USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 421 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 52 THR OG1 : rot -52:sc= -0.397 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.147 USER MOD Set 2.1: A 57 THR OG1 : rot 90:sc= 0.0214 USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -129:sc=-0.00818 (180deg=-1.49!) USER MOD Single : A 16 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00247) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0198) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc=-0.000382 (180deg=-0.369) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 53 TYR OH : rot 120:sc= -0.0891 USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00821 (180deg=-0.143) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -9.123 -19.452 1.493 1.00 25.22 N ATOM 2 CA MET A 9 -9.995 -19.983 2.533 1.00 55.22 C ATOM 3 C MET A 9 -10.524 -18.863 3.423 1.00 2.22 C ATOM 4 O MET A 9 -9.794 -17.934 3.770 1.00 44.42 O ATOM 5 CB MET A 9 -9.246 -21.013 3.380 1.00 70.33 C ATOM 6 CG MET A 9 -8.863 -22.268 2.614 1.00 65.01 C ATOM 7 SD MET A 9 -7.564 -23.213 3.433 1.00 62.51 S ATOM 8 CE MET A 9 -6.640 -23.813 2.019 1.00 44.12 C ATOM 0 HA MET A 9 -10.842 -20.469 2.049 1.00 55.22 H new ATOM 0 HB2 MET A 9 -8.343 -20.553 3.782 1.00 70.33 H new ATOM 0 HB3 MET A 9 -9.867 -21.292 4.231 1.00 70.33 H new ATOM 0 HG2 MET A 9 -9.744 -22.898 2.493 1.00 65.01 H new ATOM 0 HG3 MET A 9 -8.530 -21.991 1.614 1.00 65.01 H new ATOM 0 HE1 MET A 9 -5.800 -24.417 2.363 1.00 44.12 H new ATOM 0 HE2 MET A 9 -7.291 -24.421 1.390 1.00 44.12 H new ATOM 0 HE3 MET A 9 -6.266 -22.967 1.443 1.00 44.12 H new ATOM 18 N THR A 10 -11.798 -18.956 3.790 1.00 45.20 N ATOM 19 CA THR A 10 -12.426 -17.950 4.639 1.00 61.31 C ATOM 20 C THR A 10 -12.243 -18.285 6.114 1.00 34.02 C ATOM 21 O THR A 10 -12.495 -19.411 6.541 1.00 71.22 O ATOM 22 CB THR A 10 -13.930 -17.819 4.336 1.00 42.22 C ATOM 23 OG1 THR A 10 -14.136 -17.678 2.925 1.00 75.33 O ATOM 24 CG2 THR A 10 -14.524 -16.621 5.061 1.00 3.24 C ATOM 0 H THR A 10 -12.416 -19.718 3.513 1.00 45.20 H new ATOM 0 HA THR A 10 -11.936 -17.001 4.421 1.00 61.31 H new ATOM 0 HB THR A 10 -14.429 -18.722 4.687 1.00 42.22 H new ATOM 0 HG1 THR A 10 -15.095 -17.597 2.741 1.00 75.33 H new ATOM 0 HG21 THR A 10 -15.587 -16.548 4.832 1.00 3.24 H new ATOM 0 HG22 THR A 10 -14.392 -16.744 6.136 1.00 3.24 H new ATOM 0 HG23 THR A 10 -14.019 -15.712 4.735 1.00 3.24 H new ATOM 32 N PHE A 11 -11.804 -17.299 6.890 1.00 45.22 N ATOM 33 CA PHE A 11 -11.588 -17.489 8.320 1.00 71.20 C ATOM 34 C PHE A 11 -12.375 -16.462 9.129 1.00 71.13 C ATOM 35 O PHE A 11 -12.932 -15.513 8.578 1.00 43.45 O ATOM 36 CB PHE A 11 -10.099 -17.382 8.650 1.00 21.33 C ATOM 37 CG PHE A 11 -9.381 -18.701 8.617 1.00 74.31 C ATOM 38 CD1 PHE A 11 -9.652 -19.677 9.563 1.00 70.32 C ATOM 39 CD2 PHE A 11 -8.435 -18.966 7.640 1.00 43.32 C ATOM 40 CE1 PHE A 11 -8.995 -20.892 9.535 1.00 3.44 C ATOM 41 CE2 PHE A 11 -7.774 -20.179 7.606 1.00 63.33 C ATOM 42 CZ PHE A 11 -8.053 -21.144 8.556 1.00 4.11 C ATOM 0 H PHE A 11 -11.591 -16.360 6.553 1.00 45.22 H new ATOM 0 HA PHE A 11 -11.942 -18.485 8.587 1.00 71.20 H new ATOM 0 HB2 PHE A 11 -9.626 -16.702 7.941 1.00 21.33 H new ATOM 0 HB3 PHE A 11 -9.985 -16.940 9.640 1.00 21.33 H new ATOM 0 HD1 PHE A 11 -10.386 -19.485 10.332 1.00 70.32 H new ATOM 0 HD2 PHE A 11 -8.212 -18.216 6.896 1.00 43.32 H new ATOM 0 HE1 PHE A 11 -9.217 -21.644 10.278 1.00 3.44 H new ATOM 0 HE2 PHE A 11 -7.040 -20.373 6.838 1.00 63.33 H new ATOM 0 HZ PHE A 11 -7.536 -22.092 8.533 1.00 4.11 H new ATOM 52 N LYS A 12 -12.417 -16.660 10.443 1.00 2.21 N ATOM 53 CA LYS A 12 -13.133 -15.754 11.332 1.00 21.43 C ATOM 54 C LYS A 12 -12.262 -15.352 12.517 1.00 33.24 C ATOM 55 O LYS A 12 -11.576 -16.187 13.108 1.00 44.41 O ATOM 56 CB LYS A 12 -14.423 -16.410 11.832 1.00 14.14 C ATOM 57 CG LYS A 12 -15.518 -15.415 12.175 1.00 54.40 C ATOM 58 CD LYS A 12 -16.566 -16.032 13.086 1.00 33.22 C ATOM 59 CE LYS A 12 -17.791 -15.140 13.210 1.00 11.53 C ATOM 60 NZ LYS A 12 -18.523 -15.377 14.486 1.00 71.25 N1+ ATOM 0 H LYS A 12 -11.963 -17.441 10.915 1.00 2.21 H new ATOM 0 HA LYS A 12 -13.384 -14.856 10.768 1.00 21.43 H new ATOM 0 HB2 LYS A 12 -14.792 -17.095 11.068 1.00 14.14 H new ATOM 0 HB3 LYS A 12 -14.198 -17.008 12.715 1.00 14.14 H new ATOM 0 HG2 LYS A 12 -15.080 -14.543 12.661 1.00 54.40 H new ATOM 0 HG3 LYS A 12 -15.992 -15.064 11.258 1.00 54.40 H new ATOM 0 HD2 LYS A 12 -16.862 -17.006 12.695 1.00 33.22 H new ATOM 0 HD3 LYS A 12 -16.137 -16.202 14.073 1.00 33.22 H new ATOM 0 HE2 LYS A 12 -17.486 -14.095 13.155 1.00 11.53 H new ATOM 0 HE3 LYS A 12 -18.460 -15.322 12.369 1.00 11.53 H new ATOM 0 HZ1 LYS A 12 -19.531 -15.536 14.284 1.00 71.25 H new ATOM 0 HZ2 LYS A 12 -18.129 -16.213 14.962 1.00 71.25 H new ATOM 0 HZ3 LYS A 12 -18.421 -14.547 15.104 1.00 71.25 H new ATOM 74 N LEU A 13 -12.295 -14.069 12.863 1.00 15.12 N ATOM 75 CA LEU A 13 -11.509 -13.557 13.979 1.00 30.32 C ATOM 76 C LEU A 13 -12.354 -12.650 14.869 1.00 54.04 C ATOM 77 O LEU A 13 -12.803 -11.587 14.439 1.00 14.41 O ATOM 78 CB LEU A 13 -10.290 -12.791 13.462 1.00 23.33 C ATOM 79 CG LEU A 13 -9.055 -12.808 14.364 1.00 71.13 C ATOM 80 CD1 LEU A 13 -7.785 -12.740 13.530 1.00 2.24 C ATOM 81 CD2 LEU A 13 -9.105 -11.657 15.357 1.00 33.20 C ATOM 0 H LEU A 13 -12.858 -13.365 12.386 1.00 15.12 H new ATOM 0 HA LEU A 13 -11.171 -14.406 14.573 1.00 30.32 H new ATOM 0 HB2 LEU A 13 -10.012 -13.202 12.491 1.00 23.33 H new ATOM 0 HB3 LEU A 13 -10.581 -11.754 13.297 1.00 23.33 H new ATOM 0 HG LEU A 13 -9.049 -13.744 14.923 1.00 71.13 H new ATOM 0 HD11 LEU A 13 -6.916 -12.753 14.188 1.00 2.24 H new ATOM 0 HD12 LEU A 13 -7.744 -13.598 12.858 1.00 2.24 H new ATOM 0 HD13 LEU A 13 -7.783 -11.820 12.945 1.00 2.24 H new ATOM 0 HD21 LEU A 13 -8.219 -11.684 15.991 1.00 33.20 H new ATOM 0 HD22 LEU A 13 -9.135 -10.711 14.816 1.00 33.20 H new ATOM 0 HD23 LEU A 13 -9.997 -11.749 15.977 1.00 33.20 H new ATOM 93 N ILE A 14 -12.564 -13.075 16.110 1.00 42.13 N ATOM 94 CA ILE A 14 -13.352 -12.300 17.060 1.00 22.53 C ATOM 95 C ILE A 14 -12.485 -11.275 17.784 1.00 20.35 C ATOM 96 O ILE A 14 -11.585 -11.634 18.544 1.00 31.15 O ATOM 97 CB ILE A 14 -14.031 -13.209 18.102 1.00 63.32 C ATOM 98 CG1 ILE A 14 -14.855 -14.294 17.404 1.00 53.10 C ATOM 99 CG2 ILE A 14 -14.909 -12.384 19.031 1.00 12.25 C ATOM 100 CD1 ILE A 14 -15.915 -13.743 16.477 1.00 23.21 C ATOM 0 H ILE A 14 -12.199 -13.952 16.481 1.00 42.13 H new ATOM 0 HA ILE A 14 -14.121 -11.783 16.486 1.00 22.53 H new ATOM 0 HB ILE A 14 -13.259 -13.694 18.699 1.00 63.32 H new ATOM 0 HG12 ILE A 14 -14.185 -14.938 16.835 1.00 53.10 H new ATOM 0 HG13 ILE A 14 -15.333 -14.919 18.159 1.00 53.10 H new ATOM 0 HG21 ILE A 14 -15.382 -13.040 19.762 1.00 12.25 H new ATOM 0 HG22 ILE A 14 -14.297 -11.645 19.549 1.00 12.25 H new ATOM 0 HG23 ILE A 14 -15.677 -11.875 18.449 1.00 12.25 H new ATOM 0 HD11 ILE A 14 -16.460 -14.567 16.017 1.00 23.21 H new ATOM 0 HD12 ILE A 14 -16.608 -13.122 17.045 1.00 23.21 H new ATOM 0 HD13 ILE A 14 -15.442 -13.142 15.700 1.00 23.21 H new ATOM 112 N ILE A 15 -12.764 -9.999 17.544 1.00 72.01 N ATOM 113 CA ILE A 15 -12.013 -8.921 18.175 1.00 44.34 C ATOM 114 C ILE A 15 -12.521 -8.651 19.588 1.00 3.12 C ATOM 115 O ILE A 15 -13.613 -8.118 19.774 1.00 5.14 O ATOM 116 CB ILE A 15 -12.096 -7.620 17.355 1.00 60.41 C ATOM 117 CG1 ILE A 15 -11.637 -7.868 15.917 1.00 21.24 C ATOM 118 CG2 ILE A 15 -11.256 -6.530 18.004 1.00 55.42 C ATOM 119 CD1 ILE A 15 -11.871 -6.692 14.996 1.00 34.54 C ATOM 0 H ILE A 15 -13.505 -9.686 16.917 1.00 72.01 H new ATOM 0 HA ILE A 15 -10.974 -9.246 18.220 1.00 44.34 H new ATOM 0 HB ILE A 15 -13.134 -7.287 17.333 1.00 60.41 H new ATOM 0 HG12 ILE A 15 -10.574 -8.110 15.920 1.00 21.24 H new ATOM 0 HG13 ILE A 15 -12.161 -8.738 15.522 1.00 21.24 H new ATOM 0 HG21 ILE A 15 -11.325 -5.617 17.413 1.00 55.42 H new ATOM 0 HG22 ILE A 15 -11.624 -6.338 19.012 1.00 55.42 H new ATOM 0 HG23 ILE A 15 -10.216 -6.853 18.053 1.00 55.42 H new ATOM 0 HD11 ILE A 15 -11.521 -6.940 13.994 1.00 34.54 H new ATOM 0 HD12 ILE A 15 -12.936 -6.462 14.962 1.00 34.54 H new ATOM 0 HD13 ILE A 15 -11.324 -5.825 15.367 1.00 34.54 H new ATOM 131 N ASN A 16 -11.718 -9.023 20.580 1.00 60.12 N ATOM 132 CA ASN A 16 -12.085 -8.819 21.977 1.00 11.04 C ATOM 133 C ASN A 16 -10.978 -8.088 22.729 1.00 13.01 C ATOM 134 O ASN A 16 -10.109 -8.711 23.336 1.00 61.40 O ATOM 135 CB ASN A 16 -12.373 -10.163 22.651 1.00 25.41 C ATOM 136 CG ASN A 16 -13.396 -10.043 23.765 1.00 12.13 C ATOM 137 OD1 ASN A 16 -14.502 -10.574 23.666 1.00 15.52 O ATOM 138 ND2 ASN A 16 -13.028 -9.344 24.832 1.00 71.04 N ATOM 0 H ASN A 16 -10.810 -9.467 20.443 1.00 60.12 H new ATOM 0 HA ASN A 16 -12.985 -8.205 22.005 1.00 11.04 H new ATOM 0 HB2 ASN A 16 -12.734 -10.871 21.905 1.00 25.41 H new ATOM 0 HB3 ASN A 16 -11.446 -10.570 23.055 1.00 25.41 H new ATOM 0 HD21 ASN A 16 -13.673 -9.230 25.614 1.00 71.04 H new ATOM 0 HD22 ASN A 16 -12.100 -8.922 24.870 1.00 71.04 H new ATOM 145 N GLY A 17 -11.019 -6.758 22.686 1.00 21.43 N ATOM 146 CA GLY A 17 -10.014 -5.963 23.367 1.00 34.54 C ATOM 147 C GLY A 17 -10.581 -4.674 23.930 1.00 24.01 C ATOM 148 O GLY A 17 -11.786 -4.435 23.863 1.00 42.44 O ATOM 0 H GLY A 17 -11.730 -6.219 22.192 1.00 21.43 H new ATOM 0 HA2 GLY A 17 -9.578 -6.549 24.176 1.00 34.54 H new ATOM 0 HA3 GLY A 17 -9.207 -5.729 22.672 1.00 34.54 H new ATOM 152 N LYS A 18 -9.708 -3.841 24.489 1.00 71.13 N ATOM 153 CA LYS A 18 -10.127 -2.570 25.067 1.00 52.20 C ATOM 154 C LYS A 18 -10.267 -1.502 23.988 1.00 55.11 C ATOM 155 O LYS A 18 -11.320 -0.879 23.848 1.00 12.41 O ATOM 156 CB LYS A 18 -9.120 -2.112 26.126 1.00 24.34 C ATOM 157 CG LYS A 18 -8.725 -3.206 27.102 1.00 63.53 C ATOM 158 CD LYS A 18 -9.915 -3.683 27.917 1.00 1.43 C ATOM 159 CE LYS A 18 -9.605 -4.978 28.652 1.00 70.43 C ATOM 160 NZ LYS A 18 -8.539 -4.792 29.675 1.00 22.11 N1+ ATOM 0 H LYS A 18 -8.707 -4.024 24.554 1.00 71.13 H new ATOM 0 HA LYS A 18 -11.099 -2.716 25.537 1.00 52.20 H new ATOM 0 HB2 LYS A 18 -8.225 -1.741 25.627 1.00 24.34 H new ATOM 0 HB3 LYS A 18 -9.545 -1.276 26.682 1.00 24.34 H new ATOM 0 HG2 LYS A 18 -8.298 -4.046 26.555 1.00 63.53 H new ATOM 0 HG3 LYS A 18 -7.950 -2.834 27.772 1.00 63.53 H new ATOM 0 HD2 LYS A 18 -10.196 -2.914 28.636 1.00 1.43 H new ATOM 0 HD3 LYS A 18 -10.771 -3.833 27.259 1.00 1.43 H new ATOM 0 HE2 LYS A 18 -10.510 -5.348 29.133 1.00 70.43 H new ATOM 0 HE3 LYS A 18 -9.292 -5.737 27.935 1.00 70.43 H new ATOM 0 HZ1 LYS A 18 -8.368 -5.693 30.166 1.00 22.11 H new ATOM 0 HZ2 LYS A 18 -7.663 -4.479 29.210 1.00 22.11 H new ATOM 0 HZ3 LYS A 18 -8.841 -4.074 30.364 1.00 22.11 H new ATOM 174 N THR A 19 -9.198 -1.294 23.224 1.00 41.51 N ATOM 175 CA THR A 19 -9.202 -0.302 22.156 1.00 51.42 C ATOM 176 C THR A 19 -10.094 -0.741 21.001 1.00 1.04 C ATOM 177 O THR A 19 -10.920 0.030 20.513 1.00 53.32 O ATOM 178 CB THR A 19 -7.781 -0.043 21.625 1.00 42.42 C ATOM 179 OG1 THR A 19 -6.892 0.233 22.713 1.00 61.23 O ATOM 180 CG2 THR A 19 -7.772 1.124 20.648 1.00 4.23 C ATOM 0 H THR A 19 -8.318 -1.800 23.326 1.00 41.51 H new ATOM 0 HA THR A 19 -9.595 0.621 22.583 1.00 51.42 H new ATOM 0 HB THR A 19 -7.445 -0.938 21.101 1.00 42.42 H new ATOM 0 HG1 THR A 19 -5.990 0.395 22.366 1.00 61.23 H new ATOM 0 HG21 THR A 19 -6.757 1.288 20.286 1.00 4.23 H new ATOM 0 HG22 THR A 19 -8.425 0.898 19.805 1.00 4.23 H new ATOM 0 HG23 THR A 19 -8.127 2.023 21.152 1.00 4.23 H new ATOM 188 N LEU A 20 -9.922 -1.985 20.568 1.00 34.22 N ATOM 189 CA LEU A 20 -10.712 -2.528 19.468 1.00 63.10 C ATOM 190 C LEU A 20 -11.797 -3.466 19.988 1.00 35.53 C ATOM 191 O LEU A 20 -11.648 -4.080 21.045 1.00 70.32 O ATOM 192 CB LEU A 20 -9.809 -3.271 18.483 1.00 12.42 C ATOM 193 CG LEU A 20 -9.224 -2.434 17.346 1.00 10.52 C ATOM 194 CD1 LEU A 20 -8.300 -3.279 16.481 1.00 42.02 C ATOM 195 CD2 LEU A 20 -10.337 -1.827 16.503 1.00 43.51 C ATOM 0 H LEU A 20 -9.243 -2.637 20.961 1.00 34.22 H new ATOM 0 HA LEU A 20 -11.193 -1.696 18.954 1.00 63.10 H new ATOM 0 HB2 LEU A 20 -8.985 -3.716 19.041 1.00 12.42 H new ATOM 0 HB3 LEU A 20 -10.379 -4.092 18.047 1.00 12.42 H new ATOM 0 HG LEU A 20 -8.640 -1.623 17.781 1.00 10.52 H new ATOM 0 HD11 LEU A 20 -7.893 -2.666 15.677 1.00 42.02 H new ATOM 0 HD12 LEU A 20 -7.484 -3.666 17.091 1.00 42.02 H new ATOM 0 HD13 LEU A 20 -8.861 -4.111 16.055 1.00 42.02 H new ATOM 0 HD21 LEU A 20 -9.902 -1.234 15.698 1.00 43.51 H new ATOM 0 HD22 