USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 684 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 89 HIS : no HD1:sc= 0.769 K(o=1.9,f=-3.9!) USER MOD Set 1.2: A 119 THR OG1 : rot 79:sc= 1.16 USER MOD Set 2.1: A 22 TYR OH : rot -26:sc= 1.01 USER MOD Set 2.2: A 102 HIS :FLIP no HD1:sc= -0.0102 F(o=0.33,f=1.8) USER MOD Set 2.3: A 105 SER OG : rot -150:sc= 0.809 USER MOD Set 3.1: A 64 MET CE :methyl 174:sc= -0.0326 (180deg=-0.0911) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.1 K(o=1.1,f=-0.22) USER MOD Set 4.1: A 28 HIS : no HD1:sc= 1.05 K(o=2.4,f=-4!) USER MOD Set 4.2: A 40 SER OG : rot -86:sc= 1.31 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 1.17 (180deg=1.08) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= 2.14 (180deg=0.864) USER MOD Single : A 47 TYR OH : rot -161:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.957 K(o=0.96,f=-5.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.0876 (180deg=0) USER MOD Single : A 61 SER OG : rot -74:sc= 0.572 USER MOD Single : A 65 GLN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0417 USER MOD Single : A 71 CYS SG : rot 70:sc= -1.46 USER MOD Single : A 73 CYS SG : rot 126:sc= 0.782 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 100:sc= 0.374 USER MOD Single : A 95 MET CE :methyl -172:sc= 0 (180deg=-0.0692) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 106 THR OG1 : rot -152:sc= 0.236 USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.589) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ALA A 4 -7.914 -8.827 17.035 1.00 0.00 N ATOM 47 CA ALA A 4 -7.509 -8.832 15.628 1.00 0.00 C ATOM 48 C ALA A 4 -6.115 -9.464 15.459 1.00 0.00 C ATOM 49 O ALA A 4 -5.448 -9.794 16.439 1.00 0.00 O ATOM 50 CB ALA A 4 -7.565 -7.403 15.066 1.00 0.00 C ATOM 0 HA ALA A 4 -8.205 -9.447 15.057 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.263 -7.412 14.019 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -8.582 -7.020 15.147 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.890 -6.762 15.633 1.00 0.00 H new ATOM 56 N ASP A 5 -5.650 -9.610 14.217 1.00 0.00 N ATOM 57 CA ASP A 5 -4.325 -10.139 13.891 1.00 0.00 C ATOM 58 C ASP A 5 -3.913 -9.598 12.523 1.00 0.00 C ATOM 59 O ASP A 5 -4.783 -9.307 11.697 1.00 0.00 O ATOM 60 CB ASP A 5 -4.368 -11.674 13.860 1.00 0.00 C ATOM 61 CG ASP A 5 -2.972 -12.262 13.617 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.234 -12.489 14.601 1.00 0.00 O ATOM 63 OD2 ASP A 5 -2.611 -12.487 12.443 1.00 0.00 O ATOM 0 H ASP A 5 -6.196 -9.358 13.393 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.602 -9.830 14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.764 -12.049 14.804 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.047 -12.006 13.075 1.00 0.00 H new ATOM 68 N LEU A 6 -2.606 -9.479 12.258 1.00 0.00 N ATOM 69 CA LEU A 6 -2.076 -8.995 10.985 1.00 0.00 C ATOM 70 C LEU A 6 -2.616 -9.784 9.791 1.00 0.00 C ATOM 71 O LEU A 6 -2.795 -9.205 8.718 1.00 0.00 O ATOM 72 CB LEU A 6 -0.540 -9.075 10.978 1.00 0.00 C ATOM 73 CG LEU A 6 0.196 -8.103 11.916 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.706 -8.348 11.809 1.00 0.00 C ATOM 75 CD2 LEU A 6 -0.103 -6.632 11.608 1.00 0.00 C ATOM 0 H LEU A 6 -1.880 -9.720 12.933 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.402 -7.960 10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.249 -10.092 11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.193 -8.898 9.960 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.161 -8.296 12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.234 -7.662 12.472 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.929 -9.375 12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.030 -8.181 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.445 -5.996 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.205 -6.404 10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.172 -6.448 11.714 1.00 0.00 H new ATOM 87 N ALA A 7 -2.886 -11.083 9.948 1.00 0.00 N ATOM 88 CA ALA A 7 -3.408 -11.928 8.882 1.00 0.00 C ATOM 89 C ALA A 7 -4.802 -11.490 8.414 1.00 0.00 C ATOM 90 O ALA A 7 -5.186 -11.802 7.286 1.00 0.00 O ATOM 91 CB ALA A 7 -3.449 -13.386 9.353 1.00 0.00 C ATOM 0 H ALA A 7 -2.745 -11.578 10.829 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.737 -11.828 8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.840 -14.016 8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.442 -13.713 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.094 -13.468 10.228 1.00 0.00 H new ATOM 97 N LEU A 8 -5.568 -10.786 9.258 1.00 0.00 N ATOM 98 CA LEU A 8 -6.908 -10.321 8.905 1.00 0.00 C ATOM 99 C LEU A 8 -6.839 -9.133 7.945 1.00 0.00 C ATOM 100 O LEU A 8 -7.785 -8.910 7.188 1.00 0.00 O ATOM 101 CB LEU A 8 -7.704 -9.905 10.156 1.00 0.00 C ATOM 102 CG LEU A 8 -7.870 -10.990 11.238 1.00 0.00 C ATOM 103 CD1 LEU A 8 -8.728 -10.435 12.379 1.00 0.00 C ATOM 104 CD2 LEU A 8 -8.513 -12.276 10.703 1.00 0.00 C ATOM 0 H LEU A 8 -5.274 -10.526 10.200 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.416 -11.154 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.212 -9.042 10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.695 -9.579 9.841 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.871 -11.251 11.588 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.849 -11.198 13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.240 -9.561 12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.707 -10.150 11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.603 -13.001 11.512 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.503 -12.050 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.891 -12.692 9.910 1.00 0.00 H new ATOM 116 N ILE A 9 -5.751 -8.354 7.980 1.00 0.00 N ATOM 117 CA ILE A 9 -5.603 -7.169 7.143 1.00 0.00 C ATOM 118 C ILE A 9 -5.366 -7.657 5.708 1.00 0.00 C ATOM 119 O ILE A 9 -4.488 -8.509 5.515 1.00 0.00 O ATOM 120 CB ILE A 9 -4.417 -6.274 7.589 1.00 0.00 C ATOM 121 CG1 ILE A 9 -4.232 -6.166 9.125 1.00 0.00 C ATOM 122 CG2 ILE A 9 -4.611 -4.870 6.986 1.00 0.00 C ATOM 123 CD1 ILE A 9 -2.896 -5.560 9.572 1.00 0.00 C ATOM 0 H ILE A 9 -4.953 -8.531 8.590 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.503 -6.559 7.224 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.508 -6.750 7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.043 -5.562 9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.326 -7.161 9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.785 -4.226 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.635 -4.941 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.550 -4.447 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.858 -5.525 10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.076 -6.174 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.803 -4.550 9.173 1.00 0.00 H new ATOM 135 N PRO A 10 -6.054 -7.113 4.691 1.00 0.00 N ATOM 136 CA PRO A 10 -5.700 -7.395 3.311 1.00 0.00 C ATOM 137 C PRO A 10 -4.292 -6.866 3.034 1.00 0.00 C ATOM 138 O PRO A 10 -3.961 -5.743 3.421 1.00 0.00 O ATOM 139 CB PRO A 10 -6.764 -6.705 2.463 1.00 0.00 C ATOM 140 CG PRO A 10 -7.333 -5.608 3.360 1.00 0.00 C ATOM 141 CD PRO A 10 -7.168 -6.177 4.768 1.00 0.00 C ATOM 0 HA PRO A 10 -5.678 -8.460 3.082 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.334 -6.287 1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.540 -7.406 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.791 -4.670 3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.379 -5.403 3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.964 -5.385 5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.078 -6.679 5.096 1.00 0.00 H new ATOM 149 N ASP A 11 -3.458 -7.663 2.367 1.00 0.00 N ATOM 150 CA ASP A 11 -2.056 -7.311 2.122 1.00 0.00 C ATOM 151 C ASP A 11 -1.933 -6.204 1.069 1.00 0.00 C ATOM 152 O ASP A 11 -1.107 -5.300 1.185 1.00 0.00 O ATOM 153 CB ASP A 11 -1.285 -8.564 1.694 1.00 0.00 C ATOM 154 CG ASP A 11 0.225 -8.357 1.833 1.00 0.00 C ATOM 155 OD1 ASP A 11 0.673 -7.994 2.941 1.00 0.00 O ATOM 156 OD2 ASP A 11 0.980 -8.624 0.872 1.00 0.00 O ATOM 0 H ASP A 11 -3.731 -8.567 1.982 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.625 -6.923 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.596 -9.412 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.528 -8.809 0.660 1.00 0.00 H new ATOM 161 N VAL A 12 -2.845 -6.204 0.096 1.00 0.00 N ATOM 162 CA VAL A 12 -3.006 -5.171 -0.919 1.00 0.00 C ATOM 163 C VAL A 12 -4.507 -4.915 -0.995 1.00 0.00 C ATOM 164 O VAL A 12 -5.295 -5.865 -0.960 1.00 0.00 O ATOM 165 CB VAL A 12 -2.447 -5.641 -2.281 1.00 0.00 C ATOM 166 CG1 VAL A 12 -2.546 -4.556 -3.366 1.00 0.00 C ATOM 167 CG2 VAL A 12 -0.988 -6.100 -2.193 1.00 0.00 C ATOM 0 H VAL A 12 -3.521 -6.961 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.456 -4.264 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.075 -6.488 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.139 -4.939 -4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.591 -4.280 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.978 -3.679 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.647 -6.419 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.367 -5.275 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.910 -6.933 -1.494 1.00 0.00 H new ATOM 177 N ASP A 13 -4.902 -3.649 -1.109 1.00 0.00 N ATOM 178 CA ASP A 13 -6.274 -3.266 -1.404 1.00 0.00 C ATOM 179 C ASP A 13 -6.220 -1.951 -2.171 1.00 0.00 C ATOM 180 O ASP A 13 -5.518 -1.024 -1.759 1.00 0.00 O ATOM 181 CB ASP A 13 -7.106 -3.111 -0.127 1.00 0.00 C ATOM 182 CG ASP A 13 -8.574 -2.849 -0.494 1.00 0.00 C ATOM 183 OD1 ASP A 13 -9.282 -3.810 -0.868 1.00 0.00 O ATOM 184 OD2 ASP A 13 -9.022 -1.686 -0.410 1.00 0.00 O ATOM 0 H ASP A 13 -4.271 -2.856 -0.998 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.757 -4.044 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.028 -4.013 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.719 -2.288 0.473 1.00 0.00 H new ATOM 189 N ILE A 14 -6.915 -1.905 -3.304 1.00 0.00 N ATOM 190 CA ILE A 14 -7.021 -0.772 -4.215 1.00 0.00 C ATOM 191 C ILE A 14 -8.439 -0.824 -4.805 1.00 0.00 C ATOM 192 O ILE A 14 -9.067 -1.889 -4.805 1.00 0.00 O ATOM 193 CB ILE A 14 -5.930 -0.825 -5.322 1.00 0.00 C ATOM 194 CG1 ILE A 14 -5.982 -2.129 -6.156 1.00 0.00 C ATOM 195 CG2 ILE A 14 -4.516 -0.633 -4.738 1.00 0.00 C ATOM 196 CD1 ILE A 14 -5.096 -2.115 -7.408 1.00 0.00 C ATOM 0 H ILE A 14 -7.452 -2.709 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.856 0.169 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.151 0.005 -5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.682 -2.964 -5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.013 -2.312 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.781 -0.676 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.455 0.336 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.310 -1.423 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.192 -3.066 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.409 -1.304 -8.066 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.056 -1.965 -7.116 1.00 0.00 H new ATOM 266 N PHE A 20 -3.614 6.662 -10.083 1.00 0.00 N ATOM 267 CA PHE A 20 -3.965 7.010 -8.702 1.00 0.00 C ATOM 268 C PHE A 20 -2.724 6.961 -7.801 1.00 0.00 C ATOM 269 O PHE A 20 -1.731 6.308 -8.129 1.00 0.00 O ATOM 270 CB PHE A 20 -5.066 6.086 -8.153 1.00 0.00 C ATOM 271 CG PHE A 20 -4.790 4.591 -8.246 1.00 0.00 C ATOM 272 CD1 PHE A 20 -4.982 3.896 -9.459 1.00 0.00 C ATOM 273 CD2 PHE A 20 -4.376 3.881 -7.106 1.00 0.00 C ATOM 274 CE1 PHE A 20 -4.743 2.512 -9.529 1.00 0.00 C ATOM 275 CE2 PHE A 20 -4.155 2.495 -7.169 1.00 0.00 C ATOM 276 CZ PHE A 20 -4.330 1.810 -8.383 1.00 0.00 C ATOM 0 HA PHE A 20 -4.354 8.028 -8.705 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.237 6.339 -7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.992 6.299 -8.688 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.314 4.429 -10.337 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.226 4.405 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.877 1.988 -10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.851 1.956 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.148 0.747 -8.436 1.00 0.00 H new ATOM 286 N LYS A 21 -2.762 7.656 -6.660 1.00 0.00 N ATOM 287 CA LYS A 21 -1.684 7.631 -5.677 1.00 0.00 C ATOM 288 C LYS A 21 -1.786 6.359 -4.834 1.00 0.00 C ATOM 289 O LYS A 21 -2.873 5.794 -4.691 1.00 0.00 O ATOM 290 CB LYS A 21 -1.786 8.853 -4.756 1.00 0.00 C ATOM 291 CG LYS A 21 -1.863 10.232 -5.435 1.00 0.00 C ATOM 292 CD LYS A 21 -0.668 10.542 -6.352 1.00 0.00 C ATOM 293 CE LYS A 21 -0.786 11.921 -7.023 1.00 0.00 C ATOM 294 NZ LYS A 21 -0.707 13.056 -6.068 1.00 0.00 N ATOM 0 H LYS A 21 -3.546 8.253 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.728 7.650 -6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.670 8.733 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.922 8.850 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.781 10.288 -6.020 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.928 11.002 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.253 10.502 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.594 9.772 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.007 12.024 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.733 11.974 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.606 13.947 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.575 13.089 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.115 12.928 -5.444 1.00 0.00 H new ATOM 308 N TYR A 22 -0.684 5.942 -4.215 1.00 0.00 N ATOM 309 CA TYR A 22 -0.630 4.799 -3.312 1.00 0.00 C ATOM 310 C TYR A 22 0.409 5.086 -2.208 1.00 0.00 C ATOM 311 O TYR A 22 1.249 5.977 -2.368 1.00 0.00 O ATOM 312 CB TYR A 22 -0.344 3.513 -4.129 1.00 0.00 C ATOM 313 CG TYR A 22 1.048 2.968 -3.928 1.00 0.00 C ATOM 314 CD1 TYR A 22 2.127 3.567 -4.596 1.00 0.00 C ATOM 315 CD2 TYR A 22 1.275 2.000 -2.934 1.00 0.00 C ATOM 316 CE1 TYR A 22 3.440 3.265 -4.208 1.00 0.00 C ATOM 317 CE2 TYR A 22 2.585 1.692 -2.541 1.00 0.00 C ATOM 318 CZ TYR A 22 3.668 2.352 -3.156 1.00 0.00 C ATOM 319 OH TYR A 22 4.934 2.117 -2.726 1.00 0.00 O ATOM 0 H TYR A 22 0.218 6.403 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.584 4.636 -2.811 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.069 2.747 -3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.493 3.724 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.947 4.258 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.440 1.494 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.274 3.730 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.763 0.954 -1.773 1.00 0.00 H new ATOM 0 HH TYR A 22 5.566 2.302 -3.452 1.00 0.00 H new ATOM 329 N VAL A 23 0.379 4.337 -1.102 1.00 0.00 N ATOM 330 CA VAL A 23 1.382 4.384 -0.038 1.00 0.00 C ATOM 331 C VAL A 23 1.740 2.966 0.411 1.00 0.00 C ATOM 332 O VAL A 23 0.949 2.025 0.264 1.00 0.00 O ATOM 333 CB VAL A 23 0.927 5.248 1.163 1.00 0.00 C ATOM 334 CG1 VAL A 23 0.854 6.741 0.819 1.00 0.00 C ATOM 335 CG2 VAL A 23 -0.418 4.794 1.748 1.00 0.00 C ATOM 0 H VAL A 23 -0.365 3.663 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 23 2.272 4.863 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 23 1.697 5.102 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.530 7.301 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.838 7.091 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.142 6.893 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.685 5.437 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.189 4.859 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.336 3.763 2.093 1.00 0.00 H new ATOM 345 N LEU A 24 2.933 2.835 0.997 1.00 0.00 N ATOM 346 CA LEU A 24 3.468 1.598 1.548 1.00 0.00 C ATOM 347 C LEU A 24 3.422 1.795 3.060 1.00 0.00 C ATOM 348 O LEU A 24 4.050 2.737 3.548 1.00 0.00 O ATOM 349 CB LEU A 24 4.916 1.414 1.040 1.00 0.00 C ATOM 350 CG LEU A 24 5.519 -0.002 1.148 1.00 0.00 C ATOM 351 CD1 LEU A 24 5.344 -0.653 2.522 1.00 0.00 C ATOM 352 CD2 LEU A 24 4.930 -0.916 0.074 1.00 0.00 C ATOM 0 H LEU A 24 3.574 3.622 1.102 1.00 0.00 H new ATOM 0 HA LEU A 24 2.910 0.709 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.950 1.718 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.559 2.100 1.592 1.00 0.00 H new ATOM 0 HG LEU A 24 6.591 0.125 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.795 -1.645 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.830 -0.039 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.282 -0.739 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.366 -1.911 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.850 -0.980 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.154 -0.510 -0.912 1.00 0.00 H new ATOM 364 N ILE A 25 2.694 0.964 3.809 1.00 0.00 N ATOM 365 CA ILE A 25 2.477 1.172 5.240 1.00 0.00 C ATOM 366 C ILE A 25 3.003 -0.047 5.991 1.00 0.00 C ATOM 367 O ILE A 25 2.487 -1.154 5.838 1.00 0.00 O ATOM 368 CB ILE A 25 0.987 1.469 5.553 1.00 0.00 C ATOM 369 CG1 ILE A 25 0.462 2.682 4.751 1.00 0.00 C ATOM 370 CG2 ILE A 25 0.793 1.699 7.066 1.00 0.00 C ATOM 371 CD1 ILE A 25 -1.019 3.010 5.000 1.00 0.00 C ATOM 0 H ILE A 25 2.239 0.129 3.440 1.00 0.00 H new ATOM 0 HA ILE A 25 3.026 2.053 5.574 1.00 0.00 H new ATOM 0 HB ILE A 25 0.406 0.599 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.063 3.556 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.606 2.490 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.257 1.906 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.100 0.807 7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.399 2.547 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.306 3.873 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.633 2.154 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.169 3.236 6.056 1.00 0.00 H new ATOM 383 N ARG A 26 4.049 0.153 6.793 1.00 0.00 N ATOM 384 CA ARG A 26 4.509 -0.841 7.751 1.00 0.00 C ATOM 385 C ARG A 26 3.445 -0.856 8.845 1.00 0.00 C ATOM 386 O ARG A 26 3.004 0.215 9.269 1.00 0.00 O ATOM 387 CB ARG A 26 5.868 -0.409 8.330 1.00 0.00 C ATOM 388 CG ARG A 26 6.548 -1.519 9.152 1.00 0.00 C ATOM 389 CD ARG A 26 7.452 -0.970 10.266 1.00 0.00 C ATOM 390 NE ARG A 26 8.476 -0.023 9.787 1.00 0.00 N ATOM 391 CZ ARG A 26 9.708 -0.308 9.357 1.00 0.00 C ATOM 392 NH1 ARG A 26 10.121 -1.564 9.199 1.00 0.00 N ATOM 393 NH2 ARG A 26 10.512 0.710 9.087 1.00 0.00 N ATOM 0 H ARG A 26 4.599 1.012 6.793 1.00 0.00 H new ATOM 0 HA ARG A 26 4.643 -1.825 7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.527 -0.112 7.514 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.726 0.469 8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.783 -2.157 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.141 -2.146 8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.832 -0.474 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.946 -1.804 10.765 1.00 0.00 H new ATOM 0 HE ARG A 26 8.213 0.963 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.491 -2.338 9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.068 -1.752 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.182 1.667 9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.461 0.536 8.756 1.00 0.00 H new ATOM 407 N VAL A 27 3.068 -2.030 9.330 1.00 0.00 N ATOM 408 CA VAL A 27 2.089 -2.199 10.386 1.00 0.00 C ATOM 409 C VAL A 27 2.649 -3.251 11.342 1.00 0.00 C ATOM 410 O VAL A 27 2.906 -4.392 10.952 1.00 0.00 O ATOM 411 CB VAL A 27 0.696 -2.499 9.781 1.00 0.00 C ATOM 412 CG1 VAL A 27 0.646 -3.654 8.763 1.00 0.00 C ATOM 413 CG2 VAL A 27 -0.334 -2.743 10.890 1.00 0.00 C ATOM 0 H VAL A 27 3.447 -2.913 8.988 1.00 0.00 H new ATOM 0 HA VAL A 27 1.921 -1.294 10.969 1.00 0.00 H new ATOM 0 HB VAL A 27 0.451 -1.602 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.375 -3.778 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.302 -3.427 7.923 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.976 -4.576 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.306 -2.952 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.022 -3.594 11.495 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.407 -1.857 11.520 1.00 0.00 H new ATOM 423 N HIS A 28 2.912 -2.851 12.584 1.00 0.00 N ATOM 424 CA HIS A 28 3.242 -3.765 13.660 1.00 0.00 C ATOM 425 C HIS A 28 1.941 -4.333 14.205 1.00 0.00 C ATOM 426 O HIS A 28 0.943 -3.615 14.338 1.00 0.00 O ATOM 427 CB HIS A 28 3.969 -3.051 14.803 1.00 0.00 C ATOM 428 CG HIS A 28 5.255 -2.386 14.386 1.00 0.00 C ATOM 429 ND1 HIS A 28 6.401 -3.013 13.954 1.00 0.00 N ATOM 430 CD2 HIS A 28 5.498 -1.038 14.358 1.00 0.00 C ATOM 431 CE1 HIS A 28 7.316 -2.067 13.686 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.813 -0.840 13.915 1.00 0.00 N ATOM 0 H HIS A 28 2.900 -1.872 12.868 1.00 0.00 H new ATOM 0 HA HIS A 28 3.897 -4.544 13.269 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.305 -2.300 15.230 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.183 -3.773 15.591 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.798 -0.262 14.630 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.318 -2.264 13.335 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.291 0.052 13.791 1.00 0.00 H new ATOM 440 N SER A 29 1.975 -5.608 14.571 1.00 0.00 N ATOM 441 CA SER A 29 0.902 -6.232 15.308 1.00 0.00 C ATOM 442 C SER A 29 0.906 -5.584 16.687 1.00 0.00 C ATOM 443 O SER A 29 1.902 -5.682 17.404 1.00 0.00 O ATOM 444 CB SER A 29 1.146 -7.742 15.414 1.00 0.00 C ATOM 445 OG SER A 29 -0.071 -8.427 15.631 1.00 0.00 O ATOM 0 H SER A 29 2.753 -6.234 14.361 1.00 0.00 H new ATOM 0 HA SER A 29 -0.061 -6.097 14.815 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.616 -8.105 14.500 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.837 -7.948 16.232 1.00 0.00 H new ATOM 0 HG SER A 29 0.102 -9.389 15.695 1.00 0.00 H new ATOM 451 N ALA A 30 -0.176 -4.894 17.036 1.00 0.00 N ATOM 452 CA ALA A 30 -0.431 -4.418 18.387 1.00 0.00 C ATOM 453 C ALA A 30 -1.940 -4.518 18.675 1.00 0.00 C ATOM 454 O ALA A 30 -2.515 -3.554 19.179 1.00 0.00 O ATOM 455 CB ALA A 30 0.143 -2.999 18.558 1.00 0.00 C ATOM 0 H ALA A 30 -0.912 -4.647 16.374 1.00 0.00 H new ATOM 0 HA ALA A 30 0.076 -5.038 19.126 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.051 -2.648 19.571 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.218 -3.018 18.380 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.332 -2.326 17.844 1.00 0.00 H new ATOM 461 N PRO A 31 -2.634 -5.615 18.301 1.00 0.00 N ATOM 462 CA PRO A 31 -4.091 -5.662 18.346 1.00 0.00 C ATOM 463 C PRO A 31 -4.626 -5.354 19.750 1.00 0.00 C ATOM 464 O PRO A 31 -4.129 -5.901 20.737 1.00 0.00 O ATOM 465 CB PRO A 31 -4.474 -7.071 17.878 1.00 0.00 C ATOM 466 CG PRO A 31 -3.255 -7.551 17.101 1.00 0.00 C ATOM 467 CD PRO A 31 -2.146 -6.945 17.944 1.00 0.00 C ATOM 0 HA PRO A 31 -4.535 -4.901 17.704 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.691 -7.726 18.722 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.365 -7.054 17.250 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.194 -8.638 17.052 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.245 -7.185 16.074 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.950 -7.546 18.832 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.211 -6.887 17.386 1.00 0.00 H new ATOM 561 N GLU A 39 4.806 -8.675 16.119 1.00 0.00 N ATOM 562 CA GLU A 39 5.169 -9.036 14.750 1.00 0.00 C ATOM 563 C GLU A 39 5.061 -7.764 13.895 1.00 0.00 C ATOM 564 O GLU A 39 4.544 -6.752 14.382 1.00 0.00 O ATOM 565 CB GLU A 39 4.197 -10.104 14.196 1.00 0.00 C ATOM 566 CG GLU A 39 4.083 -11.377 15.044 1.00 0.00 C ATOM 567 CD GLU A 39 3.273 -12.473 14.330 1.00 0.00 C ATOM 568 OE1 GLU A 39 3.863 -13.275 13.570 1.00 0.00 O ATOM 569 OE2 GLU A 39 2.043 -12.566 14.543 1.00 0.00 O ATOM 0 HA GLU A 39 6.179 -9.446 14.727 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.207 -9.658 14.101 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.519 -10.381 13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.081 -11.753 15.270 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.609 -11.138 15.996 1.00 0.00 H new ATOM 576 N SER A 40 5.453 -7.826 12.619 1.00 0.00 N ATOM 577 CA SER A 40 5.288 -6.734 11.660 1.00 0.00 C ATOM 578 C SER A 40 4.918 -7.286 10.279 1.00 0.00 C ATOM 579 O SER A 40 5.187 -8.449 9.962 1.00 0.00 O ATOM 580 CB SER A 40 6.565 -5.884 11.559 1.00 0.00 C ATOM 581 OG SER A 40 7.119 -5.567 12.828 1.00 0.00 O ATOM 0 H SER A 40 5.901 -8.650 12.219 1.00 0.00 H new ATOM 0 HA SER A 40 4.480 -6.096 12.018 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.307 -6.421 10.968 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.340 -4.961 11.025 1.00 0.00 H new ATOM 0 HG SER A 40 6.688 -4.760 13.181 1.00 0.00 H new ATOM 587 N LYS A 41 4.299 -6.435 9.462 1.00 0.00 N ATOM 588 CA LYS A 41 3.828 -6.683 8.102 1.00 0.00 C ATOM 589 C LYS A 41 3.930 -5.354 7.354 1.00 0.00 C ATOM 590 O LYS A 41 4.044 -4.297 7.977 1.00 0.00 O ATOM 591 CB LYS A 41 2.384 -7.226 8.196 1.00 0.00 C ATOM 592 CG LYS A 41 1.519 -7.210 6.922 1.00 0.00 C ATOM 593 CD LYS A 41 0.183 -7.901 7.208 1.00 0.00 C ATOM 594 CE LYS A 41 -0.718 -7.968 5.970 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.774 -9.003 6.111 1.00 0.00 N ATOM 0 H LYS A 41 4.099 -5.480 9.758 1.00 0.00 H new ATOM 0 HA LYS A 41 4.415 -7.424 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.437 -8.256 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.861 -6.652 8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.348 -6.184 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.038 -7.719 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.370 -8.911 7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.336 -7.366 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.182 -6.996 5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.112 -8.185 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.644 -8.677 5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.454 -9.888 5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.964 -9.170 7.120 1.00 0.00 H new ATOM 609 N GLU A 42 3.844 -5.384 6.028 1.00 0.00 N ATOM 610 CA GLU A 42 3.730 -4.191 5.207 1.00 0.00 C ATOM 611 C GLU A 42 2.493 -4.386 4.336 1.00 0.00 C ATOM 612 O GLU A 42 2.384 -5.411 3.664 1.00 0.00 O ATOM 613 CB GLU A 42 4.984 -3.987 4.339 1.00 0.00 C ATOM 614 CG GLU A 42 6.271 -3.640 5.106 1.00 0.00 C ATOM 615 CD GLU A 42 6.936 -4.851 5.794 1.00 0.00 C ATOM 616 OE1 GLU A 42 7.270 -5.844 5.107 1.00 0.00 O ATOM 617 OE2 GLU A 42 7.188 -4.798 7.018 1.00 0.00 O ATOM 0 H GLU A 42 3.852 -6.250 5.490 1.00 0.00 H new ATOM 0 HA GLU A 42 3.640 -3.300 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.158 -4.896 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.783 -3.191 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.984 -3.191 4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.041 -2.887 5.860 1.00 0.00 H new ATOM 624 N ILE A 43 1.575 -3.421 4.355 1.00 0.00 N ATOM 625 CA ILE A 43 0.375 -3.389 3.524 1.00 0.00 C ATOM 626 C ILE A 43 0.489 -2.284 2.470 1.00 0.00 C ATOM 627 O ILE A 43 1.211 -1.298 2.653 1.00 0.00 O ATOM 628 CB ILE A 43 -0.902 -3.255 4.393 1.00 0.00 C ATOM 629 CG1 ILE A 43 -0.945 -1.963 5.244 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.055 -4.518 5.249 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.201 -1.785 6.113 1.00 0.00 C ATOM 0 H ILE A 43 1.650 -2.612 4.972 1.00 0.00 H new ATOM 0 HA ILE A 43 0.287 -4.336 2.992 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.756 -3.163 3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.070 -1.947 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.862 -1.106 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.951 -4.434 5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.141 -5.389 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.182 -4.630 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.130 -0.849 6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.085 -1.762 5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.280 -2.617 6.813 1.00 0.00 H new ATOM 643 N VAL A 44 -0.244 -2.451 1.369 1.00 0.00 N ATOM 644 CA VAL A 44 -0.213 -1.570 0.204 1.00 0.00 C ATOM 645 C VAL A 44 -1.628 -1.023 0.017 1.00 0.00 C ATOM 646 O VAL A 44 -2.578 -1.812 -0.061 1.00 0.00 O ATOM 647 CB VAL A 44 0.255 -2.377 -1.030 1.00 0.00 C ATOM 648 CG1 VAL A 44 0.476 -1.483 -2.255 1.00 0.00 C ATOM 649 CG2 VAL A 44 1.550 -3.167 -0.780 1.00 0.00 C ATOM 0 H VAL A 44 -0.896 -3.228 1.261 1.00 0.00 H new ATOM 0 HA VAL A 44 0.483 -0.742 0.336 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.557 -3.079 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.804 -2.093 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.457 -0.981 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.238 -0.738 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.824 -3.711 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.351 -2.477 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.394 -3.873 0.035 1.00 0.00 H new ATOM 659 N ARG A 45 -1.786 0.303 -0.045 1.00 0.00 N ATOM 660 CA ARG A 45 -3.072 0.990 -0.220 1.00 0.00 C ATOM 661 C ARG A 45 -2.914 1.985 -1.355 1.00 0.00 C ATOM 662 O ARG A 45 -1.853 2.599 -1.453 1.00 0.00 O ATOM 663 CB ARG A 45 -3.434 1.807 1.039 1.00 0.00 C ATOM 664 CG ARG A 45 -3.647 1.036 2.344 1.00 0.00 C ATOM 665 CD ARG A 45 -4.880 0.118 2.332 1.00 0.00 C ATOM 666 NE ARG A 45 -4.519 -1.212 1.833 1.00 0.00 N ATOM 667 CZ ARG A 45 -4.497 -2.358 2.516 1.00 0.00 C ATOM 668 NH1 ARG A 45 -5.099 -2.491 3.693 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.828 -3.374 1.997 1.00 0.00 N ATOM 0 H ARG A 45 -0.999 0.948 0.027 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.845 0.246 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.642 2.538 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.345 2.367 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.761 0.435 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.745 1.748 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.291 0.037 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.658 0.551 1.703 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.254 -1.268 0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.599 -1.702 4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.061 -3.383 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.350 -3.266 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.790 -4.265 2.492 1.00 0.00 H new ATOM 683 N GLY A 46 -3.956 2.230 -2.143 1.00 0.00 N ATOM 684 CA GLY A 46 -3.953 3.317 -3.107 1.00 0.00 C ATOM 685 C GLY A 46 -5.318 3.471 -3.741 1.00 0.00 C ATOM 686 O GLY A 46 -5.924 2.476 -4.143 1.00 0.00 O ATOM 0 H GLY A 46 -4.818 1.684 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.668 4.247 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.208 3.124 -3.878 1.00 0.00 H new ATOM 690 N TYR A 47 -5.798 4.713 -3.828 1.00 0.00 N ATOM 691 CA TYR A 47 -7.116 5.029 -4.358 1.00 0.00 C ATOM 692 C TYR A 47 -7.077 6.438 -4.945 1.00 0.00 C ATOM 693 O TYR A 47 -6.212 7.238 -4.587 1.00 0.00 O ATOM 694 CB TYR A 47 -8.201 4.949 -3.275 1.00 0.00 C ATOM 695 CG TYR A 47 -8.119 3.745 -2.357 1.00 0.00 C