USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 170:sc= 0.0812 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -177:sc= 0.582 (180deg=-0.0477) USER MOD Set 2.2: A 12 THR OG1 : rot 110:sc= 0.423 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0528 (180deg=-0.225) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.24 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.96) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.598 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.97 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.089 X(o=-0.089,f=-0.48) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 1.26 (180deg=0.935) USER MOD Single : A 40 GLN : amide:sc= -0.879 X(o=-0.88,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= -0.387 K(o=-0.39,f=-6.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -55:sc= 0.688 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.916 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -112:sc= 1.29 (180deg=-0.319) USER MOD Single : A 65 SER OG : rot 111:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.981 3.414 -4.663 1.00 9.67 N ATOM 2 CA MET A 1 -12.664 4.115 -3.398 1.00 10.38 C ATOM 3 C MET A 1 -11.312 4.704 -3.191 1.00 9.62 C ATOM 4 O MET A 1 -10.260 4.333 -3.710 1.00 9.62 O ATOM 5 CB MET A 1 -12.986 3.170 -2.228 1.00 13.77 C ATOM 6 CG MET A 1 -12.036 1.977 -2.110 1.00 16.29 C ATOM 7 SD MET A 1 -12.354 0.962 -0.635 1.00 17.17 S ATOM 8 CE MET A 1 -10.692 0.275 -0.385 1.00 16.11 C ATOM 0 H1 MET A 1 -13.981 3.130 -4.661 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.804 4.050 -5.466 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.381 2.569 -4.751 1.00 9.67 H new ATOM 0 HA MET A 1 -13.288 5.007 -3.456 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.957 3.738 -1.298 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.005 2.800 -2.344 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.130 1.355 -3.000 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.008 2.339 -2.081 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.576 -0.027 0.656 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.556 -0.592 -1.032 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.945 1.031 -0.629 1.00 16.11 H new ATOM 20 N GLN A 2 -11.214 5.730 -2.328 1.00 9.27 N ATOM 21 CA GLN A 2 -10.093 6.539 -1.958 1.00 9.07 C ATOM 22 C GLN A 2 -9.430 5.942 -0.765 1.00 8.72 C ATOM 23 O GLN A 2 -9.978 5.508 0.247 1.00 8.22 O ATOM 24 CB GLN A 2 -10.474 7.980 -1.580 1.00 14.46 C ATOM 25 CG GLN A 2 -10.917 8.696 -2.857 1.00 17.01 C ATOM 26 CD GLN A 2 -11.026 10.200 -2.653 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.029 10.916 -2.736 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.226 10.694 -2.248 1.00 19.49 N ATOM 0 H GLN A 2 -12.045 6.032 -1.819 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.443 6.571 -2.832 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.277 7.982 -0.843 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.625 8.494 -1.129 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.205 8.488 -3.656 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.881 8.302 -3.179 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -13.037 10.078 -2.188 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.315 11.680 -2.004 1.00 19.49 H new ATOM 37 N ILE A 3 -8.090 5.830 -0.821 1.00 5.87 N ATOM 38 CA ILE A 3 -7.226 5.389 0.230 1.00 5.07 C ATOM 39 C ILE A 3 -6.077 6.337 0.235 1.00 4.01 C ATOM 40 O ILE A 3 -5.715 6.937 -0.776 1.00 4.61 O ATOM 41 CB ILE A 3 -6.703 3.993 0.067 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.209 3.711 -1.362 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.825 3.014 0.452 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.375 2.436 -1.474 1.00 10.83 C ATOM 0 H ILE A 3 -7.573 6.067 -1.668 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.796 5.374 1.159 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.838 3.866 0.718 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.069 3.634 -2.027 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.614 4.557 -1.707 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.468 1.990 0.341 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.119 3.186 1.487 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.684 3.171 -0.200 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.059 2.297 -2.508 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.496 2.519 -0.834 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.974 1.581 -1.160 1.00 10.83 H new ATOM 56 N PHE A 4 -5.504 6.508 1.440 1.00 4.55 N ATOM 57 CA PHE A 4 -4.429 7.438 1.602 1.00 4.68 C ATOM 58 C PHE A 4 -3.167 6.696 1.879 1.00 5.30 C ATOM 59 O PHE A 4 -3.203 5.712 2.617 1.00 5.58 O ATOM 60 CB PHE A 4 -4.680 8.370 2.800 1.00 4.83 C ATOM 61 CG PHE A 4 -6.030 9.000 2.811 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.565 9.664 1.732 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.687 8.853 4.010 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.685 10.425 1.972 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.948 9.398 4.081 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.413 10.274 3.129 1.00 8.90 C ATOM 0 H PHE A 4 -5.778 6.012 2.288 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.356 8.022 0.685 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.549 7.802 3.721 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.925 9.156 2.799 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.128 9.592 0.747 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.239 8.339 4.848 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.998 11.154 1.239 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.590 9.130 4.907 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.326 10.829 3.286 1.00 8.90 H new ATOM 76 N VAL A 5 -2.021 7.008 1.247 1.00 4.44 N ATOM 77 CA VAL A 5 -0.739 6.443 1.536 1.00 3.87 C ATOM 78 C VAL A 5 0.174 7.498 2.059 1.00 4.93 C ATOM 79 O VAL A 5 0.499 8.448 1.349 1.00 6.84 O ATOM 80 CB VAL A 5 -0.052 5.769 0.385 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.093 4.887 0.911 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.952 5.057 -0.639 1.00 9.13 C ATOM 0 H VAL A 5 -1.988 7.693 0.492 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.946 5.665 2.271 1.00 3.87 H new ATOM 0 HB VAL A 5 0.358 6.575 -0.224 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.590 4.399 0.073 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.811 5.506 1.449 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.690 4.131 1.584 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.334 4.612 -1.419 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.524 4.276 -0.139 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.636 5.778 -1.086 1.00 9.13 H new ATOM 92 N LYS A 6 0.692 7.334 3.289 1.00 6.04 N ATOM 93 CA LYS A 6 1.769 8.089 3.850 1.00 6.12 C ATOM 94 C LYS A 6 3.121 7.516 3.598 1.00 6.57 C ATOM 95 O LYS A 6 3.450 6.345 3.781 1.00 5.76 O ATOM 96 CB LYS A 6 1.507 8.163 5.364 1.00 7.45 C ATOM 97 CG LYS A 6 0.295 9.042 5.680 1.00 11.12 C ATOM 98 CD LYS A 6 0.113 9.262 7.183 1.00 14.54 C ATOM 99 CE LYS A 6 -0.972 10.272 7.563 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.705 11.636 7.055 1.00 20.55 N ATOM 0 H LYS A 6 0.335 6.628 3.933 1.00 6.04 H new ATOM 0 HA LYS A 6 1.787 9.068 3.371 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.342 7.159 5.755 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.388 8.561 5.868 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.410 10.006 5.185 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.603 8.579 5.271 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.123 8.305 7.649 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.062 9.595 7.603 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.931 9.928 7.175 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.062 10.307 8.649 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.449 12.282 7.388 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.219 11.962 7.404 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.698 11.624 6.015 1.00 20.55 H new ATOM 114 N THR A 7 4.018 8.375 3.081 1.00 7.41 N ATOM 115 CA THR A 7 5.242 7.902 2.512 1.00 7.48 C ATOM 116 C THR A 7 6.224 7.620 3.596 1.00 8.75 C ATOM 117 O THR A 7 5.919 7.786 4.776 1.00 8.58 O ATOM 118 CB THR A 7 5.761 8.821 1.447 1.00 9.61 C ATOM 119 OG1 THR A 7 6.104 10.109 1.939 1.00 11.78 O ATOM 120 CG2 THR A 7 4.740 8.933 0.303 1.00 9.17 C ATOM 0 H THR A 7 3.898 9.388 3.057 1.00 7.41 H new ATOM 0 HA THR A 7 5.055 6.961 1.994 1.00 7.48 H new ATOM 0 HB THR A 7 6.685 8.381 1.072 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.582 10.608 1.244 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.126 9.603 -0.465 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.567 7.947 -0.128 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.801 9.329 0.691 1.00 9.17 H new ATOM 128 N LEU A 8 7.504 7.415 3.235 1.00 9.84 N ATOM 129 CA LEU A 8 8.662 7.333 4.068 1.00 14.15 C ATOM 130 C LEU A 8 8.897 8.580 4.850 1.00 17.37 C ATOM 131 O LEU A 8 9.200 8.599 6.042 1.00 17.01 O ATOM 132 CB LEU A 8 9.944 6.887 3.345 1.00 16.63 C ATOM 133 CG LEU A 8 11.192 6.568 4.186 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.994 5.216 4.893 1.00 18.59 C ATOM 135 CD2 LEU A 8 12.462 6.532 3.319 1.00 19.31 C ATOM 0 H LEU A 8 7.749 7.294 2.252 1.00 9.84 H new ATOM 0 HA LEU A 8 8.422 6.533 4.768 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.703 5.999 2.761 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.214 7.670 2.637 1.00 16.63 H new ATOM 0 HG LEU A 8 11.322 7.358 4.926 