USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -88:sc= 0.931 USER MOD Set 1.2: A 9 THR OG1 : rot -150:sc= -0.211 USER MOD Single : A 2 GLN : amide:sc= -0.516 K(o=-0.52,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= -0.0375 (180deg=-0.38) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.1 (180deg=-0.597) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 26:sc= 0.399 USER MOD Single : A 20 SER OG : rot 5:sc= 0.709! USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 25 ASN : amide:sc= -0.0297 X(o=-0.03,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.362) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0131 (180deg=-0.183) USER MOD Single : A 31 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0422 (180deg=-0.564) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00287 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 69:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0039 (180deg=-0.185) USER MOD Single : A 68 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.743 28.178 2.639 1.00 0.00 N ATOM 21 CA GLN A 2 26.464 29.386 3.144 1.00 0.00 C ATOM 22 C GLN A 2 25.880 29.807 4.494 1.00 0.00 C ATOM 23 O GLN A 2 24.686 29.757 4.709 1.00 0.00 O ATOM 24 CB GLN A 2 26.286 30.532 2.145 1.00 0.00 C ATOM 25 CG GLN A 2 26.772 30.092 0.763 1.00 0.00 C ATOM 26 CD GLN A 2 26.354 31.131 -0.278 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.114 30.799 -1.422 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.256 32.385 0.070 1.00 0.00 N ATOM 0 HA GLN A 2 27.522 29.153 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.237 30.825 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.846 31.406 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.856 29.980 0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.351 29.119 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.457 32.665 1.030 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.978 33.085 -0.618 1.00 0.00 H new ATOM 37 N ILE A 3 26.717 30.239 5.401 1.00 0.00 N ATOM 38 CA ILE A 3 26.229 30.685 6.738 1.00 0.00 C ATOM 39 C ILE A 3 27.052 31.910 7.155 1.00 0.00 C ATOM 40 O ILE A 3 28.089 32.184 6.582 1.00 0.00 O ATOM 41 CB ILE A 3 26.396 29.539 7.748 1.00 0.00 C ATOM 42 CG1 ILE A 3 25.564 29.829 8.992 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.861 29.393 8.153 1.00 0.00 C ATOM 44 CD1 ILE A 3 25.744 28.698 10.008 1.00 0.00 C ATOM 0 H ILE A 3 27.727 30.302 5.270 1.00 0.00 H new ATOM 0 HA ILE A 3 25.173 30.952 6.702 1.00 0.00 H new ATOM 0 HB ILE A 3 26.060 28.613 7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.869 30.778 9.432 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.512 29.926 8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 3 27.961 28.577 8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.463 29.177 7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.206 30.320 8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 3 25.148 28.908 10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 3 25.417 27.757 9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.795 28.623 10.286 1.00 0.00 H new ATOM 56 N PHE A 4 26.596 32.659 8.130 1.00 0.00 N ATOM 57 CA PHE A 4 27.346 33.880 8.568 1.00 0.00 C ATOM 58 C PHE A 4 27.589 33.820 10.075 1.00 0.00 C ATOM 59 O PHE A 4 26.887 33.147 10.796 1.00 0.00 O ATOM 60 CB PHE A 4 26.506 35.119 8.246 1.00 0.00 C ATOM 61 CG PHE A 4 26.242 35.180 6.759 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.329 34.293 6.172 1.00 0.00 C ATOM 63 CD2 PHE A 4 26.907 36.123 5.965 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.083 34.351 4.794 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.660 36.180 4.589 1.00 0.00 C ATOM 66 CZ PHE A 4 25.749 35.293 4.003 1.00 0.00 C ATOM 0 H PHE A 4 25.734 32.477 8.643 1.00 0.00 H new ATOM 0 HA PHE A 4 28.303 33.928 8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.563 35.083 8.792 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.028 36.019 8.570 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.815 33.565 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.611 36.807 6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.379 33.668 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.172 36.909 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.561 35.336 2.940 1.00 0.00 H new ATOM 76 N VAL A 5 28.584 34.520 10.558 1.00 0.00 N ATOM 77 CA VAL A 5 28.874 34.519 12.027 1.00 0.00 C ATOM 78 C VAL A 5 28.993 35.966 12.495 1.00 0.00 C ATOM 79 O VAL A 5 29.834 36.712 12.032 1.00 0.00 O ATOM 80 CB VAL A 5 30.185 33.780 12.293 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.412 33.673 13.802 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.104 32.376 11.691 1.00 0.00 C ATOM 0 H VAL A 5 29.212 35.095 9.996 1.00 0.00 H new ATOM 0 HA VAL A 5 28.072 34.016 12.567 1.00 0.00 H new ATOM 0 HB VAL A 5 31.012 34.327 11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.347 33.146 13.993 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.464 34.672 14.234 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.587 33.124 14.256 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.037 31.845 11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.278 31.831 12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.938 32.450 10.616 1.00 0.00 H new ATOM 92 N LYS A 6 28.146 36.374 13.403 1.00 0.00 N ATOM 93 CA LYS A 6 28.193 37.777 13.904 1.00 0.00 C ATOM 94 C LYS A 6 29.103 37.847 