ATOM 696 CD1 TYR A 47 -7.315 3.828 -1.209 1.00 0.00 C ATOM 697 CD2 TYR A 47 -8.823 2.560 -2.638 1.00 0.00 C ATOM 698 CE1 TYR A 47 -7.216 2.739 -0.329 1.00 0.00 C ATOM 699 CE2 TYR A 47 -8.724 1.457 -1.768 1.00 0.00 C ATOM 700 CZ TYR A 47 -7.922 1.547 -0.605 1.00 0.00 C ATOM 701 OH TYR A 47 -7.833 0.513 0.272 1.00 0.00 O ATOM 0 H TYR A 47 -5.272 5.534 -3.528 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.367 4.297 -5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.150 5.852 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.176 4.947 -3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.769 4.736 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.440 2.496 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.602 2.812 0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.259 0.545 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.099 -0.318 -0.174 1.00 0.00 H new ATOM 711 N LYS A 48 -8.021 6.771 -5.832 1.00 0.00 N ATOM 712 CA LYS A 48 -8.031 8.071 -6.503 1.00 0.00 C ATOM 713 C LYS A 48 -8.592 9.138 -5.562 1.00 0.00 C ATOM 714 O LYS A 48 -8.224 10.306 -5.684 1.00 0.00 O ATOM 715 CB LYS A 48 -8.809 7.958 -7.828 1.00 0.00 C ATOM 716 CG LYS A 48 -8.649 9.190 -8.737 1.00 0.00 C ATOM 717 CD LYS A 48 -9.348 8.962 -10.088 1.00 0.00 C ATOM 718 CE LYS A 48 -9.183 10.140 -11.062 1.00 0.00 C ATOM 719 NZ LYS A 48 -9.902 11.366 -10.628 1.00 0.00 N ATOM 0 H LYS A 48 -8.789 6.155 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.017 8.381 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.470 7.072 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.867 7.812 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.071 10.067 -8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.591 9.394 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.948 8.059 -10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.410 8.788 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.123 10.368 -11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.547 9.843 -12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.751 12.122 -11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.919 11.163 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.539 11.672 -9.703 1.00 0.00 H new ATOM 733 N TRP A 49 -9.437 8.743 -4.598 1.00 0.00 N ATOM 734 CA TRP A 49 -9.939 9.646 -3.572 1.00 0.00 C ATOM 735 C TRP A 49 -8.802 10.218 -2.715 1.00 0.00 C ATOM 736 O TRP A 49 -8.885 11.376 -2.302 1.00 0.00 O ATOM 737 CB TRP A 49 -11.060 8.979 -2.748 1.00 0.00 C ATOM 738 CG TRP A 49 -10.871 7.596 -2.170 1.00 0.00 C ATOM 739 CD1 TRP A 49 -11.516 6.485 -2.598 1.00 0.00 C ATOM 740 CD2 TRP A 49 -10.098 7.157 -1.004 1.00 0.00 C ATOM 741 NE1 TRP A 49 -11.215 5.413 -1.783 1.00 0.00 N ATOM 742 CE2 TRP A 49 -10.344 5.768 -0.777 1.00 0.00 C ATOM 743 CE3 TRP A 49 -9.218 7.789 -0.103 1.00 0.00 C ATOM 744 CZ2 TRP A 49 -9.736 5.053 0.271 1.00 0.00 C ATOM 745 CZ3 TRP A 49 -8.554 7.069 0.909 1.00 0.00 C ATOM 746 CH2 TRP A 49 -8.795 5.697 1.088 1.00 0.00 C ATOM 0 H TRP A 49 -9.786 7.788 -4.515 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.394 10.506 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.288 9.646 -1.917 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.947 8.944 -3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.172 6.444 -3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.591 4.473 -1.910 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.049 8.852 -0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.991 4.018 0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.852 7.577 1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.261 5.144 1.847 1.00 0.00 H new ATOM 757 N ALA A 50 -7.719 9.463 -2.496 1.00 0.00 N ATOM 758 CA ALA A 50 -6.531 9.959 -1.819 1.00 0.00 C ATOM 759 C ALA A 50 -5.603 10.622 -2.836 1.00 0.00 C ATOM 760 O ALA A 50 -4.555 10.084 -3.188 1.00 0.00 O ATOM 761 CB ALA A 50 -5.829 8.855 -1.039 1.00 0.00 C ATOM 0 H ALA A 50 -7.649 8.488 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.829 10.708 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.946 9.262 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.509 8.451 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.529 8.061 -1.723 1.00 0.00 H new ATOM 767 N GLU A 51 -5.998 11.793 -3.330 1.00 0.00 N ATOM 768 CA GLU A 51 -5.191 12.572 -4.268 1.00 0.00 C ATOM 769 C GLU A 51 -3.855 13.031 -3.633 1.00 0.00 C ATOM 770 O GLU A 51 -2.927 13.401 -4.354 1.00 0.00 O ATOM 771 CB GLU A 51 -6.049 13.751 -4.763 1.00 0.00 C ATOM 772 CG GLU A 51 -5.411 14.544 -5.913 1.00 0.00 C ATOM 773 CD GLU A 51 -6.388 15.583 -6.491 1.00 0.00 C ATOM 774 OE1 GLU A 51 -6.460 16.719 -5.968 1.00 0.00 O ATOM 775 OE2 GLU A 51 -7.080 15.287 -7.492 1.00 0.00 O ATOM 0 H GLU A 51 -6.888 12.230 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.904 11.955 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.017 13.371 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.237 14.427 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.513 15.047 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.100 13.858 -6.701 1.00 0.00 H new ATOM 782 N TYR A 52 -3.727 12.965 -2.302 1.00 0.00 N ATOM 783 CA TYR A 52 -2.538 13.307 -1.524 1.00 0.00 C ATOM 784 C TYR A 52 -2.211 12.118 -0.618 1.00 0.00 C ATOM 785 O TYR A 52 -3.122 11.432 -0.140 1.00 0.00 O ATOM 786 CB TYR A 52 -2.728 14.610 -0.724 1.00 0.00 C ATOM 787 CG TYR A 52 -4.147 14.986 -0.332 1.00 0.00 C ATOM 788 CD1 TYR A 52 -5.005 15.542 -1.299 1.00 0.00 C ATOM 789 CD2 TYR A 52 -4.596 14.820 0.991 1.00 0.00 C ATOM 790 CE1 TYR A 52 -6.320 15.905 -0.961 1.00 0.00 C ATOM 791 CE2 TYR A 52 -5.908 15.189 1.342 1.00 0.00 C ATOM 792 CZ TYR A 52 -6.779 15.728 0.366 1.00 0.00 C ATOM 793 OH TYR A 52 -8.049 16.075 0.717 1.00 0.00 O ATOM 0 H TYR A 52 -4.496 12.653 -1.709 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.700 13.499 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.135 14.536 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.311 15.429 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.650 15.691 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.933 14.409 1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.978 16.318 -1.711 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.251 15.060 2.358 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.190 15.883 1.668 1.00 0.00 H new ATOM 803 N HIS A 53 -0.923 11.846 -0.393 1.00 0.00 N ATOM 804 CA HIS A 53 -0.487 10.616 0.264 1.00 0.00 C ATOM 805 C HIS A 53 -0.888 10.577 1.735 1.00 0.00 C ATOM 806 O HIS A 53 -1.253 9.506 2.231 1.00 0.00 O ATOM 807 CB HIS A 53 1.025 10.428 0.098 1.00 0.00 C ATOM 808 CG HIS A 53 1.429 10.209 -1.339 1.00 0.00 C ATOM 809 ND1 HIS A 53 2.218 11.060 -2.119 1.00 0.00 N ATOM 810 CD2 HIS A 53 1.072 9.134 -2.094 1.00 0.00 C ATOM 811 CE1 HIS A 53 2.326 10.475 -3.319 1.00 0.00 C ATOM 812 NE2 HIS A 53 1.641 9.323 -3.328 1.00 0.00 N ATOM 0 H HIS A 53 -0.160 12.468 -0.660 1.00 0.00 H new ATOM 0 HA HIS A 53 -0.997 9.785 -0.223 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.541 11.306 0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.349 9.577 0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.462 8.299 -1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.882 10.872 -4.155 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.556 8.690 -4.123 1.00 0.00 H new ATOM 820 N ALA A 54 -0.893 11.724 2.422 1.00 0.00 N ATOM 821 CA ALA A 54 -1.382 11.807 3.791 1.00 0.00 C ATOM 822 C ALA A 54 -2.812 11.281 3.939 1.00 0.00 C ATOM 823 O ALA A 54 -3.147 10.799 5.019 1.00 0.00 O ATOM 824 CB ALA A 54 -1.308 13.247 4.308 1.00 0.00 C ATOM 0 H ALA A 54 -0.560 12.611 2.044 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.732 11.169 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.678 13.285 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.274 13.590 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.919 13.892 3.677 1.00 0.00 H new ATOM 830 N ASP A 55 -3.658 11.360 2.902 1.00 0.00 N ATOM 831 CA ASP A 55 -5.064 10.982 3.046 1.00 0.00 C ATOM 832 C ASP A 55 -5.215 9.478 3.268 1.00 0.00 C ATOM 833 O ASP A 55 -5.885 9.060 4.213 1.00 0.00 O ATOM 834 CB ASP A 55 -5.890 11.393 1.826 1.00 0.00 C ATOM 835 CG ASP A 55 -7.388 11.320 2.160 1.00 0.00 C ATOM 836 OD1 ASP A 55 -7.873 12.157 2.955 1.00 0.00 O ATOM 837 OD2 ASP A 55 -8.086 10.442 1.615 1.00 0.00 O ATOM 0 H ASP A 55 -3.395 11.678 1.969 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.439 11.514 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.625 12.406 1.521 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.664 10.737 0.985 1.00 0.00 H new ATOM 842 N ILE A 56 -4.550 8.663 2.436 1.00 0.00 N ATOM 843 CA ILE A 56 -4.551 7.212 2.600 1.00 0.00 C ATOM 844 C ILE A 56 -3.837 6.840 3.888 1.00 0.00 C ATOM 845 O ILE A 56 -4.319 5.949 4.590 1.00 0.00 O ATOM 846 CB ILE A 56 -3.937 6.417 1.412 1.00 0.00 C ATOM 847 CG1 ILE A 56 -2.939 7.190 0.510 1.00 0.00 C ATOM 848 CG2 ILE A 56 -5.074 5.702 0.670 1.00 0.00 C ATOM 849 CD1 ILE A 56 -2.673 6.563 -0.866 1.00 0.00 C ATOM 0 H ILE A 56 -4.003 8.992 1.640 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.602 6.923 2.634 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.260 5.670 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.317 8.202 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.990 7.279 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.664 5.138 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.582 5.020 1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.785 6.439 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.963 7.180 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.260 5.563 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.607 6.500 -1.424 1.00 0.00 H new ATOM 861 N TYR A 57 -2.715 7.498 4.204 1.00 0.00 N ATOM 862 CA TYR A 57 -1.989 7.143 5.406 1.00 0.00 C ATOM 863 C TYR A 57 -2.871 7.377 6.628 1.00 0.00 C ATOM 864 O TYR A 57 -3.088 6.434 7.376 1.00 0.00 O ATOM 865 CB TYR A 57 -0.655 7.886 5.525 1.00 0.00 C ATOM 866 CG TYR A 57 0.086 7.505 6.796 1.00 0.00 C ATOM 867 CD1 TYR A 57 0.396 6.153 7.045 1.00 0.00 C ATOM 868 CD2 TYR A 57 0.412 8.482 7.757 1.00 0.00 C ATOM 869 CE1 TYR A 57 1.038 5.776 8.235 1.00 0.00 C ATOM 870 CE2 TYR A 57 1.059 8.114 8.951 1.00 0.00 C ATOM 871 CZ TYR A 57 1.379 6.757 9.191 1.00 0.00 C ATOM 872 OH TYR A 57 2.010 6.375 10.336 1.00 0.00 O ATOM 0 H TYR A 57 -2.308 8.256 3.656 