LEU A 20 -10.947 -2.624 16.078 1.00 43.51 H new ATOM 0 HD23 LEU A 20 -10.960 -1.188 17.129 1.00 43.51 H new ATOM 207 N LYS A 21 -12.888 -3.574 19.238 1.00 21.43 N ATOM 208 CA LYS A 21 -13.997 -4.439 19.620 1.00 21.33 C ATOM 209 C LYS A 21 -14.879 -4.759 18.417 1.00 60.43 C ATOM 210 O LYS A 21 -15.166 -3.887 17.598 1.00 63.44 O ATOM 211 CB LYS A 21 -14.834 -3.777 20.717 1.00 55.53 C ATOM 212 CG LYS A 21 -15.529 -2.503 20.266 1.00 4.33 C ATOM 213 CD LYS A 21 -16.197 -1.791 21.430 1.00 61.32 C ATOM 214 CE LYS A 21 -17.333 -0.897 20.958 1.00 60.53 C ATOM 215 NZ LYS A 21 -16.828 0.346 20.312 1.00 75.34 N1+ ATOM 0 H LYS A 21 -13.028 -3.072 18.361 1.00 21.43 H new ATOM 0 HA LYS A 21 -13.581 -5.372 20.001 1.00 21.33 H new ATOM 0 HB2 LYS A 21 -15.584 -4.486 21.068 1.00 55.53 H new ATOM 0 HB3 LYS A 21 -14.190 -3.549 21.566 1.00 55.53 H new ATOM 0 HG2 LYS A 21 -14.803 -1.837 19.799 1.00 4.33 H new ATOM 0 HG3 LYS A 21 -16.275 -2.743 19.508 1.00 4.33 H new ATOM 0 HD2 LYS A 21 -16.581 -2.527 22.136 1.00 61.32 H new ATOM 0 HD3 LYS A 21 -15.459 -1.192 21.964 1.00 61.32 H new ATOM 0 HE2 LYS A 21 -17.958 -1.445 20.253 1.00 60.53 H new ATOM 0 HE3 LYS A 21 -17.965 -0.635 21.806 1.00 60.53 H new ATOM 0 HZ1 LYS A 21 -17.633 0.929 20.004 1.00 75.34 H new ATOM 0 HZ2 LYS A 21 -16.253 0.882 20.993 1.00 75.34 H new ATOM 0 HZ3 LYS A 21 -16.245 0.097 19.487 1.00 75.34 H new ATOM 229 N GLY A 22 -15.306 -6.013 18.317 1.00 22.24 N ATOM 230 CA GLY A 22 -16.151 -6.424 17.212 1.00 13.53 C ATOM 231 C GLY A 22 -15.792 -7.800 16.686 1.00 12.33 C ATOM 232 O GLY A 22 -15.256 -8.630 17.420 1.00 22.45 O ATOM 0 H GLY A 22 -15.082 -6.753 18.982 1.00 22.24 H new ATOM 0 HA2 GLY A 22 -17.192 -6.422 17.535 1.00 13.53 H new ATOM 0 HA3 GLY A 22 -16.067 -5.697 16.405 1.00 13.53 H new ATOM 236 N GLU A 23 -16.088 -8.041 15.413 1.00 55.04 N ATOM 237 CA GLU A 23 -15.794 -9.328 14.791 1.00 22.00 C ATOM 238 C GLU A 23 -15.866 -9.226 13.271 1.00 41.13 C ATOM 239 O GLU A 23 -16.596 -8.397 12.725 1.00 33.05 O ATOM 240 CB GLU A 23 -16.769 -10.395 15.291 1.00 73.21 C ATOM 241 CG GLU A 23 -18.230 -10.003 15.139 1.00 40.15 C ATOM 242 CD GLU A 23 -18.732 -9.166 16.299 1.00 51.12 C ATOM 243 OE1 GLU A 23 -18.138 -9.254 17.394 1.00 23.04 O ATOM 244 OE2 GLU A 23 -19.718 -8.423 16.113 1.00 74.14 O1- ATOM 0 H GLU A 23 -16.531 -7.363 14.792 1.00 55.04 H new ATOM 0 HA GLU A 23 -14.780 -9.615 15.070 1.00 22.00 H new ATOM 0 HB2 GLU A 23 -16.591 -11.322 14.745 1.00 73.21 H new ATOM 0 HB3 GLU A 23 -16.564 -10.599 16.342 1.00 73.21 H new ATOM 0 HG2 GLU A 23 -18.358 -9.446 14.211 1.00 40.15 H new ATOM 0 HG3 GLU A 23 -18.838 -10.904 15.056 1.00 40.15 H new ATOM 251 N THR A 24 -15.104 -10.076 12.590 1.00 60.32 N ATOM 252 CA THR A 24 -15.080 -10.083 11.132 1.00 25.32 C ATOM 253 C THR A 24 -14.380 -11.327 10.599 1.00 65.41 C ATOM 254 O THR A 24 -13.811 -12.107 11.362 1.00 73.40 O ATOM 255 CB THR A 24 -14.373 -8.832 10.577 1.00 52.33 C ATOM 256 OG1 THR A 24 -14.548 -8.761 9.157 1.00 13.43 O ATOM 257 CG2 THR A 24 -12.889 -8.857 10.909 1.00 52.42 C ATOM 0 H THR A 24 -14.495 -10.769 13.025 1.00 60.32 H new ATOM 0 HA THR A 24 -16.118 -10.084 10.799 1.00 25.32 H new ATOM 0 HB THR A 24 -14.818 -7.953 11.043 1.00 52.33 H new ATOM 0 HG1 THR A 24 -14.097 -7.962 8.811 1.00 13.43 H new ATOM 0 HG21 THR A 24 -12.411 -7.964 10.507 1.00 52.42 H new ATOM 0 HG22 THR A 24 -12.759 -8.883 11.991 1.00 52.42 H new ATOM 0 HG23 THR A 24 -12.432 -9.743 10.467 1.00 52.42 H new ATOM 265 N THR A 25 -14.426 -11.508 9.283 1.00 73.42 N ATOM 266 CA THR A 25 -13.796 -12.659 8.648 1.00 54.14 C ATOM 267 C THR A 25 -12.531 -12.251 7.901 1.00 20.24 C ATOM 268 O THR A 25 -12.365 -11.089 7.527 1.00 21.12 O ATOM 269 CB THR A 25 -14.757 -13.353 7.663 1.00 10.51 C ATOM 270 OG1 THR A 25 -15.298 -12.394 6.748 1.00 15.43 O ATOM 271 CG2 THR A 25 -15.889 -14.044 8.410 1.00 35.12 C ATOM 0 H THR A 25 -14.893 -10.872 8.636 1.00 73.42 H new ATOM 0 HA THR A 25 -13.536 -13.356 9.445 1.00 54.14 H new ATOM 0 HB THR A 25 -14.195 -14.105 7.109 1.00 10.51 H new ATOM 0 HG1 THR A 25 -15.906 -12.843 6.125 1.00 15.43 H new ATOM 0 HG21 THR A 25 -16.555 -14.527 7.695 1.00 35.12 H new ATOM 0 HG22 THR A 25 -15.475 -14.794 9.085 1.00 35.12 H new ATOM 0 HG23 THR A 25 -16.448 -13.307 8.986 1.00 35.12 H new ATOM 279 N THR A 26 -11.639 -13.214 7.688 1.00 34.41 N ATOM 280 CA THR A 26 -10.389 -12.955 6.986 1.00 23.42 C ATOM 281 C THR A 26 -10.146 -13.989 5.893 1.00 1.43 C ATOM 282 O THR A 26 -10.089 -15.188 6.163 1.00 70.12 O ATOM 283 CB THR A 26 -9.190 -12.958 7.955 1.00 73.24 C ATOM 284 OG1 THR A 26 -9.450 -12.084 9.058 1.00 42.35 O ATOM 285 CG2 THR A 26 -7.918 -12.522 7.243 1.00 5.44 C ATOM 0 H THR A 26 -11.760 -14.180 7.992 1.00 34.41 H new ATOM 0 HA THR A 26 -10.480 -11.968 6.533 1.00 23.42 H new ATOM 0 HB THR A 26 -9.050 -13.974 8.323 1.00 73.24 H new ATOM 0 HG1 THR A 26 -8.684 -12.093 9.670 1.00 42.35 H new ATOM 0 HG21 THR A 26 -7.086 -12.532 7.947 1.00 5.44 H new ATOM 0 HG22 THR A 26 -7.707 -13.207 6.422 1.00 5.44 H new ATOM 0 HG23 THR A 26 -8.049 -11.514 6.850 1.00 5.44 H new ATOM 293 N GLU A 27 -10.005 -13.516 4.658 1.00 32.30 N ATOM 294 CA GLU A 27 -9.769 -14.402 3.524 1.00 63.52 C ATOM 295 C GLU A 27 -8.279 -14.494 3.206 1.00 43.23 C ATOM 296 O GLU A 27 -7.711 -13.600 2.581 1.00 74.31 O ATOM 297 CB GLU A 27 -10.535 -13.907 2.295 1.00 70.54 C ATOM 298 CG GLU A 27 -12.027 -14.186 2.354 1.00 43.32 C ATOM 299 CD GLU A 27 -12.780 -13.577 1.187 1.00 43.31 C ATOM 300 OE1 GLU A 27 -13.203 -12.407 1.301 1.00 4.11 O ATOM 301 OE2 GLU A 27 -12.949 -14.269 0.162 1.00 22.03 O1- ATOM 0 H GLU A 27 -10.050 -12.526 4.418 1.00 32.30 H new ATOM 0 HA GLU A 27 -10.127 -15.396 3.791 1.00 63.52 H new ATOM 0 HB2 GLU A 27 -10.379 -12.834 2.188 1.00 70.54 H new ATOM 0 HB3 GLU A 27 -10.121 -14.380 1.405 1.00 70.54 H new ATOM 0 HG2 GLU A 27 -12.191 -15.263 2.365 1.00 43.32 H new ATOM 0 HG3 GLU A 27 -12.430 -13.792 3.287 1.00 43.32 H new ATOM 308 N ALA A 28 -7.654 -15.583 3.642 1.00 74.12 N ATOM 309 CA ALA A 28 -6.232 -15.794 3.404 1.00 14.14 C ATOM 310 C ALA A 28 -5.975 -17.169 2.797 1.00 53.14 C ATOM 311 O ALA A 28 -6.874 -18.007 2.730 1.00 13.53 O ATOM 312 CB ALA A 28 -5.450 -15.632 4.700 1.00 23.24 C ATOM 0 H ALA A 