USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -140:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -8.58! C(o=-8.6!,f=-13!) USER MOD Single : A 22 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.071) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -25:sc= 0.00473 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0624 K(o=-0.062,f=-1.3!) USER MOD Single : A 45 TYR OH : rot -162:sc= -1.57 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.625 K(o=0.62,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.226 5.795 0.307 1.00 41.02 N ATOM 2 CA GLY A 1 -3.783 5.072 -0.871 1.00 21.43 C ATOM 3 C GLY A 1 -4.391 5.616 -2.148 1.00 63.32 C ATOM 4 O GLY A 1 -5.612 5.703 -2.273 1.00 64.15 O ATOM 0 H1 GLY A 1 -3.782 5.385 1.153 1.00 41.02 H new ATOM 0 H2 GLY A 1 -3.953 6.795 0.223 1.00 41.02 H new ATOM 0 H3 GLY A 1 -5.260 5.724 0.389 1.00 41.02 H new ATOM 0 HA2 GLY A 1 -2.696 5.125 -0.938 1.00 21.43 H new ATOM 0 HA3 GLY A 1 -4.045 4.019 -0.767 1.00 21.43 H new ATOM 8 N GLU A 2 -3.537 5.984 -3.098 1.00 63.12 N ATOM 9 CA GLU A 2 -3.998 6.525 -4.371 1.00 60.13 C ATOM 10 C GLU A 2 -3.141 6.009 -5.524 1.00 11.51 C ATOM 11 O GLU A 2 -1.915 6.121 -5.498 1.00 10.12 O ATOM 12 CB GLU A 2 -3.966 8.054 -4.342 1.00 55.42 C ATOM 13 CG GLU A 2 -5.004 8.667 -3.417 1.00 11.14 C ATOM 14 CD GLU A 2 -6.407 8.601 -3.988 1.00 51.31 C ATOM 15 OE1 GLU A 2 -6.538 8.437 -5.219 1.00 73.22 O ATOM 16 OE2 GLU A 2 -7.373 8.715 -3.205 1.00 72.52 O ATOM 0 H GLU A 2 -2.523 5.917 -3.010 1.00 63.12 H new ATOM 0 HA GLU A 2 -5.024 6.193 -4.527 1.00 60.13 H new ATOM 0 HB2 GLU A 2 -2.975 8.382 -4.030 1.00 55.42 H new ATOM 0 HB3 GLU A 2 -4.124 8.432 -5.352 1.00 55.42 H new ATOM 0 HG2 GLU A 2 -4.981 8.149 -2.458 1.00 11.14 H new ATOM 0 HG3 GLU A 2 -4.743 9.708 -3.224 1.00 11.14 H new ATOM 23 N ILE A 3 -3.795 5.445 -6.533 1.00 73.22 N ATOM 24 CA ILE A 3 -3.094 4.913 -7.695 1.00 72.30 C ATOM 25 C ILE A 3 -2.960 5.968 -8.787 1.00 41.51 C ATOM 26 O ILE A 3 -3.846 6.126 -9.627 1.00 34.40 O ATOM 27 CB ILE A 3 -3.816 3.681 -8.273 1.00 53.31 C ATOM 28 CG1 ILE A 3 -3.952 2.594 -7.205 1.00 4.20 C ATOM 29 CG2 ILE A 3 -3.068 3.149 -9.486 1.00 41.52 C ATOM 30 CD1 ILE A 3 -4.864 1.458 -7.611 1.00 63.14 C ATOM 0 H ILE A 3 -4.809 5.344 -6.570 1.00 73.22 H new ATOM 0 HA ILE A 3 -2.101 4.617 -7.356 1.00 72.30 H new ATOM 0 HB ILE A 3 -4.815 3.980 -8.589 1.00 53.31 H new ATOM 0 HG12 ILE A 3 -2.964 2.193 -6.979 1.00 4.20 H new ATOM 0 HG13 ILE A 3 -4.331 3.043 -6.287 1.00 4.20 H new ATOM 0 HG21 ILE A 3 -3.591 2.279 -9.883 1.00 41.52 H new ATOM 0 HG22 ILE A 3 -3.019 3.923 -10.252 1.00 41.52 H new ATOM 0 HG23 ILE A 3 -2.057 2.863 -9.194 1.00 41.52 H new ATOM 0 HD11 ILE A 3 -4.913 0.725 -6.806 1.00 63.14 H new ATOM 0 HD12 ILE A 3 -5.863 1.846 -7.809 1.00 63.14 H new ATOM 0 HD13 ILE A 3 -4.475 0.983 -8.511 1.00 63.14 H new ATOM 42 N LYS A 4 -1.844 6.690 -8.771 1.00 71.31 N ATOM 43 CA LYS A 4 -1.590 7.729 -9.761 1.00 51.34 C ATOM 44 C LYS A 4 -0.902 7.151 -10.993 1.00 63.44 C ATOM 45 O LYS A 4 -0.007 6.314 -10.881 1.00 21.11 O ATOM 46 CB LYS A 4 -0.728 8.839 -9.156 1.00 44.12 C ATOM 47 CG LYS A 4 0.640 8.364 -8.696 1.00 13.11 C ATOM 48 CD LYS A 4 1.534 9.530 -8.309 1.00 40.11 C ATOM 49 CE LYS A 4 1.208 10.044 -6.915 1.00 53.44 C ATOM 50 NZ LYS A 4 2.013 9.357 -5.868 1.00 15.01 N ATOM 0 H LYS A 4 -1.101 6.574 -8.082 1.00 71.31 H new ATOM 0 HA LYS A 4 -2.549 8.147 -10.066 1.00 51.34 H new ATOM 0 HB2 LYS A 4 -0.599 9.631 -9.894 1.00 44.12 H new ATOM 0 HB3 LYS A 4 -1.256 9.276 -8.308 1.00 44.12 H new ATOM 0 HG2 LYS A 4 0.526 7.694 -7.844 1.00 13.11 H new ATOM 0 HG3 LYS A 4 1.114 7.790 -9.492 1.00 13.11 H new ATOM 0 HD2 LYS A 4 2.578 9.218 -8.348 1.00 40.11 H new ATOM 0 HD3 LYS A 4 1.415 10.337 -9.032 1.00 40.11 H new ATOM 0 HE2 LYS A 4 1.395 11.117 -6.871 1.00 53.44 H new ATOM 0 HE3 LYS A 4 0.147 9.896 -6.712 1.00 53.44 H new ATOM 0 HZ1 LYS A 4 1.761 9.736 -4.933 1.00 15.01 H new ATOM 0 HZ2 LYS A 4 1.816 8.336 -5.893 1.00 15.01 H new ATOM 0 HZ3 LYS A 4 3.025 9.519 -6.046 1.00 15.01 H new ATOM 64 N GLY A 5 -1.325 7.604 -12.170 1.00 22.51 N ATOM 65 CA GLY A 5 -0.737 7.120 -13.406 1.00 1.54 C ATOM 66 C GLY A 5 -1.781 6.774 -14.448 1.00 35.10 C ATOM 67 O GLY A 5 -2.720 6.026 -14.171 1.00 42.44 O ATOM 0 H GLY A 5 -2.064 8.297 -12.289 1.00 22.51 H new ATOM 0 HA2 GLY A 5 -0.066 7.879 -13.807 1.00 1.54 H new ATOM 0 HA3 GLY A 5 -0.132 6.238 -13.196 1.00 1.54 H new ATOM 71 N ARG A 6 -1.620 7.319 -15.649 1.00 53.31 N ATOM 72 CA ARG A 6 -2.559 7.066 -16.736 1.00 21.25 C ATOM 73 C ARG A 6 -1.865 6.368 -17.902 1.00 1.31 C ATOM 74 O ARG A 6 -2.485 5.601 -18.639 1.00 0.22 O ATOM 75 CB ARG A 6 -3.187 8.377 -17.212 1.00 23.10 C ATOM 76 CG ARG A 6 -3.815 9.193 -16.094 1.00 43.00 C ATOM 77 CD ARG A 6 -4.910 10.108 -16.620 1.00 4.13 C ATOM 78 NE ARG A 6 -4.364 11.292 -17.278 1.00 51.03 N ATOM 79 CZ ARG A 6 -5.113 12.293 -17.729 1.00 65.42 C ATOM 80 NH1 ARG A 6 -6.431 12.253 -17.593 1.00 23.52 N ATOM 81 NH2 ARG A 6 -4.542 13.336 -18.317 1.00 54.35 N ATOM 0 H ARG A 6 -0.848 7.939 -15.894 1.00 53.31 H new ATOM 0 HA ARG A 6 -3.345 6.411 -16.359 1.00 21.25 H new ATOM 0 HB2 ARG A 6 -2.423 8.978 -17.704 1.00 23.10 H new ATOM 0 HB3 ARG A 6 -3.948 8.155 -17.960 1.00 23.10 H new ATOM 0 HG2 ARG A 6 -4.230 8.522 -15.341 1.00 43.00 H new ATOM 0 HG3 ARG A 6 -3.047 9.789 -15.601 1.00 43.00 H new ATOM 0 HD2 ARG A 6 -5.535 9.558 -17.323 1.00 4.13 H new ATOM 0 HD3 ARG A 6 -5.553 10.416 -15.795 1.00 4.13 H new ATOM 0 HE ARG A 6 -3.353 11.354 -17.398 1.00 51.03 H new ATOM 0 HH11 ARG A 6 -6.873 11.452 -17.141 1.00 23.52 H new ATOM 0 HH12 ARG A 6 -7.003 13.023 -17.940 1.00 23.52 H new ATOM 0 HH21 ARG A 6 -3.528 13.370 -18.423 1.00 54.35 H new ATOM 0 HH22 ARG A 6 -5.117 14.104 -18.663 1.00 54.35 H new ATOM 95 N LYS A 7 -0.575 6.640 -18.064 1.00 45.30 N ATOM 96 CA LYS A 7 0.205 6.039 -19.140 1.00 3.44 C ATOM 97 C LYS A 7 1.486 5.412 -18.598 1.00 72.01 C ATOM 98 O LYS A 7 1.840 5.603 -17.434 1.00 52.11 O ATOM 99 CB LYS A 7 0.548 7.091 -20.198 1.00 33.43 C ATOM 100 CG LYS