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.876 4.985 5.490 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.120 5.269 5.542 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.846 4.434 4.148 1.00 18.59 H new ATOM 0 HD21 LEU A 8 13.324 6.304 3.946 1.00 19.31 H new ATOM 0 HD22 LEU A 8 12.358 5.764 2.552 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.606 7.502 2.844 1.00 19.31 H new ATOM 147 N THR A 9 8.990 9.692 4.099 1.00 18.33 N ATOM 148 CA THR A 9 9.514 10.953 4.523 1.00 19.24 C ATOM 149 C THR A 9 8.432 11.817 5.074 1.00 19.48 C ATOM 150 O THR A 9 8.639 12.439 6.115 1.00 23.14 O ATOM 151 CB THR A 9 10.177 11.812 3.488 1.00 18.97 C ATOM 152 OG1 THR A 9 9.498 11.892 2.243 1.00 20.24 O ATOM 153 CG2 THR A 9 11.473 11.080 3.100 1.00 19.70 C ATOM 0 H THR A 9 8.677 9.710 3.128 1.00 18.33 H new ATOM 0 HA THR A 9 10.271 10.638 5.241 1.00 19.24 H new ATOM 0 HB THR A 9 10.255 12.806 3.927 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.000 12.472 1.633 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.005 11.658 2.345 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.104 10.966 3.981 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.229 10.096 2.699 1.00 19.70 H new ATOM 161 N GLY A 10 7.198 11.755 4.542 1.00 19.43 N ATOM 162 CA GLY A 10 5.984 12.335 5.026 1.00 18.74 C ATOM 163 C GLY A 10 5.279 13.087 3.950 1.00 17.62 C ATOM 164 O GLY A 10 5.352 14.314 3.897 1.00 19.74 O ATOM 0 H GLY A 10 7.037 11.240 3.676 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.332 11.551 5.412 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.204 13.005 5.857 1.00 18.74 H new ATOM 168 N LYS A 11 4.566 12.380 3.055 1.00 13.56 N ATOM 169 CA LYS A 11 3.814 13.009 2.014 1.00 11.91 C ATOM 170 C LYS A 11 2.639 12.093 2.041 1.00 10.18 C ATOM 171 O LYS A 11 2.768 10.871 2.079 1.00 9.10 O ATOM 172 CB LYS A 11 4.494 12.904 0.638 1.00 13.43 C ATOM 173 CG LYS A 11 3.747 13.219 -0.659 1.00 16.69 C ATOM 174 CD LYS A 11 4.678 13.054 -1.862 1.00 17.92 C ATOM 175 CE LYS A 11 4.125 13.711 -3.129 1.00 20.81 C ATOM 176 NZ LYS A 11 4.969 13.549 -4.334 1.00 21.93 N ATOM 0 H LYS A 11 4.511 11.362 3.053 1.00 13.56 H new ATOM 0 HA LYS A 11 3.644 14.076 2.155 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.365 13.559 0.667 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.865 11.883 0.547 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.888 12.556 -0.762 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.361 14.238 -0.626 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.650 13.488 -1.627 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.840 11.992 -2.049 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.139 13.295 -3.335 1.00 20.81 H new ATOM 0 HE3 LYS A 11 3.989 14.776 -2.939 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.451 13.889 -5.169 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.844 14.100 -4.222 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.206 12.544 -4.459 1.00 21.93 H new ATOM 190 N THR A 12 1.426 12.667 1.946 1.00 9.63 N ATOM 191 CA THR A 12 0.198 11.940 1.848 1.00 9.85 C ATOM 192 C THR A 12 -0.327 12.115 0.465 1.00 11.66 C ATOM 193 O THR A 12 -0.974 13.130 0.214 1.00 12.33 O ATOM 194 CB THR A 12 -0.897 12.292 2.811 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.384 12.076 4.117 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.041 11.276 2.659 1.00 9.63 C ATOM 0 H THR A 12 1.296 13.679 1.937 1.00 9.63 H new ATOM 0 HA THR A 12 0.465 10.915 2.108 1.00 9.85 H new ATOM 0 HB THR A 12 -1.236 13.313 2.636 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.255 12.938 4.565 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.842 11.523 3.355 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.424 11.309 1.639 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.669 10.274 2.875 1.00 9.63 H new ATOM 204 N ILE A 13 -0.103 11.066 -0.347 1.00 10.42 N ATOM 205 CA ILE A 13 -0.692 10.730 -1.606 1.00 11.84 C ATOM 206 C ILE A 13 -1.987 10.021 -1.398 1.00 10.55 C ATOM 207 O ILE A 13 -2.270 9.390 -0.381 1.00 11.92 O ATOM 208 CB ILE A 13 0.269 10.016 -2.510 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.467 8.538 -2.134 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.603 10.773 -2.399 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.300 7.671 -3.077 1.00 16.46 C ATOM 0 H ILE A 13 0.585 10.362 -0.079 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.928 11.650 -2.142 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.124 10.008 -3.527 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.930 8.502 -1.148 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.518 8.081 -2.040 1.00 14.87 H new ATOM 0 HG21 ILE A 13 2.346 10.297 -3.039 1.00 17.08 H new ATOM 0 HG22 ILE A 13 1.462 11.807 -2.714 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.948 10.753 -1.365 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.354 6.655 -2.685 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.835 7.655 -4.063 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.306 8.083 -3.157 1.00 16.46 H new ATOM 223 N THR A 14 -2.870 10.137 -2.406 1.00 9.39 N ATOM 224 CA THR A 14 -4.202 9.617 -2.412 1.00 9.63 C ATOM 225 C THR A 14 -4.278 8.667 -3.558 1.00 11.20 C ATOM 226 O THR A 14 -3.760 9.006 -4.621 1.00 11.63 O ATOM 227 CB THR A 14 -5.335 10.598 -2.364 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.154 11.481 -1.266 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.675 9.878 -2.136 1.00 11.66 C ATOM 0 H THR A 14 -2.638 10.625 -3.271 1.00 9.39 H new ATOM 0 HA THR A 14 -4.365 9.120 -1.456 1.00 9.63 H new ATOM 0 HB THR A 14 -5.348 11.133 -3.314 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.894 12.123 -1.237 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.481 10.611 -2.105 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.854 9.176 -2.950 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.641 9.336 -1.191 1.00 11.66 H new ATOM 237 N LEU A 15 -4.939 7.500 -3.459 1.00 8.29 N ATOM 238 CA LEU A 15 -5.112 6.680 -4.618 1.00 9.03 C ATOM 239 C LEU A 15 -6.505 6.166 -4.744 1.00 8.59 C ATOM 240 O LEU A 15 -7.117 5.869 -3.719 1.00 7.79 O ATOM 241 CB LEU A 15 -4.321 5.381 -4.394 1.00 11.08 C ATOM 242 CG LEU A 15 -2.801 5.576 -4.257 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.276 4.174 -3.907 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.082 6.102 -5.511 1.00 15.88 C ATOM 0 H LEU A 15 -5.345 7.130 -2.599 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.818 7.286 -5.475 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.695 4.893 -3.494 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.514 4.704 -5.226 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.603 6.345 -3.510 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.193 4.210 -3.788 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.732 3.837 -2.976 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.530 3.480 -4.708 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.016 6.202 -5.304 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.228 5.403 -6.334 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.492 7.074 -5.784 1.00 15.88 H new ATOM 256 N GLU A 16 -7.012 5.879 -5.957 1.00 11.04 N ATOM 257 CA GLU A 16 -8.320 5.322 -6.106 1.00 11.50 C ATOM 258 C GLU A 16 -8.295 3.858 -6.385 1.00 10.13 C ATOM 259 O GLU A 16 -7.766 3.489 -7.432 1.00 9.83 O ATOM 260 CB GLU A 16 -9.238 6.051 -7.101 1.00 17.22 C ATOM 261 CG GLU A 16 -9.465 7.548 -6.879 1.00 23.33 C ATOM 262 CD GLU A 16 -10.454 8.013 -7.938 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.675 7.805 -7.707 1.00 28.90 O ATOM 264 OE2 GLU A 16 -10.086 8.653 -8.960 1.00 28.86 O ATOM 0 H GLU A 16 -6.515 6.033 -6.835 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.769 5.481 -5.126 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.826 5.917 -8.101 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.209 5.557 -7.088 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.856 7.734 -5.879 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.526 8.096 -6.961 1.00 23.33 H new ATOM 271 N VAL A 17 -8.845 2.968 -5.540 1.00 8.99 N ATOM 272 CA VAL A 17 -8.844 1.550 -5.722 1.00 8.85 C ATOM 273 C VAL A 17 -10.189 0.942 -5.521 1.00 8.04 C ATOM 274 O VAL A 17 -11.089 1.670 -5.104 1.00 8.99 O ATOM 275 CB VAL A 17 -7.849 0.754 -4.930 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.439 1.181 -5.372 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.202 1.097 -3.473 1.00 10.54 C ATOM 0 H VAL A 17 -9.317 3.255 -4.682 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.527 1.480 -6.763 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.874 -0.327 -5.069 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.695 0.616 -4.810 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.316 0.984 -6.437 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.305 2.246 -5.182 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.530 0.564 -2.801 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.096 2.170 -3.316 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.231 0.800 -3.268 1.00 10.54 H new ATOM 287 N GLU A 18 -10.346 -0.360 -5.819 1.00 7.29 N ATOM 288 CA GLU A 18 -11.519 -1.106 -5.484 1.00 7.08 C ATOM 289 C GLU A 18 -11.073 -2.080 -4.449 1.00 6.45 C ATOM 290 O GLU A 18 -9.877 -2.352 -4.353 1.00 5.28 O ATOM 291 CB GLU A 18 -11.996 -1.776 -6.784 1.00 10.28 C ATOM 292 CG GLU A 18 -13.392 -2.402 -6.822 1.00 12.65 C ATOM 293 CD GLU A 18 -14.428 -1.301 -6.651 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.349 -0.318 -7.435 1.00 18.17 O ATOM 295 OE2 GLU A 18 -15.319 -1.458 -5.774 1.00 14.33 O ATOM 0 H GLU A 18 -9.638 -0.909 -6.306 