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.739 6.084 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.033 7.660 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.835 8.961 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.138 5.401 6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.164 9.518 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.271 4.737 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.311 8.867 9.683 1.00 0.00 H new ATOM 0 HH TYR A 57 2.180 7.162 10.894 1.00 0.00 H new ATOM 882 N ASP A 58 -3.441 8.573 6.800 1.00 0.00 N ATOM 883 CA ASP A 58 -4.247 8.904 7.975 1.00 0.00 C ATOM 884 C ASP A 58 -5.463 7.984 8.109 1.00 0.00 C ATOM 885 O ASP A 58 -5.758 7.503 9.204 1.00 0.00 O ATOM 886 CB ASP A 58 -4.712 10.361 7.907 1.00 0.00 C ATOM 887 CG ASP A 58 -5.617 10.700 9.102 1.00 0.00 C ATOM 888 OD1 ASP A 58 -5.096 10.900 10.222 1.00 0.00 O ATOM 889 OD2 ASP A 58 -6.851 10.800 8.923 1.00 0.00 O ATOM 0 H ASP A 58 -3.356 9.337 6.129 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.616 8.760 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.847 11.024 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.252 10.532 6.976 1.00 0.00 H new ATOM 894 N LYS A 59 -6.150 7.705 6.996 1.00 0.00 N ATOM 895 CA LYS A 59 -7.304 6.810 6.971 1.00 0.00 C ATOM 896 C LYS A 59 -6.913 5.410 7.429 1.00 0.00 C ATOM 897 O LYS A 59 -7.556 4.854 8.321 1.00 0.00 O ATOM 898 CB LYS A 59 -7.890 6.826 5.549 1.00 0.00 C ATOM 899 CG LYS A 59 -8.997 5.787 5.295 1.00 0.00 C ATOM 900 CD LYS A 59 -10.058 6.375 4.360 1.00 0.00 C ATOM 901 CE LYS A 59 -11.046 5.297 3.892 1.00 0.00 C ATOM 902 NZ LYS A 59 -12.009 5.823 2.892 1.00 0.00 N ATOM 0 H LYS A 59 -5.917 8.098 6.084 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.069 7.150 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.291 7.819 5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.083 6.657 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.569 4.887 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.455 5.492 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.599 7.169 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.573 6.828 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.494 4.462 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.592 4.908 4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.897 5.284 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.200 6.826 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.606 5.728 1.938 1.00 0.00 H new ATOM 916 N VAL A 60 -5.862 4.836 6.849 1.00 0.00 N ATOM 917 CA VAL A 60 -5.568 3.429 7.062 1.00 0.00 C ATOM 918 C VAL A 60 -4.758 3.219 8.341 1.00 0.00 C ATOM 919 O VAL A 60 -5.052 2.266 9.059 1.00 0.00 O ATOM 920 CB VAL A 60 -4.958 2.825 5.784 1.00 0.00 C ATOM 921 CG1 VAL A 60 -4.638 1.335 5.994 1.00 0.00 C ATOM 922 CG2 VAL A 60 -5.985 2.986 4.636 1.00 0.00 C ATOM 0 H VAL A 60 -5.208 5.321 6.235 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.488 2.872 7.240 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.029 3.340 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.208 0.923 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.925 1.228 6.812 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.554 0.797 6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.574 2.565 3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.905 2.463 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.199 4.044 4.485 1.00 0.00 H new ATOM 932 N SER A 61 -3.819 4.096 8.710 1.00 0.00 N ATOM 933 CA SER A 61 -3.177 4.003 10.014 1.00 0.00 C ATOM 934 C SER A 61 -4.210 4.239 11.114 1.00 0.00 C ATOM 935 O SER A 61 -4.101 3.638 12.182 1.00 0.00 O ATOM 936 CB SER A 61 -1.984 4.961 10.126 1.00 0.00 C ATOM 937 OG SER A 61 -2.382 6.316 10.195 1.00 0.00 O ATOM 0 H SER A 61 -3.493 4.868 8.128 1.00 0.00 H new ATOM 0 HA SER A 61 -2.772 2.998 10.136 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.403 4.711 11.014 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.328 4.822 9.266 1.00 0.00 H new ATOM 0 HG SER A 61 -2.682 6.614 9.311 1.00 0.00 H new ATOM 943 N GLY A 62 -5.227 5.070 10.861 1.00 0.00 N ATOM 944 CA GLY A 62 -6.368 5.239 11.739 1.00 0.00 C ATOM 945 C GLY A 62 -7.095 3.913 11.922 1.00 0.00 C ATOM 946 O GLY A 62 -7.321 3.501 13.056 1.00 0.00 O ATOM 0 H GLY A 62 -5.272 5.650 10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.038 5.617 12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.049 5.981 11.322 1.00 0.00 H new ATOM 950 N ASP A 63 -7.421 3.204 10.835 1.00 0.00 N ATOM 951 CA ASP A 63 -8.084 1.904 10.934 1.00 0.00 C ATOM 952 C ASP A 63 -7.220 0.884 11.669 1.00 0.00 C ATOM 953 O ASP A 63 -7.720 0.193 12.554 1.00 0.00 O ATOM 954 CB ASP A 63 -8.492 1.352 9.567 1.00 0.00 C ATOM 955 CG ASP A 63 -9.366 0.100 9.762 1.00 0.00 C ATOM 956 OD1 ASP A 63 -10.602 0.253 9.895 1.00 0.00 O ATOM 957 OD2 ASP A 63 -8.832 -1.030 9.775 1.00 0.00 O ATOM 0 H ASP A 63 -7.236 3.510 9.880 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.992 2.074 11.512 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.041 2.108 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.606 1.103 8.984 1.00 0.00 H new ATOM 962 N MET A 64 -5.917 0.830 11.373 1.00 0.00 N ATOM 963 CA MET A 64 -5.008 -0.087 12.051 1.00 0.00 C ATOM 964 C MET A 64 -4.999 0.207 13.544 1.00 0.00 C ATOM 965 O MET A 64 -5.157 -0.712 14.339 1.00 0.00 O ATOM 966 CB MET A 64 -3.584 -0.008 11.485 1.00 0.00 C ATOM 967 CG MET A 64 -3.452 -0.519 10.042 1.00 0.00 C ATOM 968 SD MET A 64 -4.110 -2.175 9.726 1.00 0.00 S ATOM 969 CE MET A 64 -5.673 -1.710 8.950 1.00 0.00 C ATOM 0 H MET A 64 -5.472 1.414 10.665 1.00 0.00 H new ATOM 0 HA MET A 64 -5.369 -1.101 11.880 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.246 1.028 11.524 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.918 -0.585 12.126 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.958 0.184 9.380 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.397 -0.510 9.769 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.178 -2.604 8.585 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.307 -1.208 9.681 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.479 -1.037 8.115 1.00 0.00 H new ATOM 979 N GLN A 65 -4.898 1.474 13.938 1.00 0.00 N ATOM 980 CA GLN A 65 -4.897 1.885 15.331 1.00 0.00 C ATOM 981 C GLN A 65 -6.258 1.666 15.998 1.00 0.00 C ATOM 982 O GLN A 65 -6.297 1.412 17.201 1.00 0.00 O ATOM 983 CB GLN A 65 -4.454 3.349 15.411 1.00 0.00 C ATOM 984 CG GLN A 65 -2.936 3.502 15.205 1.00 0.00 C ATOM 985 CD GLN A 65 -2.543 4.972 15.083 1.00 0.00 C ATOM 986 OE1 GLN A 65 -2.024 5.584 16.013 1.00 0.00 O ATOM 987 NE2 GLN A 65 -2.796 5.568 13.930 1.00 0.00 N ATOM 0 H GLN A 65 -4.813 2.253 13.285 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.193 1.263 15.884 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.983 3.930 14.656 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.732 3.760 16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.405 3.049 16.042 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.632 2.965 14.306 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.227 5.044 13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.560 6.552 13.802 1.00 0.00 H new ATOM 996 N LYS A 66 -7.367 1.700 15.251 1.00 0.00 N ATOM 997 CA LYS A 66 -8.670 1.288 15.770 1.00 0.00 C ATOM 998 C LYS A 66 -8.679 -0.223 16.020 1.00 0.00 C ATOM 999 O LYS A 66 -9.239 -0.646 17.032 1.00 0.00 O ATOM 1000 CB LYS A 66 -9.806 1.756 14.843 1.00 0.00 C ATOM 1001 CG LYS A 66 -10.075 3.263 15.025 1.00 0.00 C ATOM 1002 CD LYS A 66 -11.204 3.816 14.140 1.00 0.00 C ATOM 1003 CE LYS A 66 -10.837 3.864 12.647 1.00 0.00 C ATOM 1004 NZ LYS A 66 -11.922 4.462 11.827 1.00 0.00 N ATOM 0 H LYS A 66 -7.385 2.011 14.280 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.848 1.772 16.730 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.542 1.552 13.805 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.713 1.191 15.058 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.322 3.452 16.070 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.158 3.812 14.810 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.093 3.199 14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.462 4.820 14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.923 4.443 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.628 2.855 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.635 4.476 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.788 3.895 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.104 5.434 12.148 1.00 0.00 H new ATOM 1018 N GLN A 67 -8.032 -1.040 15.173 1.00 0.00 N ATOM 1019 CA GLN A 67 -7.814 -2.458 15.486 1.00 0.00 C ATOM 1020 C GLN A 67 -6.800 -2.607 16.641 1.00 0.00 C ATOM 1021 O GLN A 67 -6.816 -3.606 17.360 1.00 0.00 O ATOM 1022 CB GLN A 67 -7.349 -3.238 14.241 1.00 0.00 C ATOM 1023 CG GLN A 67 -8.367 -3.216 13.086 1.00 0.00 C ATOM 1024 CD GLN A 67 -7.911 -4.065 11.894 1.00 0.00 C ATOM 1025 OE1 GLN A 67 -7.508 -5.216 12.045 1.00 0.00 O ATOM 1026 NE2 GLN A 67 -7.968 -3.543 10.680 1.00 0.00 N ATOM 0 H GLN A 67 -7.654 -0.744 14.273 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.765 -2.884 15.807 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.406 -2.819 13.891 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.153 -4.273 14.523 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.328 -3.584 13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.521 -2.188 12.759 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.302 -2.588 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.678 -4.096 9.873 1.00 0.00 H new ATOM 1035 N GLY A 68 -5.919 -1.620 16.827 1.00 0.00 N ATOM 1036 CA GLY A 68 -4.910 -1.501 17.877 1.00 0.00 C ATOM 1037 C GLY A 68 -3.496 -1.420 17.292 1.00 0.00 C ATOM 1038 O GLY A 68 -2.603 -0.843 17.912 1.00 0.00 O ATOM 0 H GLY A 68 -5.893 -0.820 16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.109 -0.611 18.