15.132 1.00 0.00 C ATOM 95 O LYS A 6 28.869 37.187 16.126 1.00 0.00 O ATOM 96 CB LYS A 6 26.778 38.214 14.285 1.00 0.00 C ATOM 97 CG LYS A 6 26.794 39.672 14.742 1.00 0.00 C ATOM 98 CD LYS A 6 25.355 40.172 14.891 1.00 0.00 C ATOM 99 CE LYS A 6 25.365 41.607 15.419 1.00 0.00 C ATOM 100 NZ LYS A 6 25.991 42.504 14.408 1.00 0.00 N ATOM 0 H LYS A 6 27.420 35.792 13.821 1.00 0.00 H new ATOM 0 HA LYS A 6 28.585 38.437 13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.109 38.098 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.393 37.577 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.322 39.762 15.691 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.331 40.286 14.019 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.843 40.131 13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.803 39.526 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.347 41.935 15.631 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.918 41.657 16.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.761 43.493 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.023 42.377 14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.626 42.269 13.463 1.00 0.00 H new ATOM 114 N THR A 7 30.144 38.638 15.073 1.00 0.00 N ATOM 115 CA THR A 7 31.074 38.748 16.239 1.00 0.00 C ATOM 116 C THR A 7 30.690 39.959 17.096 1.00 0.00 C ATOM 117 O THR A 7 29.926 40.807 16.684 1.00 0.00 O ATOM 118 CB THR A 7 32.503 38.919 15.727 1.00 0.00 C ATOM 119 OG1 THR A 7 32.525 39.939 14.743 1.00 0.00 O ATOM 120 CG2 THR A 7 32.988 37.602 15.115 1.00 0.00 C ATOM 0 H THR A 7 30.391 39.213 14.268 1.00 0.00 H new ATOM 0 HA THR A 7 31.005 37.844 16.845 1.00 0.00 H new ATOM 0 HB THR A 7 33.159 39.194 16.553 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.336 39.550 13.864 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.008 37.724 14.750 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.965 36.819 15.873 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.337 37.324 14.286 1.00 0.00 H new ATOM 128 N LEU A 8 31.212 40.043 18.290 1.00 0.00 N ATOM 129 CA LEU A 8 30.875 41.192 19.179 1.00 0.00 C ATOM 130 C LEU A 8 31.455 42.490 18.607 1.00 0.00 C ATOM 131 O LEU A 8 30.998 43.570 18.921 1.00 0.00 O ATOM 132 CB LEU A 8 31.464 40.951 20.570 1.00 0.00 C ATOM 133 CG LEU A 8 31.066 39.561 21.073 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.658 39.343 22.469 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.535 39.447 21.138 1.00 0.00 C ATOM 0 H LEU A 8 31.859 39.363 18.689 1.00 0.00 H new ATOM 0 HA LEU A 8 29.791 41.281 19.245 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.550 41.037 20.534 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.107 41.713 21.262 1.00 0.00 H new ATOM 0 HG LEU A 8 31.449 38.804 20.389 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.378 38.354 22.833 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.744 39.417 22.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.274 40.102 23.150 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.259 38.455 21.497 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.143 40.202 21.820 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.116 39.603 20.144 1.00 0.00 H new ATOM 147 N THR A 9 32.458 42.398 17.778 1.00 0.00 N ATOM 148 CA THR A 9 33.060 43.637 17.203 1.00 0.00 C ATOM 149 C THR A 9 32.218 44.116 16.020 1.00 0.00 C ATOM 150 O THR A 9 32.480 45.149 15.437 1.00 0.00 O ATOM 151 CB THR A 9 34.486 43.343 16.733 1.00 0.00 C ATOM 152 OG1 THR A 9 34.449 42.403 15.669 1.00 0.00 O ATOM 153 CG2 THR A 9 35.298 42.770 17.895 1.00 0.00 C ATOM 0 H THR A 9 32.886 41.524 17.474 1.00 0.00 H new ATOM 0 HA THR A 9 33.084 44.415 17.966 1.00 0.00 H new ATOM 0 HB THR A 9 34.952 44.265 16.386 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.268 41.866 15.679 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.314 42.560 17.560 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.326 43.493 18.710 1.00 0.00 H new ATOM 0 HG23 THR A 9 34.833 41.848 18.244 1.00 0.00 H new ATOM 161 N GLY A 10 31.198 43.379 15.666 1.00 0.00 N ATOM 162 CA GLY A 10 30.330 43.796 14.528 1.00 0.00 C ATOM 163 C GLY A 10 30.914 43.288 13.209 1.00 0.00 C ATOM 164 O GLY A 10 30.555 43.755 12.146 1.00 0.00 O ATOM 0 H GLY A 10 30.929 42.505 16.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.323 43.402 14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.246 44.882 14.503 1.00 0.00 H new ATOM 168 N LYS A 11 31.807 42.329 13.257 1.00 0.00 N ATOM 169 CA LYS A 11 32.396 41.794 11.993 1.00 0.00 C ATOM 170 C LYS A 11 31.607 40.560 11.550 1.00 0.00 C ATOM 171 O LYS A 11 31.438 39.614 12.301 1.00 0.00 O ATOM 172 CB LYS A 11 33.859 41.400 12.225 1.00 0.00 C ATOM 173 CG LYS A 11 34.685 42.648 12.538 1.00 0.00 C ATOM 174 CD LYS A 11 36.127 42.238 12.848 1.00 0.00 C ATOM 175 CE LYS A 11 36.957 43.484 13.157 1.00 0.00 C ATOM 176 NZ LYS A 11 36.986 44.369 11.959 1.00 0.00 N ATOM 0 H LYS A 11 32.151 41.896 14.114 1.00 0.00 H new ATOM 0 HA LYS A 11 32.348 42.562 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.928 40.690 13.049 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.256 40.902 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.664 43.333 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.255 43.178 13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.147 41.555 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.555 41.704 11.