USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 112:sc= 0.859 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.752 USER MOD Set 2.1: A 7 THR OG1 : rot 170:sc=0.000316 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.32 (180deg=0.9) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.12 (180deg=-0.828!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.111 K(o=0.11,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.47 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= 0.125 (180deg=0.00917) USER MOD Single : A 31 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.41) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0451) USER MOD Single : A 40 GLN : amide:sc= -0.088 K(o=-0.088,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.3,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.02 K(o=1,f=-5.8!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.317 USER MOD Single : A 60 ASN : amide:sc= -0.0686 X(o=-0.069,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.964 -6.795 -4.598 1.00 9.67 N ATOM 2 CA MET A 1 11.836 -7.384 -3.211 1.00 10.38 C ATOM 3 C MET A 1 10.379 -7.720 -2.933 1.00 9.62 C ATOM 4 O MET A 1 9.494 -7.207 -3.620 1.00 9.62 O ATOM 5 CB MET A 1 12.349 -6.324 -2.166 1.00 13.77 C ATOM 6 CG MET A 1 11.393 -5.108 -1.975 1.00 16.29 C ATOM 7 SD MET A 1 12.083 -3.689 -1.171 1.00 17.17 S ATOM 8 CE MET A 1 10.730 -2.503 -1.617 1.00 16.11 C ATOM 0 H1 MET A 1 12.763 -6.129 -4.620 1.00 9.67 H new ATOM 0 H2 MET A 1 12.130 -7.558 -5.285 1.00 9.67 H new ATOM 0 H3 MET A 1 11.087 -6.292 -4.844 1.00 9.67 H new ATOM 0 HA MET A 1 12.429 -8.295 -3.135 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.490 -6.816 -1.204 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.326 -5.959 -2.484 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.028 -4.802 -2.955 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.527 -5.440 -1.401 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.958 -1.520 -1.205 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.651 -2.432 -2.702 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.785 -2.858 -1.207 1.00 16.11 H new ATOM 20 N GLN A 2 10.047 -8.426 -1.796 1.00 9.27 N ATOM 21 CA GLN A 2 8.662 -8.640 -1.368 1.00 9.07 C ATOM 22 C GLN A 2 8.344 -7.975 0.008 1.00 8.72 C ATOM 23 O GLN A 2 9.203 -7.828 0.870 1.00 8.22 O ATOM 24 CB GLN A 2 8.288 -10.170 -1.191 1.00 14.46 C ATOM 25 CG GLN A 2 8.137 -10.859 -2.578 1.00 17.01 C ATOM 26 CD GLN A 2 7.860 -12.336 -2.580 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.891 -12.861 -3.120 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.814 -13.075 -1.931 1.00 19.49 N ATOM 0 H GLN A 2 10.739 -8.847 -1.176 1.00 9.27 H new ATOM 0 HA GLN A 2 8.082 -8.189 -2.173 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.060 -10.674 -0.610 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.358 -10.260 -0.630 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.330 -10.362 -3.117 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.052 -10.685 -3.144 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.608 -12.610 -1.492 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.730 -14.091 -1.887 1.00 19.49 H new ATOM 37 N ILE A 3 7.119 -7.480 0.125 1.00 5.87 N ATOM 38 CA ILE A 3 6.566 -6.940 1.377 1.00 5.07 C ATOM 39 C ILE A 3 5.144 -7.472 1.707 1.00 4.01 C ATOM 40 O ILE A 3 4.493 -8.122 0.911 1.00 4.61 O ATOM 41 CB ILE A 3 6.560 -5.364 1.250 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.663 -4.872 0.076 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.050 -4.782 1.256 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.244 -3.389 0.229 1.00 10.83 C ATOM 0 H ILE A 3 6.464 -7.438 -0.656 1.00 5.87 H new ATOM 0 HA ILE A 3 7.192 -7.271 2.206 1.00 5.07 H new ATOM 0 HB ILE A 3 6.085 -4.944 2.137 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.199 -4.999 -0.864 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.770 -5.494 0.020 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.017 -3.696 1.167 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.544 -5.055 2.189 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.606 -5.198 0.416 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.620 -3.098 -0.616 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.682 -3.263 1.155 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.134 -2.760 0.256 1.00 10.83 H new ATOM 56 N PHE A 4 4.587 -7.162 2.882 1.00 4.55 N ATOM 57 CA PHE A 4 3.277 -7.682 3.323 1.00 4.68 C ATOM 58 C PHE A 4 2.271 -6.550 3.528 1.00 5.30 C ATOM 59 O PHE A 4 2.584 -5.629 4.273 1.00 5.58 O ATOM 60 CB PHE A 4 3.349 -8.438 4.639 1.00 4.83 C ATOM 61 CG PHE A 4 4.499 -9.424 4.601 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.532 -10.503 3.699 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.651 -9.203 5.394 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.653 -11.312 3.549 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.757 -9.978 5.274 1.00 10.61 C ATOM 66 CZ PHE A 4 6.762 -11.036 4.347 1.00 8.90 C ATOM 0 H PHE A 4 5.029 -6.542 3.560 1.00 4.55 H new ATOM 0 HA PHE A 4 2.964 -8.357 2.527 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.484 -7.739 5.464 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.412 -8.965 4.818 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.656 -10.710 3.102 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.649 -8.397 6.113 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.664 -12.126 2.839 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.626 -9.785 5.885 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.646 -11.649 4.251 1.00 8.90 H new ATOM 76 N VAL A 5 1.047 -6.717 2.953 1.00 4.44 N ATOM 77 CA VAL A 5 0.052 -5.750 3.218 1.00 3.87 C ATOM 78 C VAL A 5 -1.018 -6.411 3.967 1.00 4.93 C ATOM 79 O VAL A 5 -1.612 -7.393 3.543 1.00 6.84 O ATOM 80 CB VAL A 5 -0.379 -4.991 1.954 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.547 -4.097 2.345 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.854 -4.092 1.553 1.00 9.13 C ATOM 0 H VAL A 5 0.775 -7.485 2.340 1.00 4.44 H new ATOM 0 HA VAL A 5 0.437 -4.945 3.844 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.671 -5.649 1.135 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.885 -3.538 1.473 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.365 -4.711 2.722 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.229 -3.401 3.121 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.612 -3.522 0.656 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.084 -3.405 2.368 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.719 -4.726 1.358 1.00 9.13 H new ATOM 92 N LYS A 6 -1.340 -5.927 5.160 1.00 6.04 N ATOM 93 CA LYS A 6 -2.160 -6.605 6.124 1.00 6.12 C ATOM 94 C LYS A 6 -3.454 -5.832 6.252 1.00 6.57 C ATOM 95 O LYS A 6 -3.479 -4.658 6.638 1.00 5.76 O ATOM 96 CB LYS A 6 -1.269 -6.561 7.379 1.00 7.45 C ATOM 97 CG LYS A 6 -1.834 -7.202 8.665 1.00 11.12 C ATOM 98 CD LYS A 6 -0.764 -7.327 9.727 1.00 14.54 C ATOM 99 CE LYS A 6 -1.171 -7.872 11.068 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.788 -9.250 10.955 1.00 20.55 N ATOM 0 H LYS A 6 -1.018 -5.015 5.484 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.458 -7.628 5.893 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.326 -7.053 7.142 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.039 -5.518 7.594 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.658 -6.598 9.044 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.240 -8.187 8.436 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.028 -7.964 9.332 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.330 -6.339 9.884 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.299 -7.917 11.721 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.884 -7.192 11.535 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.055 -9.590 11.901 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.635 -9.203 10.353 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.099 -9.905 10.533 1.00 20.55 H new ATOM 114 N THR A 7 -4.589 -6.430 5.858 1.00 7.41 N ATOM 115 CA THR A 7 -5.843 -5.766 5.838 1.00 7.48 C ATOM 116 C THR A 7 -6.425 -5.663 7.250 1.00 8.75 C ATOM 117 O THR A 7 -6.072 -6.465 8.086 1.00 8.58 O ATOM 118 CB THR A 7 -6.859 -6.397 4.811 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.604 -7.430 5.321 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.164 -6.906 3.579 1.00 9.17 C ATOM 0 H THR A 7 -4.632 -7.400 5.546 1.00 7.41 H new ATOM 0 HA THR A 7 -5.665 -4.753 5.477 1.00 7.48 H new ATOM 0 HB THR A 7 -7.531 -5.574 4.568 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.316 -7.663 4.689 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.899 -7.333 2.897 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.647 -6.082 3.086 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.441 -7.672 3.859 1.00 9.17 H new ATOM 128 N LEU A 8 -7.288 -4.639 7.462 1.00 9.84 N ATOM 129 CA LEU A 8 -7.980 -4.346 8.728 1.00 14.15 C ATOM 130 C LEU A 8 -8.954 -5.485 9.112 1.00 17.37 C ATOM 131 O LEU A 8 -9.036 -5.929 10.233 1.00 17.01 O ATOM 132 CB LEU A 8 -8.657 -2.925 8.674 1.00 16.63 C ATOM 133 CG LEU A 8 -9.010 -2.340 10.121 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.728 -2.042 10.858 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.941 -1.181 10.099 1.00 18.59 C ATOM 0 H LEU A 8 -7.525 -3.974 6.726 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.246 -4.305 9.533 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.991 -2.231 8.161 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.570 -2.987 8.081 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.567 -3.106 10.660 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.960 -1.643 11.845 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.148 -2.959 10.964 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.148 -1.309 10.297 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.128 -0.845 11.119 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.496 -0.368 9.525 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.882 -1.479 9.637 1.00 18.59 H new ATOM 147 N THR A 9 -9.547 -6.170 8.149 1.00 18.33 N ATOM 148 CA THR A 9 -10.551 -7.196 8.377 1.00 19.24 C ATOM 149 C THR A 9 -10.031 -8.587 8.358 1.00 19.48 C ATOM 150 O THR A 9 -10.730 -9.589 8.266 1.00 23.14 O ATOM 151 CB THR A 9 -11.641 -7.084 7.388 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.157 -7.040 6.059 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.367 -5.779 7.639 1.00 19.70 C ATOM 0 H THR A 9 -9.338 -6.024 7.161 1.00 18.33 H new ATOM 0 HA THR A 9 -10.915 -7.010 9.387 1.00 19.24 H new ATOM 0 HB THR A 9 -12.284 -7.957 7.499 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.912 -6.968 5.438 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.179 -5.671 6.920 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.774 -5.778 8.650 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.671 -4.948 7.528 1.00 19.70 H new ATOM 161 N GLY A 10 -8.704 -8.762 8.444 1.00 19.43 N ATOM 162 CA GLY A 10 -8.184 -10.085 8.819 1.00 18.74 C ATOM 163 C GLY A 10 -7.732 -10.922 7.677 1.00 17.62 C ATOM 164 O GLY A 10 -7.991 -12.110 7.574 1.00 19.74 O ATOM 0 H GLY A 10 -8.001 -8.044 8.269 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.349 -9.950 9.506 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.960 -10.624 9.362 1.00 18.74 H new ATOM 168 N LYS A 11 -6.904 -10.308 6.763 1.00 13.56 N ATOM 169 CA LYS A 11 -6.010 -11.054 5.911 1.00 11.91 C ATOM 170 C LYS A 11 -4.749 -10.351 5.645 1.00 10.18 C ATOM 171 O LYS A 11 -4.557 -9.198 5.996 1.00 9.10 O ATOM 172 CB LYS A 11 -6.665 -11.513 4.544 1.00 13.43 C ATOM 173 CG LYS A 11 -6.845 -10.446 3.483 1.00 16.69 C ATOM 174 CD LYS A 11 -7.586 -11.094 2.197 1.00 17.92 C ATOM 175 CE LYS A 11 -6.697 -12.090 1.428 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.355 -12.220 0.099 1.00 21.93 N ATOM 0 H LYS A 11 -6.865 -9.298 6.626 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.788 -11.952 6.488 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.052 -12.310 4.124 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.642 -11.944 4.763 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.434 -9.619 3.879 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.877 -10.038 3.193 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.492 -11.603 2.525 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.895 -10.296 1.522 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.676 -11.720 1.332 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.641 -13.051 1.940 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.384 -13.222 -0.177 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.325 -11.848 0.154 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.817 -11.681 -0.609 1.00 21.93 H new ATOM 190 N THR A 12 -3.772 -11.129 5.047 1.00 9.63 N ATOM 191 CA THR A 12 -2.459 -10.536 4.706 1.00 9.85 C ATOM 192 C THR A 12 -1.948 -10.985 3.358 1.00 11.66 C ATOM 193 O THR A 12 -1.769 -12.161 3.031 1.00 12.33 O ATOM 194 CB THR A 12 -1.302 -10.842 5.721 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.732 -10.523 7.000 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.045 -10.095 5.455 1.00 9.63 C ATOM 0 H THR A 12 -3.878 -12.115 4.809 1.00 9.63 H new ATOM 0 HA THR A 12 -2.685 -9.470 4.725 1.00 9.85 H new ATOM 0 HB THR A 12 -1.072 -11.902 5.611 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.016 -10.712 7.642 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.703 -10.364 6.201 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.326 -10.349 4.462 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.240 -9.024 5.507 1.00 9.63 H new ATOM 204 N ILE A 13 -1.681 -9.961 2.502 1.00 10.42 N ATOM 205 CA ILE A 13 -1.327 -10.245 1.131 1.00 11.84 C ATOM 206 C ILE A 13 0.142 -9.929 0.899 1.00 10.55 C ATOM 207 O ILE A 13 0.647 -8.821 1.189 1.00 11.92 O ATOM 208 CB ILE A 13 -2.295 -9.550 0.098 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.341 -8.035 0.307 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.655 -10.171 0.290 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.244 -7.329 -0.715 1.00 16.46 C ATOM 0 H ILE A 13 -1.709 -8.972 2.749 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.462 -11.312 0.952 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.942 -9.703 -0.922 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.700 -7.821 1.314 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.331 -7.631 0.236 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.362 -9.720 -0.406 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.595 -11.243 0.103 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.992 -9.999 1.312 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.242 -6.256 -0.523 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.871 -7.518 -1.722 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.261 -7.711 -0.627 1.00 16.46 H new ATOM 223 N THR A 14 0.914 -10.856 0.292 1.00 9.39 N ATOM 224 CA THR A 14 2.312 -10.722 0.036 1.00 9.63 C ATOM 225 C THR A 14 2.528 -10.093 -1.331 1.00 11.20 C ATOM 226 O THR A 14 2.127 -10.644 -2.367 1.00 11.63 O ATOM 227 CB THR A 14 3.082 -12.103 0.128 1.00 10.38 C ATOM 228 OG1 THR A 14 2.858 -12.784 1.361 1.00 16.30 O ATOM 229 CG2 THR A 14 4.610 -11.920 0.056 1.00 11.66 C ATOM 0 H THR A 14 0.537 -11.745 -0.036 1.00 9.39 H new ATOM 0 HA THR A 14 2.723 -10.075 0.811 1.00 9.63 H new ATOM 0 HB THR A 14 2.695 -12.673 -0.716 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.355 -13.629 1.363 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.097 -12.893 0.123 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.876 -11.446 -0.889 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.941 -11.291 0.883 1.00 11.66 H new ATOM 237 N LEU A 15 3.127 -8.949 -1.416 1.00 8.29 N ATOM 238 CA LEU A 15 3.393 -8.199 -2.685 1.00 9.03 C ATOM 239 C LEU A 15 4.873 -8.126 -3.082 1.00 8.59 C ATOM 240 O LEU A 15 5.743 -7.866 -2.279 1.00 7.79 O ATOM 241 CB LEU A 15 2.790 -6.818 -2.598 1.00 11.08 C ATOM 242 CG LEU A 15 1.322 -6.766 -2.181 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.886 -5.314 -2.134 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.371 -7.646 -3.093 1.00 15.27 C ATOM 0 H LEU A 15 3.474 -8.459 -0.592 1.00 8.29 H new ATOM 0 HA LEU A 15 2.915 -8.769 -3.482 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.372 -6.231 -1.888 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.891 -6.335 -3.570 1.00 11.08 H new ATOM 0 HG LEU A 15 1.233 -7.212 -1.190 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.161 -5.258 -1.838 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.497 -4.774 -1.411 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.008 -4.865 -3.120 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.656 -7.560 -2.737 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.429 -7.295 -4.123 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.685 -8.689 -3.046 1.00 15.27 H new ATOM 256 N GLU A 16 5.145 -8.272 -4.397 1.00 11.04 N ATOM 257 CA GLU A 16 6.422 -8.024 -5.071 1.00 11.50 C ATOM 258 C GLU A 16 6.528 -6.646 -5.727 1.00 10.13 C ATOM 259 O GLU A 16 5.682 -6.264 -6.530 1.00 9.83 O ATOM 260 CB GLU A 16 6.703 -9.167 -6.114 1.00 17.22 C ATOM 261 CG GLU A 16 8.111 -9.062 -6.773 1.00 23.33 C ATOM 262 CD GLU A 16 8.463 -10.251 -7.564 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.052 -10.341 -8.764 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.254 -11.092 -7.071 1.00 28.90 O ATOM 0 H GLU A 16 4.428 -8.586 -5.051 1.00 11.04 H new ATOM 0 HA GLU A 16 7.188 -8.030 -4.295 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.612 -10.133 -5.618 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.941 -9.135 -6.893 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.141 -8.182 -7.416 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.860 -8.914 -5.995 1.00 23.33 H new ATOM 271 N VAL A 17 7.504 -5.863 -5.310 1.00 8.99 N ATOM 272 CA VAL A 17 7.600 -4.457 -5.566 1.00 8.85 C ATOM 273 C VAL A 17 9.116 -4.177 -5.756 1.00 8.04 C ATOM 274 O VAL A 17 9.995 -5.057 -5.512 1.00 8.99 O ATOM 275 CB VAL A 17 7.098 -3.619 -4.436 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.543 -3.659 -4.382 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.711 -4.107 -3.111 1.00 10.54 C ATOM 0 H VAL A 17 8.285 -6.217 -4.757 1.00 8.99 H new ATOM 0 HA VAL A 17 6.990 -4.201 -6.432 1.00 8.85 H new ATOM 0 HB VAL A 17 7.401 -2.584 -4.595 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.192 -3.044 -3.554 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.136 -3.274 -5.317 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.210 -4.687 -4.237 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.341 -3.492 -2.291 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.430 -5.146 -2.941 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.797 -4.029 -3.162 1.00 10.54 H new ATOM 287 N GLU A 18 9.531 -2.940 -6.035 1.00 7.29 N ATOM 288 CA GLU A 18 10.906 -2.479 -6.123 1.00 7.08 C ATOM 289 C GLU A 18 10.977 -1.252 -5.317 1.00 6.45 C ATOM 290 O GLU A 18 9.914 -0.672 -5.067 1.00 5.28 O ATOM 291 CB GLU A 18 11.473 -2.171 -7.511 1.00 10.28 C ATOM 292 CG GLU A 18 11.865 -3.430 -8.332 1.00 12.65 C ATOM 293 CD GLU A 18 12.965 -4.260 -7.620 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.113 -3.839 -7.426 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.688 -5.459 -7.284 1.00 14.33 O ATOM 0 H GLU A 18 8.866 -2.188 -6.217 1.00 7.29 H new ATOM 0 HA GLU A 18 11.518 -3.312 -5.778 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.735 -1.599 -8.074 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.352 -1.536 -7.400 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.983 -4.052 -8.488 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.219 -3.126 -9.317 1.00 12.65 H new ATOM 302 N PRO A 19 12.112 -0.694 -4.837 1.00 7.24 N ATOM 303 CA PRO A 19 12.122 0.606 -4.139 1.00 7.07 C ATOM 304 C PRO A 19 11.703 1.850 -4.974 1.00 6.65 C ATOM 305 O PRO A 19 11.354 2.863 -4.432 1.00 6.37 O ATOM 306 CB PRO A 19 13.577 0.679 -3.630 1.00 7.61 C ATOM 307 CG PRO A 19 14.046 -0.727 -3.550 1.00 8.16 C ATOM 308 CD PRO A 19 13.379 -1.365 -4.742 1.00 7.49 C ATOM 0 HA PRO A 19 11.359 0.645 -3.361 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.200 1.262 -4.308 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.627 1.164 -2.655 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.132 -0.796 -3.608 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.746 -1.202 -2.616 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.970 -1.231 -5.648 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.252 -2.438 -4.600 1.00 7.49 H new ATOM 316 N SER A 20 11.783 1.713 -6.278 1.00 6.80 N ATOM 317 CA SER A 20 11.458 2.709 -7.230 1.00 6.28 C ATOM 318 C SER A 20 9.975 2.756 -7.567 1.00 8.45 C ATOM 319 O SER A 20 9.529 3.742 -8.150 1.00 7.26 O ATOM 320 CB SER A 20 12.310 2.594 -8.531 1.00 8.57 C ATOM 321 OG SER A 20 12.430 1.245 -8.973 1.00 11.13 O ATOM 0 H SER A 20 12.097 0.845 -6.711 1.00 6.80 H new ATOM 0 HA SER A 20 11.709 3.653 -6.746 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.853 3.194 -9.318 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.303 3.006 -8.352 1.00 8.57 H new ATOM 0 HG SER A 20 12.969 1.215 -9.791 1.00 11.13 H new ATOM 327 N ASP A 21 9.251 1.711 -7.279 1.00 7.50 N ATOM 328 CA ASP A 21 7.837 1.783 -7.499 1.00 7.70 C ATOM 329 C ASP A 21 7.187 2.871 -6.662 1.00 7.08 C ATOM 330 O ASP A 21 7.718 3.273 -5.612 1.00 8.11 O ATOM 331 CB ASP A 21 7.094 0.442 -7.140 1.00 11.00 C ATOM 332 CG ASP A 21 7.492 -0.707 -8.004 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.911 -0.374 -9.159 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.349 -1.899 -7.671 1.00 14.36 O ATOM 0 H ASP A 21 9.601 0.829 -6.905 1.00 7.50 H new ATOM 0 HA ASP A 21 7.738 1.995 -8.564 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.296 0.191 -6.099 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.019 0.597 -7.227 1.00 11.00 H new ATOM 339 N THR A 22 6.096 3.479 -7.118 1.00 5.37 N ATOM 340 CA THR A 22 5.270 4.410 -6.401 1.00 6.01 C ATOM 341 C THR A 22 4.264 3.673 -5.528 1.00 8.01 C ATOM 342 O THR A 22 4.043 2.458 -5.707 1.00 8.11 O ATOM 343 CB THR A 22 4.598 5.568 -7.176 1.00 8.92 C ATOM 344 OG1 THR A 22 3.518 5.126 -8.020 1.00 10.22 O ATOM 345 CG2 THR A 22 5.556 6.504 -7.903 1.00 9.65 C ATOM 0 H THR A 22 5.753 3.314 -8.064 1.00 5.37 H new ATOM 0 HA THR A 22 6.002 4.950 -5.801 1.00 6.01 H new ATOM 0 HB THR A 22 4.161 6.184 -6.391 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.129 5.897 -8.484 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.988 7.281 -8.415 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.232 6.964 -7.182 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.135 5.937 -8.633 1.00 9.65 H new ATOM 353 N ILE A 23 3.646 4.303 -4.557 1.00 8.32 N ATOM 354 CA ILE A 23 2.458 3.853 -3.816 1.00 9.92 C ATOM 355 C ILE A 23 1.258 3.613 -4.727 1.00 10.01 C ATOM 356 O ILE A 23 0.552 2.612 -4.655 1.00 8.71 O ATOM 357 CB ILE A 23 2.077 4.803 -2.728 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.287 5.229 -1.843 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.048 4.036 -1.858 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.975 4.106 -0.938 1.00 12.30 C ATOM 0 H ILE A 23 3.973 5.212 -4.229 1.00 8.32 H new ATOM 0 HA ILE A 23 2.741 2.902 -3.364 1.00 9.92 H new ATOM 0 HB ILE A 23 1.682 5.723 -3.158 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.051 5.647 -2.498 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.956 6.033 -1.186 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.721 4.672 -1.035 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.188 3.762 -2.469 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.511 3.134 -1.457 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.801 4.545 -0.378 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.241 3.699 -0.243 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.354 3.307 -1.575 1.00 12.30 H new ATOM 372 N GLU A 24 1.036 4.435 -5.773 1.00 9.54 N ATOM 373 CA GLU A 24 0.093 4.155 -6.834 1.00 11.81 C ATOM 374 C GLU A 24 0.245 2.781 -7.551 1.00 11.14 C ATOM 375 O GLU A 24 -0.707 2.063 -7.825 1.00 10.62 O ATOM 376 CB GLU A 24 -0.004 5.357 -7.786 1.00 19.24 C ATOM 377 CG GLU A 24 -1.159 5.188 -8.812 1.00 27.76 C ATOM 378 CD GLU A 24 -1.165 6.262 -9.943 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.201 6.466 -10.745 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.272 6.861 -10.088 1.00 36.51 O ATOM 0 H GLU A 24 1.524 5.323 -5.890 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.873 4.023 -6.346 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.162 6.267 -7.207 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.940 5.477 -8.318 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.087 4.199 -9.265 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.111 5.228 -8.282 1.00 27.76 H new ATOM 387 N ASN A 25 1.566 2.383 -7.884 1.00 9.43 N ATOM 388 CA ASN A 25 1.858 1.037 -8.387 1.00 10.96 C ATOM 389 C ASN A 25 1.325 -0.062 -7.433 1.00 9.68 C ATOM 390 O ASN A 25 0.700 -1.038 -7.889 1.00 9.33 O ATOM 391 CB ASN A 25 3.352 0.851 -8.628 1.00 16.78 C ATOM 392 CG ASN A 25 3.793 1.709 -9.877 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.766 2.486 -9.765 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.122 1.555 -11.083 1.00 24.70 N ATOM 0 H ASN A 25 2.383 2.988 -7.799 1.00 9.43 H new ATOM 0 HA ASN A 25 1.338 0.934 -9.340 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.915 1.157 -7.746 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.576 -0.202 -8.799 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.420 2.082 -11.904 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.331 0.914 -11.148 1.00 24.70 H new ATOM 401 N VAL A 26 1.556 0.089 -6.153 1.00 6.52 N ATOM 402 CA VAL A 26 1.120 -0.869 -5.156 1.00 5.53 C ATOM 403 C VAL A 26 -0.378 -0.925 -4.943 1.00 4.42 C ATOM 404 O VAL A 26 -0.983 -1.974 -4.860 1.00 3.40 O ATOM 405 CB VAL A 26 1.743 -0.587 -3.715 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.359 -1.640 -2.712 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.248 -0.555 -3.855 1.00 8.12 C ATOM 0 H VAL A 26 2.057 0.888 -5.765 1.00 6.52 H new ATOM 0 HA VAL A 26 1.471 -1.812 -5.576 1.00 5.53 H new ATOM 0 HB VAL A 26 1.355 0.364 -3.349 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.807 -1.404 -1.747 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.274 -1.668 -2.611 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.717 -2.612 -3.050 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.700 -0.363 -2.882 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.599 -1.514 -4.235 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.532 0.236 -4.549 1.00 8.12 H new ATOM 417 N LYS A 27 -1.089 0.228 -4.962 1.00 2.64 N ATOM 418 CA LYS A 27 -2.554 0.281 -4.907 1.00 4.14 C ATOM 419 C LYS A 27 -3.297 -0.355 -6.095 1.00 5.58 C ATOM 420 O LYS A 27 -4.265 -1.076 -5.986 1.00 4.11 O ATOM 421 CB LYS A 27 -3.081 1.728 -4.767 1.00 3.97 C ATOM 422 CG LYS A 27 -2.657 2.447 -3.462 1.00 7.45 C ATOM 423 CD LYS A 27 -3.293 3.816 -3.319 1.00 9.02 C ATOM 424 CE LYS A 27 -3.102 4.533 -1.950 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.925 5.805 -1.935 