28 -8.111 -16.332 4.162 1.00 74.12 H new ATOM 0 HA ALA A 28 -5.893 -15.042 2.691 1.00 14.14 H new ATOM 0 HB1 ALA A 28 -4.389 -15.792 4.507 1.00 23.24 H new ATOM 0 HB2 ALA A 28 -5.600 -14.626 5.092 1.00 23.24 H new ATOM 0 HB3 ALA A 28 -5.800 -16.362 5.430 1.00 23.24 H new ATOM 318 N VAL A 29 -4.742 -17.396 2.355 1.00 12.53 N ATOM 319 CA VAL A 29 -4.366 -18.669 1.753 1.00 53.42 C ATOM 320 C VAL A 29 -4.229 -19.757 2.812 1.00 41.52 C ATOM 321 O VAL A 29 -4.443 -20.938 2.535 1.00 0.11 O ATOM 322 CB VAL A 29 -3.042 -18.554 0.976 1.00 63.21 C ATOM 323 CG1 VAL A 29 -1.931 -18.054 1.887 1.00 70.40 C ATOM 324 CG2 VAL A 29 -2.672 -19.892 0.354 1.00 54.14 C ATOM 0 H VAL A 29 -3.986 -16.713 2.403 1.00 12.53 H new ATOM 0 HA VAL A 29 -5.162 -18.939 1.059 1.00 53.42 H new ATOM 0 HB VAL A 29 -3.173 -17.830 0.172 1.00 63.21 H new ATOM 0 HG11 VAL A 29 -1.003 -17.979 1.321 1.00 70.40 H new ATOM 0 HG12 VAL A 29 -2.197 -17.073 2.280 1.00 70.40 H new ATOM 0 HG13 VAL A 29 -1.797 -18.752 2.714 1.00 70.40 H new ATOM 0 HG21 VAL A 29 -1.734 -19.793 -0.191 1.00 54.14 H new ATOM 0 HG22 VAL A 29 -2.558 -20.639 1.139 1.00 54.14 H new ATOM 0 HG23 VAL A 29 -3.459 -20.204 -0.332 1.00 54.14 H new ATOM 334 N ASP A 30 -3.872 -19.352 4.026 1.00 70.43 N ATOM 335 CA ASP A 30 -3.708 -20.293 5.128 1.00 73.32 C ATOM 336 C ASP A 30 -4.139 -19.663 6.449 1.00 34.55 C ATOM 337 O ASP A 30 -4.502 -18.488 6.498 1.00 33.13 O ATOM 338 CB ASP A 30 -2.252 -20.755 5.220 1.00 34.04 C ATOM 339 CG ASP A 30 -2.122 -22.150 5.800 1.00 22.35 C ATOM 340 OD1 ASP A 30 -3.166 -22.792 6.038 1.00 10.52 O ATOM 341 OD2 ASP A 30 -0.977 -22.598 6.015 1.00 12.45 O1- ATOM 0 H ASP A 30 -3.691 -18.379 4.272 1.00 70.43 H new ATOM 0 HA ASP A 30 -4.344 -21.157 4.933 1.00 73.32 H new ATOM 0 HB2 ASP A 30 -1.804 -20.735 4.226 1.00 34.04 H new ATOM 0 HB3 ASP A 30 -1.690 -20.054 5.837 1.00 34.04 H new ATOM 346 N ALA A 31 -4.097 -20.453 7.516 1.00 52.43 N ATOM 347 CA ALA A 31 -4.482 -19.972 8.838 1.00 61.11 C ATOM 348 C ALA A 31 -3.399 -19.080 9.435 1.00 62.31 C ATOM 349 O ALA A 31 -3.681 -17.988 9.924 1.00 72.41 O ATOM 350 CB ALA A 31 -4.771 -21.146 9.763 1.00 3.03 C ATOM 0 H ALA A 31 -3.800 -21.429 7.492 1.00 52.43 H new ATOM 0 HA ALA A 31 -5.388 -19.376 8.731 1.00 61.11 H new ATOM 0 HB1 ALA A 31 -5.057 -20.773 10.746 1.00 3.03 H new ATOM 0 HB2 ALA A 31 -5.585 -21.743 9.350 1.00 3.03 H new ATOM 0 HB3 ALA A 31 -3.878 -21.765 9.855 1.00 3.03 H new ATOM 356 N ALA A 32 -2.158 -19.555 9.392 1.00 53.21 N ATOM 357 CA ALA A 32 -1.033 -18.800 9.928 1.00 75.24 C ATOM 358 C ALA A 32 -1.004 -17.383 9.366 1.00 53.21 C ATOM 359 O ALA A 32 -0.591 -16.441 10.044 1.00 32.14 O ATOM 360 CB ALA A 32 0.275 -19.515 9.625 1.00 74.13 C ATOM 0 H ALA A 32 -1.907 -20.459 8.992 1.00 53.21 H new ATOM 0 HA ALA A 32 -1.156 -18.732 11.009 1.00 75.24 H new ATOM 0 HB1 ALA A 32 1.107 -18.940 10.031 1.00 74.13 H new ATOM 0 HB2 ALA A 32 0.262 -20.505 10.080 1.00 74.13 H new ATOM 0 HB3 ALA A 32 0.395 -19.613 8.546 1.00 74.13 H new ATOM 366 N THR A 33 -1.448 -17.236 8.121 1.00 2.33 N ATOM 367 CA THR A 33 -1.472 -15.934 7.467 1.00 44.21 C ATOM 368 C THR A 33 -2.717 -15.146 7.856 1.00 51.53 C ATOM 369 O THR A 33 -2.689 -13.917 7.925 1.00 72.34 O ATOM 370 CB THR A 33 -1.427 -16.075 5.934 1.00 63.41 C ATOM 371 OG1 THR A 33 -0.511 -17.112 5.563 1.00 42.41 O ATOM 372 CG2 THR A 33 -1.011 -14.765 5.281 1.00 40.45 C ATOM 0 H THR A 33 -1.796 -18.003 7.546 1.00 2.33 H new ATOM 0 HA THR A 33 -0.585 -15.396 7.802 1.00 44.21 H new ATOM 0 HB THR A 33 -2.427 -16.334 5.586 1.00 63.41 H new ATOM 0 HG1 THR A 33 -0.490 -17.196 4.587 1.00 42.41 H new ATOM 0 HG21 THR A 33 -0.986 -14.890 4.198 1.00 40.45 H new ATOM 0 HG22 THR A 33 -1.727 -13.986 5.540 1.00 40.45 H new ATOM 0 HG23 THR A 33 -0.021 -14.480 5.636 1.00 40.45 H new ATOM 380 N ALA A 34 -3.808 -15.859 8.113 1.00 14.43 N ATOM 381 CA ALA A 34 -5.062 -15.226 8.499 1.00 52.31 C ATOM 382 C ALA A 34 -4.868 -14.318 9.710 1.00 14.13 C ATOM 383 O ALA A 34 -5.612 -13.356 9.900 1.00 15.02 O ATOM 384 CB ALA A 34 -6.119 -16.281 8.793 1.00 63.31 C ATOM 0 H ALA A 34 -3.848 -16.877 8.061 1.00 14.43 H new ATOM 0 HA ALA A 34 -5.401 -14.611 7.665 1.00 52.31 H new ATOM 0 HB1 ALA A 34 -7.050 -15.793 9.080 1.00 63.31 H new ATOM 0 HB2 ALA A 34 -6.286 -16.887 7.902 1.00 63.31 H new ATOM 0 HB3 ALA A 34 -5.778 -16.920 9.608 1.00 63.31 H new ATOM 390 N GLU A 35 -3.867 -14.632 10.525 1.00 23.25 N ATOM 391 CA GLU A 35 -3.578 -13.845 11.718 1.00 61.13 C ATOM 392 C GLU A 35 -2.778 -12.594 11.363 1.00 54.43 C ATOM 393 O GLU A 35 -2.979 -11.528 11.946 1.00 43.12 O ATOM 394 CB GLU A 35 -2.804 -14.685 12.736 1.00 10.44 C ATOM 395 CG GLU A 35 -2.282 -13.884 13.915 1.00 0.41 C ATOM 396 CD GLU A 35 -0.878 -13.359 13.688 1.00 3.15 C ATOM 397 OE1 GLU A 35 -0.353 -13.536 12.568 1.00 70.32 O ATOM 398 OE2 GLU A 35 -0.302 -12.773 14.629 1.00 74.33 O1- ATOM 0 H GLU A 35 -3.242 -15.426 10.381 1.00 23.25 H new ATOM 0 HA GLU A 35 -4.527 -13.538 12.158 1.00 61.13 H new ATOM 0 HB2 GLU A 35 -3.452 -15.480 13.106 1.00 10.44 H new ATOM 0 HB3 GLU A 35 -1.964 -15.166 12.234 1.00 10.44 H new ATOM 0 HG2 GLU A 35 -2.953 -13.046 14.106 1.00 0.41 H new ATOM 0 HG3 GLU A 35 -2.292 -14.510 14.807 1.00 0.41 H new ATOM 405 N LYS A 36 -1.870 -12.731 10.403 1.00 23.15 N ATOM 406 CA LYS A 36 -1.039 -11.614 9.968 1.00 52.14 C ATOM 407 C LYS A 36 -1.866 -10.590 9.198 1.00 35.55 C ATOM 408 O LYS A 36 -1.509 -9.413 9.132 1.00 40.44 O ATOM 409 CB LYS A 36 0.112 -12.117 9.095 1.00 72.33 C ATOM 410 CG LYS A 36 1.278 -11.148 9.009 1.00 62.51 C ATOM 411 CD LYS A 36 2.209 -11.497 7.859 1.00 63.21 C ATOM 412 CE LYS A 36 3.582 -10.871 8.045 1.00 13.24 C ATOM 413 NZ LYS A 36 3.513 -9.384 8.083 1.00 11.12 N1+ ATOM 0 H LYS A 36 -1.690 -13.606 9.910 1.00 23.15 H new ATOM 0 HA LYS A 36 -0.629 -11.131 10.855 1.00 52.14 H new ATOM 0 HB2 LYS A 36 0.469 -13.068 9.491 1.00 72.33 H new ATOM 0 HB3 LYS A 36 -0.263 -12.311 8.090 1.00 72.33 H new ATOM 0 HG2 LYS A 36 0.901 -10.134 8.878 1.00 62.51 H new ATOM 0 HG3 LYS A 36 1.834 -11.163 9.946 1.00 62.51 H new ATOM 0 HD2 LYS A 36 2.308 -12.580 7.786 1.00 63.21 H new ATOM 0 HD3 LYS A 36 1.775 -11.153 6.920 1.00 63.21 H new ATOM 0 HE2 LYS A 36 4.026 -11.238 8.970 1.00 13.24 H new