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.530 44.017 14.006 1.00 0.00 H new ATOM 0 HE3 LYS A 11 37.971 43.199 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.782 45.033 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.101 43.790 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.095 44.902 11.900 1.00 0.00 H new ATOM 190 N THR A 12 31.121 40.566 10.336 1.00 0.00 N ATOM 191 CA THR A 12 30.342 39.399 9.821 1.00 0.00 C ATOM 192 C THR A 12 31.245 38.554 8.924 1.00 0.00 C ATOM 193 O THR A 12 31.780 39.034 7.944 1.00 0.00 O ATOM 194 CB THR A 12 29.149 39.902 9.003 1.00 0.00 C ATOM 195 OG1 THR A 12 28.352 40.758 9.810 1.00 0.00 O ATOM 196 CG2 THR A 12 28.307 38.712 8.536 1.00 0.00 C ATOM 0 H THR A 12 31.231 41.334 9.674 1.00 0.00 H new ATOM 0 HA THR A 12 29.983 38.800 10.658 1.00 0.00 H new ATOM 0 HB THR A 12 29.511 40.451 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.589 41.083 9.288 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.459 39.073 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 28.918 38.054 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.944 38.161 9.403 1.00 0.00 H new ATOM 204 N ILE A 13 31.418 37.296 9.251 1.00 0.00 N ATOM 205 CA ILE A 13 32.289 36.405 8.419 1.00 0.00 C ATOM 206 C ILE A 13 31.422 35.399 7.666 1.00 0.00 C ATOM 207 O ILE A 13 30.446 34.898 8.185 1.00 0.00 O ATOM 208 CB ILE A 13 33.262 35.652 9.325 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.850 36.629 10.345 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.388 35.050 8.474 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.984 35.951 11.114 1.00 0.00 C ATOM 0 H ILE A 13 30.992 36.846 10.061 1.00 0.00 H new ATOM 0 HA ILE A 13 32.847 37.012 7.706 1.00 0.00 H new ATOM 0 HB ILE A 13 32.740 34.850 9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.223 37.519 9.838 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.075 36.958 11.037 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.083 34.512 9.118 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.964 34.361 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.918 35.848 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.400 36.650 11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.598 35.075 11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.764 35.644 10.417 1.00 0.00 H new ATOM 223 N THR A 14 31.776 35.106 6.442 1.00 0.00 N ATOM 224 CA THR A 14 30.984 34.132 5.628 1.00 0.00 C ATOM 225 C THR A 14 31.721 32.798 5.568 1.00 0.00 C ATOM 226 O THR A 14 32.882 32.735 5.211 1.00 0.00 O ATOM 227 CB THR A 14 30.819 34.681 4.208 1.00 0.00 C ATOM 228 OG1 THR A 14 32.099 34.830 3.609 1.00 0.00 O ATOM 229 CG2 THR A 14 30.118 36.038 4.261 1.00 0.00 C ATOM 0 H THR A 14 32.586 35.502 5.966 1.00 0.00 H new ATOM 0 HA THR A 14 30.005 33.986 6.085 1.00 0.00 H new ATOM 0 HB THR A 14 30.219 33.988 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.727 34.199 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.002 36.427 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.136 35.923 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.715 36.733 4.851 1.00 0.00 H new ATOM 237 N LEU A 15 31.055 31.728 5.921 1.00 0.00 N ATOM 238 CA LEU A 15 31.705 30.378 5.899 1.00 0.00 C ATOM 239 C LEU A 15 30.817 29.390 5.140 1.00 0.00 C ATOM 240 O LEU A 15 29.605 29.483 5.156 1.00 0.00 O ATOM 241 CB LEU A 15 31.875 29.871 7.337 1.00 0.00 C ATOM 242 CG LEU A 15 32.932 30.709 8.084 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.686 30.612 9.594 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.343 30.180 7.781 1.00 0.00 C ATOM 0 H LEU A 15 30.082 31.730 6.226 1.00 0.00 H new ATOM 0 HA LEU A 15 32.675 30.459 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.922 29.925 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.174 28.823 7.326 1.00 0.00 H new ATOM 0 HG LEU A 15 32.854 31.745 7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.433 31.204 10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.691 30.992 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.759 29.571 9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.079 30.781 8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.419 29.142 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.532 30.242 6.709 1.00 0.00 H new ATOM 256 N GLU A 16 31.422 28.417 4.510 1.00 0.00 N ATOM 257 CA GLU A 16 30.643 27.377 3.776 1.00 0.00 C ATOM 258 C GLU A 16 30.654 26.121 4.638 1.00 0.00 C ATOM 259 O GLU A 16 31.701 25.637 5.020 1.00 0.00 O ATOM 260 CB GLU A 16 31.307 27.080 2.430 1.00 0.00 C ATOM 261 CG GLU A 16 31.194 28.305 1.521 1.00 0.00 C ATOM 262 CD GLU A 16 31.872 28.009 0.182 1.00 0.00 C ATOM 263 OE1 GLU A 16 31.999 26.843 -0.151 1.00 0.00 O ATOM 264 OE2 GLU A 16 32.256 28.955 -0.488 1.00 0.00 O ATOM 0 H GLU A 16 32.434 28.298 4.473 1.00 0.00 H new ATOM 0 HA GLU A 16 29.625 27.717 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.355 26.821 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.830 26.220 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.146 28.558 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.662 29.168 1.995 1.00 0.00 H new ATOM 271 N VAL A 17 29.509 25.606 4.986 1.00 0.00 N ATOM 272 CA VAL A 17 29.474 24.402 5.867 1.00 0.00 C ATOM 273 C VAL A 17 28.304 23.496 5.477 1.00 0.00 C ATOM 274 O VAL A 17 27.408 23.887 4.756 1.00 0.00 O ATOM 275 CB VAL A 17 29.320 24.882 7.316 1.00 0.00 C ATOM 276 CG1 VAL A 17 28.229 25.950 7.378 