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.979 -2.358 18.548 1.00 0.00 H new ATOM 1042 N CYS A 69 -3.312 -1.989 16.097 1.00 0.00 N ATOM 1043 CA CYS A 69 -2.057 -2.079 15.369 1.00 0.00 C ATOM 1044 C CYS A 69 -1.435 -0.699 15.151 1.00 0.00 C ATOM 1045 O CYS A 69 -2.134 0.308 15.064 1.00 0.00 O ATOM 1046 CB CYS A 69 -2.317 -2.795 14.043 1.00 0.00 C ATOM 1047 SG CYS A 69 -2.731 -4.532 14.385 1.00 0.00 S ATOM 0 H CYS A 69 -4.083 -2.422 15.589 1.00 0.00 H new ATOM 0 HA CYS A 69 -1.336 -2.650 15.954 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -3.133 -2.311 13.507 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.436 -2.736 13.403 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.957 -5.153 13.265 1.00 0.00 H new ATOM 1053 N ASP A 70 -0.114 -0.658 15.017 1.00 0.00 N ATOM 1054 CA ASP A 70 0.661 0.582 15.020 1.00 0.00 C ATOM 1055 C ASP A 70 1.394 0.686 13.689 1.00 0.00 C ATOM 1056 O ASP A 70 1.901 -0.329 13.214 1.00 0.00 O ATOM 1057 CB ASP A 70 1.609 0.550 16.218 1.00 0.00 C ATOM 1058 CG ASP A 70 2.509 1.795 16.234 1.00 0.00 C ATOM 1059 OD1 ASP A 70 1.976 2.927 16.263 1.00 0.00 O ATOM 1060 OD2 ASP A 70 3.750 1.648 16.237 1.00 0.00 O ATOM 0 H ASP A 70 0.458 -1.495 14.902 1.00 0.00 H new ATOM 0 HA ASP A 70 0.030 1.465 15.121 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.033 0.500 17.142 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.224 -0.349 16.177 1.00 0.00 H new ATOM 1065 N CYS A 71 1.477 1.878 13.089 1.00 0.00 N ATOM 1066 CA CYS A 71 1.927 2.025 11.705 1.00 0.00 C ATOM 1067 C CYS A 71 2.992 3.092 11.469 1.00 0.00 C ATOM 1068 O CYS A 71 3.219 3.972 12.302 1.00 0.00 O ATOM 1069 CB CYS A 71 0.703 2.356 10.845 1.00 0.00 C ATOM 1070 SG CYS A 71 -0.464 0.981 10.874 1.00 0.00 S ATOM 0 H CYS A 71 1.236 2.758 13.545 1.00 0.00 H new ATOM 0 HA CYS A 71 2.401 1.080 11.438 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.221 3.260 11.217 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.013 2.559 9.820 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.006 0.897 12.053 1.00 0.00 H new ATOM 1076 N GLU A 72 3.601 3.015 10.282 1.00 0.00 N ATOM 1077 CA GLU A 72 4.530 3.978 9.719 1.00 0.00 C ATOM 1078 C GLU A 72 4.421 3.848 8.194 1.00 0.00 C ATOM 1079 O GLU A 72 4.610 2.752 7.666 1.00 0.00 O ATOM 1080 CB GLU A 72 5.943 3.618 10.215 1.00 0.00 C ATOM 1081 CG GLU A 72 7.056 4.376 9.486 1.00 0.00 C ATOM 1082 CD GLU A 72 8.443 3.973 10.015 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.877 2.827 9.756 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.108 4.800 10.682 1.00 0.00 O ATOM 0 H GLU A 72 3.443 2.226 9.655 1.00 0.00 H new ATOM 0 HA GLU A 72 4.314 5.004 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.010 3.828 11.282 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.102 2.547 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.998 4.172 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.913 5.449 9.614 1.00 0.00 H new ATOM 1091 N CYS A 73 4.096 4.919 7.465 1.00 0.00 N ATOM 1092 CA CYS A 73 4.206 4.900 6.010 1.00 0.00 C ATOM 1093 C CYS A 73 5.705 4.915 5.681 1.00 0.00 C ATOM 1094 O CYS A 73 6.422 5.835 6.083 1.00 0.00 O ATOM 1095 CB CYS A 73 3.438 6.062 5.350 1.00 0.00 C ATOM 1096 SG CYS A 73 3.645 7.609 6.276 1.00 0.00 S ATOM 0 H CYS A 73 3.759 5.799 7.856 1.00 0.00 H new ATOM 0 HA CYS A 73 3.741 4.003 5.601 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.791 6.199 4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 73 2.379 5.812 5.290 1.00 0.00 H new ATOM 0 HG CYS A 73 4.069 8.541 5.475 1.00 0.00 H new ATOM 1102 N LEU A 74 6.195 3.893 4.972 1.00 0.00 N ATOM 1103 CA LEU A 74 7.582 3.860 4.515 1.00 0.00 C ATOM 1104 C LEU A 74 7.809 4.931 3.442 1.00 0.00 C ATOM 1105 O LEU A 74 8.927 5.424 3.300 1.00 0.00 O ATOM 1106 CB LEU A 74 7.959 2.471 3.968 1.00 0.00 C ATOM 1107 CG LEU A 74 7.905 1.309 4.979 1.00 0.00 C ATOM 1108 CD1 LEU A 74 8.506 0.049 4.344 1.00 0.00 C ATOM 1109 CD2 LEU A 74 8.661 1.606 6.279 1.00 0.00 C ATOM 0 H LEU A 74 5.647 3.076 4.703 1.00 0.00 H new ATOM 0 HA LEU A 74 8.224 4.069 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.292 2.236 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.968 2.525 3.560 1.00 0.00 H new ATOM 0 HG LEU A 74 6.855 1.165 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.468 -0.773 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.936 -0.218 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.543 0.240 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.585 0.749 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.710 1.798 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.227 2.482 6.761 1.00 0.00 H new ATOM 1121 N GLY A 75 6.756 5.300 2.706 1.00 0.00 N ATOM 1122 CA GLY A 75 6.764 6.353 1.708 1.00 0.00 C ATOM 1123 C GLY A 75 5.454 6.331 0.931 1.00 0.00 C ATOM 1124 O GLY A 75 4.530 5.581 1.273 1.00 0.00 O ATOM 0 H GLY A 75 5.845 4.851 2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.897 7.322 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.604 6.216 1.027 1.00 0.00 H new ATOM 1128 N GLY A 76 5.391 7.126 -0.135 1.00 0.00 N ATOM 1129 CA GLY A 76 4.255 7.180 -1.042 1.00 0.00 C ATOM 1130 C GLY A 76 4.730 7.253 -2.486 1.00 0.00 C ATOM 1131 O GLY A 76 5.899 7.546 -2.747 1.00 0.00 O ATOM 0 H GLY A 76 6.145 7.762 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.629 6.299 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.639 8.049 -0.811 1.00 0.00 H new ATOM 1135 N GLY A 77 3.819 6.985 -3.416 1.00 0.00 N ATOM 1136 CA GLY A 77 4.092 6.924 -4.840 1.00 0.00 C ATOM 1137 C GLY A 77 2.782 6.877 -5.617 1.00 0.00 C ATOM 1138 O GLY A 77 1.719 7.225 -5.102 1.00 0.00 O ATOM 0 H GLY A 77 2.842 6.799 -3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.675 7.793 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.691 6.042 -5.067 1.00 0.00 H new ATOM 1142 N ARG A 78 2.828 6.462 -6.872 1.00 0.00 N ATOM 1143 CA ARG A 78 1.707 6.498 -7.795 1.00 0.00 C ATOM 1144 C ARG A 78 1.721 5.200 -8.585 1.00 0.00 C ATOM 1145 O ARG A 78 2.792 4.677 -8.903 1.00 0.00 O ATOM 1146 CB ARG A 78 1.855 7.763 -8.660 1.00 0.00 C ATOM 1147 CG ARG A 78 0.982 7.788 -9.923 1.00 0.00 C ATOM 1148 CD ARG A 78 1.165 9.115 -10.668 1.00 0.00 C ATOM 1149 NE ARG A 78 0.638 9.025 -12.035 1.00 0.00 N ATOM 1150 CZ ARG A 78 0.655 9.995 -12.956 1.00 0.00 C ATOM 1151 NH1 ARG A 78 1.069 11.224 -12.651 1.00 0.00 N ATOM 1152 NH2 ARG A 78 0.241 9.715 -14.188 1.00 0.00 N ATOM 0 H ARG A 78 3.676 6.078 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 78 0.737 6.561 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.611 8.633 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.899 7.863 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.250 6.957 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.066 7.656 -9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.654 9.913 -10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.223 9.377 -10.698 1.00 0.00 H new ATOM 0 HE ARG A 78 0.218 8.137 -12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.379 11.437 -11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.076 11.952 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.082 8.775 -14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.246 10.441 -14.905 1.00 0.00 H new ATOM 1166 N ILE A 79 0.527 4.707 -8.894 1.00 0.00 N ATOM 1167 CA ILE A 79 0.294 3.569 -9.759 1.00 0.00 C ATOM 1168 C ILE A 79 -0.386 4.165 -10.993 1.00 0.00 C ATOM 1169 O ILE A 79 -1.311 4.975 -10.866 1.00 0.00 O ATOM 1170 CB ILE A 79 -0.556 2.491 -9.036 1.00 0.00 C ATOM 1171 CG1 ILE A 79 0.194 1.944 -7.794 1.00 0.00 C ATOM 1172 CG2 ILE A 79 -0.900 1.331 -9.996 1.00 0.00 C ATOM 1173 CD1 ILE A 79 -0.623 1.003 -6.897 1.00 0.00 C ATOM 0 H ILE A 79 -0.337 5.110 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 79 1.206 3.042 -10.040 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.483 2.960 -8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.085 1.415 -8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.533 2.788 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.496 0.587 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.467 1.716 -10.843 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.020 0.871 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.009 0.676 -6.058 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.501 1.529 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.940 0.134 -7.474 1.00 0.00 H new ATOM 1333 N HIS A 89 2.285 0.092 -13.381 1.00 0.00 N ATOM 1334 CA HIS A 89 3.642 0.481 -13.042 1.00 0.00 C ATOM 1335 C HIS A 89 3.605 1.376 -11.814 1.00 0.00 C ATOM 1336 O HIS A 89 2.656 2.147 -11.649 1.00 0.00 O ATOM 1337 CB HIS A 89 4.257 1.187 -14.254 1.00 0.00 C ATOM 1338 CG HIS A 89 5.739 1.417 -14.139 1.00 0.00 C ATOM 1339 ND1 HIS A 89 6.727 0.531 -14.507 1.00 0.00 N ATOM 1340 CD2 HIS A 89 6.355 2.563 -13.710 1.00 0.00 C ATOM 1341 CE1 HIS A 89 7.912 1.138 -14.320 1.00 0.00 C ATOM 1342 NE2 HIS A 89 7.736 2.378 -13.827 1.00 0.00 N ATOM 0 HA HIS A 89 4.259 -0.385 -12.802 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.060 0.593 -15.147 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.760 2.147 -14.394 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.861 3.452 -13.346 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.872 0.692 -14.535 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.465 3.049 -13.587 1.00 0.00 H new ATOM 1350 N VAL A 90 4.635 1.285 -10.972 1.00 0.00 N ATOM 1351 CA VAL A 90 4.687 1.935 -9.670 1.00 0.00 C ATOM 1352 C VAL A 90 5.960 2.784 -9.622 1.00 0.00 C ATOM 1353 O VAL A 90 7.042 2.306 -9.960 1.00 0.00 O ATOM 1354 CB VAL A 90 4.646 0.885 -8.535 1.00 0.00 C ATOM 1355 CG1 VAL A 90 4.242 1.559 -7.218 1.00 0.00 C ATOM 1356 CG2 VAL A 90 3.680 -0.285 -8.795 1.00 0.00 C ATOM 0 H VAL A 90 5.473 0.744 -11.185 1.00 0.00 H new ATOM 0 HA VAL A 90 3.819 2.579 -9.525 1.00 0.00 H new ATOM 0 HB VAL A 90 5.652 0.468 -8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.215 0.815 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.968 2.332 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.256 2.010 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.711 -0.976 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.667 0.099 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.978 -0.808 -9.704 1.00 0.00 H new ATOM 1366 N TYR A 91 5.841 4.052 -9.241 1.00 0.00 N ATOM 1367 CA TYR A 91 6.945 5.007 -9.174 1.00 0.00 C ATOM 1368 C TYR A 91 6.506 6.170 -8.277 1.00 0.00 C ATOM 1369 O TYR A 91 5.454 6.076 -7.643 1.00 0.00 O ATOM 1370 CB TYR A 91 7.334 5.476 -10.594 1.00 0.00 C ATOM 1371 CG TYR A 91 6.423 6.512 -11.239 1.00 0.00 C ATOM 1372 CD1 TYR A 91 5.057 6.241 -11.467 1.00 0.00 C ATOM 1373 CD2 TYR A 91 6.952 7.763 -11.613 1.00 0.00 C ATOM 1374 CE1 TYR A 91 4.227 7.218 -12.043 1.00 0.00 C ATOM 1375 CE2 TYR A 91 6.130 8.745 -12.192 1.00 0.00 C ATOM 1376 CZ TYR A 91 4.759 8.475 -12.410 1.00 0.00 