A 7 1.589 8.097 -19.740 1.00 41.34 C ATOM 101 CD LYS A 7 1.503 9.389 -20.535 1.00 54.34 C ATOM 102 CE LYS A 7 2.229 10.526 -19.833 1.00 23.23 C ATOM 103 NZ LYS A 7 3.694 10.273 -19.738 1.00 51.45 N ATOM 0 H LYS A 7 -0.047 7.273 -17.464 1.00 45.30 H new ATOM 0 HA LYS A 7 -0.398 5.255 -19.598 1.00 3.44 H new ATOM 0 HB2 LYS A 7 0.911 6.588 -21.094 1.00 33.43 H new ATOM 0 HB3 LYS A 7 -0.361 7.623 -20.477 1.00 33.43 H new ATOM 0 HG2 LYS A 7 1.448 8.311 -18.680 1.00 41.34 H new ATOM 0 HG3 LYS A 7 2.585 7.667 -19.849 1.00 41.34 H new ATOM 0 HD2 LYS A 7 1.934 9.237 -21.525 1.00 54.34 H new ATOM 0 HD3 LYS A 7 0.457 9.659 -20.680 1.00 54.34 H new ATOM 0 HE2 LYS A 7 2.055 11.457 -20.373 1.00 23.23 H new ATOM 0 HE3 LYS A 7 1.817 10.657 -18.832 1.00 23.23 H new ATOM 0 HZ1 LYS A 7 4.153 11.070 -19.253 1.00 51.45 H new ATOM 0 HZ2 LYS A 7 3.861 9.398 -19.201 1.00 51.45 H new ATOM 0 HZ3 LYS A 7 4.092 10.173 -20.694 1.00 51.45 H new ATOM 117 N THR A 8 2.179 4.663 -19.450 1.00 73.42 N ATOM 118 CA THR A 8 3.420 4.008 -19.057 1.00 71.44 C ATOM 119 C THR A 8 4.480 4.141 -20.145 1.00 31.22 C ATOM 120 O THR A 8 4.172 4.482 -21.288 1.00 2.34 O ATOM 121 CB THR A 8 3.196 2.514 -18.755 1.00 74.13 C ATOM 122 OG1 THR A 8 2.248 1.964 -19.678 1.00 2.33 O ATOM 123 CG2 THR A 8 2.697 2.319 -17.332 1.00 33.25 C ATOM 0 H THR A 8 1.901 4.495 -20.417 1.00 73.42 H new ATOM 0 HA THR A 8 3.767 4.506 -18.152 1.00 71.44 H new ATOM 0 HB THR A 8 4.150 1.997 -18.863 1.00 74.13 H new ATOM 0 HG1 THR A 8 1.651 1.347 -19.205 1.00 2.33 H new ATOM 0 HG21 THR A 8 2.546 1.256 -17.142 1.00 33.25 H new ATOM 0 HG22 THR A 8 3.433 2.712 -16.631 1.00 33.25 H new ATOM 0 HG23 THR A 8 1.753 2.849 -17.202 1.00 33.25 H new ATOM 131 N LEU A 9 5.729 3.869 -19.783 1.00 71.23 N ATOM 132 CA LEU A 9 6.836 3.958 -20.729 1.00 72.44 C ATOM 133 C LEU A 9 6.970 2.668 -21.533 1.00 0.11 C ATOM 134 O LEU A 9 7.733 1.774 -21.168 1.00 12.12 O ATOM 135 CB LEU A 9 8.143 4.249 -19.990 1.00 14.43 C ATOM 136 CG LEU A 9 8.538 5.723 -19.881 1.00 71.53 C ATOM 137 CD1 LEU A 9 8.676 6.341 -21.264 1.00 11.33 C ATOM 138 CD2 LEU A 9 7.518 6.489 -19.051 1.00 63.33 C ATOM 0 H LEU A 9 6.000 3.585 -18.842 1.00 71.23 H new ATOM 0 HA LEU A 9 6.626 4.775 -21.419 1.00 72.44 H new ATOM 0 HB2 LEU A 9 8.067 3.838 -18.983 1.00 14.43 H new ATOM 0 HB3 LEU A 9 8.948 3.714 -20.493 1.00 14.43 H new ATOM 0 HG LEU A 9 9.504 5.785 -19.379 1.00 71.53 H new ATOM 0 HD11 LEU A 9 8.957 7.390 -21.168 1.00 11.33 H new ATOM 0 HD12 LEU A 9 9.444 5.809 -21.825 1.00 11.33 H new ATOM 0 HD13 LEU A 9 7.725 6.268 -21.792 1.00 11.33 H new ATOM 0 HD21 LEU A 9 7.815 7.536 -18.984 1.00 63.33 H new ATOM 0 HD22 LEU A 9 6.538 6.420 -19.524 1.00 63.33 H new ATOM 0 HD23 LEU A 9 7.469 6.061 -18.050 1.00 63.33 H new ATOM 150 N ALA A 10 6.225 2.580 -22.630 1.00 40.30 N ATOM 151 CA ALA A 10 6.264 1.402 -23.488 1.00 1.43 C ATOM 152 C ALA A 10 5.424 1.609 -24.743 1.00 55.31 C ATOM 153 O ALA A 10 4.587 2.512 -24.802 1.00 24.30 O ATOM 154 CB ALA A 10 5.783 0.177 -22.724 1.00 41.41 C ATOM 0 H ALA A 10 5.587 3.311 -22.946 1.00 40.30 H new ATOM 0 HA ALA A 10 7.297 1.242 -23.797 1.00 1.43 H new ATOM 0 HB1 ALA A 10 5.817 -0.695 -23.377 1.00 41.41 H new ATOM 0 HB2 ALA A 10 6.428 0.010 -21.861 1.00 41.41 H new ATOM 0 HB3 ALA A 10 4.759 0.338 -22.386 1.00 41.41 H new ATOM 160 N THR A 11 5.651 0.768 -25.747 1.00 53.13 N ATOM 161 CA THR A 11 4.916 0.860 -27.002 1.00 52.14 C ATOM 162 C THR A 11 3.411 0.839 -26.761 1.00 72.32 C ATOM 163 O THR A 11 2.932 0.409 -25.711 1.00 60.15 O ATOM 164 CB THR A 11 5.288 -0.290 -27.957 1.00 33.43 C ATOM 165 OG1 THR A 11 5.912 -1.352 -27.225 1.00 55.41 O ATOM 166 CG2 THR A 11 6.225 0.196 -29.052 1.00 14.41 C ATOM 0 H THR A 11 6.338 0.015 -25.715 1.00 53.13 H new ATOM 0 HA THR A 11 5.194 1.808 -27.462 1.00 52.14 H new ATOM 0 HB THR A 11 4.373 -0.657 -28.421 1.00 33.43 H new ATOM 0 HG1 THR A 11 6.144 -2.080 -27.839 1.00 55.41 H new ATOM 0 HG21 THR A 11 6.473 -0.634 -29.713 1.00 14.41 H new ATOM 0 HG22 THR A 11 5.737 0.984 -29.626 1.00 14.41 H new ATOM 0 HG23 THR A 11 7.138 0.587 -28.603 1.00 14.41 H new ATOM 174 N PRO A 12 2.645 1.312 -27.755 1.00 54.40 N ATOM 175 CA PRO A 12 1.182 1.357 -27.674 1.00 74.13 C ATOM 176 C PRO A 12 0.556 -0.033 -27.723 1.00 12.24 C ATOM 177 O PRO A 12 -0.615 -0.209 -27.387 1.00 51.53 O ATOM 178 CB PRO A 12 0.783 2.166 -28.911 1.00 15.23 C ATOM 179 CG PRO A 12 1.905 1.969 -29.871 1.00 14.22 C ATOM 180 CD PRO A 12 3.147 1.841 -29.034 1.00 65.43 C ATOM 0 HA PRO A 12 0.839 1.791 -26.735 1.00 74.13 H new ATOM 0 HB2 PRO A 12 -0.161 1.813 -29.327 1.00 15.23 H new ATOM 0 HB3 PRO A 12 0.650 3.220 -28.668 1.00 15.23 H new ATOM 0 HG2 PRO A 12 1.749 1.076 -30.476 1.00 14.22 H new ATOM 0 HG3 PRO A 12 1.983 2.811 -30.559 1.00 14.22 H new ATOM 0 HD2 PRO A 12 3.871 1.167 -29.491 1.00 65.43 H new ATOM 0 HD3 PRO A 12 3.644 2.802 -28.904 1.00 65.43 H new ATOM 188 N ALA A 13 1.344 -1.017 -28.141 1.00 60.54 N ATOM 189 CA ALA A 13 0.867 -2.392 -28.231 1.00 24.01 C ATOM 190 C ALA A 13 0.987 -3.103 -26.887 1.00 64.23 C ATOM 191 O ALA A 13 0.226 -4.024 -26.591 1.00 12.25 O ATOM 192 CB ALA A 13 1.639 -3.149 -29.302 1.00 35.42 C ATOM 0 H ALA A 13 2.316 -0.888 -28.423 1.00 60.54 H new ATOM 0 HA ALA A 13 -0.187 -2.368 -28.507 1.00 24.01 H new ATOM 0 HB1 ALA A 13 1.273 -4.174 -29.359 1.00 35.42 H new ATOM 0 HB2 ALA A 13 1.499 -2.660 -30.266 1.00 35.42 H new ATOM 0 HB3 ALA A 13 2.699 -3.156 -29.050 1.00 35.42 H new ATOM 198 N VAL A 14 1.949 -2.671 -26.078 1.00 2.01 N ATOM 199 CA VAL A 14 2.169 -3.266 -24.765 1.00 74.31 C ATOM 200 C VAL A 14 1.078 -2.850 -23.784 1.00 25.41 C ATOM 201 O VAL A 14 0.733 -3.600 -22.870 1.00 54.34 O ATOM 202 CB VAL A 14 3.541 -2.868 -24.190 1.00 52.43 C ATOM 203 CG1 VAL A 14 3.802 -3.593 -22.879 1.00 61.44 C ATOM 204 CG2 VAL A 14 4.644 -3.155 -25.198 1.00 31.24 C ATOM 0 H VAL A 14 2.589 -1.911 -26.309 1.00 2.01 H new ATOM 0 HA VAL A 14 2.141 -4.347 -24.899 1.00 74.31 H new ATOM 0 HB VAL A 14 3.534 -1.797 -23.989 1.00 52.43 H new ATOM 0 HG11 VAL A 14 4.776 -3.299 -22.488 