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.351 -0.523 -5.089 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.947 -1.030 -7.577 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.278 -2.556 -7.036 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -13.547 -2.922 -7.767 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.495 -3.143 -6.030 1.00 12.65 H new ATOM 302 N PRO A 19 -11.868 -2.617 -3.571 1.00 7.24 N ATOM 303 CA PRO A 19 -11.479 -3.483 -2.497 1.00 7.07 C ATOM 304 C PRO A 19 -11.064 -4.825 -2.996 1.00 6.65 C ATOM 305 O PRO A 19 -10.461 -5.499 -2.162 1.00 6.37 O ATOM 306 CB PRO A 19 -12.770 -3.796 -1.744 1.00 7.61 C ATOM 307 CG PRO A 19 -13.558 -2.480 -1.839 1.00 8.16 C ATOM 308 CD PRO A 19 -13.098 -1.933 -3.200 1.00 7.49 C ATOM 0 HA PRO A 19 -10.678 -3.005 -1.933 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.312 -4.624 -2.201 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.575 -4.075 -0.709 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.635 -2.646 -1.808 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.317 -1.799 -1.022 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.867 -2.096 -3.955 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.932 -0.857 -3.141 1.00 7.49 H new ATOM 316 N SER A 20 -11.328 -5.145 -4.276 1.00 6.80 N ATOM 317 CA SER A 20 -10.934 -6.418 -4.795 1.00 6.28 C ATOM 318 C SER A 20 -9.585 -6.277 -5.411 1.00 8.45 C ATOM 319 O SER A 20 -8.990 -7.264 -5.843 1.00 7.26 O ATOM 320 CB SER A 20 -11.943 -6.745 -5.909 1.00 8.57 C ATOM 321 OG SER A 20 -12.121 -5.670 -6.821 1.00 11.13 O ATOM 0 H SER A 20 -11.805 -4.536 -4.940 1.00 6.80 H new ATOM 0 HA SER A 20 -10.908 -7.187 -4.023 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.603 -7.626 -6.454 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.904 -6.998 -5.461 1.00 8.57 H new ATOM 0 HG SER A 20 -12.769 -5.929 -7.509 1.00 11.13 H new ATOM 327 N ASP A 21 -8.957 -5.088 -5.451 1.00 7.50 N ATOM 328 CA ASP A 21 -7.596 -4.868 -5.830 1.00 7.70 C ATOM 329 C ASP A 21 -6.604 -5.345 -4.826 1.00 7.08 C ATOM 330 O ASP A 21 -6.727 -5.383 -3.602 1.00 8.11 O ATOM 331 CB ASP A 21 -7.272 -3.396 -6.137 1.00 11.00 C ATOM 332 CG ASP A 21 -7.806 -2.863 -7.459 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.055 -3.664 -8.399 1.00 14.36 O ATOM 334 OD2 ASP A 21 -8.288 -1.704 -7.568 1.00 18.03 O ATOM 0 H ASP A 21 -9.434 -4.222 -5.201 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.503 -5.462 -6.739 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.670 -2.780 -5.331 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.189 -3.272 -6.128 1.00 11.00 H new ATOM 339 N THR A 22 -5.529 -5.848 -5.457 1.00 5.37 N ATOM 340 CA THR A 22 -4.504 -6.577 -4.777 1.00 6.01 C ATOM 341 C THR A 22 -3.479 -5.648 -4.224 1.00 8.01 C ATOM 342 O THR A 22 -3.412 -4.486 -4.623 1.00 8.11 O ATOM 343 CB THR A 22 -3.813 -7.591 -5.640 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.256 -6.981 -6.796 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.802 -8.627 -6.201 1.00 9.65 C ATOM 0 H THR A 22 -5.368 -5.747 -6.459 1.00 5.37 H new ATOM 0 HA THR A 22 -5.012 -7.115 -3.977 1.00 6.01 H new ATOM 0 HB THR A 22 -3.058 -8.049 -5.000 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.810 -7.661 -7.342 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.265 -9.345 -6.821 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.287 -9.151 -5.377 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.557 -8.121 -6.803 1.00 9.65 H new ATOM 353 N ILE A 23 -2.577 -6.174 -3.376 1.00 8.32 N ATOM 354 CA ILE A 23 -1.504 -5.374 -2.873 1.00 9.92 C ATOM 355 C ILE A 23 -0.577 -5.106 -4.008 1.00 10.01 C ATOM 356 O ILE A 23 -0.020 -4.020 -4.165 1.00 8.71 O ATOM 357 CB ILE A 23 -0.761 -5.957 -1.707 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.515 -5.884 -0.369 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.557 -5.221 -1.415 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.910 -6.504 -0.309 1.00 12.30 C ATOM 0 H ILE A 23 -2.589 -7.138 -3.043 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.941 -4.459 -2.472 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.616 -6.989 -2.026 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -0.900 -6.367 0.390 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.602 -4.834 -0.089 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.052 -5.685 -0.562 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.207 -5.279 -2.288 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.347 -4.176 -1.188 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.321 -6.379 0.693 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.559 -6.010 -1.032 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.847 -7.566 -0.545 1.00 12.30 H new ATOM 372 N GLU A 24 -0.371 -6.091 -4.900 1.00 9.54 N ATOM 373 CA GLU A 24 0.348 -5.900 -6.122 1.00 11.81 C ATOM 374 C GLU A 24 -0.181 -4.787 -6.959 1.00 11.14 C ATOM 375 O GLU A 24 0.617 -3.967 -7.411 1.00 10.62 O ATOM 376 CB GLU A 24 0.380 -7.285 -6.791 1.00 19.24 C ATOM 377 CG GLU A 24 1.508 -7.318 -7.824 1.00 27.76 C ATOM 378 CD GLU A 24 2.920 -7.071 -7.312 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.407 -7.833 -6.436 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.573 -6.122 -7.824 1.00 34.80 O ATOM 0 H GLU A 24 -0.712 -7.043 -4.769 1.00 9.54 H new ATOM 0 HA GLU A 24 1.366 -5.551 -5.949 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.534 -8.061 -6.041 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.576 -7.492 -7.272 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.491 -8.292 -8.314 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.289 -6.572 -8.589 1.00 27.76 H new ATOM 387 N ASN A 25 -1.482 -4.671 -7.281 1.00 9.43 N ATOM 388 CA ASN A 25 -2.069 -3.558 -7.961 1.00 10.96 C ATOM 389 C ASN A 25 -1.960 -2.248 -7.259 1.00 9.68 C ATOM 390 O ASN A 25 -1.746 -1.244 -7.937 1.00 9.33 O ATOM 391 CB ASN A 25 -3.562 -3.883 -8.138 1.00 16.78 C ATOM 392 CG ASN A 25 -4.167 -3.182 -9.346 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.254 -1.957 -9.414 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.352 -3.885 -10.495 1.00 24.70 N ATOM 0 H ASN A 25 -2.163 -5.396 -7.053 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.522 -3.434 -8.895 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.687 -4.960 -8.246 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.105 -3.588 -7.240 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.554 -3.394 -11.366 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.289 -4.903 -10.486 1.00 24.70 H new ATOM 401 N VAL A 26 -2.013 -2.265 -5.915 1.00 6.52 N ATOM 402 CA VAL A 26 -1.700 -1.132 -5.100 1.00 5.53 C ATOM 403 C VAL A 26 -0.358 -0.548 -5.382 1.00 4.42 C ATOM 404 O VAL A 26 -0.240 0.655 -5.612 1.00 3.40 O ATOM 405 CB VAL A 26 -2.108 -1.317 -3.668 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.611 -0.194 -2.742 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.620 -1.505 -3.459 1.00 8.12 C ATOM 0 H VAL A 26 -2.281 -3.091 -5.380 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.344 -0.308 -5.407 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.614 -2.248 -3.392 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.941 -0.391 -1.722 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.522 -0.155 -2.770 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.017 0.760 -3.077 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.827 -1.632 -2.396 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.150 -0.628 -3.830 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.955 -2.389 -4.002 1.00 8.12 H new ATOM 417 N LYS A 27 0.759 -1.296 -5.345 1.00 2.64 N ATOM 418 CA LYS A 27 2.091 -0.979 -5.758 1.00 4.14 C ATOM 419 C LYS A 27 2.330 -0.470 -7.138 1.00 5.58 C ATOM 420 O LYS A 27 3.296 0.242 -7.410 1.00 4.11 O ATOM 421 CB LYS A 27 2.973 -2.181 -5.384 1.00 3.97 C ATOM 422 CG LYS A 27 2.977 -2.646 -3.926 1.00 7.45 C ATOM 423 CD LYS A 27 3.831 -3.873 -3.602 1.00 9.02 C ATOM 424 CE LYS A 27 3.352 -5.086 -4.402 1.00 12.90 C ATOM 425 NZ LYS A 27 4.258 -6.229 -4.153 1.00 15.47 N ATOM 0 H LYS A 27 0.717 -2.246 -4.977 1.00 2.64 H new ATOM 0 HA LYS A 27 2.361 -0.072 -5.218 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.666 -3.025 -6.002 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.000 -1.940 -5.660 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.320 -1.818 -3.305 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.949 -2.859 -3.633 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.876 -3.667 -3.833 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.777 -4.089 -2.535 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.333 -5.346 -4.114 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.332 -4.849 -5.466 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.132 -6.941 -4.901 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.244 -5.897 -4.153 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.036 -6.653 -3.230 1.00 15.47 H new ATOM 439 N ALA A 28 1.449 -0.761 -8.111 1.00 6.61 N ATOM 440 CA ALA A 28 1.467 -0.311 -9.469 1.00 7.74 C ATOM 441 C ALA A 28 1.024 1.108 -9.568 1.00 9.17 C ATOM 442 O ALA A 28 1.512 2.002 -10.258 1.00 11.45 O ATOM 443 CB ALA A 28 0.545 -1.335 -10.151 1.00 7.68 C ATOM 0 H ALA A 28 0.650 -1.368 -7.928 1.00 6.61 H new ATOM 0 HA ALA A 28 2.448 -0.281 -9.943 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.468 -1.105 -11.214 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.957 -2.336 -10.026 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.445 -1.291 -9.698 1.00 7.68 H new ATOM 449 N LYS A 29 0.011 1.449 -8.751 1.00 8.96 N ATOM 450 CA LYS A 29 -0.420 2.810 -8.669 1.00 7.90 C ATOM 451 C LYS A 29 0.547 3.751 -8.040 1.00 6.92 C ATOM 452 O LYS A 29 0.663 4.904 -8.454 1.00 6.87 O ATOM 453 CB LYS A 29 -1.821 2.768 -8.035 1.00 10.28 C ATOM 454 CG LYS A 29 -2.854 2.054 -8.909 1.00 14.94 C ATOM 455 CD LYS A 29 -2.917 2.449 -10.386 1.00 19.69 C ATOM 456 CE LYS A 29 -4.231 2.028 -11.048 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.336 2.444 -12.464 1.00 24.98 N ATOM 0 H LYS A 29 -0.501 0.796 -8.158 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.471 3.254 -9.663 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.761 2.266 -7.069 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.158 3.787 -7.844 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.659 0.983 -8.854 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -3.839 2.222 -8.473 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.798 3.529 -10.476 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.083 1.991 -10.917 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.329 0.944 -10.987 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.064 2.455 -10.489 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.248 2.128 -12.852 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.273 3.480 -12.527 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.561 2.016 -13.010 1.00 24.98 H new ATOM 471 N ILE A 30 1.345 3.304 -7.053 1.00 4.57 N ATOM 472 CA ILE A 30 2.388 4.032 -6.399 1.00 5.58 C ATOM 473 C ILE A 30 3.542 4.099 -7.339 1.00 7.26 C ATOM 474 O ILE A 30 4.091 5.191 -7.474 1.00 9.46 O ATOM 475 CB ILE A 30 2.703 3.367 -5.092 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.501 3.166 -4.154 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.919 4.020 -4.414 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.854 2.369 -2.899 1.00 2.00 C ATOM 0 H ILE A 30 1.252 2.358 -6.684 1.00 4.57 H new ATOM 0 HA ILE A 30 2.100 5.055 -6.155 1.00 5.58 H new ATOM 0 HB ILE A 30 2.982 2.343 -5.341 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.108 4.140 -3.862 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.707 2.651 -4.694 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.123 3.516 -3.469 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.789 3.934 -5.066 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.709 5.073 -4.226 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.966 2.259 -2.276 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.220 1.383 -3.185 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.627 2.895 -2.339 1.00 2.00 H new ATOM 490 N GLN A 31 3.967 2.996 -7.981 1.00 7.06 N ATOM 491 CA GLN A 31 4.909 2.940 -9.055 1.00 8.67 C ATOM 492 C GLN A 31 4.657 3.956 -10.116 1.00 10.90 C ATOM 493 O GLN A 31 5.605 4.705 -10.346 1.00 9.63 O ATOM 494 CB GLN A 31 4.843 1.596 -9.799 1.00 9.12 C ATOM 495 CG GLN A 31 5.990 1.363 -10.785 1.00 10.76 C ATOM 496 CD GLN A 31 5.969 0.020 -11.500 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.059 -0.803 -11.402 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.014 -0.360 -12.283 1.00 14.76 N ATOM 0 H GLN A 31 3.623 2.070 -7.727 1.00 7.06 H new ATOM 0 HA GLN A 31 5.868 3.109 -8.565 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.840 0.789 -9.067 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.898 1.540 -10.340 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.970 2.155 -11.534 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.934 1.455 -10.248 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.808 0.267 -12.414 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.004 -1.272 -12.739 1.00 14.76 H new ATOM 507 N ASP A 32 3.422 4.116 -10.626 1.00 10.93 N ATOM 508 CA ASP A 32 3.221 5.043 -11.695 1.00 14.01 C ATOM 509 C ASP A 32 3.365 6.474 -11.304 1.00 14.04 C ATOM 510 O ASP A 32 3.855 7.247 -12.127 1.00 13.39 O ATOM 511 CB ASP A 32 1.829 4.725 -12.265 1.00 18.01 C ATOM 512 CG ASP A 32 1.734 5.451 -13.599 1.00 24.33 C ATOM 513 OD1 ASP A 32 2.148 4.912 -14.660 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.024 6.490 -13.653 1.00 25.17 O ATOM 0 H ASP A 32 2.588 3.621 -10.311 1.00 10.93 H new ATOM 0 HA ASP A 32 4.003 4.920 -12.444 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.700 3.651 -12.398 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.045 5.059 -11.585 1.00 18.01 H new ATOM 519 N LYS A 33 2.706 6.856 -10.196 1.00 14.22 N ATOM 520 CA LYS A 33 2.658 8.236 -9.823 1.00 14.00 C ATOM 521 C LYS A 33 3.959 8.755 -9.312 1.00 12.37 C ATOM 522 O LYS A 33 4.416 9.754 -9.864 1.00 12.17 O ATOM 523 CB LYS A 33 1.521 8.356 -8.795 1.00 18.62 C ATOM 524 CG LYS A 33 1.309 9.796 -8.323 1.00 24.00 C ATOM 525 CD LYS A 33 0.501 9.846 -7.025 1.00 27.61 C ATOM 526 CE LYS A 33 0.038 11.254 -6.646 1.00 27.64 C ATOM 527 NZ LYS A 33 1.193 12.180 -6.682 1.00 30.06 N ATOM 0 H LYS A 33 2.214 6.222 -9.567 1.00 14.22 H new ATOM 0 HA LYS A 33 2.465 8.861 -10.694 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.597 7.981 -9.235 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.744 7.724 -7.935 1.00 18.62 H new ATOM 0 HG2 LYS A 33 2.276 10.276 -8.170 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.791 10.362 -9.098 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.371 9.200 -7.125 1.00 27.61 H new ATOM 0 HD3 LYS A 33 1.106 9.441 -6.214 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.735 11.592 -7.336 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.405 11.247 -5.650 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.941 13.069 -6.204 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 2.003 11.744 -6.197 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.448 12.379 -7.670 1.00 30.06 H new ATOM 541 N GLU A 34 4.533 8.059 -8.314 1.00 10.11 N ATOM 542 CA GLU A 34 5.628 8.554 -7.540 1.00 10.07 C ATOM 543 C GLU A 34 6.967 8.181 -8.077 1.00 9.32 C ATOM 544 O GLU A 34 7.873 9.012 -8.045 1.00 11.61 O ATOM 545 CB GLU A 34 5.433 8.129 -6.074 1.00 14.77 C ATOM 546 CG GLU A 34 4.258 8.778 -5.340 1.00 18.75 C ATOM 547 CD GLU A 34 4.402 10.293 -5.287 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.371 10.804 -4.664 1.00 25.19 O ATOM 549 OE2 GLU A 34 3.476 10.976 -5.798 1.00 21.95 O ATOM 0 H GLU A 34 4.227 7.126 -8.038 1.00 10.11 H new ATOM 0 HA GLU A 34 5.621 9.642 -7.603 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.302 7.047 -6.044 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.348 8.355 -5.526 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.326 8.517 -5.841 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.197 8.381 -4.327 1.00 18.75 H new ATOM 556 N GLY A 35 7.131 6.928 -8.538 1.00 7.22 N ATOM 557 CA GLY A 35 8.319 6.484 -9.199 1.00 6.29 C ATOM 558 C GLY A 35 9.140 5.547 -8.382 1.00 6.93 C ATOM 559 O GLY A 35 10.361 5.694 -8.349 1.00 7.41 O ATOM 0 H GLY A 35 6.418 6.204 -8.449 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.044 5.994 -10.133 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.925 7.351 -9.461 1.00 6.29 H new ATOM 563 N ILE A 36 8.559 4.587 -7.640 1.00 5.86 N ATOM 564 CA ILE A 36 9.315 3.677 -6.836 1.00 6.07 C ATOM 565 C ILE A 36 9.131 2.330 -7.445 1.00 6.36 C ATOM 566 O ILE A 36 7.994 2.099 -7.854 1.00 6.18 O ATOM 567 CB ILE A 36 8.821 3.772 -5.422 1.00 7.47 C ATOM 568 CG1 ILE A 36 9.316 2.659 -4.484 1.00 8.52 C ATOM 569 CG2 ILE A 36 7.347 4.198 -5.321 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.264 3.080 -3.016 1.00 9.49 C ATOM 0 H ILE A 36 7.551 4.440 -7.597 1.00 5.86 H new ATOM 0 HA ILE A 36 10.382 3.900 -6.805 1.00 6.07 H new ATOM 0 HB ILE A 36 9.335 4.624 -4.977 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.706 1.767 -4.627 1.00 8.52 H new ATOM 0 HG13 ILE A 36 10.339 2.391 -4.748 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.054 4.247 -4.272 1.00 7.36 H new ATOM 0 HG22 ILE A 36 7.219 5.178 -5.780 1.00 7.36 H new ATOM 0 HG23 ILE A 36 6.722 3.471 -5.839 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.623 2.263 -2.390 1.00 9.49 H new ATOM 0 HD12 ILE A 36 9.895 3.956 -2.866 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.237 3.322 -2.743 1.00 9.49 H new ATOM 582 N PRO A 37 10.036 1.409 -7.593 1.00 8.65 N ATOM 583 CA PRO A 37 9.784 0.110 -8.145 1.00 9.18 C ATOM 584 C PRO A 37 8.938 -0.677 -7.204 1.00 9.85 C ATOM 585 O PRO A 37 9.046 -0.412 -6.008 1.00 8.51 O ATOM 586 CB PRO A 37 11.144 -0.580 -8.236 1.00 11.42 C ATOM 587 CG PRO A 37 12.069 0.627 -8.461 1.00 9.27 C ATOM 588 CD PRO A 37 11.457 1.719 -7.569 1.00 8.33 C ATOM 0 HA PRO A 37 9.282 0.184 -9.110 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.392 -1.126 -7.325 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.190 -1.294 -9.058 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.097 0.404 -8.175 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.088 0.928 -9.508 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.860 1.685 -6.557 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.658 2.717 -7.959 1.00 8.33 H new ATOM 596 N PRO A 38 8.128 -1.638 -7.534 1.00 8.71 N ATOM 597 CA PRO A 38 7.342 -2.465 -6.665 1.00 9.08 C ATOM 598 C PRO A 38 8.025 -3.306 -5.642 1.00 9.28 C ATOM 599 O PRO A 38 7.419 -3.482 -4.586 1.00 6.50 O ATOM 600 CB PRO A 38 6.405 -3.252 -7.579 1.00 10.31 C ATOM 601 CG PRO A 38 6.255 -2.461 -8.888 1.00 10.81 C ATOM 602 CD PRO A 38 7.621 -1.757 -8.893 1.00 12.00 C ATOM 0 HA PRO A 38 6.821 -1.798 -5.978 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.809 -4.245 -7.776 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.434 -3.391 -7.103 1.00 10.31 H new ATOM 0 HG2 PRO A 38 6.108 -3.104 -9.756 1.00 10.81 H new ATOM 0 HG3 PRO A 38 5.420 -1.761 -8.865 1.00 10.81 H new ATOM 0 HD2 PRO A 38 8.326 -2.320 -9.504 