312 O ARG A 85 -5.217 -8.435 3.771 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.976 -7.831 6.518 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.518 -8.929 7.419 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.957 -8.654 7.828 1.00 0.00 C ATOM 1316 NE ARG A 85 -9.700 -9.886 8.078 1.00 0.00 N ATOM 1317 CZ ARG A 85 -9.612 -10.581 9.208 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -8.819 -10.165 10.185 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -10.320 -11.692 9.361 1.00 0.00 N ATOM 0 H ARG A 85 -5.452 -6.073 5.374 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.987 -8.523 6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.078 -6.872 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.585 -7.780 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.462 -9.887 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.895 -9.011 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.967 -8.036 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.454 -8.084 7.043 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.320 -10.232 7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.275 -9.310 10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.753 -10.700 11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.932 -12.014 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.252 -12.225 10.228 1.00 0.00 H new ATOM 1333 N ARG A 86 -5.590 -10.224 5.085 1.00 0.00 N ATOM 1334 CA ARG A 86 -5.530 -11.180 3.987 1.00 0.00 C ATOM 1335 C ARG A 86 -6.863 -11.903 3.821 1.00 0.00 C ATOM 1336 O ARG A 86 -7.408 -12.454 4.779 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.413 -12.198 4.229 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.517 -12.908 5.569 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.225 -13.630 5.918 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.144 -12.697 6.226 1.00 0.00 N ATOM 1341 CZ ARG A 86 -0.882 -13.070 6.409 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -0.544 -14.349 6.315 1.00 0.00 N ATOM 1343 NH2 ARG A 86 0.046 -12.162 6.685 1.00 0.00 N ATOM 0 H ARG A 86 -5.765 -10.642 5.999 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.319 -10.629 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.431 -12.941 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.451 -11.690 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.752 -12.184 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.339 -13.624 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.395 -14.284 6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.928 -14.266 5.084 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.370 -11.706 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.254 -15.050 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.426 -14.632 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.210 -11.177 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.015 -12.449 6.825 1.00 0.00 H new