1.00 15.47 N ATOM 0 H LYS A 27 -0.651 1.148 -5.016 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.769 -0.318 -4.022 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.730 2.312 -5.618 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.170 1.711 -4.819 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.932 1.831 -2.606 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.572 2.551 -3.444 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.892 4.461 -4.101 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.362 3.716 -3.505 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.410 3.877 -1.136 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.049 4.765 -1.791 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.471 6.505 -1.314 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.990 6.188 -2.900 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.880 5.596 -1.581 1.00 15.47 H new ATOM 439 N ALA A 28 -2.764 -0.079 -7.331 1.00 6.61 N ATOM 440 CA ALA A 28 -3.165 -0.763 -8.519 1.00 7.74 C ATOM 441 C ALA A 28 -2.828 -2.235 -8.533 1.00 9.17 C ATOM 442 O ALA A 28 -3.596 -3.017 -9.077 1.00 11.45 O ATOM 443 CB ALA A 28 -2.441 -0.238 -9.725 1.00 7.68 C ATOM 0 H ALA A 28 -2.048 0.630 -7.486 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.243 -0.603 -8.540 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.770 -0.780 -10.611 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.659 0.823 -9.847 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.368 -0.375 -9.593 1.00 7.68 H new ATOM 449 N LYS A 29 -1.641 -2.709 -7.969 1.00 8.96 N ATOM 450 CA LYS A 29 -1.423 -4.143 -7.817 1.00 7.90 C ATOM 451 C LYS A 29 -2.408 -4.809 -6.813 1.00 6.92 C ATOM 452 O LYS A 29 -2.873 -5.910 -7.093 1.00 6.87 O ATOM 453 CB LYS A 29 0.026 -4.281 -7.293 1.00 10.28 C ATOM 454 CG LYS A 29 0.668 -5.652 -7.068 1.00 14.94 C ATOM 455 CD LYS A 29 1.878 -5.482 -6.191 1.00 19.69 C ATOM 456 CE LYS A 29 2.972 -4.640 -6.816 1.00 22.63 C ATOM 457 NZ LYS A 29 3.484 -5.112 -8.124 1.00 24.98 N ATOM 0 H LYS A 29 -0.878 -2.118 -7.639 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.590 -4.647 -8.769 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.667 -3.741 -7.990 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.071 -3.750 -6.342 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.045 -6.331 -6.600 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.952 -6.097 -8.022 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.572 -5.024 -5.250 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.282 -6.465 -5.950 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.596 -3.624 -6.940 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.807 -4.588 -6.118 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.508 -5.279 -8.056 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.006 -5.998 -8.385 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.298 -4.391 -8.850 1.00 24.98 H new ATOM 471 N ILE A 30 -2.741 -4.136 -5.675 1.00 4.57 N ATOM 472 CA ILE A 30 -3.802 -4.563 -4.730 1.00 5.58 C ATOM 473 C ILE A 30 -5.192 -4.548 -5.320 1.00 7.26 C ATOM 474 O ILE A 30 -6.013 -5.443 -5.068 1.00 9.46 O ATOM 475 CB ILE A 30 -3.694 -3.770 -3.414 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.349 -4.016 -2.609 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.932 -3.990 -2.426 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.145 -2.936 -1.504 1.00 2.00 C ATOM 0 H ILE A 30 -2.274 -3.275 -5.390 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.627 -5.615 -4.506 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.698 -2.737 -3.761 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.371 -5.006 -2.153 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.503 -4.000 -3.296 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.785 -3.400 -1.521 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.852 -3.675 -2.919 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.005 -5.045 -2.163 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.215 -3.132 -0.971 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.098 -1.949 -1.964 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.979 -2.970 -0.803 1.00 2.00 H new ATOM 490 N GLN A 31 -5.402 -3.519 -6.084 1.00 7.06 N ATOM 491 CA GLN A 31 -6.578 -3.520 -6.953 1.00 8.67 C ATOM 492 C GLN A 31 -6.683 -4.716 -7.886 1.00 10.90 C ATOM 493 O GLN A 31 -7.732 -5.291 -8.077 1.00 9.63 O ATOM 494 CB GLN A 31 -6.582 -2.250 -7.812 1.00 9.12 C ATOM 495 CG GLN A 31 -7.783 -2.093 -8.821 1.00 10.76 C ATOM 496 CD GLN A 31 -7.415 -0.988 -9.897 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.306 -0.950 -10.453 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.383 -0.114 -10.153 1.00 14.76 N ATOM 0 H GLN A 31 -4.810 -2.690 -6.137 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.432 -3.569 -6.277 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.579 -1.387 -7.146 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.652 -2.218 -8.380 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.987 -3.044 -9.313 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.689 -1.810 -8.286 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.278 -0.188 -9.669 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.231 0.631 -10.833 1.00 14.76 H new ATOM 507 N ASP A 32 -5.592 -5.129 -8.520 1.00 10.93 N ATOM 508 CA ASP A 32 -5.608 -6.273 -9.366 1.00 14.01 C ATOM 509 C ASP A 32 -5.750 -7.549 -8.541 1.00 14.04 C ATOM 510 O ASP A 32 -6.446 -8.494 -8.933 1.00 13.39 O ATOM 511 CB ASP A 32 -4.296 -6.525 -10.209 1.00 18.01 C ATOM 512 CG ASP A 32 -3.987 -5.473 -11.242 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.953 -4.774 -11.698 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.836 -5.413 -11.731 1.00 26.29 O ATOM 0 H ASP A 32 -4.684 -4.669 -8.450 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.441 -6.060 -10.035 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.451 -6.598 -9.524 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.385 -7.489 -10.710 1.00 18.01 H new ATOM 519 N LYS A 33 -5.139 -7.652 -7.300 1.00 14.22 N ATOM 520 CA LYS A 33 -5.206 -8.821 -6.462 1.00 14.00 C ATOM 521 C LYS A 33 -6.581 -8.994 -5.715 1.00 12.37 C ATOM 522 O LYS A 33 -7.117 -10.102 -5.644 1.00 12.17 O ATOM 523 CB LYS A 33 -4.043 -8.760 -5.419 1.00 18.62 C ATOM 524 CG LYS A 33 -3.225 -10.005 -5.413 1.00 24.00 C ATOM 525 CD LYS A 33 -2.161 -9.908 -4.308 1.00 27.61 C ATOM 526 CE LYS A 33 -1.190 -11.080 -4.215 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.901 -12.301 -3.971 1.00 30.06 N ATOM 0 H LYS A 33 -4.592 -6.894 -6.891 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.109 -9.687 -7.116 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.402 -7.907 -5.642 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.458 -8.595 -4.425 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.863 -10.872 -5.244 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.747 -10.145 -6.383 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.585 -8.996 -4.464 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.669 -9.805 -3.349 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.620 -11.162 -5.141 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.473 -10.903 -3.414 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.222 -13.078 -3.843 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.479 -12.201 -3.112 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.519 -12.511 -4.781 1.00 30.06 H new ATOM 541 N GLU A 34 -7.156 -7.881 -5.149 1.00 10.11 N ATOM 542 CA GLU A 34 -8.373 -7.845 -4.225 1.00 10.07 C ATOM 543 C GLU A 34 -9.556 -7.047 -4.804 1.00 9.32 C ATOM 544 O GLU A 34 -10.736 -7.042 -4.369 1.00 11.61 O ATOM 545 CB GLU A 34 -7.877 -7.269 -2.837 1.00 14.77 C ATOM 546 CG GLU A 34 -6.892 -8.100 -2.042 1.00 18.75 C ATOM 547 CD GLU A 34 -7.317 -9.523 -1.743 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.468 -9.794 -1.412 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.391 -10.412 -1.813 1.00 25.19 O ATOM 0 H GLU A 34 -6.782 -6.948 -5.321 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.773 -8.852 -4.104 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.423 -6.295 -3.021 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.754 -7.099 -2.212 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.949 -8.130 -2.587 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.698 -7.593 -1.097 1.00 18.75 H new ATOM 556 N GLY A 35 -9.429 -6.268 -5.883 1.00 7.22 N ATOM 557 CA GLY A 35 -10.550 -5.558 -6.494 1.00 6.29 C ATOM 558 C GLY A 35 -10.859 -4.221 -5.868 1.00 6.93 C ATOM 559 O GLY A 35 -11.921 -3.674 -6.198 1.00 7.41 O ATOM 0 H GLY A 35 -8.539 -6.113 -6.357 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.336 -5.409 -7.552 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.438 -6.187 -6.434 1.00 6.29 H new ATOM 563 N ILE A 36 -9.989 -3.682 -4.978 1.00 5.86 N ATOM 564 CA ILE A 36 -10.230 -2.417 -4.285 1.00 6.07 C ATOM 565 C ILE A 36 -9.619 -1.240 -5.127 1.00 6.36 C ATOM 566 O ILE A 36 -8.398 -1.229 -5.280 1.00 6.18 O ATOM 567 CB ILE A 36 -9.624 -2.328 -2.872 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.913 -3.630 -2.039 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.274 -1.169 -2.106 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.939 -3.824 -0.874 1.00 9.49 C ATOM 0 H ILE A 36 -9.103 -4.122 -4.729 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.313 -2.351 -4.179 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.550 -2.188 -2.992 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.931 -3.588 -1.651 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.859 -4.496 -2.699 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.844 -1.107 -1.106 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.093 -0.235 -2.637 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.348 -1.340 -2.029 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.191 -4.739 -0.338 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.922 -3.897 -1.259 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.010 -2.974 -0.195 1.00 9.49 H new ATOM 582 N PRO A 37 -10.324 -0.173 -5.544 1.00 8.65 N ATOM 583 CA PRO A 37 -9.748 0.994 -6.235 1.00 9.18 C ATOM 584 C PRO A 37 -8.685 1.712 -5.409 1.00 9.85 C ATOM 585 O PRO A 37 -8.869 1.788 -4.199 1.00 8.51 O ATOM 586 CB PRO A 37 -11.013 1.881 -6.491 1.00 11.42 C ATOM 587 CG PRO A 37 -12.135 0.812 -6.615 1.00 9.27 C ATOM 588 CD PRO A 37 -11.757 -0.233 -5.613 1.00 8.33 C ATOM 0 HA PRO A 37 -9.209 0.731 -7.145 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.198 2.574 -5.671 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.916 2.478 -7.398 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.115 1.236 -6.398 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.182 0.399 -7.623 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.209 -0.032 -4.642 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.097 -1.221 -5.924 1.00 8.33 H new ATOM 596 N PRO A 38 -7.680 2.271 -5.947 1.00 8.71 N ATOM 597 CA PRO A 38 -6.621 3.042 -5.248 1.00 9.08 C ATOM 598 C PRO A 38 -7.170 4.194 -4.449 1.00 9.28 C ATOM 599 O PRO A 38 -6.576 4.510 -3.440 1.00 6.50 O ATOM 600 CB PRO A 38 -5.675 3.463 -6.372 1.00 10.31 C ATOM 601 CG PRO A 38 -5.706 2.252 -7.325 1.00 10.81 C ATOM 602 CD PRO A 38 -7.156 1.818 -7.225 1.00 12.00 C ATOM 0 HA PRO A 38 -6.105 2.456 -4.488 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.015 4.373 -6.866 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.669 3.658 -6.001 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.430 2.526 -8.343 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.021 1.465 -7.009 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.736 2.241 -8.045 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.234 0.734 -7.305 1.00 12.00 H new ATOM 610 N ASP A 39 -8.226 4.874 -4.891 1.00 11.20 N ATOM 611 CA ASP A 39 -8.846 5.976 -4.113 1.00 14.96 C ATOM 612 C ASP A 39 -9.547 5.554 -2.837 1.00 13.99 C ATOM 613 O ASP A 39 -9.866 6.339 -1.902 1.00 13.75 O ATOM 614 CB ASP A 39 -9.949 6.667 -4.972 1.00 24.16 C ATOM 615 CG ASP A 39 -9.341 7.502 -5.992 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.667 6.927 -6.907 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.420 8.754 -5.865 1.00 34.22 O ATOM 0 H ASP A 39 -8.681 4.690 -5.785 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.006 6.621 -3.853 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.582 5.913 -5.439 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.592 7.272 -4.333 1.00 24.16 H new ATOM 622 N GLN A 40 -9.785 4.239 -2.678 1.00 11.60 N ATOM 623 CA GLN A 40 -10.431 3.685 -1.490 1.00 10.76 C ATOM 624 C GLN A 40 -9.438 2.906 -0.701 1.00 8.01 C ATOM 625 O GLN A 40 -9.784 2.194 0.262 1.00 8.96 O ATOM 626 CB GLN A 40 -11.509 2.663 -1.811 1.00 11.14 C ATOM 627 CG GLN A 40 -12.860 3.252 -2.371 1.00 14.85 C ATOM 628 CD GLN A 40 -13.848 2.096 -2.537 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.898 1.405 -3.551 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.588 1.825 -1.458 1.00 18.16 N ATOM 0 H GLN A 40 -9.532 3.537 -3.373 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.852 4.545 -0.970 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.111 1.958 -2.541 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.728 2.096 -0.906 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.261 4.001 -1.688 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.692 3.749 -3.326 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.522 2.420 -0.632 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.219 1.023 -1.460 1.00 18.16 H new ATOM 639 N GLN A 41 -8.122 3.155 -0.925 1.00 6.52 N ATOM 640 CA GLN A 41 -7.059 2.546 -0.039 1.00 3.87 C ATOM 641 C GLN A 41 -6.230 3.589 0.670 1.00 4.79 C ATOM 642 O GLN A 41 -5.550 4.373 0.028 1.00 6.34 O ATOM 643 CB GLN A 41 -6.106 1.861 -0.969 1.00 4.20 C ATOM 644 CG GLN A 41 -6.724 0.705 -1.791 1.00 3.20 C ATOM 645 CD GLN A 41 -5.660 -0.006 -2.663 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.527 -0.164 -2.255 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.092 -0.357 -3.908 1.00 7.13 N ATOM 0 H GLN A 41 -7.767 3.747 -1.676 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.543 1.908 0.700 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.697 2.600 -1.658 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.271 1.470 -0.388 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.184 -0.017 -1.116 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.517 1.095 -2.429 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.062 -0.191 -4.177 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.445 -0.785 -4.570 1.00 7.13 H new ATOM 656 N ARG A 42 -6.329 3.517 1.991 1.00 5.73 N ATOM 657 CA ARG A 42 -5.352 4.062 2.860 1.00 6.97 C ATOM 658 C ARG A 42 -4.246 3.000 3.000 1.00 7.15 C ATOM 659 O ARG A 42 -4.493 1.890 3.482 1.00 7.33 O ATOM 660 CB ARG A 42 -5.844 4.483 4.199 1.00 13.23 C ATOM 661 CG ARG A 42 -6.973 5.553 4.208 1.00 21.27 C ATOM 662 CD ARG A 42 -7.842 5.437 5.396 1.00 26.14 C ATOM 663 NE ARG A 42 -6.870 5.514 6.556 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.161 5.216 7.855 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.424 4.979 8.283 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.193 5.379 8.770 1.00 36.39 N ATOM 0 H ARG A 42 -7.108 3.068 2.473 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.997 4.992 2.416 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.205 3.599 4.725 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.999 4.871 4.769 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.529 6.548 4.181 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.577 5.449 3.307 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.577 6.241 5.435 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -8.395 4.498 5.398 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.918 5.814 6.348 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.202 5.020 7.624 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.597 4.759 9.264 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.274 5.716 8.485 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.377 5.166 9.750 1.00 36.39 H new ATOM 680 N LEU A 43 -3.041 3.339 2.599 1.00 4.65 N ATOM 681 CA LEU A 43 -1.893 2.550 2.787 1.00 3.51 C ATOM 682 C LEU A 43 -1.108 3.231 3.757 1.00 5.56 C ATOM 683 O LEU A 43 -0.689 4.372 3.576 1.00 4.19 O ATOM 684 CB LEU A 43 -1.154 2.181 1.444 1.00 3.74 C ATOM 685 CG LEU A 43 -1.879 1.183 0.598 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.054 0.819 -0.691 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.156 -0.108 1.339 1.00 6.41 C ATOM 0 H LEU A 43 -2.850 4.216 2.114 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.144 1.557 3.160 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.004 3.091 0.864 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.166 1.788 1.683 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.822 1.659 0.329 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.608 0.092 -1.284 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.888 1.719 -1.283 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.093 0.394 -0.400 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.684 -0.799 0.682 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.214 -0.556 1.655 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.770 0.100 2.215 1.00 6.41 H new ATOM 699 N ILE A 44 -0.854 2.550 4.863 1.00 4.58 N ATOM 700 CA ILE A 44 -0.223 3.070 6.090 1.00 5.55 C ATOM 701 C ILE A 44 1.089 2.271 6.339 1.00 5.46 C ATOM 702 O ILE A 44 1.112 1.059 6.139 1.00 6.04 O ATOM 703 CB ILE A 44 -1.106 2.914 7.329 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.609 3.085 6.963 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.525 3.965 8.299 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.510 2.859 8.103 1.00 13.90 C ATOM 0 H ILE A 44 -1.092 1.562 4.945 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.045 4.135 5.938 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.093 1.926 7.790 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.770 4.091 6.574 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.863 