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.528 -0.768 -9.342 1.00 12.00 H new ATOM 610 N ASP A 39 9.313 -3.657 -5.806 1.00 11.20 N ATOM 611 CA ASP A 39 9.993 -4.600 -4.974 1.00 14.96 C ATOM 612 C ASP A 39 10.303 -3.825 -3.740 1.00 13.99 C ATOM 613 O ASP A 39 10.566 -4.370 -2.669 1.00 13.75 O ATOM 614 CB ASP A 39 11.284 -5.136 -5.616 1.00 24.16 C ATOM 615 CG ASP A 39 10.911 -6.179 -6.659 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.283 -7.210 -6.297 1.00 34.22 O ATOM 617 OD2 ASP A 39 11.254 -6.007 -7.859 1.00 35.55 O ATOM 0 H ASP A 39 9.902 -3.270 -6.544 1.00 11.20 H new ATOM 0 HA ASP A 39 9.384 -5.485 -4.792 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.843 -4.322 -6.078 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.930 -5.575 -4.856 1.00 24.16 H new ATOM 622 N GLN A 40 10.388 -2.488 -3.863 1.00 11.60 N ATOM 623 CA GLN A 40 10.856 -1.645 -2.807 1.00 10.76 C ATOM 624 C GLN A 40 9.798 -1.236 -1.840 1.00 8.01 C ATOM 625 O GLN A 40 10.036 -1.068 -0.645 1.00 8.96 O ATOM 626 CB GLN A 40 11.450 -0.303 -3.269 1.00 11.14 C ATOM 627 CG GLN A 40 12.733 -0.413 -4.095 1.00 14.85 C ATOM 628 CD GLN A 40 13.236 0.961 -4.513 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.878 2.024 -4.008 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.229 1.060 -5.437 1.00 18.16 N ATOM 0 H GLN A 40 10.127 -1.984 -4.710 1.00 11.60 H new ATOM 0 HA GLN A 40 11.610 -2.290 -2.355 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.701 0.225 -3.859 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.653 0.309 -2.390 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.501 -0.923 -3.513 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.548 -1.021 -4.981 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.580 0.222 -5.900 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.623 1.972 -5.667 1.00 18.16 H new ATOM 639 N GLN A 41 8.524 -1.221 -2.270 1.00 6.52 N ATOM 640 CA GLN A 41 7.421 -0.853 -1.438 1.00 3.87 C ATOM 641 C GLN A 41 6.996 -1.863 -0.428 1.00 4.79 C ATOM 642 O GLN A 41 6.646 -2.979 -0.809 1.00 6.34 O ATOM 643 CB GLN A 41 6.251 -0.649 -2.415 1.00 4.20 C ATOM 644 CG GLN A 41 6.614 0.197 -3.637 1.00 3.20 C ATOM 645 CD GLN A 41 5.416 0.664 -4.452 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.302 0.658 -3.932 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.644 0.956 -5.761 1.00 7.13 N ATOM 0 H GLN A 41 8.254 -1.471 -3.221 1.00 6.52 H new ATOM 0 HA GLN A 41 7.719 0.017 -0.853 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.895 -1.623 -2.751 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.426 -0.173 -1.886 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.177 1.070 -3.306 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.275 -0.382 -4.282 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.595 0.943 -6.128 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.863 1.188 -6.375 1.00 7.13 H new ATOM 656 N ARG A 42 7.079 -1.535 0.874 1.00 5.73 N ATOM 657 CA ARG A 42 6.511 -2.231 1.986 1.00 6.97 C ATOM 658 C ARG A 42 5.371 -1.472 2.572 1.00 7.15 C ATOM 659 O ARG A 42 5.495 -0.346 3.051 1.00 7.33 O ATOM 660 CB ARG A 42 7.524 -2.480 3.116 1.00 13.23 C ATOM 661 CG ARG A 42 7.095 -3.265 4.358 1.00 21.27 C ATOM 662 CD ARG A 42 8.316 -3.783 5.120 1.00 26.14 C ATOM 663 NE ARG A 42 8.718 -5.029 4.409 1.00 32.26 N ATOM 664 CZ ARG A 42 9.670 -5.814 4.991 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.668 -5.456 5.852 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.706 -7.125 4.613 1.00 36.39 N ATOM 0 H ARG A 42 7.592 -0.705 1.173 1.00 5.73 H new ATOM 0 HA ARG A 42 6.178 -3.188 1.584 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.377 -3.000 2.680 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.882 -1.507 3.453 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.498 -2.627 5.009 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.462 -4.102 4.064 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.123 -3.050 5.117 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.073 -3.985 6.163 1.00 26.14 H new ATOM 0 HE ARG A 42 8.296 -5.287 3.517 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.769 -4.482 6.139 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.312 -6.162 6.208 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.040 -7.476 3.925 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.399 -7.754 5.019 1.00 36.39 H new ATOM 680 N LEU A 43 4.166 -2.038 2.378 1.00 4.65 N ATOM 681 CA LEU A 43 3.000 -1.486 2.996 1.00 3.51 C ATOM 682 C LEU A 43 2.590 -1.978 4.341 1.00 5.56 C ATOM 683 O LEU A 43 2.435 -3.174 4.581 1.00 4.19 O ATOM 684 CB LEU A 43 1.793 -1.522 2.044 1.00 3.74 C ATOM 685 CG LEU A 43 1.945 -0.626 0.803 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.908 -0.968 -0.280 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.782 0.843 1.231 1.00 9.55 C ATOM 0 H LEU A 43 4.000 -2.864 1.803 1.00 4.65 H new ATOM 0 HA LEU A 43 3.337 -0.470 3.200 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.631 -2.550 1.719 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.902 -1.217 2.593 1.00 3.74 H new ATOM 0 HG LEU A 43 2.933 -0.794 0.375 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.050 -0.313 -1.139 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.034 -2.005 -0.590 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.096 -0.829 0.121 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.888 1.490 0.360 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.795 0.986 1.672 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.547 1.095 1.965 1.00 9.55 H new ATOM 699 N ILE A 44 2.235 -1.015 5.211 1.00 4.58 N ATOM 700 CA ILE A 44 1.734 -1.256 6.529 1.00 5.55 C ATOM 701 C ILE A 44 0.379 -0.658 6.693 1.00 5.46 C ATOM 702 O ILE A 44 0.091 0.495 6.376 1.00 6.04 O ATOM 703 CB ILE A 44 2.721 -0.734 7.530 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.187 -1.033 7.173 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.347 -1.131 8.968 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.524 -2.518 7.048 1.00 13.90 C ATOM 0 H ILE A 44 2.300 -0.023 4.985 1.00 4.58 H new ATOM 0 HA ILE A 44 1.618 -2.327 6.697 1.00 5.55 H new ATOM 0 HB ILE A 44 2.651 0.353 7.482 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.425 -0.540 6.230 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.829 -0.592 7.935 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.089 -0.732 9.660 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.366 -0.725 9.214 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.321 -2.218 9.050 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.578 -2.632 6.794 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.323 -3.018 7.996 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.912 -2.965 6.265 1.00 13.90 H new ATOM 718 N PHE A 45 -0.548 -1.394 7.332 1.00 6.75 N ATOM 719 CA PHE A 45 -1.767 -0.850 7.845 1.00 4.70 C ATOM 720 C PHE A 45 -1.706 -1.047 9.321 1.00 6.34 C ATOM 721 O PHE A 45 -1.513 -2.190 9.734 1.00 5.45 O ATOM 722 CB PHE A 45 -2.990 -1.462 7.143 1.00 5.51 C ATOM 723 CG PHE A 45 -4.306 -1.161 7.775 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.943 0.027 7.507 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.878 -2.048 8.656 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.124 0.359 8.127 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.044 -1.676 9.283 1.00 6.64 C ATOM 728 CZ PHE A 45 -6.718 -0.508 9.013 1.00 6.84 C ATOM 0 H PHE A 45 -0.447 -2.396 7.496 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.881 0.215 7.640 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.011 -1.108 6.112 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.863 -2.544 7.106 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.507 0.713 6.796 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.425 -3.009 8.850 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.590 1.310 7.916 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.454 -2.339 10.030 1.00 6.64 H new ATOM 0 HZ PHE A 45 -7.668 -0.283 9.475 1.00 6.84 H new ATOM 738 N ALA A 46 -1.956 -0.020 10.152 1.00 6.53 N ATOM 739 CA ALA A 46 -1.841 -0.096 11.576 1.00 7.15 C ATOM 740 C ALA A 46 -0.583 -0.702 12.096 1.00 9.00 C ATOM 741 O ALA A 46 0.422 -0.025 12.304 1.00 11.15 O ATOM 742 CB ALA A 46 -3.144 -0.605 12.215 1.00 8.99 C ATOM 0 H ALA A 46 -2.249 0.899 9.820 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.716 0.930 11.922 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.024 -0.652 13.297 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.960 0.075 11.969 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.373 -1.600 11.832 1.00 8.99 H new ATOM 748 N GLY A 47 -0.551 -2.012 12.401 1.00 9.35 N ATOM 749 CA GLY A 47 0.708 -2.662 12.594 1.00 11.68 C ATOM 750 C GLY A 47 0.917 -3.864 11.738 1.00 11.14 C ATOM 751 O GLY A 47 1.908 -4.573 11.901 1.00 13.93 O ATOM 0 H GLY A 47 -1.372 -2.607 12.512 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.507 -1.947 12.397 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.795 -2.956 13.640 1.00 11.68 H new ATOM 755 N LYS A 48 0.139 -4.113 10.669 1.00 10.47 N ATOM 756 CA LYS A 48 0.173 -5.280 9.843 1.00 8.82 C ATOM 757 C LYS A 48 0.868 -4.949 8.568 1.00 7.68 C ATOM 758 O LYS A 48 0.585 -3.924 7.949 1.00 6.47 O ATOM 759 CB LYS A 48 -1.200 -5.797 9.382 1.00 9.74 C ATOM 760 CG LYS A 48 -2.195 -5.959 10.532 1.00 14.14 C ATOM 761 CD LYS A 48 -3.315 -6.900 10.082 1.00 16.32 C ATOM 762 CE LYS A 48 -4.280 -7.365 11.175 1.00 20.04 C ATOM 763 NZ LYS A 48 -5.259 -6.347 11.615 1.00 23.92 N ATOM 0 H LYS A 48 -0.568 -3.446 10.360 1.00 10.47 H new ATOM 0 HA LYS A 48 0.656 -6.034 10.464 