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.944 23.714 8.235 1.00 0.00 C ATOM 0 H VAL A 17 28.597 25.964 4.701 1.00 0.00 H new ATOM 0 HA VAL A 17 30.393 23.826 5.759 1.00 0.00 H new ATOM 0 HB VAL A 17 30.270 25.298 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 17 28.115 26.295 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 17 28.506 26.791 6.742 1.00 0.00 H new ATOM 0 HG13 VAL A 17 27.286 25.528 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.839 24.075 9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.000 23.281 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.725 22.955 8.196 1.00 0.00 H new ATOM 287 N GLU A 18 28.315 22.286 5.974 1.00 0.00 N ATOM 288 CA GLU A 18 27.220 21.315 5.677 1.00 0.00 C ATOM 289 C GLU A 18 26.402 21.105 6.957 1.00 0.00 C ATOM 290 O GLU A 18 26.920 21.235 8.048 1.00 0.00 O ATOM 291 CB GLU A 18 27.844 19.984 5.243 1.00 0.00 C ATOM 292 CG GLU A 18 28.368 20.106 3.811 1.00 0.00 C ATOM 293 CD GLU A 18 29.054 18.800 3.406 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.347 17.857 3.088 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.273 18.766 3.421 1.00 0.00 O ATOM 0 H GLU A 18 29.049 21.924 6.583 1.00 0.00 H new ATOM 0 HA GLU A 18 26.577 21.691 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.657 19.715 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.103 19.187 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.546 20.324 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.071 20.936 3.739 1.00 0.00 H new ATOM 302 N PRO A 19 25.142 20.775 6.842 1.00 0.00 N ATOM 303 CA PRO A 19 24.267 20.544 8.032 1.00 0.00 C ATOM 304 C PRO A 19 24.685 19.281 8.793 1.00 0.00 C ATOM 305 O PRO A 19 24.487 19.165 9.986 1.00 0.00 O ATOM 306 CB PRO A 19 22.874 20.372 7.414 1.00 0.00 C ATOM 307 CG PRO A 19 23.154 19.838 6.054 1.00 0.00 C ATOM 308 CD PRO A 19 24.399 20.578 5.586 1.00 0.00 C ATOM 0 HA PRO A 19 24.319 21.354 8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.260 19.684 7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.336 21.319 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.322 18.761 6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.315 20.014 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 19 24.970 19.995 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.152 21.526 5.107 1.00 0.00 H new ATOM 316 N SER A 20 25.261 18.334 8.104 1.00 0.00 N ATOM 317 CA SER A 20 25.698 17.078 8.773 1.00 0.00 C ATOM 318 C SER A 20 27.091 17.288 9.365 1.00 0.00 C ATOM 319 O SER A 20 27.646 16.412 9.998 1.00 0.00 O ATOM 320 CB SER A 20 25.745 15.947 7.745 1.00 0.00 C ATOM 321 OG SER A 20 26.522 14.875 8.262 1.00 0.00 O ATOM 0 H SER A 20 25.448 18.377 7.102 1.00 0.00 H new ATOM 0 HA SER A 20 24.997 16.817 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.736 15.604 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.176 16.307 6.811 1.00 0.00 H new ATOM 0 HG SER A 20 26.782 15.075 9.185 1.00 0.00 H new ATOM 327 N ASP A 21 27.661 18.444 9.164 1.00 0.00 N ATOM 328 CA ASP A 21 29.020 18.699 9.723 1.00 0.00 C ATOM 329 C ASP A 21 28.947 18.625 11.253 1.00 0.00 C ATOM 330 O ASP A 21 27.945 18.972 11.857 1.00 0.00 O ATOM 331 CB ASP A 21 29.531 20.084 9.276 1.00 0.00 C ATOM 332 CG ASP A 21 31.068 20.106 9.263 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.656 19.091 8.927 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.628 21.140 9.586 1.00 0.00 O ATOM 0 H ASP A 21 27.250 19.218 8.642 1.00 0.00 H new ATOM 0 HA ASP A 21 29.716 17.946 9.353 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.149 20.317 8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.155 20.853 9.951 1.00 0.00 H new ATOM 339 N THR A 22 29.998 18.168 11.883 1.00 0.00 N ATOM 340 CA THR A 22 29.999 18.060 13.372 1.00 0.00 C ATOM 341 C THR A 22 30.491 19.375 13.978 1.00 0.00 C ATOM 342 O THR A 22 31.367 20.022 13.444 1.00 0.00 O ATOM 343 CB THR A 22 30.938 16.925 13.795 1.00 0.00 C ATOM 344 OG1 THR A 22 32.263 17.227 13.376 1.00 0.00 O ATOM 345 CG2 THR A 22 30.484 15.616 13.148 1.00 0.00 C ATOM 0 H THR A 22 30.859 17.864 11.428 1.00 0.00 H new ATOM 0 HA THR A 22 28.988 17.853 13.724 1.00 0.00 H new ATOM 0 HB THR A 22 30.914 16.819 14.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.865 16.503 13.647 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.153 14.810 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.468 15.384 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.507 15.719 12.063 1.00 0.00 H new ATOM 353 N ILE A 23 29.935 19.778 15.089 1.00 0.00 N ATOM 354 CA ILE A 23 30.379 21.058 15.719 1.00 0.00 C ATOM 355 C ILE A 23 31.917 21.048 15.814 1.00 0.00 C ATOM 356 O ILE A 23 32.573 22.033 15.542 1.00 0.00 O ATOM 357 CB ILE A 23 29.750 21.180 17.127 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.306 21.707 17.028 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.568 22.147 17.997 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.461 20.797 16.137 1.00 0.00 C ATOM 0 H ILE A 23 29.196 19.280 15.586 1.00 0.00 H new ATOM 0 HA ILE A 23 30.059 21.911 15.121 1.00 0.00 H new ATOM 0 HB ILE A 23 29.748 20.189 17.580 1.00 0.00 H new ATOM 0 HG12 ILE A 23 27.864 21.763 18.023 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.310 22.719 16.624 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.113 22.222 18.984 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.588 21.774 18.095 