2.390 6.163 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.085 3.946 9.234 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.522 3.737 8.498 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.602 4.956 7.851 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.543 2.993 7.782 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.375 1.844 8.478 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.280 3.572 8.895 1.00 13.90 H new ATOM 718 N PHE A 45 2.185 2.949 6.553 1.00 6.75 N ATOM 719 CA PHE A 45 3.393 2.292 7.024 1.00 4.70 C ATOM 720 C PHE A 45 3.806 3.124 8.241 1.00 6.34 C ATOM 721 O PHE A 45 4.052 4.350 8.105 1.00 5.45 O ATOM 722 CB PHE A 45 4.555 2.462 5.959 1.00 5.51 C ATOM 723 CG PHE A 45 5.858 1.742 6.359 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.817 0.416 6.780 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.102 2.382 6.342 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.071 -0.334 6.967 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.265 1.588 6.541 1.00 6.64 C ATOM 728 CZ PHE A 45 8.286 0.271 6.908 1.00 6.84 C ATOM 0 H PHE A 45 2.275 3.955 6.411 1.00 6.75 H new ATOM 0 HA PHE A 45 3.228 1.232 7.217 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.216 2.077 4.997 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.762 3.524 5.823 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.867 -0.062 6.969 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.177 3.448 6.182 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.023 -1.396 7.157 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.219 2.070 6.388 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.204 -0.251 7.135 1.00 6.84 H new ATOM 738 N ALA A 46 3.860 2.438 9.344 1.00 6.53 N ATOM 739 CA ALA A 46 4.192 2.944 10.685 1.00 7.15 C ATOM 740 C ALA A 46 3.508 4.303 11.061 1.00 9.00 C ATOM 741 O ALA A 46 4.088 5.337 11.425 1.00 11.15 O ATOM 742 CB ALA A 46 5.713 2.997 10.839 1.00 8.99 C ATOM 0 H ALA A 46 3.663 1.437 9.354 1.00 6.53 H new ATOM 0 HA ALA A 46 3.773 2.241 11.405 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.965 3.371 11.831 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.127 1.996 10.713 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.132 3.661 10.083 1.00 8.99 H new ATOM 748 N GLY A 47 2.184 4.355 10.986 1.00 9.35 N ATOM 749 CA GLY A 47 1.364 5.577 11.211 1.00 11.68 C ATOM 750 C GLY A 47 1.367 6.651 10.136 1.00 11.14 C ATOM 751 O GLY A 47 0.693 7.657 10.267 1.00 13.93 O ATOM 0 H GLY A 47 1.619 3.536 10.762 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.332 5.262 11.364 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.699 6.036 12.141 1.00 11.68 H new ATOM 755 N LYS A 48 2.102 6.457 9.028 1.00 10.47 N ATOM 756 CA LYS A 48 2.286 7.495 8.014 1.00 8.82 C ATOM 757 C LYS A 48 1.485 7.082 6.827 1.00 7.68 C ATOM 758 O LYS A 48 1.728 6.129 6.108 1.00 6.47 O ATOM 759 CB LYS A 48 3.750 7.688 7.538 1.00 9.74 C ATOM 760 CG LYS A 48 4.510 8.483 8.516 1.00 14.14 C ATOM 761 CD LYS A 48 4.091 10.009 8.355 1.00 16.32 C ATOM 762 CE LYS A 48 4.794 10.943 9.287 1.00 20.04 C ATOM 763 NZ LYS A 48 4.565 12.376 8.911 1.00 23.92 N ATOM 0 H LYS A 48 2.580 5.581 8.816 1.00 10.47 H new ATOM 0 HA LYS A 48 1.979 8.440 8.463 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.225 6.717 7.402 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.761 8.186 6.569 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.303 8.137 9.529 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.581 8.364 8.351 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.288 10.321 7.330 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.016 10.097 8.514 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.444 10.773 10.305 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.863 10.730 9.278 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.067 12.995 9.579 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.922 12.544 7.949 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.547 12.585 8.944 1.00 23.92 H new ATOM 777 N GLN A 49 0.466 7.901 6.494 1.00 8.89 N ATOM 778 CA GLN A 49 -0.394 7.513 5.424 1.00 7.18 C ATOM 779 C GLN A 49 0.156 7.931 4.129 1.00 8.23 C ATOM 780 O GLN A 49 0.287 9.119 3.801 1.00 9.70 O ATOM 781 CB GLN A 49 -1.783 8.002 5.709 1.00 11.67 C ATOM 782 CG GLN A 49 -2.334 7.461 7.077 1.00 15.82 C ATOM 783 CD GLN A 49 -3.758 7.892 7.228 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.615 6.999 7.009 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.023 9.148 7.670 1.00 20.67 N ATOM 0 H GLN A 49 0.247 8.790 6.943 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.457 6.427 5.353 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.787 9.092 5.723 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.448 7.692 4.903 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.264 6.374 7.109 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.734 7.843 7.903 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.260 9.808 7.820 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.986 9.432 7.852 1.00 20.67 H new ATOM 794 N LEU A 50 0.551 6.927 3.312 1.00 6.51 N ATOM 795 CA LEU A 50 1.300 7.022 2.103 1.00 7.41 C ATOM 796 C LEU A 50 0.546 7.677 0.975 1.00 8.27 C ATOM 797 O LEU A 50 -0.693 7.522 0.857 1.00 8.34 O ATOM 798 CB LEU A 50 1.824 5.594 1.708 1.00 7.13 C ATOM 799 CG LEU A 50 2.510 4.794 2.887 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.561 3.266 2.503 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.931 5.265 3.268 1.00 9.11 C ATOM 0 H LEU A 50 0.318 5.958 3.529 1.00 6.51 H new ATOM 0 HA LEU A 50 2.147 7.683 2.289 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.988 5.007 1.327 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.539 5.697 0.892 1.00 7.13 H new ATOM 0 HG LEU A 50 1.895 4.982 3.767 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.032 2.704 3.309 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.548 2.896 2.347 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.138 3.140 1.587 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.311 4.652 4.085 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.590 5.168 2.405 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.896 6.308 3.583 1.00 9.11 H new ATOM 813 N GLU A 51 1.216 8.501 0.113 1.00 9.43 N ATOM 814 CA GLU A 51 0.553 9.275 -0.947 1.00 11.90 C ATOM 815 C GLU A 51 1.066 8.785 -2.295 1.00 11.49 C ATOM 816 O GLU A 51 2.168 8.320 -2.535 1.00 9.88 O ATOM 817 CB GLU A 51 0.734 10.838 -0.812 1.00 16.56 C ATOM 818 CG GLU A 51 0.291 11.344 0.565 1.00 26.06 C ATOM 819 CD GLU A 51 0.679 12.815 0.706 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.867 13.171 0.633 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.262 13.635 0.867 1.00 33.44 O ATOM 0 H GLU A 51 2.226 8.636 0.146 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.520 9.107 -0.854 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.780 11.099 -0.976 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.155 11.340 -1.587 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.787 11.227 0.680 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.761 10.754 1.352 1.00 26.06 H new ATOM 828 N ASP A 52 0.073 8.796 -3.173 1.00 12.71 N ATOM 829 CA ASP A 52 0.049 7.960 -4.350 1.00 16.56 C ATOM 830 C ASP A 52 1.200 8.184 -5.335 1.00 15.83 C ATOM 831 O ASP A 52 1.770 7.215 -5.854 1.00 17.21 O ATOM 832 CB ASP A 52 -1.270 8.297 -5.081 1.00 21.05 C ATOM 833 CG ASP A 52 -2.514 8.089 -4.186 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.752 9.055 -3.369 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.166 7.050 -4.178 1.00 25.82 O ATOM 0 H ASP A 52 -0.746 9.396 -3.080 1.00 12.71 H new ATOM 0 HA ASP A 52 0.143 6.925 -4.020 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.239 9.333 -5.420 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.358 7.673 -5.970 1.00 21.05 H new ATOM 840 N GLY A 53 1.664 9.431 -5.529 1.00 15.00 N ATOM 841 CA GLY A 53 2.777 9.781 -6.467 1.00 11.77 C ATOM 842 C GLY A 53 4.157 9.515 -5.976 1.00 11.10 C ATOM 843 O GLY A 53 5.086 9.708 -6.736 1.00 11.25 O ATOM 0 H GLY A 53 1.282 10.241 -5.041 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.630 9.227 -7.395 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.699 10.840 -6.712 1.00 11.77 H new ATOM 847 N ARG A 54 4.319 9.086 -4.674 1.00 8.53 N ATOM 848 CA ARG A 54 5.562 8.945 -3.908 1.00 9.05 C ATOM 849 C ARG A 54 6.183 7.532 -4.060 1.00 8.96 C ATOM 850 O ARG A 54 5.478 6.587 -4.345 1.00 11.60 O ATOM 851 CB ARG A 54 5.392 9.209 -2.390 1.00 7.97 C ATOM 852 CG ARG A 54 5.220 10.656 -1.990 1.00 9.62 C ATOM 853 CD ARG A 54 6.523 11.453 -2.251 1.00 12.20 C ATOM 854 NE ARG A 54 6.316 12.925 -1.845 1.00 18.23 N ATOM 855 CZ ARG A 54 7.349 13.760 -1.684 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.649 13.398 -1.461 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.199 15.086 -1.827 1.00 23.38 N ATOM 0 H ARG A 54 3.510 8.816 -4.115 1.00 8.53 H new ATOM 0 HA ARG A 54 6.218 9.705 -4.331 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.526 8.649 -2.038 