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.613 -5.107 8.646 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.071 -6.757 8.882 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.693 -6.362 11.412 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -2.606 -4.990 10.815 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -3.892 -6.400 9.304 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.862 -7.780 9.626 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -4.823 -8.238 10.813 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -3.699 -7.687 12.039 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -5.869 -6.749 12.355 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.754 -5.521 11.994 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -5.843 -6.054 10.806 1.00 23.92 H new ATOM 777 N GLN A 49 1.717 -5.897 8.131 1.00 8.89 N ATOM 778 CA GLN A 49 2.417 -5.929 6.884 1.00 7.18 C ATOM 779 C GLN A 49 1.661 -6.645 5.819 1.00 8.23 C ATOM 780 O GLN A 49 1.522 -7.860 5.952 1.00 9.70 O ATOM 781 CB GLN A 49 3.733 -6.709 7.041 1.00 11.67 C ATOM 782 CG GLN A 49 4.513 -6.964 5.749 1.00 15.82 C ATOM 783 CD GLN A 49 5.829 -7.656 6.074 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.821 -6.966 6.301 1.00 23.23 O ATOM 785 NE2 GLN A 49 5.787 -9.009 6.213 1.00 20.67 N ATOM 0 H GLN A 49 1.931 -6.713 8.704 1.00 8.89 H new ATOM 0 HA GLN A 49 2.569 -4.887 6.605 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.377 -6.163 7.731 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.511 -7.670 7.505 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.923 -7.582 5.072 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.703 -6.022 5.235 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.927 -9.516 6.006 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.616 -9.516 6.524 1.00 20.67 H new ATOM 794 N LEU A 50 1.225 -5.939 4.760 1.00 6.51 N ATOM 795 CA LEU A 50 0.343 -6.498 3.782 1.00 7.41 C ATOM 796 C LEU A 50 1.057 -7.440 2.875 1.00 8.27 C ATOM 797 O LEU A 50 2.070 -7.068 2.284 1.00 8.34 O ATOM 798 CB LEU A 50 -0.249 -5.321 2.988 1.00 7.13 C ATOM 799 CG LEU A 50 -0.895 -4.273 3.910 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.815 -3.408 3.032 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.716 -4.909 5.045 1.00 8.14 C ATOM 0 H LEU A 50 1.487 -4.970 4.580 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.442 -7.076 4.269 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.537 -4.850 2.398 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.994 -5.695 2.286 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.110 -3.686 4.387 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.296 -2.648 3.648 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.225 -2.924 2.253 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.577 -4.038 2.572 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.149 -4.124 5.665 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.514 -5.518 4.620 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.067 -5.537 5.656 1.00 8.14 H new ATOM 813 N GLU A 51 0.510 -8.656 2.698 1.00 9.43 N ATOM 814 CA GLU A 51 0.924 -9.668 1.777 1.00 11.90 C ATOM 815 C GLU A 51 0.660 -9.450 0.326 1.00 11.49 C ATOM 816 O GLU A 51 -0.431 -9.031 -0.058 1.00 9.88 O ATOM 817 CB GLU A 51 0.396 -10.982 2.377 1.00 16.56 C ATOM 818 CG GLU A 51 0.984 -12.200 1.661 1.00 26.06 C ATOM 819 CD GLU A 51 0.568 -13.436 2.445 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.982 -13.632 3.619 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.308 -14.161 1.902 1.00 32.13 O ATOM 0 H GLU A 51 -0.294 -8.955 3.250 1.00 9.43 H new ATOM 0 HA GLU A 51 2.011 -9.668 1.695 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.646 -11.026 3.437 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.691 -11.006 2.305 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.619 -12.255 0.636 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.070 -12.127 1.609 1.00 26.06 H new ATOM 828 N ASP A 52 1.575 -9.875 -0.563 1.00 12.71 N ATOM 829 CA ASP A 52 1.670 -9.616 -1.966 1.00 16.56 C ATOM 830 C ASP A 52 0.424 -9.950 -2.713 1.00 15.83 C ATOM 831 O ASP A 52 -0.105 -9.118 -3.448 1.00 17.21 O ATOM 832 CB ASP A 52 2.963 -10.173 -2.584 1.00 21.05 C ATOM 833 CG ASP A 52 4.182 -9.392 -2.115 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.078 -8.142 -2.241 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.198 -9.953 -1.624 1.00 28.37 O ATOM 0 H ASP A 52 2.341 -10.474 -0.256 1.00 12.71 H new ATOM 0 HA ASP A 52 1.756 -8.535 -2.076 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.075 -11.223 -2.313 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.897 -10.130 -3.671 1.00 21.05 H new ATOM 840 N GLY A 53 -0.050 -11.199 -2.565 1.00 15.00 N ATOM 841 CA GLY A 53 -1.139 -11.707 -3.341 1.00 11.77 C ATOM 842 C GLY A 53 -2.476 -11.714 -2.685 1.00 11.10 C ATOM 843 O GLY A 53 -3.353 -12.380 -3.234 1.00 11.25 O ATOM 0 H GLY A 53 0.329 -11.868 -1.895 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.211 -11.118 -4.255 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.899 -12.728 -3.638 1.00 11.77 H new ATOM 847 N ARG A 54 -2.705 -10.938 -1.610 1.00 8.53 N ATOM 848 CA ARG A 54 -4.018 -10.736 -1.080 1.00 9.05 C ATOM 849 C ARG A 54 -4.673 -9.522 -1.645 1.00 8.96 C ATOM 850 O ARG A 54 -4.033 -8.729 -2.333 1.00 11.60 O ATOM 851 CB ARG A 54 -3.989 -10.767 0.457 1.00 7.97 C ATOM 852 CG ARG A 54 -3.220 -11.981 0.983 1.00 9.62 C ATOM 853 CD ARG A 54 -3.491 -12.167 2.477 1.00 12.20 C ATOM 854 NE ARG A 54 -2.473 -13.104 3.031 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.484 -13.669 4.273 1.00 22.08 C ATOM 856 NH1 ARG A 54 -3.395 -13.365 5.243 1.00 23.38 N ATOM 857 NH2 ARG A 54 -1.467 -14.468 4.709 1.00 25.50 N ATOM 0 H ARG A 54 -1.970 -10.445 -1.103 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.650 -11.565 -1.398 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.527 -9.853 0.831 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -5.009 -10.788 0.840 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.519 -12.876 0.437 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.152 -11.846 0.813 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.443 -11.208 2.993 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.494 -12.563 2.633 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.692 -13.347 2.422 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.125 -12.677 5.059 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -3.346 -13.826 6.152 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -0.670 -14.657 4.101 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -1.504 -14.876 5.643 1.00 25.50 H new ATOM 871 N THR A 55 -5.985 -9.395 -1.377 1.00 9.05 N ATOM 872 CA THR A 55 -6.757 -8.223 -1.652 1.00 9.03 C ATOM 873 C THR A 55 -6.997 -7.363 -0.460 1.00 8.15 C ATOM 874 O THR A 55 -6.879 -7.789 0.688 1.00 5.91 O ATOM 875 CB THR A 55 -8.066 -8.467 -2.342 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.082 -8.945 -1.474 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.935 -9.645 -3.322 1.00 11.71 C ATOM 0 H THR A 55 -6.532 -10.143 -0.950 1.00 9.05 H new ATOM 0 HA THR A 55 -6.109 -7.692 -2.350 1.00 9.03 H new ATOM 0 HB THR A 55 -8.314 -7.504 -2.787 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.769 -9.754 -1.018 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.891 -9.814 -3.818 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.175 -9.415 -4.068 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.646 -10.543 -2.775 1.00 11.71 H new ATOM 885 N LEU A 56 -7.456 -6.118 -0.682 1.00 6.91 N ATOM 886 CA LEU A 56 -7.654 -5.205 0.400 1.00 8.29 C ATOM 887 C LEU A 56 -8.822 -5.568 1.251 1.00 8.05 C ATOM 888 O LEU A 56 -8.669 -5.337 2.450 1.00 10.17 O ATOM 889 CB LEU A 56 -7.897 -3.790 -0.153 1.00 6.60 C ATOM 890 CG LEU A 56 -6.761 -2.970 -0.786 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.236 -1.630 -1.373 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.527 -2.759 0.108 1.00 9.85 C ATOM 0 H LEU A 56 -7.688 -5.746 -1.603 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.753 -5.247 1.012 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.684 -3.873 -0.903 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.300 -3.194 0.666 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.431 -3.608 -1.606 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.387 -1.100 -1.804 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.979 -1.815 -2.148 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.679 -1.023 -0.583 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.784 -2.170 -0.430 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -5.821 -2.231 1.015 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.100 -3.726 0.373 1.00 9.85 H new ATOM 904 N SER A 57 -9.819 -6.291 0.710 1.00 8.92 N ATOM 905 CA SER A 57 -10.998 -6.825 1.318 1.00 9.00 C ATOM 906 C SER A 57 -10.659 -7.941 2.244 1.00 9.44 C ATOM 907 O SER A 57 -11.302 -8.000 3.291 1.00 10.91 O ATOM 908 CB SER A 57 -12.145 -7.265 0.392 1.00 10.32 C ATOM 909 OG SER A 57 -13.380 -7.452 1.067 1.00 13.59 O ATOM 0 H SER A 57 -9.790 -6.529 -0.281 1.00 8.92 H new ATOM 0 HA SER A 57 -11.398 -5.960 1.847 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.277 -6.517 -0.390 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.866 -8.196 -0.102 1.00 10.32 H new ATOM 0 HG SER A 57 -14.066 -7.729 0.424 1.00 13.59 H new ATOM 915 N ASP A 58 -9.601 -8.739 2.014 1.00 9.11 N ATOM 916 CA ASP A 58 -9.167 -9.775 2.900 1.00 7.91 C ATOM 917 C ASP A 58 -8.629 -9.212 4.170 1.00 9.12 C ATOM 918 O ASP A 58 -8.771 -9.770 5.257 1.00 8.61 O ATOM 919 CB ASP A 58 -8.102 -10.627 2.190 