1.00 61.44 H new ATOM 0 HG12 VAL A 14 3.028 -3.331 -22.158 1.00 61.44 H new ATOM 0 HG13 VAL A 14 3.790 -4.669 -23.050 1.00 61.44 H new ATOM 0 HG21 VAL A 14 5.607 -2.868 -24.775 1.00 31.24 H new ATOM 0 HG22 VAL A 14 4.654 -4.219 -25.433 1.00 31.24 H new ATOM 0 HG23 VAL A 14 4.463 -2.584 -26.108 1.00 31.24 H new ATOM 214 N ARG A 15 0.540 -1.651 -23.979 1.00 63.04 N ATOM 215 CA ARG A 15 -0.511 -1.135 -23.111 1.00 42.51 C ATOM 216 C ARG A 15 -1.682 -2.109 -23.037 1.00 33.34 C ATOM 217 O ARG A 15 -2.109 -2.500 -21.950 1.00 74.11 O ATOM 218 CB ARG A 15 -0.996 0.225 -23.616 1.00 13.52 C ATOM 219 CG ARG A 15 -2.133 0.810 -22.793 1.00 41.12 C ATOM 220 CD ARG A 15 -2.729 2.039 -23.461 1.00 41.40 C ATOM 221 NE ARG A 15 -3.433 2.893 -22.508 1.00 3.12 N ATOM 222 CZ ARG A 15 -3.735 4.165 -22.744 1.00 74.32 C ATOM 223 NH1 ARG A 15 -3.398 4.727 -23.897 1.00 20.24 N ATOM 224 NH2 ARG A 15 -4.378 4.877 -21.827 1.00 24.31 N ATOM 0 H ARG A 15 0.815 -1.019 -24.731 1.00 63.04 H new ATOM 0 HA ARG A 15 -0.096 -1.017 -22.110 1.00 42.51 H new ATOM 0 HB2 ARG A 15 -0.159 0.924 -23.613 1.00 13.52 H new ATOM 0 HB3 ARG A 15 -1.323 0.123 -24.651 1.00 13.52 H new ATOM 0 HG2 ARG A 15 -2.909 0.057 -22.655 1.00 41.12 H new ATOM 0 HG3 ARG A 15 -1.767 1.075 -21.801 1.00 41.12 H new ATOM 0 HD2 ARG A 15 -1.935 2.611 -23.942 1.00 41.40 H new ATOM 0 HD3 ARG A 15 -3.418 1.727 -24.246 1.00 41.40 H new ATOM 0 HE ARG A 15 -3.708 2.491 -21.612 1.00 3.12 H new ATOM 0 HH11 ARG A 15 -2.906 4.182 -24.605 1.00 20.24 H new ATOM 0 HH12 ARG A 15 -3.631 5.704 -24.076 1.00 20.24 H new ATOM 0 HH21 ARG A 15 -4.641 4.448 -20.940 1.00 24.31 H new ATOM 0 HH22 ARG A 15 -4.609 5.854 -22.009 1.00 24.31 H new ATOM 238 N ARG A 16 -2.197 -2.497 -24.199 1.00 34.23 N ATOM 239 CA ARG A 16 -3.320 -3.424 -24.265 1.00 75.52 C ATOM 240 C ARG A 16 -2.866 -4.851 -23.968 1.00 52.43 C ATOM 241 O ARG A 16 -3.662 -5.693 -23.552 1.00 74.31 O ATOM 242 CB ARG A 16 -3.978 -3.364 -25.645 1.00 72.21 C ATOM 243 CG ARG A 16 -5.029 -4.440 -25.867 1.00 24.24 C ATOM 244 CD ARG A 16 -4.434 -5.669 -26.537 1.00 55.13 C ATOM 245 NE ARG A 16 -4.508 -5.587 -27.994 1.00 3.14 N ATOM 246 CZ ARG A 16 -5.638 -5.709 -28.681 1.00 1.04 C ATOM 247 NH1 ARG A 16 -6.784 -5.917 -28.047 1.00 23.12 N ATOM 248 NH2 ARG A 16 -5.624 -5.622 -30.005 1.00 24.43 N ATOM 0 H ARG A 16 -1.854 -2.184 -25.107 1.00 34.23 H new ATOM 0 HA ARG A 16 -4.048 -3.128 -23.509 1.00 75.52 H new ATOM 0 HB2 ARG A 16 -4.439 -2.385 -25.776 1.00 72.21 H new ATOM 0 HB3 ARG A 16 -3.207 -3.458 -26.410 1.00 72.21 H new ATOM 0 HG2 ARG A 16 -5.470 -4.723 -24.911 1.00 24.24 H new ATOM 0 HG3 ARG A 16 -5.835 -4.042 -26.484 1.00 24.24 H new ATOM 0 HD2 ARG A 16 -3.393 -5.780 -26.232 1.00 55.13 H new ATOM 0 HD3 ARG A 16 -4.963 -6.559 -26.197 1.00 55.13 H new ATOM 0 HE ARG A 16 -3.644 -5.427 -28.512 1.00 3.14 H new ATOM 0 HH11 ARG A 16 -6.799 -5.984 -27.029 1.00 23.12 H new ATOM 0 HH12 ARG A 16 -7.650 -6.010 -28.577 1.00 23.12 H new ATOM 0 HH21 ARG A 16 -4.745 -5.461 -30.496 1.00 24.43 H new ATOM 0 HH22 ARG A 16 -6.493 -5.716 -30.531 1.00 24.43 H new ATOM 262 N LEU A 17 -1.582 -5.114 -24.185 1.00 75.24 N ATOM 263 CA LEU A 17 -1.021 -6.439 -23.942 1.00 15.33 C ATOM 264 C LEU A 17 -1.168 -6.831 -22.475 1.00 1.52 C ATOM 265 O LEU A 17 -1.783 -7.846 -22.152 1.00 21.40 O ATOM 266 CB LEU A 17 0.454 -6.472 -24.345 1.00 54.53 C ATOM 267 CG LEU A 17 1.010 -7.839 -24.742 1.00 65.15 C ATOM 268 CD1 LEU A 17 0.965 -8.797 -23.562 1.00 75.34 C ATOM 269 CD2 LEU A 17 0.237 -8.407 -25.924 1.00 23.34 C ATOM 0 H LEU A 17 -0.910 -4.428 -24.529 1.00 75.24 H new ATOM 0 HA LEU A 17 -1.573 -7.157 -24.549 1.00 15.33 H new ATOM 0 HB2 LEU A 17 0.597 -5.787 -25.181 1.00 54.53 H new ATOM 0 HB3 LEU A 17 1.046 -6.089 -23.514 1.00 54.53 H new ATOM 0 HG LEU A 17 2.051 -7.714 -25.041 1.00 65.15 H new ATOM 0 HD11 LEU A 17 1.365 -9.765 -23.864 1.00 75.34 H new ATOM 0 HD12 LEU A 17 1.564 -8.396 -22.745 1.00 75.34 H new ATOM 0 HD13 LEU A 17 -0.066 -8.918 -23.231 1.00 75.34 H new ATOM 0 HD21 LEU A 17 0.647 -9.381 -26.193 1.00 23.34 H new ATOM 0 HD22 LEU A 17 -0.813 -8.518 -25.653 1.00 23.34 H new ATOM 0 HD23 LEU A 17 0.323 -7.730 -26.774 1.00 23.34 H new ATOM 281 N ALA A 18 -0.600 -6.017 -21.591 1.00 14.42 N ATOM 282 CA ALA A 18 -0.671 -6.276 -20.158 1.00 54.21 C ATOM 283 C ALA A 18 -2.116 -6.460 -19.704 1.00 44.54 C ATOM 284 O ALA A 18 -2.382 -7.131 -18.708 1.00 53.12 O ATOM 285 CB ALA A 18 -0.013 -5.144 -19.384 1.00 3.13 C ATOM 0 H ALA A 18 -0.086 -5.173 -21.842 1.00 14.42 H new ATOM 0 HA ALA A 18 -0.133 -7.202 -19.954 1.00 54.21 H new ATOM 0 HB1 ALA A 18 -0.073 -5.351 -18.315 1.00 3.13 H new ATOM 0 HB2 ALA A 18 1.033 -5.061 -19.679 1.00 3.13 H new ATOM 0 HB3 ALA A 18 -0.527 -4.208 -19.602 1.00 3.13 H new ATOM 291 N MET A 19 -3.044 -5.858 -20.442 1.00 24.05 N ATOM 292 CA MET A 19 -4.461 -5.956 -20.114 1.00 73.41 C ATOM 293 C MET A 19 -4.979 -7.371 -20.357 1.00 45.42 C ATOM 294 O MET A 19 -5.813 -7.873 -19.606 1.00 15.22 O ATOM 295 CB MET A 19 -5.269 -4.956 -20.943 1.00 43.14 C ATOM 296 CG MET A 19 -5.711 -3.732 -20.158 1.00 4.03 C ATOM 297 SD MET A 19 -7.224 -4.018 -19.220 1.00 51.42 S ATOM 298 CE MET A 19 -7.434 -2.427 -18.424 1.00 32.23 C ATOM 0 H MET A 19 -2.840 -5.298 -21.270 1.00 24.05 H new ATOM 0 HA MET A 19 -4.580 -5.721 -19.056 1.00 73.41 H new ATOM 0 HB2 MET A 19 -4.669 -4.634 -21.794 1.00 43.14 H new ATOM 0 HB3 MET A 19 -6.150 -5.457 -21.345 1.00 43.14 H new ATOM 0 HG2 MET A 19 -4.915 -3.436 -19.475 1.00 4.03 H new ATOM 0 HG3 MET A 19 -5.866 -2.901 -20.846 1.00 4.03 H new ATOM 0 HE1 MET A 19 -8.331 -2.445 -17.806 1.00 32.23 H new ATOM 0 HE2 MET A 19 -6.567 -2.216 -17.799 1.00 32.23 H new ATOM 0 HE3 MET A 19 -7.532 -1.651 -19.183 1.00 32.23 H new ATOM 308 N GLU A 20 -4.477 -8.007 -21.411 1.00 40.55 N ATOM 309 CA GLU A 20 -4.891 -9.363 -21.753 1.00 5.53 C ATOM 310 C GLU A 20 -4.511 -10.342 -20.646 1.00 1.13 C ATOM 311 O GLU A 20 -5.134 -11.391 -20.490 1.00 72.13 O ATOM 312 CB GLU A 20 -4.252 -9.797 -23.074 1.00 14.11 C ATOM 313 CG GLU A 20 -2.904 -10.477 -22.904 1.00 51.52 C ATOM 314 CD GLU A 20 -2.021 -10.334 -24.128 1.00 44.52 C ATOM 315 OE1 GLU A 20 -2.430 -9.631 -25.076 1.00 11.42 O ATOM 316 OE2 GLU A 20 -0.921 -10.924 -24.139 1.00 25.21 O ATOM 0 H GLU A 20 -3.784 -7.605 -22.042 1.00 40.55 H new ATOM 0 HA GLU A 20 -5.975 -9.368 -21.863 1.00 5.53 H new ATOM 0 HB2 GLU A 20 -4.930 -10.477 -23.590 1.00 14.11 H new ATOM 0 HB3 GLU A 20 -4.130 -8.923 -23.713 1.00 14.11 H new ATOM 0 HG2 GLU A 20 -2.393 -10.052 -22.040 1.00 51.52 H new ATOM 0 HG3 GLU A 20 -3.059 -11.535 -22.694 1.00 51.52 H new ATOM 323 N ASN A 21 -3.483 -9.990 -19.880 1.00 33.55 N ATOM 324 CA ASN A 21 -3.019 -10.838 -18.787 1.00 71.35 C ATOM 325 C ASN A 21 -3.381 -10.231 -17.436 1.00 1.15 C ATOM 326 O ASN A 21 -3.051 -10.784 -16.387 1.00 40.42 O ATOM 327 CB ASN A 21 -1.505 -11.041 -18.879 1.00 53.25 C ATOM 328 CG ASN A 21 -0.778 -9.780 -19.304 1.00 50.41 C ATOM 329 OD1 ASN A 21 -0.504 -8.902 -18.485 1.00 65.51 O ATOM 330 ND2 ASN A 21 -0.463 -9.683 -20.590 1.00 64.45 N ATOM 0 H ASN A 21 -2.956 -9.124 -19.996 1.00 33.55 H new ATOM 0 HA ASN A 21 -3.515 -11.805 -18.875 1.00 71.35 H new ATOM 0 HB2 ASN A 21 -1.125 -11.367 -17.911 1.00 53.25 H new ATOM 0 HB3 ASN A 21 -1.291 -11.838 -19.591 1.00 53.25 H new ATOM 0 HD21 ASN A 21 0.026 -8.857 -20.934 1.00 64.45 H new ATOM 0 HD22 ASN A 21 -0.710 -10.435 -21.234 1.00 64.45 H new ATOM 337 N ASN A 22 -4.062 -9.090 -17.469 1.00 20.02 N ATOM 338 CA ASN A 22 -4.469 -8.407 -16.246 1.00 71.02 C ATOM 339 C ASN A 22 -3.267 -8.145 -15.344 1.00 13.33 C ATOM 340 O ASN A 22 -3.170 -8.696 -14.247 1.00 14.53 O ATOM 341 CB ASN A 22 -5.512 -9.238 -15.496 1.00 55.24 C ATOM 342 CG ASN A 22 -6.125 -8.483 -14.333 1.00 12.23 C ATOM 343 OD1 ASN A 22 -6.150 -8.973 -13.204 1.00 24.41 O ATOM 344 ND2 ASN A 22 -6.624 -7.282 -14.604 1.00 34.44 N ATOM 0 H ASN A 22 -4.344 -8.619 -18.329 1.00 20.02 H new ATOM 0 HA ASN A 22 -4.909 -7.449 -16.523 1.00 71.02 H new ATOM 0 HB2 ASN A 22 -6.300 -9.537 -16.187 1.00 55.24 H new ATOM 0 HB3 ASN A 22 -5.047 -10.153 -15.127 1.00 55.24 H new ATOM 0 HD21 ASN A 22 -7.049 -6.727 -13.861 1.00 34.44 H new ATOM 0 HD22 ASN A 22 -6.582 -6.915 -15.555 1.00 34.44 H new ATOM 351 N ILE A 23 -2.355 -7.300 -15.813 1.00 32.11 N ATOM 352 CA ILE A 23 -1.161 -6.964 -15.048 1.00 12.53 C ATOM 353 C ILE A 23 -0.794 -5.493 -15.219 1.00 75.45 C ATOM 354 O ILE A 23 -0.965 -4.921 -16.296 1.00 14.31 O ATOM 355 CB ILE A 23 0.039 -7.833 -15.466 1.00 44.34 C ATOM 356 CG1 ILE A 23 -0.288 -9.316 -15.281 1.00 43.11 C ATOM 357 CG2 ILE A 23 1.274 -7.453 -14.663 1.00 42.40 C ATOM 358 CD1 ILE A 23 0.754 -10.242 -15.869 1.00 33.33 C ATOM 0 H ILE A 23 -2.420 -6.836 -16.719 1.00 32.11 H new ATOM 0 HA ILE A 23 -1.392 -7.159 -14.001 1.00 12.53 H new ATOM 0 HB ILE A 23 0.247 -7.655 -16.521 1.00 44.34 H new ATOM 0 HG12 ILE A 23 -0.391 -9.527 -14.217 1.00 43.11 H new ATOM 0 HG13 ILE A 23 -1.252 -9.528 -15.743 1.00 43.11 H new ATOM 0 HG21 ILE A 23 2.114 -8.076 -14.970 1.00 42.40 H new ATOM 0 HG22 ILE A 23 1.516 -6.405 -14.841 1.00 42.40 H new ATOM 0 HG23 ILE A 23 1.079 -7.605 -13.601 1.00 42.40 H new ATOM 0 HD11 ILE A 23 0.457 -11.277 -15.701 1.00 33.33 H new ATOM 0 HD12 ILE A 23 0.841 -10.059 -16.940 1.00 33.33 H new ATOM 0 HD13 ILE A 23 1.716 -10.058 -15.390 1.00 33.33 H new ATOM 370 N LYS A 24 -0.287 -4.887 -14.151 1.00 74.24 N ATOM 371 CA LYS A 24 0.107 -3.484 -14.183 1.00 5.11 C ATOM 372 C LYS A 24 1.502 -3.324 -14.779 1.00 64.51 C ATOM 373 O LYS A 24 2.239 -4.300 -14.931 1.00 10.00 O ATOM 374 CB LYS A 24 0.073 -2.891 -12.772 1.00 64.43 C ATOM 375 CG LYS A 24 1.064 -3.536 -11.818 1.00 35.13 C ATOM 376 CD LYS A 24 0.577 -3.468 -10.380 1.00 0.02 C ATOM 377 CE LYS A 24 0.527 -2.034 -9.876 1.00 11.23 C ATOM 378 NZ LYS A 24 0.385 -1.971 -8.395 1.00 32.13 N ATOM 0 H LYS A 24 -0.139 -5.346 -13.252 1.00 74.24 H new ATOM 0 HA LYS A 24 -0.602 -2.948 -14.813 1.00 5.11 H new ATOM 0 HB2 LYS A 24 0.280 -1.823 -12.831 1.00 64.43 H new ATOM 0 HB3 LYS A 24 -0.933 -2.999 -12.366 1.00 64.43 H new ATOM 0 HG2 LYS A 24 1.219 -4.577 -12.102 1.00 35.13 H new ATOM 0 HG3 LYS A 24 2.029 -3.036 -11.901 1.00 35.13 H new ATOM 0 HD2 LYS A 24 -0.415 -3.915 -10.309 1.00 0.02 H new ATOM 0 HD3 LYS A 24 1.238 -4.056 -9.743 1.00 0.02 H new ATOM 0 HE2 LYS A 24 1.435 -1.512 -10.176 1.00 11.23 H new ATOM 0 HE3 LYS A 24 -0.309 -1.514 -10.343 1.00 11.23 H new ATOM 0 HZ1 LYS A 24 0.355 -0.977 -8.091 1.00 32.13 H new ATOM 0 HZ2 LYS A 24 -0.495 -2.447 -8.110 1.00 32.13 H new ATOM 0 HZ3 LYS A 24 1.196 -2.445 -7.948 1.00 32.13 H new ATOM 392 N LEU A 25 1.860 -2.090 -15.114 1.00 10.31 N ATOM 393 CA LEU A 25 3.168 -1.802 -15.692 1.00 61.22 C ATOM 394 C LEU A 25 4.105 -1.202 -14.649 1.00 12.13 C ATOM 395 O LEU A 25 5.170 -0.683 -14.982 1.00 11.53 O ATOM 396 CB LEU A 25 3.025 -0.845 -16.876 1.00 53.35 C ATOM 397 CG LEU A 25 2.690 -1.488 -18.223 1.00 4.21 C ATOM 398 CD1 LEU A 25 3.773 -2.477 -18.626 1.00 0.05 C ATOM 399 CD2 LEU A 25 1.333 -2.174 -18.164 1.00 25.12 C ATOM 0 H LEU A 25 1.263 -1.272 -14.995 1.00 10.31 H new ATOM 0 HA LEU A 25 3.597 -2.741 -16.041 1.00 61.22 H new ATOM 0 HB2 LEU A 25 2.247 -0.119 -16.639 1.00 53.35 H new ATOM 0 HB3 LEU A 25 3.957 -0.290 -16.983 1.00 53.35 H new ATOM 0 HG LEU A 25 2.645 -0.703 -18.978 1.00 4.21 H new ATOM 0 HD11 LEU A 25 3.518 -2.925 -19.587 1.00 0.05 H new ATOM 0 HD12 LEU A 25 4.727 -1.957 -18.710 1.00 0.05 H new ATOM 0 HD13 LEU A 25 3.851 -3.259 -17.871 1.00 0.05 H new ATOM 0 HD21 LEU A 25 1.111 -2.626 -19.131 1.00 25.12 H new ATOM 0 HD22 LEU A 25 1.350 -2.948 -17.397 1.00 25.12 H new ATOM 0 HD23 LEU A 25 0.564 -1.440 -17.922 1.00 25.12 H new ATOM 411 N SER A 26 3.701 -1.279 -13.385 1.00 2.24 N ATOM 412 CA SER A 26 4.504 -0.742 -12.292 1.00 14.31 C ATOM 413 C SER A 26 5.156 -1.866 -11.493 1.00 72.12 C ATOM 414 O SER A 26 5.871 -1.618 -10.523 1.00 51.11 O ATOM 415 CB SER A 26 3.637 0.118 -11.370 1.00 3.32 C ATOM 416 OG SER A 26 2.594 0.749 -12.092 1.00 33.30 O ATOM 0 H SER A 26 2.823 -1.708 -13.092 1.00 2.24 H new ATOM 0 HA SER A 26 5.291 -0.122 -12.722 1.00 