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.263 8.809 -1.871 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.398 11.099 -2.552 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.955 10.718 -0.935 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.346 11.020 -1.683 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.795 11.390 -3.305 1.00 12.20 H new ATOM 0 HE ARG A 54 5.368 13.271 -1.695 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.901 12.411 -1.405 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.366 14.115 -1.351 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.285 15.473 -2.062 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.999 15.706 -1.700 1.00 23.38 H new ATOM 871 N THR A 55 7.544 7.338 -3.949 1.00 9.05 N ATOM 872 CA THR A 55 8.201 6.076 -4.213 1.00 9.03 C ATOM 873 C THR A 55 8.306 5.350 -2.921 1.00 8.15 C ATOM 874 O THR A 55 8.315 5.934 -1.849 1.00 5.91 O ATOM 875 CB THR A 55 9.568 6.109 -4.870 1.00 11.15 C ATOM 876 OG1 THR A 55 10.633 6.761 -4.176 1.00 11.95 O ATOM 877 CG2 THR A 55 9.594 6.798 -6.272 1.00 11.71 C ATOM 0 H THR A 55 8.187 8.079 -3.670 1.00 9.05 H new ATOM 0 HA THR A 55 7.576 5.587 -4.960 1.00 9.03 H new ATOM 0 HB THR A 55 9.739 5.033 -4.896 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.291 6.095 -3.887 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.609 6.777 -6.669 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.928 6.266 -6.951 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.263 7.832 -6.175 1.00 11.71 H new ATOM 885 N LEU A 56 8.402 3.986 -2.950 1.00 6.91 N ATOM 886 CA LEU A 56 8.611 3.124 -1.792 1.00 8.29 C ATOM 887 C LEU A 56 9.952 3.493 -0.989 1.00 8.05 C ATOM 888 O LEU A 56 9.879 3.735 0.244 1.00 10.17 O ATOM 889 CB LEU A 56 8.580 1.599 -2.246 1.00 6.60 C ATOM 890 CG LEU A 56 7.178 0.959 -2.211 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.136 1.643 -3.105 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.405 -0.520 -2.464 1.00 8.64 C ATOM 0 H LEU A 56 8.331 3.459 -3.821 1.00 6.91 H new ATOM 0 HA LEU A 56 7.795 3.291 -1.089 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.976 1.525 -3.259 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.245 1.026 -1.601 1.00 6.60 H new ATOM 0 HG LEU A 56 6.701 1.102 -1.241 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.182 1.124 -3.015 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.015 2.681 -2.794 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.470 1.611 -4.142 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.448 -1.042 -2.453 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.881 -0.654 -3.435 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.049 -0.928 -1.685 1.00 8.64 H new ATOM 904 N SER A 57 11.061 3.758 -1.664 1.00 8.92 N ATOM 905 CA SER A 57 12.324 4.181 -1.094 1.00 9.00 C ATOM 906 C SER A 57 12.261 5.414 -0.176 1.00 9.44 C ATOM 907 O SER A 57 12.942 5.471 0.878 1.00 10.91 O ATOM 908 CB SER A 57 13.338 4.401 -2.176 1.00 10.32 C ATOM 909 OG SER A 57 12.865 5.360 -3.139 1.00 13.59 O ATOM 0 H SER A 57 11.102 3.678 -2.680 1.00 8.92 H new ATOM 0 HA SER A 57 12.620 3.358 -0.444 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.273 4.751 -1.738 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.554 3.456 -2.674 1.00 10.32 H new ATOM 0 HG SER A 57 13.544 5.488 -3.834 1.00 13.59 H new ATOM 915 N ASP A 58 11.459 6.370 -0.557 1.00 9.11 N ATOM 916 CA ASP A 58 11.383 7.688 0.016 1.00 7.91 C ATOM 917 C ASP A 58 10.781 7.549 1.417 1.00 9.12 C ATOM 918 O ASP A 58 10.920 8.426 2.260 1.00 8.61 O ATOM 919 CB ASP A 58 10.447 8.547 -0.910 1.00 8.41 C ATOM 920 CG ASP A 58 10.658 10.048 -0.699 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.823 10.468 -0.412 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.678 10.824 -0.789 1.00 10.05 O ATOM 0 H ASP A 58 10.799 6.242 -1.324 1.00 9.11 H new ATOM 0 HA ASP A 58 12.359 8.168 0.091 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.639 8.296 -1.953 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.406 8.295 -0.708 1.00 8.41 H new ATOM 927 N TYR A 59 10.031 6.462 1.667 1.00 7.97 N ATOM 928 CA TYR A 59 9.291 6.292 2.919 1.00 8.45 C ATOM 929 C TYR A 59 9.943 5.141 3.687 1.00 10.98 C ATOM 930 O TYR A 59 9.494 4.811 4.782 1.00 12.95 O ATOM 931 CB TYR A 59 7.861 5.850 2.555 1.00 7.94 C ATOM 932 CG TYR A 59 7.024 7.023 1.968 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.733 8.114 2.818 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.315 6.856 0.771 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.670 8.957 2.470 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.234 7.717 0.526 1.00 6.52 C ATOM 937 CZ TYR A 59 4.951 8.757 1.332 1.00 6.76 C ATOM 938 OH TYR A 59 3.821 9.602 1.073 1.00 7.63 O ATOM 0 H TYR A 59 9.924 5.687 1.012 1.00 7.97 H new ATOM 0 HA TYR A 59 9.288 7.211 3.505 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.905 5.037 1.830 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.365 5.458 3.443 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.314 8.293 3.711 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.591 6.091 0.061 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.416 9.783 3.118 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.609 7.539 -0.337 1.00 6.52 H new ATOM 0 HH TYR A 59 3.973 10.483 1.474 1.00 7.63 H new ATOM 948 N ASN A 60 11.018 4.555 3.095 1.00 12.38 N ATOM 949 CA ASN A 60 11.937 3.625 3.721 1.00 13.94 C ATOM 950 C ASN A 60 11.428 2.181 3.625 1.00 14.16 C ATOM 951 O ASN A 60 11.926 1.311 4.323 1.00 14.26 O ATOM 952 CB ASN A 60 12.359 4.035 5.131 1.00 19.23 C ATOM 953 CG ASN A 60 13.036 5.395 5.128 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.593 6.357 5.797 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.179 5.543 4.414 1.00 24.09 N ATOM 0 H ASN A 60 11.260 4.741 2.122 1.00 12.38 H new ATOM 0 HA ASN A 60 12.862 3.667 3.146 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.485 4.062 5.782 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.039 3.288 5.542 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.674 6.435 4.423 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.544 4.763 3.868 1.00 24.09 H new ATOM 962 N ILE A 61 10.436 1.801 2.796 1.00 11.08 N ATOM 963 CA ILE A 61 9.879 0.503 2.627 1.00 11.78 C ATOM 964 C ILE A 61 10.897 -0.478 2.043 1.00 13.74 C ATOM 965 O ILE A 61 11.455 -0.230 0.944 1.00 14.60 O ATOM 966 CB ILE A 61 8.678 0.644 1.745 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.546 1.319 2.480 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.125 -0.688 1.196 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.593 2.137 1.570 1.00 11.42 C ATOM 0 H ILE A 61 9.983 2.480 2.184 1.00 11.08 H new ATOM 0 HA ILE A 61 9.590 0.089 3.593 1.00 11.78 H new ATOM 0 HB ILE A 61 9.035 1.239 0.904 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.966 0.560 3.005 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.964 1.982 3.238 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.256 -0.490 0.568 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.894 -1.185 0.605 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.833 -1.331 2.027 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.809 2.589 2.177 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.157 2.921 1.064 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.143 1.477 0.828 1.00 11.42 H new ATOM 981 N GLN A 62 11.177 -1.524 2.789 1.00 13.97 N ATOM 982 CA GLN A 62 12.289 -2.449 2.475 1.00 15.52 C ATOM 983 C GLN A 62 11.793 -3.903 2.569 1.00 13.94 C ATOM 984 O GLN A 62 10.653 -4.191 2.964 1.00 12.15 O ATOM 985 CB GLN A 62 13.446 -2.322 3.375 1.00 19.53 C ATOM 986 CG GLN A 62 13.077 -2.375 4.881 1.00 26.38 C ATOM 987 CD GLN A 62 14.406 -2.254 5.704 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.470 -1.816 5.254 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.242 -2.517 7.005 1.00 32.71 N ATOM 0 H GLN A 62 10.655 -1.773 3.629 1.00 13.97 H new ATOM 0 HA GLN A 62 12.615 -2.184 1.469 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.154 -3.121 3.156 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.954 -1.380 3.168 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.395 -1.564 5.136 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.565 -3.308 5.116 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.350 -2.878 7.344 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.009 -2.357 7.658 1.00 32.71 H new ATOM 998 N LYS A 63 12.601 -4.870 2.037 1.00 11.73 N ATOM 999 CA LYS A 63 12.263 -6.287 2.093 1.00 11.97 C ATOM 1000 C LYS A 63 11.671 -6.782 3.376 1.00 10.41 C ATOM 1001 O LYS A 63 12.055 -6.385 4.469 1.00 9.59 O ATOM 1002 CB LYS A 63 13.501 -7.163 1.683 1.00 13.73 C ATOM 1003 CG LYS A 63 14.736 -7.068 2.653 1.00 16.98 C ATOM 1004 CD LYS A 63 15.752 -8.170 2.254 1.00 20.19 C ATOM 1005 CE LYS A 63 17.110 -7.854 2.886 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.097 -8.900 2.490 1.00 25.97 N ATOM 0 H LYS A 63 13.486 -4.672 1.570 1.00 11.73 H new ATOM 0 HA LYS A 63 11.454 -6.396 1.371 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.185 -8.205 1.622 