ATOM 0 HE3 LYS A 36 4.237 -11.184 7.232 1.00 13.24 H new ATOM 0 HZ1 LYS A 36 4.475 -8.993 8.143 1.00 11.12 H new ATOM 0 HZ2 LYS A 36 3.051 -9.036 7.219 1.00 11.12 H new ATOM 0 HZ3 LYS A 36 2.965 -9.083 8.914 1.00 11.12 H new ATOM 427 N VAL A 37 -2.972 -11.044 8.618 1.00 25.42 N ATOM 428 CA VAL A 37 -3.851 -10.166 7.854 1.00 74.43 C ATOM 429 C VAL A 37 -4.501 -9.120 8.754 1.00 55.41 C ATOM 430 O VAL A 37 -4.508 -7.930 8.437 1.00 34.14 O ATOM 431 CB VAL A 37 -4.955 -10.963 7.135 1.00 34.33 C ATOM 432 CG1 VAL A 37 -5.851 -10.032 6.333 1.00 11.13 C ATOM 433 CG2 VAL A 37 -4.342 -12.029 6.238 1.00 73.44 C ATOM 0 H VAL A 37 -3.281 -12.015 8.662 1.00 25.42 H new ATOM 0 HA VAL A 37 -3.230 -9.667 7.110 1.00 74.43 H new ATOM 0 HB VAL A 37 -5.569 -11.460 7.887 1.00 34.33 H new ATOM 0 HG11 VAL A 37 -6.625 -10.614 5.832 1.00 11.13 H new ATOM 0 HG12 VAL A 37 -6.317 -9.309 7.003 1.00 11.13 H new ATOM 0 HG13 VAL A 37 -5.254 -9.505 5.588 1.00 11.13 H new ATOM 0 HG21 VAL A 37 -5.136 -12.583 5.737 1.00 73.44 H new ATOM 0 HG22 VAL A 37 -3.704 -11.554 5.492 1.00 73.44 H new ATOM 0 HG23 VAL A 37 -3.746 -12.714 6.842 1.00 73.44 H new ATOM 443 N PHE A 38 -5.043 -9.572 9.880 1.00 35.23 N ATOM 444 CA PHE A 38 -5.696 -8.675 10.828 1.00 24.31 C ATOM 445 C PHE A 38 -4.667 -7.970 11.706 1.00 41.43 C ATOM 446 O PHE A 38 -4.937 -6.908 12.268 1.00 64.14 O ATOM 447 CB PHE A 38 -6.683 -9.452 11.701 1.00 35.21 C ATOM 448 CG PHE A 38 -7.306 -8.622 12.786 1.00 2.41 C ATOM 449 CD1 PHE A 38 -7.923 -7.418 12.488 1.00 54.14 C ATOM 450 CD2 PHE A 38 -7.274 -9.046 14.105 1.00 23.13 C ATOM 451 CE1 PHE A 38 -8.497 -6.651 13.484 1.00 44.12 C ATOM 452 CE2 PHE A 38 -7.848 -8.283 15.106 1.00 32.11 C ATOM 453 CZ PHE A 38 -8.459 -7.084 14.795 1.00 3.24 C ATOM 0 H PHE A 38 -5.043 -10.553 10.159 1.00 35.23 H new ATOM 0 HA PHE A 38 -6.241 -7.920 10.261 1.00 24.31 H new ATOM 0 HB2 PHE A 38 -7.472 -9.860 11.069 1.00 35.21 H new ATOM 0 HB3 PHE A 38 -6.167 -10.299 12.153 1.00 35.21 H new ATOM 0 HD1 PHE A 38 -7.956 -7.075 11.465 1.00 54.14 H new ATOM 0 HD2 PHE A 38 -6.796 -9.982 14.354 1.00 23.13 H new ATOM 0 HE1 PHE A 38 -8.975 -5.714 13.238 1.00 44.12 H new ATOM 0 HE2 PHE A 38 -7.818 -8.625 16.130 1.00 32.11 H new ATOM 0 HZ PHE A 38 -8.906 -6.486 15.575 1.00 3.24 H new ATOM 463 N LYS A 39 -3.487 -8.569 11.822 1.00 74.23 N ATOM 464 CA LYS A 39 -2.416 -8.001 12.632 1.00 2.32 C ATOM 465 C LYS A 39 -2.165 -6.543 12.257 1.00 50.00 C ATOM 466 O LYS A 39 -1.915 -5.706 13.123 1.00 52.52 O ATOM 467 CB LYS A 39 -1.131 -8.812 12.456 1.00 1.04 C ATOM 468 CG LYS A 39 -0.997 -9.963 13.439 1.00 51.34 C ATOM 469 CD LYS A 39 -0.308 -9.525 14.719 1.00 35.04 C ATOM 470 CE LYS A 39 1.193 -9.768 14.655 1.00 22.10 C ATOM 471 NZ LYS A 39 1.921 -8.597 14.095 1.00 62.01 N1+ ATOM 0 H LYS A 39 -3.248 -9.449 11.365 1.00 74.23 H new ATOM 0 HA LYS A 39 -2.724 -8.042 13.677 1.00 2.32 H new ATOM 0 HB2 LYS A 39 -1.097 -9.207 11.441 1.00 1.04 H new ATOM 0 HB3 LYS A 39 -0.274 -8.148 12.569 1.00 1.04 H new ATOM 0 HG2 LYS A 39 -1.985 -10.359 13.674 1.00 51.34 H new ATOM 0 HG3 LYS A 39 -0.430 -10.772 12.978 1.00 51.34 H new ATOM 0 HD2 LYS A 39 -0.499 -8.466 14.892 1.00 35.04 H new ATOM 0 HD3 LYS A 39 -0.730 -10.068 15.565 1.00 35.04 H new ATOM 0 HE2 LYS A 39 1.569 -9.985 15.655 1.00 22.10 H new ATOM 0 HE3 LYS A 39 1.393 -10.647 14.042 1.00 22.10 H new ATOM 0 HZ1 LYS A 39 2.932 -8.673 14.327 1.00 62.01 H new ATOM 0 HZ2 LYS A 39 1.804 -8.577 13.062 1.00 62.01 H new ATOM 0 HZ3 LYS A 39 1.537 -7.721 14.504 1.00 62.01 H new ATOM 485 N GLN A 40 -2.236 -6.250 10.962 1.00 32.35 N ATOM 486 CA GLN A 40 -2.018 -4.893 10.475 1.00 4.23 C ATOM 487 C GLN A 40 -3.062 -3.937 11.042 1.00 53.21 C ATOM 488 O GLN A 40 -2.756 -2.787 11.361 1.00 32.43 O ATOM 489 CB GLN A 40 -2.059 -4.865 8.947 1.00 54.41 C ATOM 490 CG GLN A 40 -2.041 -3.462 8.362 1.00 72.24 C ATOM 491 CD GLN A 40 -3.331 -3.109 7.649 1.00 34.41 C ATOM 492 OE1 GLN A 40 -3.753 -3.806 6.725 1.00 60.23 O ATOM 493 NE2 GLN A 40 -3.965 -2.023 8.073 1.00 3.43 N ATOM 0 H GLN A 40 -2.442 -6.933 10.233 1.00 32.35 H new ATOM 0 HA GLN A 40 -1.034 -4.567 10.811 1.00 4.23 H new ATOM 0 HB2 GLN A 40 -1.206 -5.422 8.559 1.00 54.41 H new ATOM 0 HB3 GLN A 40 -2.958 -5.380 8.607 1.00 54.41 H new ATOM 0 HG2 GLN A 40 -1.863 -2.742 9.161 1.00 72.24 H new ATOM 0 HG3 GLN A 40 -1.209 -3.375 7.663 1.00 72.24 H new ATOM 0 HE21 GLN A 40 -3.579 -1.475 8.842 1.00 3.43 H new ATOM 0 HE22 GLN A 40 -4.838 -1.736 7.630 1.00 3.43 H new ATOM 502 N TYR A 41 -4.294 -4.418 11.163 1.00 25.44 N ATOM 503 CA TYR A 41 -5.383 -3.604 11.689 1.00 72.32 C ATOM 504 C TYR A 41 -5.176 -3.306 13.171 1.00 14.54 C ATOM 505 O TYR A 41 -5.123 -2.147 13.581 1.00 1.03 O ATOM 506 CB TYR A 41 -6.723 -4.313 11.483 1.00 72.12 C ATOM 507 CG TYR A 41 -7.727 -3.494 10.703 1.00 71.14 C ATOM 508 CD1 TYR A 41 -7.936 -2.152 10.995 1.00 15.35 C ATOM 509 CD2 TYR A 41 -8.469 -4.064 9.675 1.00 34.44 C ATOM 510 CE1 TYR A 41 -8.853 -1.401 10.286 1.00 30.10 C ATOM 511 CE2 TYR A 41 -9.387 -3.320 8.960 1.00 72.32 C ATOM 512 CZ TYR A 41 -9.576 -1.989 9.269 1.00 60.12 C ATOM 513 OH TYR A 41 -10.491 -1.245 8.561 1.00 61.42 O ATOM 0 H TYR A 41 -4.563 -5.367 10.904 1.00 25.44 H new ATOM 0 HA TYR A 41 -5.391 -2.659 11.145 1.00 72.32 H new ATOM 0 HB2 TYR A 41 -6.550 -5.254 10.961 1.00 72.12 H new ATOM 0 HB3 TYR A 41 -7.147 -4.561 12.456 1.00 72.12 H new ATOM 0 HD1 TYR A 41 -7.372 -1.688 11.790 1.00 15.35 H new ATOM 0 HD2 TYR A 41 -8.325 -5.106 9.431 1.00 34.44 H new ATOM 0 HE1 TYR A 41 -9.003 -0.359 10.527 1.00 30.10 H new ATOM 0 HE2 TYR A 41 -9.954 -3.778 8.163 1.00 72.32 H new ATOM 0 HH TYR A 41 -10.914 -1.808 7.879 1.00 61.42 H new ATOM 523 N ALA A 42 -5.058 -4.363 13.968 1.00 31.04 N ATOM 524 CA ALA A 42 -4.852 -4.216 15.405 1.00 73.21 C ATOM 525 C ALA A 42 -3.605 -3.391 15.700 1.00 75.04 C ATOM 526 O ALA A 42 -3.517 -2.728 16.732 1.00 23.53 O ATOM 527 CB ALA A 42 -4.752 -5.583 16.065 1.00 0.44 C ATOM 0 H ALA A 42 -5.101 -5.329 13.644 1.00 31.04 H new ATOM 0 HA ALA A 42 -5.711 -3.687 15.818 1.00 73.21 H new ATOM 0 HB1 ALA A 42 -4.598 -5.459 17.137 1.00 0.44 H new ATOM 0 HB2 ALA A 42 -5.674 -6.139 15.892 1.00 0.44 H new ATOM 0 HB3 ALA A 42 -3.912 -6.132 15.639 1.00 0.44 H new ATOM 533 