14.31 H new ATOM 0 HB2 SER A 26 3.213 -0.503 -10.581 1.00 3.32 H new ATOM 0 HB3 SER A 26 4.255 0.873 -10.884 1.00 3.32 H new ATOM 0 HG SER A 26 2.054 1.291 -11.480 1.00 33.30 H new ATOM 422 N GLU A 27 4.903 -3.103 -11.909 1.00 72.03 N ATOM 423 CA GLU A 27 5.464 -4.266 -11.232 1.00 44.03 C ATOM 424 C GLU A 27 6.402 -5.035 -12.159 1.00 3.43 C ATOM 425 O GLU A 27 7.271 -5.779 -11.703 1.00 74.01 O ATOM 426 CB GLU A 27 4.346 -5.188 -10.742 1.00 11.23 C ATOM 427 CG GLU A 27 4.713 -5.983 -9.500 1.00 63.34 C ATOM 428 CD GLU A 27 3.722 -7.092 -9.204 1.00 25.23 C ATOM 429 OE1 GLU A 27 2.780 -7.274 -10.003 1.00 21.22 O ATOM 430 OE2 GLU A 27 3.889 -7.777 -8.173 1.00 70.32 O ATOM 0 H GLU A 27 4.313 -3.325 -12.711 1.00 72.03 H new ATOM 0 HA GLU A 27 6.036 -3.913 -10.374 1.00 44.03 H new ATOM 0 HB2 GLU A 27 3.459 -4.590 -10.531 1.00 11.23 H new ATOM 0 HB3 GLU A 27 4.081 -5.880 -11.541 1.00 11.23 H new ATOM 0 HG2 GLU A 27 5.706 -6.413 -9.629 1.00 63.34 H new ATOM 0 HG3 GLU A 27 4.766 -5.310 -8.644 1.00 63.34 H new ATOM 437 N VAL A 28 6.220 -4.849 -13.462 1.00 41.03 N ATOM 438 CA VAL A 28 7.049 -5.524 -14.454 1.00 3.42 C ATOM 439 C VAL A 28 8.508 -5.098 -14.331 1.00 62.32 C ATOM 440 O VAL A 28 8.810 -4.013 -13.835 1.00 41.45 O ATOM 441 CB VAL A 28 6.560 -5.234 -15.885 1.00 61.03 C ATOM 442 CG1 VAL A 28 7.256 -6.148 -16.883 1.00 34.04 C ATOM 443 CG2 VAL A 28 5.049 -5.387 -15.973 1.00 22.53 C ATOM 0 H VAL A 28 5.506 -4.236 -13.856 1.00 41.03 H new ATOM 0 HA VAL A 28 6.968 -6.594 -14.260 1.00 3.42 H new ATOM 0 HB VAL A 28 6.813 -4.204 -16.135 1.00 61.03 H new ATOM 0 HG11 VAL A 28 6.898 -5.928 -17.889 1.00 34.04 H new ATOM 0 HG12 VAL A 28 8.333 -5.984 -16.837 1.00 34.04 H new ATOM 0 HG13 VAL A 28 7.037 -7.187 -16.639 1.00 34.04 H new ATOM 0 HG21 VAL A 28 4.721 -5.178 -16.991 1.00 22.53 H new ATOM 0 HG22 VAL A 28 4.770 -6.406 -15.703 1.00 22.53 H new ATOM 0 HG23 VAL A 28 4.572 -4.687 -15.287 1.00 22.53 H new ATOM 453 N VAL A 29 9.411 -5.961 -14.787 1.00 32.31 N ATOM 454 CA VAL A 29 10.839 -5.675 -14.730 1.00 42.21 C ATOM 455 C VAL A 29 11.214 -4.554 -15.694 1.00 33.24 C ATOM 456 O VAL A 29 11.625 -4.806 -16.825 1.00 54.15 O ATOM 457 CB VAL A 29 11.676 -6.924 -15.063 1.00 71.32 C ATOM 458 CG1 VAL A 29 13.159 -6.638 -14.883 1.00 11.14 C ATOM 459 CG2 VAL A 29 11.243 -8.100 -14.201 1.00 72.40 C ATOM 0 H VAL A 29 9.178 -6.864 -15.200 1.00 32.31 H new ATOM 0 HA VAL A 29 11.058 -5.362 -13.709 1.00 42.21 H new ATOM 0 HB VAL A 29 11.506 -7.186 -16.107 1.00 71.32 H new ATOM 0 HG11 VAL A 29 13.734 -7.532 -15.123 1.00 11.14 H new ATOM 0 HG12 VAL A 29 13.456 -5.827 -15.547 1.00 11.14 H new ATOM 0 HG13 VAL A 29 13.351 -6.350 -13.850 1.00 11.14 H new ATOM 0 HG21 VAL A 29 11.845 -8.974 -14.449 1.00 72.40 H new ATOM 0 HG22 VAL A 29 11.382 -7.851 -13.149 1.00 72.40 H new ATOM 0 HG23 VAL A 29 10.191 -8.319 -14.386 1.00 72.40 H new ATOM 469 N GLY A 30 11.069 -3.314 -15.236 1.00 21.24 N ATOM 470 CA GLY A 30 11.397 -2.173 -16.069 1.00 51.45 C ATOM 471 C GLY A 30 11.872 -0.982 -15.261 1.00 40.41 C ATOM 472 O GLY A 30 11.963 -1.051 -14.035 1.00 54.05 O ATOM 0 H GLY A 30 10.730 -3.080 -14.303 1.00 21.24 H new ATOM 0 HA2 GLY A 30 12.172 -2.458 -16.781 1.00 51.45 H new ATOM 0 HA3 GLY A 30 10.520 -1.887 -16.650 1.00 51.45 H new ATOM 476 N SER A 31 12.178 0.114 -15.949 1.00 1.15 N ATOM 477 CA SER A 31 12.652 1.324 -15.287 1.00 1.10 C ATOM 478 C SER A 31 11.655 2.466 -15.463 1.00 64.41 C ATOM 479 O SER A 31 11.713 3.470 -14.755 1.00 43.12 O ATOM 480 CB SER A 31 14.017 1.733 -15.843 1.00 42.43 C ATOM 481 OG SER A 31 14.476 2.930 -15.239 1.00 41.31 O ATOM 0 H SER A 31 12.106 0.189 -16.964 1.00 1.15 H new ATOM 0 HA SER A 31 12.750 1.112 -14.222 1.00 1.10 H new ATOM 0 HB2 SER A 31 14.738 0.934 -15.669 1.00 42.43 H new ATOM 0 HB3 SER A 31 13.947 1.870 -16.922 1.00 42.43 H new ATOM 0 HG SER A 31 13.710 3.446 -14.912 1.00 41.31 H new ATOM 487 N GLY A 32 10.740 2.303 -16.414 1.00 64.31 N ATOM 488 CA GLY A 32 9.744 3.326 -16.668 1.00 15.45 C ATOM 489 C GLY A 32 10.356 4.703 -16.834 1.00 54.11 C ATOM 490 O GLY A 32 9.932 5.662 -16.188 1.00 71.13 O ATOM 0 H GLY A 32 10.671 1.480 -17.013 1.00 64.31 H new ATOM 0 HA2 GLY A 32 9.185 3.069 -17.568 1.00 15.45 H new ATOM 0 HA3 GLY A 32 9.030 3.346 -15.845 1.00 15.45 H new ATOM 494 N LYS A 33 11.357 4.803 -17.702 1.00 30.52 N ATOM 495 CA LYS A 33 12.030 6.072 -17.952 1.00 60.51 C ATOM 496 C LYS A 33 11.945 6.451 -19.427 1.00 14.10 C ATOM 497 O LYS A 33 11.271 7.415 -19.792 1.00 3.25 O ATOM 498 CB LYS A 33 13.496 5.989 -17.520 1.00 33.12 C ATOM 499 CG LYS A 33 14.138 7.345 -17.286 1.00 2.21 C ATOM 500 CD LYS A 33 15.581 7.208 -16.831 1.00 24.44 C ATOM 501 CE LYS A 33 16.519 6.989 -18.008 1.00 51.22 C ATOM 502 NZ LYS A 33 17.845 6.469 -17.573 1.00 34.03 N ATOM 0 H LYS A 33 11.720 4.019 -18.245 1.00 30.52 H new ATOM 0 HA LYS A 33 11.528 6.843 -17.367 1.00 60.51 H new ATOM 0 HB2 LYS A 33 13.564 5.401 -16.604 1.00 33.12 H new ATOM 0 HB3 LYS A 33 14.062 5.455 -18.284 1.00 33.12 H new ATOM 0 HG2 LYS A 33 14.099 7.930 -18.205 1.00 2.21 H new ATOM 0 HG3 LYS A 33 13.569 7.893 -16.535 1.00 2.21 H new ATOM 0 HD2 LYS A 33 15.879 8.105 -16.289 1.00 24.44 H new ATOM 0 HD3 LYS A 33 15.667 6.373 -16.136 1.00 24.44 H new ATOM 0 HE2 LYS A 33 16.066 6.287 -18.708 1.00 51.22 H new ATOM 0 HE3 LYS A 33 16.655 7.929 -18.543 1.00 51.22 H new ATOM 0 HZ1 LYS A 33 18.455 6.333 -18.405 1.00 34.03 H new ATOM 0 HZ2 LYS A 33 18.290 7.150 -16.925 1.00 34.03 H new ATOM 0 HZ3 LYS A 33 17.718 5.559 -17.085 1.00 34.03 H new ATOM 516 N ASP A 34 12.629 5.687 -20.270 1.00 65.34 N ATOM 517 CA ASP A 34 12.629 5.942 -21.706 1.00 73.42 C ATOM 518 C ASP A 34 12.085 4.739 -22.471 1.00 51.03 C ATOM 519 O ASP A 34 12.673 4.301 -23.459 1.00 23.01 O ATOM 520 CB ASP A 34 14.042 6.271 -22.188 1.00 4.50 C ATOM 521 CG ASP A 34 14.981 5.085 -22.084 1.00 52.35 C ATOM 522 OD1 ASP A 34 15.204 4.602 -20.955 1.00 21.33 O ATOM 523 OD2 ASP A 34 15.491 4.640 -23.133 1.00 64.03 O ATOM 0 H ASP A 34 13.191 4.885 -19.984 1.00 65.34 H new ATOM 0 HA ASP A 34 