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.820 -6.868 0.683 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.198 -6.083 2.585 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.418 -7.201 3.687 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.399 -9.145 2.589 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.845 -8.220 1.169 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.455 -6.872 2.562 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.018 -7.817 3.972 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.020 -8.686 2.919 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.769 -9.830 2.820 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.191 -8.914 1.454 1.00 25.97 H new ATOM 1020 N GLU A 64 10.637 -7.571 3.220 1.00 10.04 N ATOM 1021 CA GLU A 64 9.868 -8.167 4.370 1.00 10.94 C ATOM 1022 C GLU A 64 9.173 -7.190 5.312 1.00 9.74 C ATOM 1023 O GLU A 64 8.707 -7.624 6.375 1.00 9.42 O ATOM 1024 CB GLU A 64 10.721 -9.251 5.163 1.00 18.31 C ATOM 1025 CG GLU A 64 11.348 -10.240 4.130 1.00 24.16 C ATOM 1026 CD GLU A 64 12.063 -11.326 4.818 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.604 -12.061 5.677 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.268 -11.447 4.463 1.00 31.72 O ATOM 0 H GLU A 64 10.276 -7.840 2.305 1.00 10.04 H new ATOM 0 HA GLU A 64 9.036 -8.667 3.873 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.504 -8.765 5.745 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.088 -9.790 5.867 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.565 -10.657 3.497 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.035 -9.703 3.476 1.00 24.16 H new ATOM 1035 N SER A 65 9.065 -5.900 4.999 1.00 6.85 N ATOM 1036 CA SER A 65 8.245 -4.982 5.759 1.00 6.90 C ATOM 1037 C SER A 65 6.736 -5.318 5.755 1.00 4.72 C ATOM 1038 O SER A 65 6.124 -5.693 4.782 1.00 3.91 O ATOM 1039 CB SER A 65 8.426 -3.442 5.296 1.00 7.28 C ATOM 1040 OG SER A 65 9.788 -3.104 5.364 1.00 10.56 O ATOM 0 H SER A 65 9.547 -5.470 4.210 1.00 6.85 H new ATOM 0 HA SER A 65 8.617 -5.107 6.776 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.054 -3.308 4.280 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.842 -2.784 5.939 1.00 7.28 H new ATOM 0 HG SER A 65 10.253 -3.459 4.578 1.00 10.56 H new ATOM 1046 N THR A 66 6.079 -5.127 6.918 1.00 4.48 N ATOM 1047 CA THR A 66 4.597 -5.181 7.025 1.00 3.80 C ATOM 1048 C THR A 66 4.146 -3.733 6.885 1.00 4.60 C ATOM 1049 O THR A 66 4.582 -2.830 7.594 1.00 5.33 O ATOM 1050 CB THR A 66 4.112 -5.780 8.331 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.555 -7.131 8.400 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.592 -5.822 8.414 1.00 3.40 C ATOM 0 H THR A 66 6.549 -4.933 7.802 1.00 4.48 H new ATOM 0 HA THR A 66 4.178 -5.832 6.258 1.00 3.80 H new ATOM 0 HB THR A 66 4.503 -5.161 9.138 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.251 -7.533 9.241 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.292 -6.259 9.366 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.195 -4.810 8.338 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.200 -6.428 7.597 1.00 3.40 H new ATOM 1060 N LEU A 67 3.155 -3.603 5.997 1.00 4.17 N ATOM 1061 CA LEU A 67 2.499 -2.369 5.652 1.00 3.85 C ATOM 1062 C LEU A 67 1.038 -2.631 5.933 1.00 3.80 C ATOM 1063 O LEU A 67 0.654 -3.807 5.993 1.00 5.54 O ATOM 1064 CB LEU A 67 2.523 -1.958 4.229 1.00 7.18 C ATOM 1065 CG LEU A 67 3.863 -1.237 3.814 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.055 -2.174 3.882 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.761 -0.576 2.521 1.00 11.66 C ATOM 0 H LEU A 67 2.782 -4.402 5.484 1.00 4.17 H new ATOM 0 HA LEU A 67 3.014 -1.586 6.208 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.381 -2.838 3.601 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.684 -1.290 4.036 1.00 7.18 H new ATOM 0 HG LEU A 67 4.033 -0.451 4.549 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.957 -1.637 3.588 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.169 -2.545 4.901 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.896 -3.014 3.206 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.710 -0.095 2.282 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.524 -1.313 1.753 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.973 0.176 2.558 1.00 11.66 H new ATOM 1079 N HIS A 68 0.212 -1.625 6.081 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.160 -1.896 6.562 1.00 4.17 C ATOM 1081 C HIS A 68 -2.157 -1.314 5.612 1.00 5.32 C ATOM 1082 O HIS A 68 -2.121 -0.116 5.289 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.345 -1.316 7.965 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.219 -1.710 8.887 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.556 -0.767 9.508 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.306 -2.947 9.244 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.453 -1.431 10.197 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.406 -2.733 10.075 1.00 16.30 N ATOM 0 H HIS A 68 0.431 -0.647 5.891 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.318 -2.973 6.611 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.402 -0.229 7.904 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.292 -1.662 8.379 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.073 -3.909 8.931 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.181 -0.937 10.823 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.027 -3.428 10.490 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.193 -2.130 5.248 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.293 -1.568 4.491 1.00 3.97 C ATOM 1098 C LEU A 69 -5.551 -1.249 5.279 1.00 5.07 C ATOM 1099 O LEU A 69 -6.000 -2.029 6.096 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.590 -2.504 3.311 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.864 -2.151 2.472 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.033 -0.839 1.629 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.970 -3.279 1.418 1.00 9.96 C ATOM 0 H LEU A 69 -3.267 -3.124 5.465 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.965 -0.586 4.151 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.727 -2.505 2.645 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.699 -3.519 3.694 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.602 -2.014 3.262 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.009 -0.841 1.144 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.956 0.028 2.285 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.251 -0.790 0.871 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.841 -3.106 0.786 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.071 -3.287 0.802 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.073 -4.240 1.922 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.069 -0.009 5.106 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.370 0.374 5.646 1.00 6.26 C ATOM 1117 C VAL A 70 -8.119 1.082 4.531 1.00 9.22 C ATOM 1118 O VAL A 70 -7.601 1.941 3.831 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.381 1.247 6.893 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.805 1.644 7.422 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.615 0.460 7.961 1.00 8.54 C ATOM 0 H VAL A 70 -5.595 0.735 4.594 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.835 -0.551 5.985 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.922 2.205 6.646 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.702 2.265 8.312 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.338 2.200 6.651 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.365 0.743 7.671 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.586 1.035 8.886 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.115 -0.492 8.141 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.597 0.276 7.617 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.394 0.687 4.309 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.322 1.367 3.349 1.00 16.06 C ATOM 1133 C LEU A 71 -10.573 2.845 3.750 1.00 18.09 C ATOM 1134 O LEU A 71 -10.890 3.090 4.932 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.713 0.739 3.225 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.622 -0.717 2.675 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.986 -1.340 2.463 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.860 -0.813 1.358 1.00 19.57 C ATOM 0 H LEU A 71 -9.817 -0.110 4.785 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.798 1.264 2.399 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.202 0.734 4.199 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.331 1.344 2.562 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.078 -1.262 3.447 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.868 -2.353 2.079 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.523 -1.371 3.411 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.551 -0.744 1.746 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.832 -1.852 1.029 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.360 -0.206 0.603 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.842 -0.450 1.499 1.00 19.57 H new