N ASN A 43 -2.641 -3.436 14.786 1.00 42.45 N ATOM 534 CA ASN A 43 -1.396 -2.693 14.949 1.00 74.54 C ATOM 535 C ASN A 43 -1.659 -1.190 14.973 1.00 3.41 C ATOM 536 O ASN A 43 -1.353 -0.511 15.953 1.00 30.41 O ATOM 537 CB ASN A 43 -0.422 -3.034 13.820 1.00 54.45 C ATOM 538 CG ASN A 43 0.792 -2.125 13.810 1.00 54.11 C ATOM 539 OD1 ASN A 43 1.488 -1.990 14.816 1.00 42.02 O ATOM 540 ND2 ASN A 43 1.051 -1.497 12.669 1.00 51.44 N ATOM 0 H ASN A 43 -2.698 -3.979 13.925 1.00 42.45 H new ATOM 0 HA ASN A 43 -0.952 -2.982 15.902 1.00 74.54 H new ATOM 0 HB2 ASN A 43 -0.097 -4.069 13.925 1.00 54.45 H new ATOM 0 HB3 ASN A 43 -0.938 -2.957 12.863 1.00 54.45 H new ATOM 0 HD21 ASN A 43 1.855 -0.873 12.602 1.00 51.44 H new ATOM 0 HD22 ASN A 43 0.446 -1.639 11.860 1.00 51.44 H new ATOM 547 N ASP A 44 -2.230 -0.679 13.887 1.00 5.30 N ATOM 548 CA ASP A 44 -2.535 0.744 13.784 1.00 32.04 C ATOM 549 C ASP A 44 -3.524 1.168 14.866 1.00 73.23 C ATOM 550 O ASP A 44 -3.490 2.301 15.340 1.00 40.51 O ATOM 551 CB ASP A 44 -3.105 1.064 12.402 1.00 34.12 C ATOM 552 CG ASP A 44 -3.042 2.545 12.078 1.00 41.22 C ATOM 553 OD1 ASP A 44 -4.102 3.132 11.774 1.00 52.11 O ATOM 554 OD2 ASP A 44 -1.933 3.116 12.131 1.00 14.33 O1- ATOM 0 H ASP A 44 -2.490 -1.227 13.067 1.00 5.30 H new ATOM 0 HA ASP A 44 -1.609 1.301 13.926 1.00 32.04 H new ATOM 0 HB2 ASP A 44 -2.552 0.506 11.646 1.00 34.12 H new ATOM 0 HB3 ASP A 44 -4.141 0.728 12.353 1.00 34.12 H new ATOM 559 N ASN A 45 -4.403 0.248 15.250 1.00 12.44 N ATOM 560 CA ASN A 45 -5.402 0.526 16.276 1.00 4.43 C ATOM 561 C ASN A 45 -4.780 0.480 17.668 1.00 2.54 C ATOM 562 O ASN A 45 -5.326 1.035 18.621 1.00 51.11 O ATOM 563 CB ASN A 45 -6.551 -0.479 16.184 1.00 32.43 C ATOM 564 CG ASN A 45 -7.587 -0.082 15.150 1.00 4.13 C ATOM 565 OD1 ASN A 45 -8.300 0.907 15.318 1.00 3.15 O ATOM 566 ND2 ASN A 45 -7.674 -0.853 14.073 1.00 1.22 N ATOM 0 H ASN A 45 -4.444 -0.696 14.866 1.00 12.44 H new ATOM 0 HA ASN A 45 -5.792 1.529 16.106 1.00 4.43 H new ATOM 0 HB2 ASN A 45 -6.151 -1.462 15.934 1.00 32.43 H new ATOM 0 HB3 ASN A 45 -7.031 -0.568 17.159 1.00 32.43 H new ATOM 0 HD21 ASN A 45 -8.352 -0.635 13.343 1.00 1.22 H new ATOM 0 HD22 ASN A 45 -7.063 -1.664 13.975 1.00 1.22 H new ATOM 573 N GLY A 46 -3.635 -0.186 17.777 1.00 12.14 N ATOM 574 CA GLY A 46 -2.957 -0.292 19.055 1.00 34.23 C ATOM 575 C GLY A 46 -3.260 -1.596 19.765 1.00 14.22 C ATOM 576 O GLY A 46 -2.552 -1.984 20.696 1.00 44.23 O ATOM 0 H GLY A 46 -3.165 -0.654 17.002 1.00 12.14 H new ATOM 0 HA2 GLY A 46 -1.881 -0.207 18.900 1.00 34.23 H new ATOM 0 HA3 GLY A 46 -3.254 0.542 19.691 1.00 34.23 H new ATOM 580 N LEU A 47 -4.314 -2.276 19.326 1.00 61.12 N ATOM 581 CA LEU A 47 -4.710 -3.545 19.928 1.00 50.34 C ATOM 582 C LEU A 47 -3.627 -4.602 19.732 1.00 21.24 C ATOM 583 O LEU A 47 -3.130 -4.798 18.624 1.00 61.41 O ATOM 584 CB LEU A 47 -6.026 -4.031 19.320 1.00 63.31 C ATOM 585 CG LEU A 47 -6.879 -4.942 20.204 1.00 52.14 C ATOM 586 CD1 LEU A 47 -6.143 -6.241 20.495 1.00 74.31 C ATOM 587 CD2 LEU A 47 -7.248 -4.236 21.500 1.00 23.14 C ATOM 0 H LEU A 47 -4.909 -1.970 18.556 1.00 61.12 H new ATOM 0 HA LEU A 47 -4.847 -3.384 20.997 1.00 50.34 H new ATOM 0 HB2 LEU A 47 -6.622 -3.159 19.050 1.00 63.31 H new ATOM 0 HB3 LEU A 47 -5.801 -4.563 18.395 1.00 63.31 H new ATOM 0 HG LEU A 47 -7.798 -5.179 19.669 1.00 52.14 H new ATOM 0 HD11 LEU A 47 -6.764 -6.878 21.125 1.00 74.31 H new ATOM 0 HD12 LEU A 47 -5.929 -6.756 19.558 1.00 74.31 H new ATOM 0 HD13 LEU A 47 -5.208 -6.022 21.010 1.00 74.31 H new ATOM 0 HD21 LEU A 47 -7.855 -4.900 22.116 1.00 23.14 H new ATOM 0 HD22 LEU A 47 -6.340 -3.969 22.040 1.00 23.14 H new ATOM 0 HD23 LEU A 47 -7.814 -3.333 21.274 1.00 23.14 H new ATOM 599 N ASP A 48 -3.267 -5.280 20.817 1.00 41.50 N ATOM 600 CA ASP A 48 -2.246 -6.319 20.765 1.00 71.25 C ATOM 601 C ASP A 48 -2.324 -7.219 21.994 1.00 33.24 C ATOM 602 O ASP A 48 -1.955 -6.816 23.097 1.00 23.12 O ATOM 603 CB ASP A 48 -0.854 -5.691 20.665 1.00 32.02 C ATOM 604 CG ASP A 48 0.250 -6.674 21.002 1.00 43.31 C ATOM 605 OD1 ASP A 48 0.353 -7.711 20.313 1.00 51.05 O ATOM 606 OD2 ASP A 48 1.010 -6.407 21.956 1.00 20.21 O1- ATOM 0 H ASP A 48 -3.667 -5.128 21.743 1.00 41.50 H new ATOM 0 HA ASP A 48 -2.426 -6.928 19.879 1.00 71.25 H new ATOM 0 HB2 ASP A 48 -0.702 -5.311 19.655 1.00 32.02 H new ATOM 0 HB3 ASP A 48 -0.795 -4.837 21.340 1.00 32.02 H new ATOM 611 N GLY A 49 -2.807 -8.442 21.796 1.00 72.11 N ATOM 612 CA GLY A 49 -2.926 -9.380 22.897 1.00 24.54 C ATOM 613 C GLY A 49 -2.496 -10.782 22.513 1.00 64.54 C ATOM 614 O GLY A 49 -1.778 -10.971 21.532 1.00 62.11 O ATOM 0 H GLY A 49 -3.118 -8.800 20.893 1.00 72.11 H new ATOM 0 HA2 GLY A 49 -2.319 -9.033 23.733 1.00 24.54 H new ATOM 0 HA3 GLY A 49 -3.960 -9.402 23.242 1.00 24.54 H new ATOM 618 N GLU A 50 -2.936 -11.768 23.289 1.00 52.02 N ATOM 619 CA GLU A 50 -2.589 -13.159 23.026 1.00 15.21 C ATOM 620 C GLU A 50 -3.478 -13.743 21.931 1.00 31.01 C ATOM 621 O GLU A 50 -4.685 -13.897 22.114 1.00 61.11 O ATOM 622 CB GLU A 50 -2.721 -13.992 24.302 1.00 44.30 C ATOM 623 CG GLU A 50 -1.862 -15.244 24.304 1.00 60.44 C ATOM 624 CD GLU A 50 -0.442 -14.978 24.765 1.00 1.31 C ATOM 625 OE1 GLU A 50 -0.224 -14.892 25.992 1.00 3.43 O ATOM 626 OE2 GLU A 50 0.449 -14.855 23.899 1.00 43.11 O1- ATOM 0 H GLU A 50 -3.533 -11.629 24.104 1.00 52.02 H new ATOM 0 HA GLU A 50 -1.554 -13.190 22.686 1.00 15.21 H new ATOM 0 HB2 GLU A 50 -2.450 -13.374 25.158 1.00 44.30 H new ATOM 0 HB3 GLU A 50 -3.765 -14.278 24.433 1.00 44.30 H new ATOM 0 HG2 GLU A 50 -2.317 -15.991 24.954 1.00 60.44 H new ATOM 0 HG3 GLU A 50 -1.841 -15.667 23.300 1.00 60.44 H new ATOM 633 N TRP A 51 -2.871 -14.065 20.795 1.00 22.25 N ATOM 634 CA TRP A 51 -3.608 -14.632 19.669 1.00 3.53 C ATOM 635 C TRP A 51 -3.817 -16.130 19.855 1.00 52.30 C ATOM 636 O TRP A 51 -2.870 -16.873 20.113 1.00 43.35 O ATOM 637 CB TRP A 51 -2.862 -14.367 18.360 1.00 70.20 C ATOM 638 CG TRP A 51 -2.675 -12.909 18.067 1.00 11.21 C ATOM 639 CD1 TRP A 51 -1.794 -12.058 18.671 1.00 21.04 C ATOM 640 CD2 TRP A 51 -3.387 -12.131 17.099 1.00 24.13 C ATOM 641 NE1 TRP A 51 -1.917 -10.798 18.136 1.00 12.23 N ATOM 642 CE2 TRP A 51 -2.886 -10.817 17.169 1.00 72.44 C ATOM 643 CE3 TRP A 51 -4.398 -12.418 16.177 1.00 41.00 C ATOM 644 CZ2 TRP A 51 -3.363 -9.795 16.354 1.00 5.32 C ATOM 645 CZ3 TRP A 51 -4.870 -11.402 15.369 1.00 73.12 C ATOM 646 CH2 TRP A 51 -4.353 -10.103 15.461 1.00 32.25 C ATOM 0 H TRP A 51 -1.872 -13.944 20.628 1.00 22.25 H new ATOM 0 HA TRP A 51 -4.585 -14.150 19.626 1.00 3.53 H new ATOM 0 HB2 TRP A 51 -1.886 -14.850 18.403 1.00 70.20 H new ATOM 0 HB3 TRP A 51 -3.410 -14.828 17.538 1.00 70.20 H new ATOM 0 HD1 TRP A 51 -1.103 -12.334 19.453 1.00 21.04 H new ATOM 0 HE1 TRP A 51 -1.374 -9.981 18.414 1.00 12.23 H new ATOM 0 HE3 TRP A 51 -4.803 -13.416 16.098 1.00 41.00 H new ATOM 0 HZ2 TRP A 51 -2.966 -8.793 16.424 1.00 5.32 H new ATOM 0 HZ3 TRP A 51 -5.651 -11.613 14.654 1.00 73.12 H new ATOM 0 HH2 TRP A 51 -4.743 -9.330 14.815 1.00 32.25 H new ATOM 657 N THR A 52 -5.065 -16.570 19.722 1.00 25.31 N ATOM 658 CA THR A 52 -5.399 -17.980 19.877 1.00 32.12 C ATOM 659 C THR A 52 -5.514 -18.669 18.522 1.00 23.50 C ATOM 660 O THR A 52 -6.034 -18.095 17.566 1.00 42.31 O ATOM 661 CB THR A 52 -6.720 -18.163 20.648 1.00 43.23 C ATOM 662 OG1 THR A 52 -7.827 -17.802 19.816 1.00 31.45 O ATOM 663 CG2 THR A 52 -6.731 -17.316 21.911 1.00 51.40 C ATOM 0 H THR A 52 -5.861 -15.969 19.507 1.00 25.31 H new ATOM 0 HA THR A 52 -4.589 -18.437 20.446 1.00 32.12 H new ATOM 0 HB THR A 52 -6.807 -19.212 20.932 1.00 43.23 H new ATOM 0 HG1 THR A 52 -7.676 -16.910 19.440 1.00 31.45 H new ATOM 0 HG21 THR A 52 -7.674 -17.462 22.439 1.00 51.40 H new ATOM 0 HG22 THR A 52 -5.904 -17.614 22.556 1.00 51.40 H new ATOM 0 HG23 THR A 52 -6.623 -16.265 21.645 1.00 51.40 H new ATOM 671 N TYR A 53 -5.028 -19.903 18.448 1.00 31.12 N ATOM 672 CA TYR A 53 -5.076 -20.670 17.209 1.00 61.23 C ATOM 673 C TYR A 53 -5.701 -22.042 17.441 1.00 61.54 C ATOM 674 O TYR A 53 -5.293 -22.778 18.340 1.00 61.35 O ATOM 675 CB TYR A 53 -3.669 -20.829 16.629 1.00 72.30 C ATOM 676 CG TYR A 53 -2.869 -19.547 16.620 1.00 22.11 C ATOM 677 CD1 TYR A 53 -1.546 -19.528 17.047 1.00 3.50 C ATOM 678 CD2 TYR A 53 -3.434 -18.354 16.187 1.00 13.20 C ATOM 679 CE1 TYR A 53 -0.811 -18.358 17.042 1.00 0.53 C ATOM 680 CE2 TYR A 53 -2.707 -17.181 16.177 1.00 32.52 C ATOM 681 CZ TYR A 53 -1.395 -17.188 16.606 1.00 34.41 C ATOM 682 OH TYR A 53 -0.667 -16.019 16.599 1.00 61.53 O ATOM 0 H TYR A 53 -4.596 -20.393 19.231 1.00 31.12 H new ATOM 0 HA TYR A 53 -5.696 -20.125 16.497 1.00 61.23 H new ATOM 0 HB2 TYR A 53 -3.130 -21.580 17.207 1.00 72.30 H new ATOM 0 HB3 TYR A 53 -3.746 -21.206 15.609 1.00 72.30 H new ATOM 0 HD1 TYR A 53 -1.085 -20.443 17.388 1.00 3.50 H new ATOM 0 HD2 TYR A 53 -4.461 -18.344 15.852 1.00 13.20 H new ATOM 0 HE1 TYR A 53 0.215 -18.360 17.378 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -3.162 -16.263 15.836 1.00 32.52 H new ATOM 0 HH TYR A 53 -0.615 -15.671 15.684 1.00 61.53 H new ATOM 692 N ASP A 54 -6.693 -22.379 16.624 1.00 22.23 N ATOM 693 CA ASP A 54 -7.375 -23.663 16.738 1.00 11.23 C ATOM 694 C ASP A 54 -7.642 -24.260 15.360 1.00 75.11 C ATOM 695 O ASP A 54 -8.460 -23.745 14.598 1.00 25.21 O ATOM 696 CB ASP A 54 -8.689 -23.500 17.501 1.00 12.50 C ATOM 697 CG ASP A 54 -8.510 -22.764 18.814 1.00 24.30 C ATOM 698 OD1 ASP A 54 -7.760 -23.265 19.678 1.00 51.42 O ATOM 699 OD2 ASP A 54 -9.118 -21.685 18.977 1.00 52.31 O1- ATOM 0 H ASP A 54 -7.043 -21.781 15.876 1.00 22.23 H new ATOM 0 HA ASP A 54 -6.727 -24.344 17.289 1.00 11.23 H new ATOM 0 HB2 ASP A 54 -9.402 -22.959 16.879 1.00 12.50 H new ATOM 0 HB3 ASP A 54 -9.117 -24.483 17.695 1.00 12.50 H new ATOM 704 N ASP A 55 -6.947 -25.348 15.047 1.00 61.14 N ATOM 705 CA ASP A 55 -7.109 -26.015 13.760 1.00 15.41 C ATOM 706 C ASP A 55 -8.304 -26.962 13.787 1.00 54.22 C ATOM 707 O ASP A 55 -8.957 -27.183 12.767 1.00 53.13 O ATOM 708 CB ASP A 55 -5.839 -26.786 13.398 1.00 72.40 C ATOM 709 CG ASP A 55 -5.785 -27.156 11.929 1.00 40.24 C ATOM 710 OD1 ASP A 55 -4.710 -27.588 11.465 1.00 60.04 O ATOM 711 OD2 ASP A 55 -6.820 -27.015 11.244 1.00 31.01 O1- ATOM 0 H ASP A 55 -6.266 -25.787 15.667 1.00 61.14 H new ATOM 0 HA ASP A 55 -7.289 -25.252 13.002 1.00 15.41 H new ATOM 0 HB2 ASP A 55 -4.967 -26.183 13.650 1.00 72.40 H new ATOM 0 HB3 ASP A 55 -5.784 -27.693 14.000 1.00 72.40 H new ATOM 716 N ALA A 56 -8.585 -27.520 14.960 1.00 41.02 N ATOM 717 CA ALA A 56 -9.703 -28.443 15.119 1.00 35.42 C ATOM 718 C ALA A 56 -11.027 -27.761 14.798 1.00 70.40 C ATOM 719 O ALA A 56 -11.983 -28.408 14.365 1.00 45.11 O ATOM 720 CB ALA A 56 -9.725 -29.005 16.533 1.00 42.53 C ATOM 0 H ALA A 56 -8.054 -27.349 15.814 1.00 41.02 H new ATOM 0 HA ALA A 56 -9.568 -29.264 14.415 1.00 35.42 H new ATOM 0 HB1 ALA A 56 -10.564 -29.692 16.638 1.00 42.53 H new ATOM 0 HB2 ALA A 56 -8.794 -29.537 16.728 1.00 42.53 H new ATOM 0 HB3 ALA A 56 -9.833 -28.189 17.247 1.00 42.53 H new ATOM 726 N THR A 57 -11.081 -26.450 15.012 1.00 30.04 N ATOM 727 CA THR A 57 -12.290 -25.680 14.746 1.00 23.02 C ATOM 728 C THR A 57 -12.076 -24.699 13.599 1.00 43.21 C ATOM 729 O THR A 57 -13.033 -24.240 12.975 1.00 51.43 O ATOM 730 CB THR A 57 -12.745 -24.901 15.995 1.00 64.35 C ATOM 731 OG1 THR A 57 -11.871 -23.792 16.226 1.00 15.34 O ATOM 732 CG2 THR A 57 -12.761 -25.804 17.219 1.00 2.22 C ATOM 0 H THR A 57 -10.301 -25.899 15.369 1.00 30.04 H new ATOM 0 HA THR A 57 -13.066 -26.394 14.469 1.00 23.02 H new ATOM 0 HB THR A 57 -13.757 -24.535 15.819 1.00 64.35 H new ATOM 0 HG1 THR A 57 -12.208 -23.005 15.749 1.00 15.34 H new ATOM 0 HG21 THR A 57 -13.085 -25.232 18.089 1.00 2.22 H new ATOM 0 HG22 THR A 57 -13.450 -26.632 17.051 1.00 2.22 H new ATOM 0 HG23 THR A 57 -11.759 -26.196 17.395 1.00 2.22 H new ATOM 740 N LYS A 58 -10.816 -24.382 13.325 1.00 5.52 N ATOM 741 CA LYS A 58 -10.476 -23.456 12.251 1.00 43.24 C ATOM 742 C LYS A 58 -11.035 -22.066 12.533 1.00 1.52 C ATOM 743 O LYS A 58 -11.627 -21.433 11.657 1.00 61.54 O ATOM 744 CB LYS A 58 -11.014 -23.973 10.915 1.00 22.53 C ATOM 745 CG LYS A 58 -10.668 -25.427 10.641 1.00 4.02 C ATOM 746 CD LYS A 58 -9.187 -25.601 10.347 1.00 42.13 C ATOM 747 CE LYS A 58 -8.832 -25.104 8.954 1.00 42.34 C ATOM 748 NZ LYS A 58 -9.364 -26.002 7.892 1.00 70.32 N1+ ATOM 0 H LYS A 58 -10.012 -24.753 13.832 1.00 5.52 H new ATOM 0 HA LYS A 58 -9.390 -23.386 12.196 1.00 43.24 H new