11.980 6.797 -21.898 1.00 73.42 H new ATOM 0 HB2 ASP A 34 14.000 6.608 -23.224 1.00 4.50 H new ATOM 0 HB3 ASP A 34 14.440 7.098 -21.600 1.00 4.50 H new ATOM 528 N GLY A 35 10.957 4.209 -22.007 1.00 25.22 N ATOM 529 CA GLY A 35 10.354 3.061 -22.658 1.00 51.14 C ATOM 530 C GLY A 35 11.112 1.776 -22.389 1.00 42.54 C ATOM 531 O GLY A 35 11.149 0.881 -23.234 1.00 10.15 O ATOM 0 H GLY A 35 10.450 4.554 -21.192 1.00 25.22 H new ATOM 0 HA2 GLY A 35 9.326 2.951 -22.314 1.00 51.14 H new ATOM 0 HA3 GLY A 35 10.313 3.237 -23.733 1.00 51.14 H new ATOM 535 N ARG A 36 11.720 1.686 -21.211 1.00 64.22 N ATOM 536 CA ARG A 36 12.484 0.502 -20.835 1.00 2.43 C ATOM 537 C ARG A 36 11.613 -0.749 -20.896 1.00 63.03 C ATOM 538 O ARG A 36 12.078 -1.822 -21.282 1.00 21.11 O ATOM 539 CB ARG A 36 13.060 0.667 -19.427 1.00 12.31 C ATOM 540 CG ARG A 36 14.573 0.539 -19.369 1.00 22.42 C ATOM 541 CD ARG A 36 15.019 -0.243 -18.143 1.00 61.21 C ATOM 542 NE ARG A 36 15.767 -1.445 -18.503 1.00 4.35 N ATOM 543 CZ ARG A 36 16.105 -2.388 -17.631 1.00 30.52 C ATOM 544 NH1 ARG A 36 15.762 -2.271 -16.355 1.00 43.25 N ATOM 545 NH2 ARG A 36 16.786 -3.453 -18.035 1.00 24.15 N ATOM 0 H ARG A 36 11.699 2.418 -20.501 1.00 64.22 H new ATOM 0 HA ARG A 36 13.303 0.388 -21.545 1.00 2.43 H new ATOM 0 HB2 ARG A 36 12.771 1.643 -19.038 1.00 12.31 H new ATOM 0 HB3 ARG A 36 12.615 -0.082 -18.772 1.00 12.31 H new ATOM 0 HG2 ARG A 36 14.932 0.041 -20.270 1.00 22.42 H new ATOM 0 HG3 ARG A 36 15.023 1.532 -19.352 1.00 22.42 H new ATOM 0 HD2 ARG A 36 15.639 0.394 -17.512 1.00 61.21 H new ATOM 0 HD3 ARG A 36 14.146 -0.522 -17.554 1.00 61.21 H new ATOM 0 HE ARG A 36 16.045 -1.567 -19.477 1.00 4.35 H new ATOM 0 HH11 ARG A 36 15.237 -1.455 -16.041 1.00 43.25 H new ATOM 0 HH12 ARG A 36 16.023 -2.997 -15.688 1.00 43.25 H new ATOM 0 HH21 ARG A 36 17.050 -3.548 -19.016 1.00 24.15 H new ATOM 0 HH22 ARG A 36 17.045 -4.177 -17.365 1.00 24.15 H new ATOM 559 N ILE A 37 10.349 -0.603 -20.513 1.00 63.34 N ATOM 560 CA ILE A 37 9.414 -1.721 -20.526 1.00 22.32 C ATOM 561 C ILE A 37 9.078 -2.141 -21.953 1.00 30.03 C ATOM 562 O ILE A 37 8.266 -1.503 -22.624 1.00 43.14 O ATOM 563 CB ILE A 37 8.110 -1.373 -19.784 1.00 40.34 C ATOM 564 CG1 ILE A 37 8.423 -0.741 -18.427 1.00 11.24 C ATOM 565 CG2 ILE A 37 7.251 -2.616 -19.611 1.00 32.22 C ATOM 566 CD1 ILE A 37 7.189 -0.366 -17.636 1.00 0.31 C ATOM 0 H ILE A 37 9.949 0.278 -20.190 1.00 63.34 H new ATOM 0 HA ILE A 37 9.904 -2.548 -20.013 1.00 22.32 H new ATOM 0 HB ILE A 37 7.552 -0.650 -20.380 1.00 40.34 H new ATOM 0 HG12 ILE A 37 9.023 -1.437 -17.841 1.00 11.24 H new ATOM 0 HG13 ILE A 37 9.030 0.151 -18.582 1.00 11.24 H new ATOM 0 HG21 ILE A 37 6.333 -2.354 -19.085 1.00 32.22 H new ATOM 0 HG22 ILE A 37 7.004 -3.026 -20.590 1.00 32.22 H new ATOM 0 HG23 ILE A 37 7.800 -3.360 -19.034 1.00 32.22 H new ATOM 0 HD11 ILE A 37 7.487 0.076 -16.685 1.00 0.31 H new ATOM 0 HD12 ILE A 37 6.599 0.354 -18.202 1.00 0.31 H new ATOM 0 HD13 ILE A 37 6.591 -1.258 -17.450 1.00 0.31 H new ATOM 578 N LEU A 38 9.706 -3.219 -22.410 1.00 14.12 N ATOM 579 CA LEU A 38 9.472 -3.726 -23.757 1.00 60.44 C ATOM 580 C LEU A 38 8.873 -5.129 -23.715 1.00 11.50 C ATOM 581 O LEU A 38 8.753 -5.732 -22.649 1.00 32.42 O ATOM 582 CB LEU A 38 10.779 -3.742 -24.551 1.00 44.15 C ATOM 583 CG LEU A 38 10.795 -2.911 -25.835 1.00 1.53 C ATOM 584 CD1 LEU A 38 12.076 -2.096 -25.927 1.00 52.32 C ATOM 585 CD2 LEU A 38 10.643 -3.808 -27.054 1.00 31.52 C ATOM 0 H LEU A 38 10.381 -3.758 -21.868 1.00 14.12 H new ATOM 0 HA LEU A 38 8.762 -3.062 -24.250 1.00 60.44 H new ATOM 0 HB2 LEU A 38 11.579 -3.387 -23.902 1.00 44.15 H new ATOM 0 HB3 LEU A 38 11.012 -4.775 -24.808 1.00 44.15 H new ATOM 0 HG LEU A 38 9.951 -2.222 -25.809 1.00 1.53 H new ATOM 0 HD11 LEU A 38 12.070 -1.511 -26.847 1.00 52.32 H new ATOM 0 HD12 LEU A 38 12.143 -1.425 -25.071 1.00 52.32 H new ATOM 0 HD13 LEU A 38 12.935 -2.767 -25.930 1.00 52.32 H new ATOM 0 HD21 LEU A 38 10.657 -3.199 -27.958 1.00 31.52 H new ATOM 0 HD22 LEU A 38 11.466 -4.522 -27.085 1.00 31.52 H new ATOM 0 HD23 LEU A 38 9.697 -4.347 -26.994 1.00 31.52 H new ATOM 597 N LYS A 39 8.500 -5.642 -24.882 1.00 71.41 N ATOM 598 CA LYS A 39 7.916 -6.975 -24.980 1.00 65.05 C ATOM 599 C LYS A 39 8.824 -8.016 -24.332 1.00 11.50 C ATOM 600 O LYS A 39 8.348 -8.971 -23.719 1.00 43.41 O ATOM 601 CB LYS A 39 7.671 -7.340 -26.446 1.00 52.33 C ATOM 602 CG LYS A 39 6.997 -8.688 -26.633 1.00 31.11 C ATOM 603 CD LYS A 39 5.923 -8.631 -27.706 1.00 14.11 C ATOM 604 CE LYS A 39 6.496 -8.917 -29.085 1.00 65.41 C ATOM 605 NZ LYS A 39 6.937 -7.672 -29.772 1.00 44.10 N ATOM 0 H LYS A 39 8.592 -5.155 -25.774 1.00 71.41 H new ATOM 0 HA LYS A 39 6.964 -6.967 -24.449 1.00 65.05 H new ATOM 0 HB2 LYS A 39 7.054 -6.568 -26.906 1.00 52.33 H new ATOM 0 HB3 LYS A 39 8.624 -7.343 -26.975 1.00 52.33 H new ATOM 0 HG2 LYS A 39 7.744 -9.435 -26.904 1.00 31.11 H new ATOM 0 HG3 LYS A 39 6.554 -9.008 -25.690 1.00 31.11 H new ATOM 0 HD2 LYS A 39 5.141 -9.356 -27.478 1.00 14.11 H new ATOM 0 HD3 LYS A 39 5.456 -7.646 -27.702 1.00 14.11 H new ATOM 0 HE2 LYS A 39 7.341 -9.599 -28.993 1.00 65.41 H new ATOM 0 HE3 LYS A 39 5.745 -9.421 -29.693 1.00 65.41 H new ATOM 0 HZ1 LYS A 39 7.321 -7.910 -30.709 1.00 44.10 H new ATOM 0 HZ2 LYS A 39 6.126 -7.031 -29.883 1.00 44.10 H new ATOM 0 HZ3 LYS A 39 7.673 -7.204 -29.205 1.00 44.10 H new ATOM 619 N GLU A 40 10.132 -7.822 -24.471 1.00 31.43 N ATOM 620 CA GLU A 40 11.105 -8.745 -23.897 1.00 53.21 C ATOM 621 C GLU A 40 10.988 -8.782 -22.376 1.00 1.20 C ATOM 622 O GLU A 40 11.285 -9.796 -21.745 1.00 31.25 O ATOM 623 CB GLU A 40 12.524 -8.340 -24.301 1.00 60.41 C ATOM 624 CG GLU A 40 12.705 -8.170 -25.800 1.00 60.41 C ATOM 625 CD GLU A 40 14.159 -8.248 -26.225 1.00 13.33 C ATOM 626 OE1 GLU A 40 14.853 -7.212 -26.156 1.00 62.34 O ATOM 627 OE2 GLU A 40 14.602 -9.345 -26.625 1.00 54.31 O ATOM 0 H GLU A 40 10.542 -7.036 -24.975 1.00 31.43 H new ATOM 0 HA GLU A 40 10.895 -9.742 -24.284 1.00 53.21 H new ATOM 0 HB2 GLU A 40 12.781 -7.405 -23.804 1.00 60.41 H