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.585 23.132 17.530 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.444 21.186 16.080 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.894 20.763 15.137 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.442 19.792 16.558 1.00 0.00 H new ATOM 372 N GLU A 24 32.488 19.937 16.194 1.00 0.00 N ATOM 373 CA GLU A 24 33.972 19.848 16.308 1.00 0.00 C ATOM 374 C GLU A 24 34.609 20.126 14.948 1.00 0.00 C ATOM 375 O GLU A 24 35.575 20.854 14.837 1.00 0.00 O ATOM 376 CB GLU A 24 34.353 18.435 16.756 1.00 0.00 C ATOM 377 CG GLU A 24 35.807 18.422 17.236 1.00 0.00 C ATOM 378 CD GLU A 24 36.192 17.003 17.657 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.366 16.117 17.509 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.306 16.825 18.122 1.00 0.00 O ATOM 0 H GLU A 24 31.986 19.081 16.432 1.00 0.00 H new ATOM 0 HA GLU A 24 34.326 20.581 17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.692 18.106 17.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.226 17.734 15.931 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.467 18.769 16.441 1.00 0.00 H new ATOM 0 HG3 GLU A 24 35.931 19.108 18.074 1.00 0.00 H new ATOM 387 N ASN A 25 34.070 19.554 13.910 1.00 0.00 N ATOM 388 CA ASN A 25 34.643 19.788 12.553 1.00 0.00 C ATOM 389 C ASN A 25 34.421 21.244 12.150 1.00 0.00 C ATOM 390 O ASN A 25 35.277 21.873 11.562 1.00 0.00 O ATOM 391 CB ASN A 25 33.957 18.876 11.531 1.00 0.00 C ATOM 392 CG ASN A 25 34.668 18.999 10.182 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.280 19.794 9.349 1.00 0.00 O ATOM 394 ND2 ASN A 25 35.700 18.241 9.929 1.00 0.00 N ATOM 0 H ASN A 25 33.259 18.936 13.940 1.00 0.00 H new ATOM 0 HA ASN A 25 35.710 19.568 12.576 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.983 17.842 11.875 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.908 19.152 11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.180 18.316 9.032 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.026 17.574 10.628 1.00 0.00 H new ATOM 401 N VAL A 26 33.274 21.783 12.458 1.00 0.00 N ATOM 402 CA VAL A 26 32.994 23.197 12.085 1.00 0.00 C ATOM 403 C VAL A 26 33.960 24.124 12.824 1.00 0.00 C ATOM 404 O VAL A 26 34.365 25.147 12.308 1.00 0.00 O ATOM 405 CB VAL A 26 31.553 23.553 12.459 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.261 24.996 12.046 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.589 22.616 11.726 1.00 0.00 C ATOM 0 H VAL A 26 32.519 21.306 12.951 1.00 0.00 H new ATOM 0 HA VAL A 26 33.128 23.319 11.010 1.00 0.00 H new ATOM 0 HB VAL A 26 31.422 23.445 13.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.235 25.250 12.312 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.947 25.668 12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.393 25.100 10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.563 22.869 11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.723 22.726 10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.795 21.585 12.014 1.00 0.00 H new ATOM 417 N LYS A 27 34.346 23.773 14.024 1.00 0.00 N ATOM 418 CA LYS A 27 35.295 24.632 14.782 1.00 0.00 C ATOM 419 C LYS A 27 36.661 24.522 14.118 1.00 0.00 C ATOM 420 O LYS A 27 37.416 25.471 14.040 1.00 0.00 O ATOM 421 CB LYS A 27 35.377 24.135 16.233 1.00 0.00 C ATOM 422 CG LYS A 27 34.187 24.670 17.034 1.00 0.00 C ATOM 423 CD LYS A 27 34.225 24.087 18.448 1.00 0.00 C ATOM 424 CE LYS A 27 33.082 24.674 19.277 1.00 0.00 C ATOM 425 NZ LYS A 27 33.085 24.057 20.634 1.00 0.00 N ATOM 0 H LYS A 27 34.043 22.928 14.509 1.00 0.00 H new ATOM 0 HA LYS A 27 34.962 25.670 14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.380 23.045 16.254 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.311 24.465 16.688 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.222 25.759 17.076 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.252 24.400 16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.137 23.001 18.407 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.182 24.312 18.919 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.195 25.755 19.357 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.128 24.489 18.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.122 24.075 21.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.413 23.072 20.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.722 24.593 21.257 1.00 0.00 H new ATOM 439 N ALA A 28 36.964 23.363 13.620 1.00 0.00 N ATOM 440 CA ALA A 28 38.259 23.155 12.931 1.00 0.00 C ATOM 441 C ALA A 28 38.311 24.070 11.706 1.00 0.00 C ATOM 442 O ALA A 28 39.281 24.762 11.470 1.00 0.00 O ATOM 443 CB ALA A 28 38.336 21.696 12.496 1.00 0.00 C ATOM 0 H ALA A 28 36.362 22.541 13.662 1.00 0.00 H new ATOM 0 HA ALA A 28 39.096 23.387 13.589 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.282 21.518 11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.270 21.051 13.372 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.511 21.474 11.819 1.00 0.00 H new ATOM 449 N LYS A 29 37.261 24.068 10.929 1.00 0.00 N ATOM 450 CA LYS A 29 37.217 24.929 9.715 1.00 0.00 C ATOM 451 C LYS A 29 37.497 26.378 10.114 1.00 0.00 C ATOM 452 O LYS A 29 38.306 27.056 9.509 1.00 0.00 O ATOM 453 CB LYS A 29 35.825 24.845 9.079 1.00 0.00 C ATOM 454 CG LYS A 29 35.480 23.383 8.728 1.00 0.00 C ATOM 455 CD LYS A 29 36.046 23.012 7.344 1.00 0.00 C ATOM 456 CE LYS A 29 35.066 23.431 6.240 1.00 0.00 C ATOM 457 NZ LYS A 29 33.914 22.486 