ATOM 0 HB2 LYS A 58 -12.098 -23.857 10.900 1.00 22.53 H new ATOM 0 HB3 LYS A 58 -10.616 -23.356 10.109 1.00 22.53 H new ATOM 0 HG2 LYS A 58 -10.943 -26.036 11.502 1.00 4.02 H new ATOM 0 HG3 LYS A 58 -11.253 -25.788 9.795 1.00 4.02 H new ATOM 0 HD2 LYS A 58 -8.602 -25.057 11.088 1.00 42.13 H new ATOM 0 HD3 LYS A 58 -8.918 -26.653 10.438 1.00 42.13 H new ATOM 0 HE2 LYS A 58 -9.232 -24.100 8.814 1.00 42.34 H new ATOM 0 HE3 LYS A 58 -7.749 -25.032 8.859 1.00 42.34 H new ATOM 0 HZ1 LYS A 58 -8.924 -25.761 6.981 1.00 70.32 H new ATOM 0 HZ2 LYS A 58 -9.145 -26.990 8.131 1.00 70.32 H new ATOM 0 HZ3 LYS A 58 -10.395 -25.883 7.821 1.00 70.32 H new ATOM 762 N THR A 59 -10.844 -21.594 13.761 1.00 13.45 N ATOM 763 CA THR A 59 -11.329 -20.279 14.158 1.00 21.01 C ATOM 764 C THR A 59 -10.275 -19.521 14.958 1.00 11.23 C ATOM 765 O THR A 59 -9.668 -20.070 15.878 1.00 63.41 O ATOM 766 CB THR A 59 -12.616 -20.384 14.998 1.00 70.22 C ATOM 767 OG1 THR A 59 -13.427 -21.462 14.518 1.00 72.43 O ATOM 768 CG2 THR A 59 -13.407 -19.085 14.944 1.00 64.22 C ATOM 0 H THR A 59 -10.356 -22.104 14.498 1.00 13.45 H new ATOM 0 HA THR A 59 -11.546 -19.733 13.240 1.00 21.01 H new ATOM 0 HB THR A 59 -12.333 -20.575 16.033 1.00 70.22 H new ATOM 0 HG1 THR A 59 -14.243 -21.523 15.058 1.00 72.43 H new ATOM 0 HG21 THR A 59 -14.311 -19.184 15.545 1.00 64.22 H new ATOM 0 HG22 THR A 59 -12.798 -18.271 15.337 1.00 64.22 H new ATOM 0 HG23 THR A 59 -13.680 -18.868 13.911 1.00 64.22 H new ATOM 776 N PHE A 60 -10.062 -18.260 14.602 1.00 40.21 N ATOM 777 CA PHE A 60 -9.081 -17.427 15.287 1.00 72.32 C ATOM 778 C PHE A 60 -9.759 -16.501 16.292 1.00 20.51 C ATOM 779 O PHE A 60 -10.914 -16.112 16.115 1.00 43.12 O ATOM 780 CB PHE A 60 -8.284 -16.602 14.274 1.00 21.54 C ATOM 781 CG PHE A 60 -7.193 -17.380 13.594 1.00 54.41 C ATOM 782 CD1 PHE A 60 -5.865 -17.017 13.749 1.00 24.42 C ATOM 783 CD2 PHE A 60 -7.497 -18.473 12.798 1.00 32.55 C ATOM 784 CE1 PHE A 60 -4.859 -17.731 13.124 1.00 25.12 C ATOM 785 CE2 PHE A 60 -6.495 -19.191 12.172 1.00 70.10 C ATOM 786 CZ PHE A 60 -5.175 -18.818 12.334 1.00 54.13 C ATOM 0 H PHE A 60 -10.556 -17.791 13.842 1.00 40.21 H new ATOM 0 HA PHE A 60 -8.399 -18.084 15.827 1.00 72.32 H new ATOM 0 HB2 PHE A 60 -8.966 -16.211 13.519 1.00 21.54 H new ATOM 0 HB3 PHE A 60 -7.845 -15.743 14.782 1.00 21.54 H new ATOM 0 HD1 PHE A 60 -5.612 -16.167 14.365 1.00 24.42 H new ATOM 0 HD2 PHE A 60 -8.528 -18.767 12.665 1.00 32.55 H new ATOM 0 HE1 PHE A 60 -3.827 -17.439 13.254 1.00 25.12 H new ATOM 0 HE2 PHE A 60 -6.744 -20.043 11.557 1.00 70.10 H new ATOM 0 HZ PHE A 60 -4.391 -19.376 11.843 1.00 54.13 H new ATOM 796 N THR A 61 -9.032 -16.151 17.349 1.00 13.13 N ATOM 797 CA THR A 61 -9.564 -15.272 18.384 1.00 24.22 C ATOM 798 C THR A 61 -8.455 -14.445 19.025 1.00 31.40 C ATOM 799 O THR A 61 -7.295 -14.857 19.050 1.00 13.31 O ATOM 800 CB THR A 61 -10.292 -16.072 19.481 1.00 2.14 C ATOM 801 OG1 THR A 61 -10.861 -17.262 18.925 1.00 63.12 O ATOM 802 CG2 THR A 61 -11.386 -15.234 20.126 1.00 33.02 C ATOM 0 H THR A 61 -8.074 -16.462 17.511 1.00 13.13 H new ATOM 0 HA THR A 61 -10.276 -14.606 17.898 1.00 24.22 H new ATOM 0 HB THR A 61 -9.564 -16.342 20.246 1.00 2.14 H new ATOM 0 HG1 THR A 61 -11.320 -17.765 19.630 1.00 63.12 H new ATOM 0 HG21 THR A 61 -11.886 -15.820 20.897 1.00 33.02 H new ATOM 0 HG22 THR A 61 -10.945 -14.344 20.575 1.00 33.02 H new ATOM 0 HG23 THR A 61 -12.111 -14.937 19.368 1.00 33.02 H new ATOM 810 N ILE A 62 -8.819 -13.277 19.543 1.00 1.52 N ATOM 811 CA ILE A 62 -7.854 -12.393 20.185 1.00 70.34 C ATOM 812 C ILE A 62 -8.454 -11.728 21.420 1.00 43.52 C ATOM 813 O ILE A 62 -9.495 -11.075 21.343 1.00 0.25 O ATOM 814 CB ILE A 62 -7.359 -11.301 19.218 1.00 1.43 C ATOM 815 CG1 ILE A 62 -6.371 -10.372 19.926 1.00 62.02 C ATOM 816 CG2 ILE A 62 -8.536 -10.511 18.665 1.00 21.42 C ATOM 817 CD1 ILE A 62 -5.702 -9.382 18.998 1.00 54.41 C ATOM 0 H ILE A 62 -9.775 -12.921 19.531 1.00 1.52 H new ATOM 0 HA ILE A 62 -7.009 -13.013 20.483 1.00 70.34 H new ATOM 0 HB ILE A 62 -6.844 -11.779 18.385 1.00 1.43 H new ATOM 0 HG12 ILE A 62 -6.896 -9.826 20.710 1.00 62.02 H new ATOM 0 HG13 ILE A 62 -5.605 -10.974 20.415 1.00 62.02 H new ATOM 0 HG21 ILE A 62 -8.171 -9.743 17.983 1.00 21.42 H new ATOM 0 HG22 ILE A 62 -9.206 -11.183 18.129 1.00 21.42 H new ATOM 0 HG23 ILE A 62 -9.076 -10.040 19.486 1.00 21.42 H new ATOM 0 HD11 ILE A 62 -5.015 -8.756 19.568 1.00 54.41 H new ATOM 0 HD12 ILE A 62 -5.149 -9.921 18.229 1.00 54.41 H new ATOM 0 HD13 ILE A 62 -6.459 -8.755 18.528 1.00 54.41 H new ATOM 829 N THR A 63 -7.790 -11.898 22.559 1.00 50.32 N ATOM 830 CA THR A 63 -8.257 -11.314 23.810 1.00 71.11 C ATOM 831 C THR A 63 -7.246 -10.316 24.361 1.00 75.02 C ATOM 832 O THR A 63 -6.039 -10.548 24.310 1.00 71.14 O ATOM 833 CB THR A 63 -8.521 -12.399 24.872 1.00 34.12 C ATOM 834 OG1 THR A 63 -7.589 -13.475 24.715 1.00 3.13 O ATOM 835 CG2 THR A 63 -9.942 -12.932 24.759 1.00 12.23 C ATOM 0 H THR A 63 -6.927 -12.436 22.641 1.00 50.32 H new ATOM 0 HA THR A 63 -9.191 -10.797 23.589 1.00 71.11 H new ATOM 0 HB THR A 63 -8.395 -11.950 25.857 1.00 34.12 H new ATOM 0 HG1 THR A 63 -7.762 -14.160 25.395 1.00 3.13 H new ATOM 0 HG21 THR A 63 -10.105 -13.697 25.519 1.00 12.23 H new ATOM 0 HG22 THR A 63 -10.649 -12.116 24.907 1.00 12.23 H new ATOM 0 HG23 THR A 63 -10.090 -13.366 23.770 1.00 12.23 H new ATOM 843 N GLU A 64 -7.749 -9.204 24.889 1.00 0.03 N ATOM 844 CA GLU A 64 -6.888 -8.169 25.450 1.00 64.34 C ATOM 845 C GLU A 64 -7.260 -7.878 26.901 1.00 63.24 C ATOM 846 O GLU A 64 -6.438 -8.025 27.805 1.00 41.45 O ATOM 847 CB GLU A 64 -6.987 -6.886 24.621 1.00 40.12 C ATOM 848 CG GLU A 64 -5.715 -6.055 24.632 1.00 63.30 C ATOM 849 CD GLU A 64 -5.273 -5.684 26.034 1.00 22.21 C ATOM 850 OE1 GLU A 64 -5.991 -4.905 26.695 1.00 64.13 O ATOM 851 OE2 GLU A 64 -4.210 -6.172 26.470 1.00 35.24 O1- ATOM 0 H GLU A 64 -8.747 -8.997 24.940 1.00 0.03 H new ATOM 0 HA GLU A 64 -5.861 -8.534 25.422 1.00 64.34 H new ATOM 0 HB2 GLU A 64 -7.232 -7.147 23.591 1.00 40.12 H new ATOM 0 HB3 GLU A 64 -7.810 -6.281 25.001 1.00 40.12 H new ATOM 0 HG2 GLU A 64 -4.918 -6.611 24.139 1.00 63.30 H new ATOM 0 HG3 GLU A 64 -5.875 -5.146 24.053 1.00 63.30 H new TER 858 GLU A 64