new ATOM 0 HB3 GLU A 40 13.224 -9.094 -23.942 1.00 60.41 H new ATOM 0 HG2 GLU A 40 12.136 -8.941 -26.320 1.00 60.41 H new ATOM 0 HG3 GLU A 40 12.292 -7.208 -26.105 1.00 60.41 H new ATOM 634 N ASP A 41 10.555 -7.669 -21.795 1.00 11.24 N ATOM 635 CA ASP A 41 10.398 -7.573 -20.348 1.00 3.21 C ATOM 636 C ASP A 41 9.045 -8.124 -19.910 1.00 71.01 C ATOM 637 O ASP A 41 8.940 -8.797 -18.884 1.00 44.20 O ATOM 638 CB ASP A 41 10.542 -6.120 -19.893 1.00 44.42 C ATOM 639 CG ASP A 41 11.982 -5.744 -19.603 1.00 1.14 C ATOM 640 OD1 ASP A 41 12.654 -6.497 -18.867 1.00 43.52 O ATOM 641 OD2 ASP A 41 12.436 -4.697 -20.110 1.00 4.22 O ATOM 0 H ASP A 41 10.306 -6.820 -22.303 1.00 11.24 H new ATOM 0 HA ASP A 41 11.181 -8.171 -19.882 1.00 3.21 H new ATOM 0 HB2 ASP A 41 10.145 -5.460 -20.664 1.00 44.42 H new ATOM 0 HB3 ASP A 41 9.941 -5.961 -18.998 1.00 44.42 H new ATOM 646 N ILE A 42 8.012 -7.833 -20.694 1.00 31.43 N ATOM 647 CA ILE A 42 6.666 -8.300 -20.386 1.00 73.15 C ATOM 648 C ILE A 42 6.560 -9.814 -20.539 1.00 43.31 C ATOM 649 O ILE A 42 6.160 -10.516 -19.610 1.00 24.24 O ATOM 650 CB ILE A 42 5.617 -7.630 -21.293 1.00 52.34 C ATOM 651 CG1 ILE A 42 5.643 -6.112 -21.105 1.00 2.44 C ATOM 652 CG2 ILE A 42 4.230 -8.182 -20.997 1.00 44.34 C ATOM 653 CD1 ILE A 42 5.189 -5.665 -19.733 1.00 32.24 C ATOM 0 H ILE A 42 8.081 -7.277 -21.546 1.00 31.43 H new ATOM 0 HA ILE A 42 6.467 -8.027 -19.350 1.00 73.15 H new ATOM 0 HB ILE A 42 5.861 -7.853 -22.332 1.00 52.34 H new ATOM 0 HG12 ILE A 42 6.656 -5.750 -21.279 1.00 2.44 H new ATOM 0 HG13 ILE A 42 5.005 -5.650 -21.858 1.00 2.44 H new ATOM 0 HG21 ILE A 42 3.500 -7.699 -21.646 1.00 44.34 H new ATOM 0 HG22 ILE A 42 4.220 -9.257 -21.177 1.00 44.34 H new ATOM 0 HG23 ILE A 42 3.975 -7.986 -19.955 1.00 44.34 H new ATOM 0 HD11 ILE A 42 5.233 -4.578 -19.671 1.00 32.24 H new ATOM 0 HD12 ILE A 42 4.165 -5.997 -19.563 1.00 32.24 H new ATOM 0 HD13 ILE A 42 5.841 -6.098 -18.975 1.00 32.24 H new ATOM 665 N LEU A 43 6.923 -10.311 -21.716 1.00 41.44 N ATOM 666 CA LEU A 43 6.872 -11.742 -21.991 1.00 74.43 C ATOM 667 C LEU A 43 7.613 -12.530 -20.916 1.00 34.32 C ATOM 668 O LEU A 43 7.165 -13.596 -20.494 1.00 63.04 O ATOM 669 CB LEU A 43 7.476 -12.040 -23.365 1.00 34.02 C ATOM 670 CG LEU A 43 6.783 -13.133 -24.180 1.00 23.12 C ATOM 671 CD1 LEU A 43 5.344 -12.745 -24.479 1.00 13.00 C ATOM 672 CD2 LEU A 43 7.545 -13.400 -25.470 1.00 10.50 C ATOM 0 H LEU A 43 7.256 -9.744 -22.496 1.00 41.44 H new ATOM 0 HA LEU A 43 5.827 -12.050 -21.986 1.00 74.43 H new ATOM 0 HB2 LEU A 43 7.470 -11.120 -23.950 1.00 34.02 H new ATOM 0 HB3 LEU A 43 8.519 -12.324 -23.227 1.00 34.02 H new ATOM 0 HG LEU A 43 6.775 -14.049 -23.590 1.00 23.12 H new ATOM 0 HD11 LEU A 43 4.867 -13.535 -25.060 1.00 13.00 H new ATOM 0 HD12 LEU A 43 4.803 -12.605 -23.543 1.00 13.00 H new ATOM 0 HD13 LEU A 43 5.329 -11.816 -25.049 1.00 13.00 H new ATOM 0 HD21 LEU A 43 7.038 -14.180 -26.037 1.00 10.50 H new ATOM 0 HD22 LEU A 43 7.585 -12.487 -26.064 1.00 10.50 H new ATOM 0 HD23 LEU A 43 8.559 -13.724 -25.234 1.00 10.50 H new ATOM 684 N ASN A 44 8.747 -11.997 -20.474 1.00 41.25 N ATOM 685 CA ASN A 44 9.550 -12.649 -19.446 1.00 75.43 C ATOM 686 C ASN A 44 8.926 -12.459 -18.067 1.00 73.21 C ATOM 687 O ASN A 44 9.104 -13.288 -17.174 1.00 53.11 O ATOM 688 CB ASN A 44 10.975 -12.095 -19.454 1.00 45.14 C ATOM 689 CG ASN A 44 11.962 -13.026 -18.777 1.00 31.32 C ATOM 690 OD1 ASN A 44 11.796 -14.246 -18.798 1.00 33.05 O ATOM 691 ND2 ASN A 44 12.996 -12.454 -18.171 1.00 51.13 N ATOM 0 H ASN A 44 9.131 -11.115 -20.812 1.00 41.25 H new ATOM 0 HA ASN A 44 9.582 -13.716 -19.667 1.00 75.43 H new ATOM 0 HB2 ASN A 44 11.289 -11.923 -20.484 1.00 45.14 H new ATOM 0 HB3 ASN A 44 10.989 -11.128 -18.951 1.00 45.14 H new ATOM 0 HD21 ASN A 44 13.692 -13.030 -17.698 1.00 51.13 H new ATOM 0 HD22 ASN A 44 13.094 -11.439 -18.179 1.00 51.13 H new ATOM 698 N TYR A 45 8.194 -11.363 -17.901 1.00 70.11 N ATOM 699 CA TYR A 45 7.545 -11.063 -16.630 1.00 51.45 C ATOM 700 C TYR A 45 6.331 -11.960 -16.413 1.00 72.51 C ATOM 701 O TYR A 45 6.221 -12.640 -15.392 1.00 11.25 O ATOM 702 CB TYR A 45 7.121 -9.593 -16.585 1.00 64.51 C ATOM 703 CG TYR A 45 6.567 -9.164 -15.245 1.00 62.24 C ATOM 704 CD1 TYR A 45 7.366 -9.167 -14.108 1.00 72.12 C ATOM 705 CD2 TYR A 45 5.245 -8.757 -15.116 1.00 43.33 C ATOM 706 CE1 TYR A 45 6.864 -8.776 -12.882 1.00 32.42 C ATOM 707 CE2 TYR A 45 4.735 -8.363 -13.894 1.00 43.04 C ATOM 708 CZ TYR A 45 5.548 -8.375 -12.780 1.00 43.22 C ATOM 709 OH TYR A 45 5.044 -7.985 -11.561 1.00 15.31 O ATOM 0 H TYR A 45 8.035 -10.668 -18.630 1.00 70.11 H new ATOM 0 HA TYR A 45 8.262 -11.253 -15.831 1.00 51.45 H new ATOM 0 HB2 TYR A 45 7.980 -8.968 -16.831 1.00 64.51 H new ATOM 0 HB3 TYR A 45 6.368 -9.417 -17.353 1.00 64.51 H new ATOM 0 HD1 TYR A 45 8.397 -9.480 -14.184 1.00 72.12 H new ATOM 0 HD2 TYR A 45 4.605 -8.748 -15.986 1.00 43.33 H new ATOM 0 HE1 TYR A 45 7.498 -8.784 -12.008 1.00 32.42 H new ATOM 0 HE2 TYR A 45 3.705 -8.047 -13.812 1.00 43.04 H new ATOM 0 HH TYR A 45 4.065 -8.009 -11.589 1.00 15.31 H new ATOM 719 N LEU A 46 5.421 -11.959 -17.381 1.00 43.24 N ATOM 720 CA LEU A 46 4.214 -12.773 -17.298 1.00 70.44 C ATOM 721 C LEU A 46 4.556 -14.220 -16.958 1.00 72.50 C ATOM 722 O LEU A 46 3.787 -14.908 -16.286 1.00 43.24 O ATOM 723 CB LEU A 46 3.445 -12.716 -18.619 1.00 73.33 C ATOM 724 CG LEU A 46 2.476 -11.544 -18.782 1.00 21.33 C ATOM 725 CD1 LEU A 46 3.178 -10.227 -18.488 1.00 73.31 C ATOM 726 CD2 LEU A 46 1.882 -11.533 -20.183 1.00 22.53 C ATOM 0 H LEU A 46 5.496 -11.403 -18.233 1.00 43.24 H new ATOM 0 HA LEU A 46 3.588 -12.370 -16.502 1.00 70.44 H new ATOM 0 HB2 LEU A 46 4.167 -12.681 -19.435 1.00 73.33 H new ATOM 0 HB3 LEU A 46 2.884 -13.644 -18.730 1.00 73.33 H new ATOM 0 HG LEU A 46 1.663 -11.667 -18.066 1.00 21.33 H new ATOM 0 HD11 LEU A 46 2.473 -9.404 -18.609 1.00 73.31 H new ATOM 0 HD12 LEU A 46 3.554 -10.235 -17.465 1.00 73.31 H new ATOM 0 HD13 LEU A 46 4.011 -10.096 -19.179 1.00 73.31 H new ATOM 0 HD21 LEU A 46 1.195 -10.692 -20.280 