6.217 1.00 0.00 N ATOM 0 H LYS A 29 36.427 23.502 11.086 1.00 0.00 H new ATOM 0 HA LYS A 29 37.968 24.589 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.080 25.246 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.792 25.459 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.889 22.715 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.399 23.247 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.007 23.503 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.225 21.938 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.714 24.447 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.569 23.432 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.426 22.556 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.259 21.514 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.252 22.727 6.982 1.00 0.00 H new ATOM 471 N ILE A 30 36.828 26.863 11.123 1.00 0.00 N ATOM 472 CA ILE A 30 37.047 28.270 11.557 1.00 0.00 C ATOM 473 C ILE A 30 38.467 28.426 12.100 1.00 0.00 C ATOM 474 O ILE A 30 39.107 29.436 11.899 1.00 0.00 O ATOM 475 CB ILE A 30 36.040 28.627 12.651 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.623 28.517 12.082 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.288 30.065 13.126 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.600 28.620 13.215 1.00 0.00 C ATOM 0 H ILE A 30 36.138 26.344 11.666 1.00 0.00 H new ATOM 0 HA ILE A 30 36.912 28.936 10.705 1.00 0.00 H new ATOM 0 HB ILE A 30 36.154 27.943 13.492 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.452 29.308 11.352 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.504 27.569 11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.570 30.319 13.906 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.300 30.148 13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.170 30.751 12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.593 28.541 12.805 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.765 27.813 13.929 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.712 29.579 13.720 1.00 0.00 H new ATOM 490 N GLN A 31 38.961 27.437 12.790 1.00 0.00 N ATOM 491 CA GLN A 31 40.338 27.531 13.350 1.00 0.00 C ATOM 492 C GLN A 31 41.351 27.672 12.209 1.00 0.00 C ATOM 493 O GLN A 31 42.218 28.517 12.238 1.00 0.00 O ATOM 494 CB GLN A 31 40.639 26.254 14.143 1.00 0.00 C ATOM 495 CG GLN A 31 41.981 26.391 14.867 1.00 0.00 C ATOM 496 CD GLN A 31 42.345 25.053 15.514 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.775 25.010 16.650 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.189 23.949 14.835 1.00 0.00 N ATOM 0 H GLN A 31 38.470 26.566 12.991 1.00 0.00 H new ATOM 0 HA GLN A 31 40.411 28.401 14.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 39.844 26.069 14.865 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.665 25.396 13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.758 26.691 14.164 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.920 27.171 15.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.828 23.983 13.882 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.428 23.052 15.258 1.00 0.00 H new ATOM 507 N ASP A 32 41.256 26.836 11.214 1.00 0.00 N ATOM 508 CA ASP A 32 42.226 26.900 10.083 1.00 0.00 C ATOM 509 C ASP A 32 42.048 28.191 9.275 1.00 0.00 C ATOM 510 O ASP A 32 42.995 28.718 8.727 1.00 0.00 O ATOM 511 CB ASP A 32 42.008 25.696 9.166 1.00 0.00 C ATOM 512 CG ASP A 32 42.411 24.415 9.898 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.553 24.331 10.319 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.570 23.540 10.028 1.00 0.00 O ATOM 0 H ASP A 32 40.546 26.108 11.134 1.00 0.00 H new ATOM 0 HA ASP A 32 43.236 26.887 10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.962 25.641 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.597 25.808 8.256 1.00 0.00 H new ATOM 519 N LYS A 33 40.847 28.692 9.163 1.00 0.00 N ATOM 520 CA LYS A 33 40.630 29.931 8.351 1.00 0.00 C ATOM 521 C LYS A 33 40.907 31.193 9.180 1.00 0.00 C ATOM 522 O LYS A 33 41.557 32.110 8.716 1.00 0.00 O ATOM 523 CB LYS A 33 39.181 29.955 7.847 1.00 0.00 C ATOM 524 CG LYS A 33 38.899 28.706 6.991 1.00 0.00 C ATOM 525 CD LYS A 33 39.376 28.930 5.549 1.00 0.00 C ATOM 526 CE LYS A 33 39.026 27.707 4.700 1.00 0.00 C ATOM 527 NZ LYS A 33 39.603 27.869 3.336 1.00 0.00 N ATOM 0 H LYS A 33 40.009 28.302 9.595 1.00 0.00 H new ATOM 0 HA LYS A 33 41.322 29.920 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.494 29.989 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 33 39.007 30.856 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.406 27.841 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.832 28.485 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.906 29.821 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.452 29.101 5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.417 26.803 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.944 27.592 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.366 27.038 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.210 28.723 2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.637 27.959 3.405 1.00 0.00 H new ATOM 541 N GLU A 34 40.418 31.266 10.390 1.00 0.00 N ATOM 542 CA GLU A 34 40.658 32.489 11.221 1.00 0.00 C ATOM 543 C GLU A 34 41.960 32.332 12.013 1.00 0.00 C ATOM 544 O GLU A 34 42.603 33.300 12.368 1.00 0.00 O ATOM 545 CB GLU A 34 39.483 32.692 12.179 1.00 0.00 C ATOM 546 CG GLU A 34 