1.00 8.41 C ATOM 920 CG ASP A 58 -8.545 -11.174 0.841 1.00 11.50 C ATOM 921 OD1 ASP A 58 -9.596 -11.862 0.738 1.00 11.70 O ATOM 922 OD2 ASP A 58 -7.833 -10.978 -0.180 1.00 10.05 O ATOM 0 H ASP A 58 -9.024 -8.659 1.177 1.00 9.11 H new ATOM 0 HA ASP A 58 -10.022 -10.399 3.160 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.204 -10.025 2.049 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.828 -11.461 2.836 1.00 8.41 H new ATOM 927 N TYR A 59 -7.965 -8.046 4.266 1.00 7.97 N ATOM 928 CA TYR A 59 -7.645 -7.287 5.435 1.00 8.45 C ATOM 929 C TYR A 59 -8.651 -6.259 5.823 1.00 10.98 C ATOM 930 O TYR A 59 -8.438 -5.420 6.698 1.00 12.95 O ATOM 931 CB TYR A 59 -6.309 -6.527 5.392 1.00 7.94 C ATOM 932 CG TYR A 59 -5.087 -7.349 5.163 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.528 -8.099 6.171 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.411 -7.351 3.966 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.371 -8.821 6.000 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.235 -8.025 3.735 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.767 -8.806 4.765 1.00 6.76 C ATOM 938 OH TYR A 59 -1.521 -9.422 4.521 1.00 7.63 O ATOM 0 H TYR A 59 -7.614 -7.586 3.426 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.608 -8.099 6.162 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.368 -5.776 4.604 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.190 -5.992 6.334 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.017 -8.122 7.134 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.833 -6.783 3.150 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.946 -9.387 6.816 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.708 -7.945 2.796 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.664 -10.293 4.095 1.00 7.63 H new ATOM 948 N ASN A 60 -9.888 -6.227 5.297 1.00 12.38 N ATOM 949 CA ASN A 60 -10.950 -5.313 5.585 1.00 13.94 C ATOM 950 C ASN A 60 -10.617 -3.879 5.354 1.00 14.16 C ATOM 951 O ASN A 60 -11.118 -2.986 6.037 1.00 14.26 O ATOM 952 CB ASN A 60 -11.563 -5.664 6.951 1.00 19.23 C ATOM 953 CG ASN A 60 -11.927 -7.142 6.933 1.00 22.65 C ATOM 954 OD1 ASN A 60 -11.122 -7.957 7.382 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.061 -7.454 6.251 1.00 24.09 N ATOM 0 H ASN A 60 -10.171 -6.914 4.598 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.739 -5.445 4.845 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.854 -5.455 7.752 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.447 -5.055 7.140 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.299 -8.430 6.077 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.674 -6.712 5.913 1.00 24.09 H new ATOM 962 N ILE A 61 -9.695 -3.509 4.447 1.00 11.08 N ATOM 963 CA ILE A 61 -9.281 -2.148 4.305 1.00 11.78 C ATOM 964 C ILE A 61 -10.303 -1.464 3.464 1.00 13.74 C ATOM 965 O ILE A 61 -10.627 -1.900 2.361 1.00 14.60 O ATOM 966 CB ILE A 61 -7.906 -2.163 3.707 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.973 -2.741 4.784 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.623 -0.747 3.179 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.587 -3.018 4.202 1.00 11.42 C ATOM 0 H ILE A 61 -9.234 -4.157 3.808 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.217 -1.601 5.245 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.761 -2.802 2.836 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.891 -2.041 5.616 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.397 -3.662 5.183 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.628 -0.716 2.735 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.365 -0.485 2.425 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.675 -0.035 4.002 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.941 -3.427 4.979 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.672 -3.736 3.386 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.158 -2.089 3.825 1.00 11.42 H new ATOM 981 N GLN A 62 -10.905 -0.398 4.020 1.00 13.97 N ATOM 982 CA GLN A 62 -12.047 0.321 3.545 1.00 15.52 C ATOM 983 C GLN A 62 -11.595 1.662 3.079 1.00 13.94 C ATOM 984 O GLN A 62 -10.406 1.979 3.106 1.00 12.15 O ATOM 985 CB GLN A 62 -13.137 0.519 4.612 1.00 19.53 C ATOM 986 CG GLN A 62 -13.600 -0.818 5.194 1.00 26.38 C ATOM 987 CD GLN A 62 -14.817 -0.647 6.092 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.712 -0.431 7.298 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.996 -0.859 5.448 1.00 32.71 N ATOM 0 H GLN A 62 -10.554 -0.001 4.892 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.489 -0.271 2.743 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.754 1.152 5.412 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.988 1.040 4.173 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.840 -1.505 4.383 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.787 -1.268 5.764 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.004 -1.032 4.443 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.872 -0.845 5.970 1.00 32.71 H new ATOM 998 N LYS A 63 -12.557 2.458 2.581 1.00 11.73 N ATOM 999 CA LYS A 63 -12.398 3.831 2.214 1.00 11.97 C ATOM 1000 C LYS A 63 -11.719 4.592 3.300 1.00 10.41 C ATOM 1001 O LYS A 63 -11.842 4.314 4.492 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.697 4.532 1.781 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.569 4.710 3.025 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.856 5.454 2.664 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.714 5.640 3.917 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.276 6.831 4.679 1.00 25.97 N ATOM 0 H LYS A 63 -13.507 2.121 2.425 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.767 3.823 1.325 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.477 5.498 1.327 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.219 3.939 1.030 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.810 3.736 3.452 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.021 5.265 3.786 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.617 6.424 2.228 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.411 4.895 1.911 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.761 5.748 3.634 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.644 4.753 4.547 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -15.855 6.530 5.581 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -15.570 7.357 4.125 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.095 7.444 4.866 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.908 5.560 2.836 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.396 6.611 3.660 1.00 10.94 C ATOM 1022 C GLU A 64 -9.425 6.180 4.704 1.00 9.74 C ATOM 1023 O GLU A 64 -9.338 6.697 5.817 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.545 7.513 4.140 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.151 8.196 2.912 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.360 9.076 3.196 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.385 8.528 3.682 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -13.331 10.272 2.799 1.00 31.72 O ATOM 0 H GLU A 64 -10.601 5.613 1.865 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.752 7.233 3.039 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.300 6.924 4.661 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.177 8.256 4.847 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.382 8.804 2.437 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.440 7.429 2.194 1.00 24.16 H new ATOM 1035 N SER A 65 -8.689 5.106 4.364 1.00 6.85 N ATOM 1036 CA SER A 65 -7.785 4.498 5.290 1.00 6.90 C ATOM 1037 C SER A 65 -6.375 4.781 4.899 1.00 4.72 C ATOM 1038 O SER A 65 -5.962 4.766 3.741 1.00 3.91 O ATOM 1039 CB SER A 65 -7.951 2.977 5.138 1.00 7.28 C ATOM 1040 OG SER A 65 -9.275 2.590 5.474 1.00 10.56 O ATOM 0 H SER A 65 -8.720 4.659 3.448 1.00 6.85 H new ATOM 0 HA SER A 65 -7.990 4.870 6.294 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.727 2.680 4.113 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.239 2.460 5.782 1.00 7.28 H new ATOM 0 HG SER A 65 -9.743 2.289 4.667 1.00 10.56 H new ATOM 1046 N THR A 66 -5.578 5.013 5.958 1.00 4.48 N ATOM 1047 CA THR A 66 -4.208 5.414 5.870 1.00 3.80 C ATOM 1048 C THR A 66 -3.390 4.170 5.820 1.00 4.60 C ATOM 1049 O THR A 66 -3.213 3.528 6.854 1.00 5.33 O ATOM 1050 CB THR A 66 -3.868 6.270 7.054 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.799 7.342 7.050 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.451 6.843 6.887 1.00 3.40 C ATOM 0 H THR A 66 -5.904 4.916 6.920 1.00 4.48 H new ATOM 0 HA THR A 66 -4.009 6.008 4.978 1.00 3.80 H new ATOM 0 HB THR A 66 -3.908 5.697 7.980 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.620 7.934 7.810 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.206 7.465 7.748 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.734 6.025 6.814 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.407 7.446 5.980 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.811 3.748 4.681 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.697 2.874 4.482 1.00 3.85 C ATOM 1062 C LEU A 67 -0.446 3.642 4.739 1.00 3.80 C ATOM 1063 O LEU A 67 -0.319 4.813 4.387 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.700 2.347 3.037 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.718 1.234 2.738 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.113 1.808 2.441 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.217 0.215 1.701 1.00 8.12 C ATOM 0 H LEU A 67 -3.177 4.065 3.783 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.760 2.025 5.162 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.894 3.183 2.365 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.703 