C ATOM 1377 OH TYR A 91 3.948 9.412 -12.977 1.00 0.00 O ATOM 0 H TYR A 91 4.947 4.457 -8.962 1.00 0.00 H new ATOM 0 HA TYR A 91 7.835 4.546 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 91 8.343 5.886 -10.554 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.371 4.602 -11.244 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.648 5.279 -11.198 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.000 7.970 -11.453 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.180 7.008 -12.206 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.544 9.703 -12.470 1.00 0.00 H new ATOM 0 HH TYR A 91 4.467 10.221 -13.169 1.00 0.00 H new ATOM 1387 N GLY A 92 7.248 7.276 -8.229 1.00 0.00 N ATOM 1388 CA GLY A 92 6.793 8.498 -7.574 1.00 0.00 C ATOM 1389 C GLY A 92 7.446 8.696 -6.213 1.00 0.00 C ATOM 1390 O GLY A 92 8.196 7.841 -5.734 1.00 0.00 O ATOM 0 H GLY A 92 8.178 7.348 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.016 9.354 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.710 8.463 -7.454 1.00 0.00 H new ATOM 1394 N TYR A 93 7.145 9.832 -5.582 1.00 0.00 N ATOM 1395 CA TYR A 93 7.504 10.086 -4.196 1.00 0.00 C ATOM 1396 C TYR A 93 6.503 11.049 -3.567 1.00 0.00 C ATOM 1397 O TYR A 93 5.999 11.956 -4.235 1.00 0.00 O ATOM 1398 CB TYR A 93 8.939 10.630 -4.078 1.00 0.00 C ATOM 1399 CG TYR A 93 9.352 11.753 -5.015 1.00 0.00 C ATOM 1400 CD1 TYR A 93 9.074 13.095 -4.691 1.00 0.00 C ATOM 1401 CD2 TYR A 93 10.095 11.455 -6.175 1.00 0.00 C ATOM 1402 CE1 TYR A 93 9.537 14.134 -5.518 1.00 0.00 C ATOM 1403 CE2 TYR A 93 10.565 12.488 -7.005 1.00 0.00 C ATOM 1404 CZ TYR A 93 10.294 13.836 -6.675 1.00 0.00 C ATOM 1405 OH TYR A 93 10.771 14.852 -7.448 1.00 0.00 O ATOM 0 H TYR A 93 6.643 10.602 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 93 7.470 9.141 -3.655 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.082 10.978 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.626 9.798 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.503 13.327 -3.804 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.305 10.426 -6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.314 15.161 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.132 12.252 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 93 11.271 14.480 -8.204 1.00 0.00 H new ATOM 1415 N SER A 94 6.205 10.830 -2.287 1.00 0.00 N ATOM 1416 CA SER A 94 5.464 11.784 -1.473 1.00 0.00 C ATOM 1417 C SER A 94 6.411 12.955 -1.177 1.00 0.00 C ATOM 1418 O SER A 94 7.631 12.818 -1.329 1.00 0.00 O ATOM 1419 CB SER A 94 4.989 11.064 -0.200 1.00 0.00 C ATOM 1420 OG SER A 94 4.657 11.940 0.849 1.00 0.00 O ATOM 0 H SER A 94 6.473 9.982 -1.787 1.00 0.00 H new ATOM 0 HA SER A 94 4.578 12.175 -1.974 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.120 10.452 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.772 10.385 0.138 1.00 0.00 H new ATOM 0 HG SER A 94 3.684 12.054 0.884 1.00 0.00 H new ATOM 1426 N MET A 95 5.883 14.086 -0.699 1.00 0.00 N ATOM 1427 CA MET A 95 6.717 15.167 -0.185 1.00 0.00 C ATOM 1428 C MET A 95 6.694 15.180 1.342 1.00 0.00 C ATOM 1429 O MET A 95 7.710 15.536 1.944 1.00 0.00 O ATOM 1430 CB MET A 95 6.328 16.522 -0.788 1.00 0.00 C ATOM 1431 CG MET A 95 4.902 16.966 -0.450 1.00 0.00 C ATOM 1432 SD MET A 95 4.468 18.625 -1.057 1.00 0.00 S ATOM 1433 CE MET A 95 5.438 19.668 0.070 1.00 0.00 C ATOM 0 H MET A 95 4.881 14.273 -0.659 1.00 0.00 H new ATOM 0 HA MET A 95 7.745 14.982 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 95 7.027 17.280 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.435 16.470 -1.872 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.201 16.244 -0.869 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.774 16.943 0.632 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.170 20.714 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.227 19.384 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.500 19.533 -0.133 1.00 0.00 H new ATOM 1443 N ALA A 96 5.598 14.758 1.987 1.00 0.00 N ATOM 1444 CA ALA A 96 5.579 14.632 3.440 1.00 0.00 C ATOM 1445 C ALA A 96 6.330 13.378 3.916 1.00 0.00 C ATOM 1446 O ALA A 96 6.815 13.369 5.050 1.00 0.00 O ATOM 1447 CB ALA A 96 4.136 14.629 3.945 1.00 0.00 C ATOM 0 H ALA A 96 4.725 14.502 1.526 1.00 0.00 H new ATOM 0 HA ALA A 96 6.100 15.493 3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.131 14.535 5.031 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.649 15.561 3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.598 13.789 3.505 1.00 0.00 H new ATOM 1453 N TYR A 97 6.461 12.348 3.069 1.00 0.00 N ATOM 1454 CA TYR A 97 6.958 11.028 3.466 1.00 0.00 C ATOM 1455 C TYR A 97 7.995 10.433 2.499 1.00 0.00 C ATOM 1456 O TYR A 97 8.598 9.409 2.825 1.00 0.00 O ATOM 1457 CB TYR A 97 5.762 10.074 3.624 1.00 0.00 C ATOM 1458 CG TYR A 97 4.606 10.614 4.451 1.00 0.00 C ATOM 1459 CD1 TYR A 97 4.709 10.692 5.854 1.00 0.00 C ATOM 1460 CD2 TYR A 97 3.426 11.050 3.817 1.00 0.00 C ATOM 1461 CE1 TYR A 97 3.623 11.152 6.624 1.00 0.00 C ATOM 1462 CE2 TYR A 97 2.334 11.491 4.578 1.00 0.00 C ATOM 1463 CZ TYR A 97 2.420 11.540 5.987 1.00 0.00 C ATOM 1464 OH TYR A 97 1.350 11.977 6.710 1.00 0.00 O ATOM 0 H TYR A 97 6.222 12.411 2.079 1.00 0.00 H new ATOM 0 HA TYR A 97 7.483 11.154 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.389 9.818 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.114 9.149 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.626 10.397 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.362 11.045 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.708 11.209 7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.423 11.795 4.084 1.00 0.00 H new ATOM 0 HH TYR A 97 0.614 12.200 6.103 1.00 0.00 H new ATOM 1474 N GLY A 98 8.251 11.061 1.344 1.00 0.00 N ATOM 1475 CA GLY A 98 9.302 10.636 0.418 1.00 0.00 C ATOM 1476 C GLY A 98 8.924 9.407 -0.424 1.00 0.00 C ATOM 1477 O GLY A 98 7.765 8.974 -0.410 1.00 0.00 O ATOM 0 H GLY A 98 7.732 11.880 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.542 11.463 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.205 10.413 0.986 1.00 0.00 H new ATOM 1481 N PRO A 99 9.875 8.861 -1.208 1.00 0.00 N ATOM 1482 CA PRO A 99 9.670 7.649 -1.995 1.00 0.00 C ATOM 1483 C PRO A 99 9.494 6.427 -1.090 1.00 0.00 C ATOM 1484 O PRO A 99 9.994 6.390 0.037 1.00 0.00 O ATOM 1485 CB PRO A 99 10.920 7.497 -2.873 1.00 0.00 C ATOM 1486 CG PRO A 99 12.004 8.236 -2.091 1.00 0.00 C ATOM 1487 CD PRO A 99 11.240 9.346 -1.368 1.00 0.00 C ATOM 0 HA PRO A 99 8.764 7.721 -2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.179 6.449 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.771 7.933 -3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.510 7.575 -1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.768 8.642 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.692 9.563 -0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.260 10.271 -1.944 1.00 0.00 H new ATOM 1495 N ALA A 100 8.835 5.400 -1.625 1.00 0.00 N ATOM 1496 CA ALA A 100 8.713 4.085 -1.013 1.00 0.00 C ATOM 1497 C ALA A 100 9.632 3.092 -1.731 1.00 0.00 C ATOM 1498 O ALA A 100 10.108 3.355 -2.839 1.00 0.00 O ATOM 1499 CB ALA A 100 7.261 3.628 -1.150 1.00 0.00 C ATOM 0 H ALA A 100 8.358 5.466 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 100 8.999 4.132 0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.145 2.643 -0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.607 4.338 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.994 3.576 -2.206 1.00 0.00 H new ATOM 1505 N GLN A 101 9.851 1.924 -1.119 1.00 0.00 N ATOM 1506 CA GLN A 101 10.515 0.802 -1.770 1.00 0.00 C ATOM 1507 C GLN A 101 9.489 0.119 -2.670 1.00 0.00 C ATOM 1508 O GLN A 101 8.834 -0.840 -2.258 1.00 0.00 O ATOM 1509 CB GLN A 101 11.096 -0.183 -0.743 1.00 0.00 C ATOM 1510 CG GLN A 101 12.266 0.394 0.059 1.00 0.00 C ATOM 1511 CD GLN A 101 13.449 0.811 -0.822 1.00 0.00 C ATOM 1512 OE1 GLN A 101 13.957 0.032 -1.624 1.00 0.00 O ATOM 1513 NE2 GLN A 101 13.906 2.048 -0.711 1.00 0.00 N ATOM 0 H GLN A 101 9.571 1.735 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 101 11.358 1.160 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 101 10.307 -0.485 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.429 -1.082 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 101 11.920 1.258 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.603 -0.347 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 101 13.480 2.691 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.684 2.358 -1.293 1.00 0.00 H new ATOM 1522 N HIS A 102 9.339 0.616 -3.897 1.00 0.00 N ATOM 1523 CA HIS A 102 8.374 0.093 -4.861 1.00 0.00 C ATOM 1524 C HIS A 102 8.578 -1.393 -5.181 1.00 0.00 C ATOM 1525 O HIS A 102 7.649 -2.032 -5.667 1.00 0.00 O ATOM 1526 CB HIS A 102 8.372 0.964 -6.122 1.00 0.00 C ATOM 1527 CG HIS A 102 7.988 2.387 -5.805 1.00 0.00 C ATOM 1528 ND1 HIS A 102 6.827 2.766 -5.189 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 8.793 3.503 -5.869 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 6.914 4.124 -4.878 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 8.129 4.517 -5.285 1.00 0.00 N flip ATOM 0 H HIS A 102 9.888 1.399 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 102 7.388 0.146 -4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.361 0.946 -6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.675 0.551 -6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.778 3.555 -6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.157 4.733 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.501 5.460 -5.168 1.00 0.00 H new ATOM 1539 N ALA A 103 9.748 -1.953 -4.851 1.00 0.00 N ATOM 1540 CA ALA A 103 10.024 -3.382 -4.901 1.00 0.00 C ATOM 1541 C ALA A 103 9.031 -4.176 -4.043 1.00 0.00 C ATOM 1542 O ALA A 103 8.563 -5.237 -4.457 1.00 0.00 O ATOM 1543 CB ALA A 103 11.452 -3.625 -4.392 1.00 0.00 C ATOM 0 H ALA A 103 10.547 -1.404 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 103 9.920 -3.722 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.673 -4.692 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 103 12.160 -3.089 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.538 -3.267 -3.366 1.00 0.00 H new ATOM 1549 N ILE A 104 8.709 -3.676 -2.843 1.00 0.00 N ATOM 1550 CA ILE A 104 7.756 -4.321 -1.951 1.00 0.00 C ATOM 1551 C ILE A 104 6.384 -4.269 -2.632 1.00 0.00 C ATOM 1552 O ILE A 104 5.692 -5.287 -2.711 1.00 0.00 O ATOM 1553 CB ILE A 104 7.754 -3.626 -0.565 1.00 0.00 C ATOM 1554 CG1 ILE A 104 9.172 -3.554 0.050 1.00 0.00 C ATOM 1555 CG2 ILE A 104 6.794 -4.357 0.391 1.00 0.00 C ATOM 1556 CD1 ILE A 104 9.235 -2.769 1.364 1.00 0.00 C ATOM 0 H ILE A 104 9.105 -2.813 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 104 8.028 -5.361 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 104 7.410 -2.602 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 104 9.534 -4.567 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 104 9.848 -3.094 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.800 -3.861 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.785 -4.337 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.117 -5.391 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.260 -2.762 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 104 8.904 -1.745 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 104 8.586 -3.241 2.101 1.00 0.00 H new ATOM 1568 N SER A 105 6.011 -3.098 -3.154 1.00 0.00 N ATOM 1569 CA SER A 105 4.724 -2.868 -3.782 1.00 0.00 C ATOM 1570 C SER A 105 4.511 -3.827 -4.946 1.00 0.00 C ATOM 1571 O SER A 105 3.479 -4.489 -4.991 1.00 0.00 O ATOM 1572 CB SER A 105 4.617 -1.413 -4.255 1.00 0.00 C ATOM 1573 OG SER A 105 5.324 -0.564 -3.374 1.00 0.00 O ATOM 0 H SER A 105 6.611 -2.273 -3.148 1.00 0.00 H new ATOM 0 HA SER A 105 3.943 -3.053 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.019 -1.320 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.570 -1.113 -4.300 1.00 0.00 H new ATOM 0 HG SER A 105 4.900 0.319 -3.360 1.00 0.00 H new ATOM 1579 N THR A 106 5.463 -3.944 -5.872 1.00 0.00 N ATOM 1580 CA THR A 106 5.268 -4.757 -7.059 1.00 0.00 C ATOM 1581 C THR A 106 5.160 -6.229 -6.696 1.00 0.00 C ATOM 1582 O THR A 106 4.243 -6.877 -7.187 1.00 0.00 O ATOM 1583 CB THR A 106 6.383 -4.504 -8.078 1.00 0.00 C ATOM 1584 OG1 THR A 106 7.648 -4.503 -7.448 1.00 0.00 O ATOM 1585 CG2 THR A 106 6.145 -3.155 -8.749 1.00 0.00 C ATOM 0 H THR A 106 6.372 -3.485 -5.818 1.00 0.00 H new ATOM 0 HA THR A 106 4.326 -4.467 -7.525 1.00 0.00 H new ATOM 0 HB THR A 106 6.371 -5.301 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.266 -3.938 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.934 -2.966 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.180 -3.166 -9.255 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.150 -2.368 -7.995 1.00 0.00 H new ATOM 1593 N GLU A 107 6.011 -6.758 -5.814 1.00 0.00 N ATOM 1594 CA GLU A 107 5.920 -8.157 -5.410 1.00 0.00 C ATOM 1595 C GLU A 107 4.540 -8.450 -4.812 1.00 0.00 C ATOM 1596 O GLU A 107 3.910 -9.450 -5.164 1.00 0.00 O ATOM 1597 CB GLU A 107 7.043 -8.515 -4.425 1.00 0.00 C ATOM 1598 CG GLU A 107 8.398 -8.665 -5.133 1.00 0.00 C ATOM 1599 CD GLU A 107 9.492 -9.154 -4.165 1.00 0.00 C ATOM 1600 OE1 GLU A 107 9.570 -10.376 -3.899 1.00 0.00 O ATOM 1601 OE2 GLU A 107 10.306 -8.337 -3.678 1.00 0.00 O ATOM 0 H GLU A 107 6.767 -6.238 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 107 6.045 -8.783 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.116 -7.741 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.795 -9.445 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.301 -9.369 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.693 -7.708 -5.563 1.00 0.00 H new ATOM 1608 N LYS A 108 4.032 -7.557 -3.957 1.00 0.00 N ATOM 1609 CA LYS A 108 2.726 -7.742 -3.336 1.00 0.00 C ATOM 1610 C LYS A 108 1.598 -7.597 -4.356 1.00 0.00 C ATOM 1611 O LYS A 108 0.691 -8.427 -4.363 1.00 0.00 O ATOM 1612 CB LYS A 108 2.568 -6.767 -2.163 1.00 0.00 C ATOM 1613 CG LYS A 108 3.466 -7.159 -0.982 1.00 0.00 C ATOM 1614 CD LYS A 108 3.304 -6.170 0.179 1.00 0.00 C ATOM 1615 CE LYS A 108 4.081 -6.658 1.405 1.00 0.00 C ATOM 1616 NZ LYS A 108 3.306 -7.664 2.163 1.00 0.00 N ATOM 0 H LYS A 108 4.510 -6.699 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 108 2.662 -8.758 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.816 -5.758 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.527 -6.750 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 108 3.214 -8.165 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.507 -7.182 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.664 -5.186 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.249 -6.061 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.031 -7.089 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 108 4.314 -5.812 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.953 -8.239 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.625 -7.182 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.794 -8.280 1.500 1.00 0.00 H new ATOM 1630 N ILE A 109 1.627 -6.593 -5.235 1.00 0.00 N ATOM 1631 CA ILE A 109 0.570 -6.383 -6.225 1.00 0.00 C ATOM 1632 C ILE A 109 0.582 -7.551 -7.231 1.00 0.00 C ATOM 1633 O ILE A 109 -0.489 -8.041 -7.589 1.00 0.00 O ATOM 1634 CB ILE A 109 0.685 -4.973 -6.869 1.00 0.00 C ATOM 1635 CG1 ILE A 109 0.527 -3.836 -5.823 1.00 0.00 C ATOM 1636 CG2 ILE A 109 -0.405 -4.744 -7.939 1.00 0.00 C ATOM 1637 CD1 ILE A 109 1.078 -2.486 -6.307 1.00 0.00 C ATOM 0 H ILE A 109 2.380 -5.906 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.411 -6.390 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 109 1.679 -4.943 -7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -0.529 -3.723 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.040 -4.122 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.292 -3.748 -8.366 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.304 -5.490 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.390 -4.832 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.936 -1.735 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.141 -2.585 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.548 -2.179 -7.209 1.00 0.00 H new ATOM 1649 N LYS A 110 1.753 -8.071 -7.637 1.00 0.00 N ATOM 1650 CA LYS A 110 1.842 -9.272 -8.477 1.00 0.00 C ATOM 1651 C LYS A 110 1.173 -10.448 -7.765 1.00 0.00 C ATOM 1652 O LYS A 110 0.377 -11.152 -8.382 1.00 0.00 O ATOM 1653 CB LYS A 110 3.306 -9.636 -8.807 1.00 0.00 C ATOM 1654 CG LYS A 110 4.042 -8.706 -9.787 1.00 0.00 C ATOM 1655 CD LYS A 110 5.535 -9.075 -9.815 1.00 0.00 C ATOM 1656 CE LYS A 110 6.315 -8.208 -10.811 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.759 -8.554 -10.860 1.00 0.00 N ATOM 0 H LYS A 110 2.659 -7.671 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 110 1.330 -9.059 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.869 -9.663 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.322 -10.645 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.614 -8.799 -10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.918 -7.667 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.958 -8.954 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.645 -10.126 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.883 -8.325 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.206 -7.159 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.240 -7.940 -11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.181 -8.418 -9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.868 -9.547 -11.148 1.00 0.00 H new ATOM 1786 N VAL A 118 3.296 -6.431 -12.936 1.00 0.00 N ATOM 1787 CA VAL A 118 3.502 -5.090 -12.411 1.00 0.00 C ATOM 1788 C VAL A 118 5.002 -4.808 -12.520 1.00 0.00 C ATOM 1789 O VAL A 118 5.800 -5.738 -12.377 1.00 0.00 O ATOM 1790 CB VAL A 118 3.038 -5.000 -10.934 1.00 0.00 C ATOM 1791 CG1 VAL A 118 2.699 -3.555 -10.538 1.00 0.00 C ATOM 1792 CG2 VAL A 118 1.821 -5.871 -10.579 1.00 0.00 C ATOM 0 HA VAL A 118 2.921 -4.358 -12.972 1.00 0.00 H new ATOM 0 HB VAL A 118 3.894 -5.380 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 118 2.378 -3.529 -9.497 1.00 0.00 H new ATOM 0 HG12 VAL A 118 3.582 -2.927 -10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.897 -3.182 -11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.574 -5.739 -9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.970 -5.574 -11.191 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.056 -6.918 -10.768 1.00 0.00 H new ATOM 1802 N THR A 119 5.400 -3.556 -12.722 1.00 0.00 N ATOM 1803 CA THR A 119 6.803 -3.151 -12.782 1.00 0.00 C ATOM 1804 C THR A 119 6.994 -1.848 -11.999 1.00 0.00 C ATOM 1805 O THR A 119 6.017 -1.244 -11.544 1.00 0.00 O ATOM 1806 CB THR A 119 7.257 -3.060 -14.256 1.00 0.00 C ATOM 1807 OG1 THR A 119 6.317 -2.344 -15.038 1.00 0.00 O ATOM 1808 CG2 THR A 119 7.465 -4.460 -14.844 1.00 0.00 C ATOM 0 H THR A 119 4.749 -2.782 -12.851 1.00 0.00 H new ATOM 0 HA THR A 119 7.441 -3.897 -12.308 1.00 0.00 H new ATOM 0 HB THR A 119 8.204 -2.521 -14.277 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.437 -1.382 -14.894 1.00 0.00 H new ATOM 0 HG21 THR A 119 7.784 -4.375 -15.883 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.229 -4.985 -14.271 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.529 -5.017 -14.797 1.00 0.00 H new ATOM 1816 N TRP A 120 8.241 -1.416 -11.793 1.00 0.00 N ATOM 1817 CA TRP A 120 8.519 -0.168 -11.093 1.00 0.00 C ATOM 1818 C TRP A 120 9.741 0.539 -11.657 1.00 0.00 C ATOM 1819 O TRP A 120 10.544 -0.051 -12.387 1.00 0.00 O ATOM 1820 CB TRP A 120 8.679 -0.384 -9.576 1.00 0.00 C ATOM 1821 CG TRP A 120 9.837 -1.216 -9.110 1.00 0.00 C ATOM 1822 CD1 TRP A 120 9.937 -2.560 -9.209 1.00 0.00 C ATOM 1823 CD2 TRP A 120 11.069 -0.778 -8.454 1.00 0.00 C ATOM 1824 NE1 TRP A 120 11.115 -2.988 -8.636 1.00 0.00 N ATOM 1825 CE2 TRP A 120 11.855 -1.932 -8.151 1.00 0.00 C ATOM 1826 CE3 TRP A 120 11.609 0.477 -8.087 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 13.099 -1.848 -7.507 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 12.857 0.570 -7.442 1.00 0.00 C ATOM 1829 CH2 TRP A 120 13.601 -0.586 -7.149 1.00 0.00 C ATOM 0 H TRP A 120 9.073 -1.917 -12.104 1.00 0.00 H new ATOM 0 HA TRP A 120 7.653 0.474 -11.254 1.00 0.00 H new ATOM 0 HB2 TRP A 120 8.758 0.595 -9.104 1.00 0.00 H new ATOM 0 HB3 TRP A 120 7.764 -0.844 -9.204 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.202 -3.204 -9.669 1.00 0.00 H new ATOM 0 HE1 TRP A 120 11.403 -3.965 -8.578 1.00 0.00 H new ATOM 0 HE3 TRP A 120 11.055 1.378 -8.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 13.663 -2.743 -7.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 13.247 1.540 -7.170 1.00 0.00 H new ATOM 0 HH2 TRP A 120 14.555 -0.504 -6.650 1.00 0.00 H new