38.219 33.002 11.371 1.00 0.00 C ATOM 547 CD GLU A 34 38.349 34.383 10.724 1.00 0.00 C ATOM 548 OE1 GLU A 34 39.063 35.207 11.270 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.734 34.591 9.690 1.00 0.00 O ATOM 0 H GLU A 34 39.865 30.537 10.840 1.00 0.00 H new ATOM 0 HA GLU A 34 40.745 33.359 10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.332 31.797 12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.698 33.509 12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.070 32.242 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.344 32.974 12.021 1.00 0.00 H new ATOM 556 N GLY A 35 42.366 31.119 12.270 1.00 0.00 N ATOM 557 CA GLY A 35 43.643 30.897 13.012 1.00 0.00 C ATOM 558 C GLY A 35 43.436 31.040 14.524 1.00 0.00 C ATOM 559 O GLY A 35 44.369 30.914 15.294 1.00 0.00 O ATOM 0 H GLY A 35 41.869 30.270 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 35 44.029 29.903 12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.392 31.614 12.675 1.00 0.00 H new ATOM 563 N ILE A 36 42.234 31.302 14.971 1.00 0.00 N ATOM 564 CA ILE A 36 42.008 31.446 16.444 1.00 0.00 C ATOM 565 C ILE A 36 41.708 30.058 17.040 1.00 0.00 C ATOM 566 O ILE A 36 40.928 29.312 16.479 1.00 0.00 O ATOM 567 CB ILE A 36 40.814 32.379 16.679 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.023 33.679 15.896 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.695 32.702 18.171 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.801 34.582 16.067 1.00 0.00 C ATOM 0 H ILE A 36 41.406 31.422 14.388 1.00 0.00 H new ATOM 0 HA ILE A 36 42.894 31.865 16.922 1.00 0.00 H new ATOM 0 HB ILE A 36 39.902 31.887 16.341 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.918 34.190 16.251 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.180 33.458 14.840 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.845 33.365 18.333 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.547 31.779 18.732 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.607 33.192 18.511 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.951 35.507 15.509 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.915 34.071 15.690 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.665 34.813 17.123 1.00 0.00 H new ATOM 582 N PRO A 37 42.311 29.688 18.156 1.00 0.00 N ATOM 583 CA PRO A 37 42.065 28.347 18.771 1.00 0.00 C ATOM 584 C PRO A 37 40.649 28.234 19.362 1.00 0.00 C ATOM 585 O PRO A 37 40.042 29.222 19.728 1.00 0.00 O ATOM 586 CB PRO A 37 43.130 28.247 19.875 1.00 0.00 C ATOM 587 CG PRO A 37 43.434 29.663 20.240 1.00 0.00 C ATOM 588 CD PRO A 37 43.277 30.476 18.952 1.00 0.00 C ATOM 0 HA PRO A 37 42.132 27.543 18.038 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.758 27.688 20.734 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.021 27.730 19.519 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.753 30.021 21.012 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.445 29.755 20.638 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.904 31.480 19.155 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.228 30.589 18.431 1.00 0.00 H new ATOM 596 N PRO A 38 40.127 27.039 19.457 1.00 0.00 N ATOM 597 CA PRO A 38 38.765 26.800 20.011 1.00 0.00 C ATOM 598 C PRO A 38 38.697 27.060 21.516 1.00 0.00 C ATOM 599 O PRO A 38 37.631 27.226 22.074 1.00 0.00 O ATOM 600 CB PRO A 38 38.498 25.328 19.686 1.00 0.00 C ATOM 601 CG PRO A 38 39.850 24.722 19.686 1.00 0.00 C ATOM 602 CD PRO A 38 40.766 25.770 19.064 1.00 0.00 C ATOM 0 HA PRO A 38 38.022 27.474 19.584 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.850 24.864 20.430 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.007 25.213 18.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.169 24.473 20.698 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.865 23.796 19.111 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.784 25.695 19.446 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.823 25.665 17.981 1.00 0.00 H new ATOM 610 N ASP A 39 39.817 27.093 22.190 1.00 0.00 N ATOM 611 CA ASP A 39 39.788 27.336 23.655 1.00 0.00 C ATOM 612 C ASP A 39 39.614 28.831 23.939 1.00 0.00 C ATOM 613 O ASP A 39 39.482 29.239 25.077 1.00 0.00 O ATOM 614 CB ASP A 39 41.092 26.833 24.268 1.00 0.00 C ATOM 615 CG ASP A 39 41.131 25.306 24.172 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.083 24.695 24.316 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.205 24.772 23.949 1.00 0.00 O ATOM 0 H ASP A 39 40.745 26.962 21.788 1.00 0.00 H new ATOM 0 HA ASP A 39 38.947 26.802 24.097 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.945 27.265 23.745 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.164 27.147 25.309 1.00 0.00 H new ATOM 622 N GLN A 40 39.617 29.655 22.915 1.00 0.00 N ATOM 623 CA GLN A 40 39.462 31.133 23.122 1.00 0.00 C ATOM 624 C GLN A 40 38.075 31.601 22.672 1.00 0.00 C ATOM 625 O GLN A 40 37.555 32.581 23.170 1.00 0.00 O ATOM 626 CB GLN A 40 40.525 31.852 22.292 1.00 0.00 C ATOM 627 CG GLN A 40 41.892 31.665 22.949 1.00 0.00 C ATOM 628 CD GLN A 40 41.950 32.485 24.239 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.789 33.690 24.214 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.168 31.879 25.373 1.00 0.00 N ATOM 0 H GLN A 40 39.720 29.366 21.942 1.00 0.00 H new ATOM 0 HA GLN A 40 39.578 31.360 24.182 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.540 31.455 21.277 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.287 