1.975 2.803 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.827 0.646 3.649 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.806 0.992 2.234 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.465 2.373 3.304 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -4.059 2.466 1.574 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.983 -0.543 1.536 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.004 0.726 0.762 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.308 -0.262 2.069 1.00 8.12 H new ATOM 1079 N HIS A 68 0.608 2.974 5.241 1.00 2.94 N ATOM 1080 CA HIS A 68 1.914 3.545 5.352 1.00 4.17 C ATOM 1081 C HIS A 68 2.870 2.818 4.471 1.00 5.32 C ATOM 1082 O HIS A 68 2.884 1.588 4.473 1.00 7.70 O ATOM 1083 CB HIS A 68 2.380 3.506 6.817 1.00 5.57 C ATOM 1084 CG HIS A 68 1.749 4.625 7.590 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.557 4.590 8.285 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.341 5.788 7.974 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.528 5.736 9.017 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.559 6.538 8.828 1.00 16.30 N ATOM 0 H HIS A 68 0.551 2.013 5.578 1.00 2.94 H new ATOM 0 HA HIS A 68 1.878 4.585 5.029 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.114 2.549 7.266 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.466 3.589 6.863 1.00 5.57 H new ATOM 0 HD2 HIS A 68 3.323 6.093 7.644 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.276 5.971 9.699 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.732 7.467 9.212 1.00 16.30 H new ATOM 1096 N LEU A 69 3.685 3.597 3.737 1.00 5.29 N ATOM 1097 CA LEU A 69 4.608 3.074 2.779 1.00 3.97 C ATOM 1098 C LEU A 69 5.996 3.178 3.311 1.00 5.07 C ATOM 1099 O LEU A 69 6.456 4.291 3.565 1.00 4.34 O ATOM 1100 CB LEU A 69 4.540 3.802 1.426 1.00 6.08 C ATOM 1101 CG LEU A 69 5.552 3.376 0.348 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.399 1.928 -0.147 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.514 4.267 -0.904 1.00 6.87 C ATOM 0 H LEU A 69 3.703 4.614 3.811 1.00 5.29 H new ATOM 0 HA LEU A 69 4.331 2.033 2.610 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.537 3.668 1.020 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.670 4.869 1.609 1.00 6.08 H new ATOM 0 HG LEU A 69 6.500 3.479 0.876 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.155 1.721 -0.904 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.526 1.242 0.690 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.407 1.794 -0.578 1.00 9.96 H new ATOM 0 HD21 LEU A 69 6.251 3.913 -1.625 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.521 4.225 -1.350 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.743 5.296 -0.626 1.00 6.87 H new ATOM 1115 N VAL A 70 6.757 2.095 3.550 1.00 4.29 N ATOM 1116 CA VAL A 70 8.122 2.098 3.976 1.00 6.26 C ATOM 1117 C VAL A 70 8.800 1.220 2.981 1.00 9.22 C ATOM 1118 O VAL A 70 8.241 0.717 2.008 1.00 9.36 O ATOM 1119 CB VAL A 70 8.360 1.739 5.413 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.621 2.631 6.425 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.985 0.277 5.709 1.00 8.54 C ATOM 0 H VAL A 70 6.391 1.150 3.437 1.00 4.29 H new ATOM 0 HA VAL A 70 8.536 3.106 3.985 1.00 6.26 H new ATOM 0 HB VAL A 70 9.430 1.898 5.543 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.851 2.300 7.438 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.941 3.665 6.300 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.547 2.561 6.255 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.173 0.059 6.760 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.929 0.121 5.489 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.587 -0.386 5.088 1.00 8.54 H new ATOM 1131 N LEU A 71 10.089 0.933 3.235 1.00 12.71 N ATOM 1132 CA LEU A 71 10.953 0.222 2.345 1.00 16.06 C ATOM 1133 C LEU A 71 11.073 -1.199 2.778 1.00 18.09 C ATOM 1134 O LEU A 71 11.200 -1.546 3.951 1.00 19.26 O ATOM 1135 CB LEU A 71 12.363 0.834 2.300 1.00 17.10 C ATOM 1136 CG LEU A 71 12.571 2.244 1.722 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.898 2.827 2.236 1.00 19.57 C ATOM 1138 CD2 LEU A 71 12.586 2.190 0.185 1.00 17.51 C ATOM 0 H LEU A 71 10.550 1.210 4.102 1.00 12.71 H new ATOM 0 HA LEU A 71 10.511 0.287 1.351 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.746 0.842 3.321 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.994 0.153 1.729 1.00 17.10 H new ATOM 0 HG LEU A 71 11.749 2.883 2.045 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.041 3.826 1.824 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.873 2.884 3.324 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.722 2.185 1.925 1.00 19.57 H new ATOM 0 HD21 LEU A 71 12.734 3.194 -0.213 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.398 1.544 -0.148 1.00 17.51 H new ATOM 0 HD23 LEU A 71 11.636 1.794 -0.174 1.00 17.51 H new ATOM 1150 N ARG A 72 11.035 -2.070 1.754 1.00 21.47 N ATOM 1151 CA ARG A 72 11.161 -3.487 1.896 1.00 25.83 C ATOM 1152 C ARG A 72 12.537 -4.057 1.857 1.00 27.74 C ATOM 1153 O ARG A 72 13.354 -3.643 1.036 1.00 30.65 O ATOM 1154 CB ARG A 72 10.291 -4.060 0.764 1.00 28.49 C ATOM 1155 CG ARG A 72 10.071 -5.574 0.783 1.00 31.79 C ATOM 1156 CD ARG A 72 8.984 -6.050 -0.183 1.00 34.05 C ATOM 1157 NE ARG A 72 8.794 -7.524 -0.077 1.00 35.08 N ATOM 1158 CZ ARG A 72 7.692 -8.204 -0.507 1.00 34.67 C ATOM 1159 NH1 ARG A 72 6.767 -7.670 -1.358 1.00 35.02 N ATOM 1160 NH2 ARG A 72 7.450 -9.424 0.055 1.00 34.97 N ATOM 0 H ARG A 72 10.911 -1.774 0.786 1.00 21.47 H new ATOM 0 HA ARG A 72 10.846 -3.763 2.902 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.317 -3.572 0.799 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.748 -3.792 -0.189 1.00 28.49 H new ATOM 0 HG2 ARG A 72 11.008 -6.072 0.535 1.00 31.79 H new ATOM 0 HG3 ARG A 72 9.805 -5.881 1.795 1.00 31.79 H new ATOM 0 HD2 ARG A 72 8.046 -5.541 0.038 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.257 -5.786 -1.205 1.00 34.05 H new ATOM 0 HE ARG A 72 9.545 -8.066 0.350 1.00 35.08 H new ATOM 0 HH11 ARG A 72 6.882 -6.717 -1.704 1.00 35.02 H new ATOM 0 HH12 ARG A 72 5.961 -8.224 -1.648 1.00 35.02 H new ATOM 0 HH21 ARG A 72 8.082 -9.792 0.766 1.00 34.97 H new ATOM 0 HH22 ARG A 72 6.637 -9.968 -0.236 1.00 34.97 H new ATOM 1174 N LEU A 73 12.888 -4.983 2.767 1.00 28.93 N ATOM 1175 CA LEU A 73 14.107 -5.727 2.855 1.00 30.76 C ATOM 1176 C LEU A 73 13.966 -6.995 2.084 1.00 32.18 C ATOM 1177 O LEU A 73 12.872 -7.556 2.075 1.00 32.31 O ATOM 1178 CB LEU A 73 14.440 -5.986 4.334 1.00 30.53 C ATOM 1179 CG LEU A 73 14.356 -4.941 5.459 1.00 30.16 C ATOM 1180 CD1 LEU A 73 14.558 -5.598 6.835 1.00 29.11 C ATOM 1181 CD2 LEU A 73 15.313 -3.754 5.254 1.00 29.57 C ATOM 0 H LEU A 73 12.248 -5.235 3.520 1.00 28.93 H new ATOM 0 HA LEU A 73 14.933 -5.163 2.422 1.00 30.76 H new ATOM 0 HB2 LEU A 73 13.798 -6.810 4.644 1.00 30.53 H new ATOM 0 HB3 LEU A 73 15.465 -6.358 4.348 1.00 30.53 H new ATOM 0 HG LEU A 73 13.350 -4.524 5.422 1.00 30.16 H new ATOM 0 HD11 LEU A 73 14.494 -4.838 7.614 1.00 29.11 H new ATOM 0 HD12 LEU A 73 13.785 -6.349 6.997 1.00 29.11 H new ATOM 0 HD13 LEU A 73 15.538 -6.073 6.871 1.00 29.11 H new ATOM 0 HD21 LEU A 73 15.205 -3.053 6.081 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.340 -4.117 5.217 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.073 -3.250 4.318 1.00 29.57 H new ATOM 1193 N ARG A 74 15.082 -7.582 1.617 1.00 33.82 N ATOM 1194 CA ARG A 74 15.144 -8.986 1.355 1.00 35.33 C ATOM 1195 C ARG A 74 15.289 -9.724 2.642 1.00 36.22 C ATOM 1196 O ARG A 74 16.042 -9.284 3.510 1.00 36.70 O ATOM 1197 CB ARG A 74 16.305 -9.186 0.366 1.00 36.91 C ATOM 1198 CG ARG A 74 16.228 -10.505 -0.405 1.00 38.62 C ATOM 1199 CD ARG A 74 17.223 -10.677 -1.555 1.00 39.75 C ATOM 1200 NE ARG A 74 17.279 -9.523 -2.497 1.00 41.13 N ATOM 1201 CZ ARG A 74 16.446 -9.292 -3.553 1.00 41.91 C ATOM 1202 NH1 ARG A 74 15.396 -10.131 -3.790 1.00 42.75 N ATOM 1203 NH2 ARG A 74 16.569 -8.108 -4.221 1.00 41.93 N ATOM 0 H ARG A 74 15.948 -7.080 1.420 1.00 33.82 H new ATOM 0 HA ARG A 74 14.237 -9.386 0.902 1.00 35.33 H new ATOM 0 HB2 ARG A 74 16.314 -8.359 -0.344 1.00 36.91 H new ATOM 0 HB3 ARG A 74 17.248 -9.148 0.912 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.376 -11.323 0.300 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.220 -10.608 -0.806 1.00 38.62 H new ATOM 0 HD2 ARG A 74 18.217 -10.839 -1.138 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.962 -11.575 -2.115 1.00 39.75 H new ATOM 0 HE ARG A 74 18.015 -8.836 -2.336 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.234 -10.931 -3.178 1.00 42.75 H new ATOM 0 HH12 ARG A 74 14.773 -9.958 -4.579 1.00 42.75 H new ATOM 0 HH21 ARG A 74 17.268 -7.427 -3.926 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.961 -7.905 -5.015 1.00 41.93 H new ATOM 1217 N GLY A 75 14.701 -10.912 2.869 1.00 36.31 N ATOM 1218 CA GLY A 75 14.639 -11.720 4.047 1.00 36.07 C ATOM 1219 C GLY A 75 13.578 -11.373 5.034 1.00 36.16 C ATOM 1220 O GLY A 75 12.645 -12.124 5.318 1.00 36.26 O ATOM 0 H GLY A 75 14.196 -11.368 2.109 1.00 36.31 H new ATOM 0 HA2 GLY A 75 14.496 -12.757 3.743 1.00 36.07 H new ATOM 0 HA3 GLY A 75 15.604 -11.665 4.550 1.00 36.07 H new ATOM 1224 N GLY A 76 13.777 -10.188 5.637 1.00 36.05 N ATOM 1225 CA GLY A 76 13.052 -9.795 6.805 1.00 36.19 C ATOM 1226 C GLY A 76 11.849 -8.920 6.484 1.00 36.20 C ATOM 1227 O GLY A 76 10.871 -9.433 5.877 1.00 36.13 O ATOM 1228 OXT GLY A 76 11.856 -7.719 6.863 1.00 36.27 O ATOM 0 H GLY A 76 14.449 -9.494 5.310 1.00 36.05 H new ATOM 0 HA2 GLY A 76 12.717 -10.686 7.336 1.00 36.19 H new ATOM 0 HA3 GLY A 76 13.719 -9.256 7.477 1.00 36.19 H new TER 1232 GLY A 76