1.00 22.53 H new ATOM 0 HD22 LEU A 46 2.682 -11.435 -20.917 1.00 22.53 H new ATOM 0 HD23 LEU A 46 1.343 -12.464 -20.357 1.00 22.53 H new ATOM 738 N GLU A 47 5.715 -14.675 -17.425 1.00 34.03 N ATOM 739 CA GLU A 47 6.158 -16.040 -17.168 1.00 21.21 C ATOM 740 C GLU A 47 6.622 -16.199 -15.723 1.00 12.12 C ATOM 741 O GLU A 47 6.243 -17.149 -15.038 1.00 21.23 O ATOM 742 CB GLU A 47 7.291 -16.420 -18.123 1.00 63.23 C ATOM 743 CG GLU A 47 6.822 -16.712 -19.539 1.00 10.22 C ATOM 744 CD GLU A 47 5.714 -17.746 -19.585 1.00 13.34 C ATOM 745 OE1 GLU A 47 6.022 -18.950 -19.467 1.00 31.30 O ATOM 746 OE2 GLU A 47 4.539 -17.351 -19.738 1.00 42.12 O ATOM 0 H GLU A 47 6.363 -14.119 -17.983 1.00 34.03 H new ATOM 0 HA GLU A 47 5.312 -16.707 -17.335 1.00 21.21 H new ATOM 0 HB2 GLU A 47 8.019 -15.609 -18.150 1.00 63.23 H new ATOM 0 HB3 GLU A 47 7.806 -17.297 -17.732 1.00 63.23 H new ATOM 0 HG2 GLU A 47 6.471 -15.788 -19.999 1.00 10.22 H new ATOM 0 HG3 GLU A 47 7.666 -17.063 -20.132 1.00 10.22 H new ATOM 753 N LYS A 48 7.445 -15.261 -15.265 1.00 72.45 N ATOM 754 CA LYS A 48 7.961 -15.295 -13.902 1.00 42.43 C ATOM 755 C LYS A 48 7.152 -14.377 -12.991 1.00 52.04 C ATOM 756 O LYS A 48 7.705 -13.712 -12.116 1.00 22.30 O ATOM 757 CB LYS A 48 9.434 -14.880 -13.883 1.00 22.13 C ATOM 758 CG LYS A 48 10.225 -15.500 -12.744 1.00 3.22 C ATOM 759 CD LYS A 48 11.607 -14.880 -12.623 1.00 2.34 C ATOM 760 CE LYS A 48 12.162 -15.026 -11.214 1.00 0.31 C ATOM 761 NZ LYS A 48 12.410 -16.451 -10.860 1.00 52.24 N ATOM 0 H LYS A 48 7.769 -14.468 -15.818 1.00 72.45 H new ATOM 0 HA LYS A 48 7.872 -16.316 -13.531 1.00 42.43 H new ATOM 0 HB2 LYS A 48 9.895 -15.162 -14.830 1.00 22.13 H new ATOM 0 HB3 LYS A 48 9.496 -13.794 -13.809 1.00 22.13 H new ATOM 0 HG2 LYS A 48 9.682 -15.367 -11.808 1.00 3.22 H new ATOM 0 HG3 LYS A 48 10.320 -16.573 -12.908 1.00 3.22 H new ATOM 0 HD2 LYS A 48 12.284 -15.356 -13.333 1.00 2.34 H new ATOM 0 HD3 LYS A 48 11.558 -13.824 -12.888 1.00 2.34 H new ATOM 0 HE2 LYS A 48 13.092 -14.464 -11.130 1.00 0.31 H new ATOM 0 HE3 LYS A 48 11.461 -14.591 -10.501 1.00 0.31 H new ATOM 0 HZ1 LYS A 48 12.788 -16.508 -9.893 1.00 52.24 H new ATOM 0 HZ2 LYS A 48 11.518 -16.983 -10.915 1.00 52.24 H new ATOM 0 HZ3 LYS A 48 13.098 -16.859 -11.525 1.00 52.24 H new ATOM 775 N GLN A 49 5.840 -14.347 -13.203 1.00 60.44 N ATOM 776 CA GLN A 49 4.956 -13.512 -12.400 1.00 54.41 C ATOM 777 C GLN A 49 5.040 -13.890 -10.925 1.00 42.01 C ATOM 778 O GLN A 49 5.107 -15.070 -10.578 1.00 44.30 O ATOM 779 CB GLN A 49 3.512 -13.641 -12.890 1.00 64.41 C ATOM 780 CG GLN A 49 2.923 -15.028 -12.687 1.00 3.01 C ATOM 781 CD GLN A 49 1.433 -15.074 -12.959 1.00 35.24 C ATOM 782 OE1 GLN A 49 0.999 -15.484 -14.036 1.00 15.33 O ATOM 783 NE2 GLN A 49 0.639 -14.654 -11.981 1.00 10.44 N ATOM 0 H GLN A 49 5.366 -14.891 -13.924 1.00 60.44 H new ATOM 0 HA GLN A 49 5.278 -12.477 -12.510 1.00 54.41 H new ATOM 0 HB2 GLN A 49 2.893 -12.912 -12.367 1.00 64.41 H new ATOM 0 HB3 GLN A 49 3.473 -13.390 -13.950 1.00 64.41 H new ATOM 0 HG2 GLN A 49 3.431 -15.734 -13.344 1.00 3.01 H new ATOM 0 HG3 GLN A 49 3.112 -15.353 -11.664 1.00 3.01 H new ATOM 0 HE21 GLN A 49 1.041 -14.322 -11.104 1.00 10.44 H new ATOM 0 HE22 GLN A 49 -0.373 -14.663 -12.106 1.00 10.44 H new ATOM 792 N THR A 50 5.037 -12.881 -10.059 1.00 70.21 N ATOM 793 CA THR A 50 5.115 -13.108 -8.622 1.00 11.44 C ATOM 794 C THR A 50 3.735 -13.375 -8.032 1.00 21.55 C ATOM 795 O THR A 50 3.466 -14.466 -7.525 1.00 51.24 O ATOM 796 CB THR A 50 5.746 -11.904 -7.897 1.00 11.14 C ATOM 797 OG1 THR A 50 6.976 -11.539 -8.532 1.00 23.30 O ATOM 798 CG2 THR A 50 6.002 -12.227 -6.432 1.00 72.44 C ATOM 0 H THR A 50 4.981 -11.899 -10.329 1.00 70.21 H new ATOM 0 HA THR A 50 5.746 -13.984 -8.474 1.00 11.44 H new ATOM 0 HB THR A 50 5.048 -11.069 -7.952 1.00 11.14 H new ATOM 0 HG1 THR A 50 7.370 -10.772 -8.066 1.00 23.30 H new ATOM 0 HG21 THR A 50 6.448 -11.362 -5.941 1.00 72.44 H new ATOM 0 HG22 THR A 50 5.059 -12.475 -5.944 1.00 72.44 H new ATOM 0 HG23 THR A 50 6.682 -13.075 -6.360 1.00 72.44 H new ATOM 806 N LEU A 51 2.863 -12.375 -8.100 1.00 24.40 N ATOM 807 CA LEU A 51 1.509 -12.503 -7.573 1.00 22.52 C ATOM 808 C LEU A 51 0.816 -13.736 -8.145 1.00 43.10 C ATOM 809 O LEU A 51 1.255 -14.296 -9.149 1.00 3.11 O ATOM 810 CB LEU A 51 0.694 -11.250 -7.896 1.00 43.11 C ATOM 811 CG LEU A 51 -0.558 -11.026 -7.048 1.00 32.31 C ATOM 812 CD1 LEU A 51 -0.198 -10.953 -5.572 1.00 65.13 C ATOM 813 CD2 LEU A 51 -1.280 -9.760 -7.486 1.00 21.31 C ATOM 0 H LEU A 51 3.070 -11.466 -8.515 1.00 24.40 H new ATOM 0 HA LEU A 51 1.576 -12.616 -6.491 1.00 22.52 H new ATOM 0 HB2 LEU A 51 1.343 -10.381 -7.787 1.00 43.11 H new ATOM 0 HB3 LEU A 51 0.396 -11.295 -8.943 1.00 43.11 H new ATOM 0 HG LEU A 51 -1.229 -11.872 -7.196 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -1.102 -10.793 -4.984 1.00 65.13 H new ATOM 0 HD12 LEU A 51 0.273 -11.887 -5.266 1.00 65.13 H new ATOM 0 HD13 LEU A 51 0.493 -10.126 -5.406 1.00 65.13 H new ATOM 0 HD21 LEU A 51 -2.169 -9.617 -6.871 1.00 21.31 H new ATOM 0 HD22 LEU A 51 -0.616 -8.904 -7.369 1.00 21.31 H new ATOM 0 HD23 LEU A 51 -1.573 -9.852 -8.532 1.00 21.31 H new ATOM 825 N GLU A 52 -0.270 -14.151 -7.500 1.00 65.11 N ATOM 826 CA GLU A 52 -1.024 -15.317 -7.947 1.00 5.43 C ATOM 827 C GLU A 52 -1.623 -15.080 -9.330 1.00 44.31 C ATOM 828 O GLU A 52 -1.727 -13.941 -9.785 1.00 34.21 O ATOM 829 CB GLU A 52 -2.134 -15.647 -6.948 1.00 14.45 C ATOM 830 CG GLU A 52 -3.119 -14.509 -6.735 1.00 30.15 C ATOM 831 CD GLU A 52 -4.367 -14.949 -5.995 1.00 34.13 C ATOM 832 OE1 GLU A 52 -4.232 -15.642 -4.964 1.00 74.14 O ATOM 833 OE2 GLU A 52 -5.479 -14.601 -6.445 1.00 44.04 O ATOM 0 H GLU A 52 -0.647 -13.698 -6.667 1.00 65.11 H new ATOM 0 HA GLU A 52 -0.337 -16.161 -8.008 1.00 5.43 H new ATOM 0 HB2 GLU A 52 -2.677 -16.525 -7.298 1.00 14.45 H new ATOM 0 HB3 GLU A 52 -1.684 -15.910 -5.991 1.00 14.45 H new ATOM 0 HG2 GLU A 52 -2.631 -13.711 -6.175 1.00 30.15 H new ATOM 0 HG3 GLU A 52 -3.402 -14.093 -7.702 1.00 30.15 H new TER 840 GLU A 52