32.913 22.216 1.00 0.00 H new ATOM 0 HG2 GLN A 40 42.062 30.611 23.167 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.682 31.981 22.268 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.303 30.868 25.393 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.203 32.416 26.240 1.00 0.00 H new ATOM 639 N GLN A 41 37.480 30.920 21.728 1.00 0.00 N ATOM 640 CA GLN A 41 36.130 31.333 21.220 1.00 0.00 C ATOM 641 C GLN A 41 35.073 30.293 21.593 1.00 0.00 C ATOM 642 O GLN A 41 35.334 29.106 21.620 1.00 0.00 O ATOM 643 CB GLN A 41 36.189 31.451 19.694 1.00 0.00 C ATOM 644 CG GLN A 41 36.729 30.148 19.097 1.00 0.00 C ATOM 645 CD GLN A 41 36.693 30.228 17.570 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.619 29.807 16.907 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.655 30.755 16.981 1.00 0.00 N ATOM 0 H GLN A 41 37.870 30.090 21.282 1.00 0.00 H new ATOM 0 HA GLN A 41 35.861 32.289 21.670 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.196 31.660 19.297 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.829 32.286 19.408 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.750 29.976 19.438 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.131 29.304 19.441 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.877 31.109 17.538 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.621 30.813 15.963 1.00 0.00 H new ATOM 656 N ARG A 42 33.865 30.740 21.845 1.00 0.00 N ATOM 657 CA ARG A 42 32.754 29.804 22.177 1.00 0.00 C ATOM 658 C ARG A 42 31.583 30.130 21.241 1.00 0.00 C ATOM 659 O ARG A 42 31.096 31.244 21.198 1.00 0.00 O ATOM 660 CB ARG A 42 32.353 29.959 23.674 1.00 0.00 C ATOM 661 CG ARG A 42 32.655 28.662 24.451 1.00 0.00 C ATOM 662 CD ARG A 42 31.988 27.460 23.746 1.00 0.00 C ATOM 663 NE ARG A 42 31.271 26.588 24.706 1.00 0.00 N ATOM 664 CZ ARG A 42 30.993 25.352 24.352 1.00 0.00 C ATOM 665 NH1 ARG A 42 30.032 24.687 24.924 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.706 24.745 23.448 1.00 0.00 N ATOM 0 H ARG A 42 33.603 31.726 21.833 1.00 0.00 H new ATOM 0 HA ARG A 42 33.058 28.767 22.036 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.898 30.792 24.118 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.292 30.197 23.750 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.732 28.507 24.512 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.286 28.746 25.473 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.289 27.823 22.992 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.747 26.878 23.223 1.00 0.00 H new ATOM 0 HE ARG A 42 30.998 26.940 25.624 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.478 25.123 25.661 1.00 0.00 H new ATOM 0 HH12 ARG A 42 29.832 23.729 24.635 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.489 25.228 23.007 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.482 23.786 23.181 1.00 0.00 H new ATOM 680 N LEU A 43 31.160 29.170 20.459 1.00 0.00 N ATOM 681 CA LEU A 43 30.059 29.415 19.481 1.00 0.00 C ATOM 682 C LEU A 43 28.693 29.113 20.110 1.00 0.00 C ATOM 683 O LEU A 43 28.451 28.034 20.623 1.00 0.00 O ATOM 684 CB LEU A 43 30.275 28.514 18.263 1.00 0.00 C ATOM 685 CG LEU A 43 31.728 28.623 17.784 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.931 27.728 16.558 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.046 30.078 17.412 1.00 0.00 C ATOM 0 H LEU A 43 31.533 28.221 20.457 1.00 0.00 H new ATOM 0 HA LEU A 43 30.072 30.464 19.184 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.044 27.480 18.519 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.596 28.803 17.461 1.00 0.00 H new ATOM 0 HG LEU A 43 32.394 28.302 18.585 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.964 27.806 16.218 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.713 26.693 16.823 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.261 28.047 15.760 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.079 30.149 17.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.379 30.404 16.614 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.906 30.716 18.285 1.00 0.00 H new ATOM 699 N ILE A 44 27.791 30.066 20.055 1.00 0.00 N ATOM 700 CA ILE A 44 26.423 29.871 20.629 1.00 0.00 C ATOM 701 C ILE A 44 25.380 30.024 19.518 1.00 0.00 C ATOM 702 O ILE A 44 25.448 30.928 18.707 1.00 0.00 O ATOM 703 CB ILE A 44 26.159 30.929 21.712 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.052 30.654 22.936 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.685 30.872 22.144 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.531 30.959 22.631 1.00 0.00 C ATOM 0 H ILE A 44 27.948 30.981 19.632 1.00 0.00 H new ATOM 0 HA ILE A 44 26.356 28.875 21.067 1.00 0.00 H new ATOM 0 HB ILE A 44 26.385 31.915 21.307 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.719 31.263 23.776 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.948 29.612 23.237 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.502 31.623 22.912 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.046 31.069 21.283 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.461 29.883 22.543 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.135 30.755 23.515 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.870 30.331 21.807 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.637 32.008 22.354 1.00 0.00 H new ATOM 718 N PHE A 45 24.403 29.157 19.502 1.00 0.00 N ATOM 719 CA PHE A 45 23.315 29.232 18.477 1.00 0.00 C ATOM 720 C PHE A 45 22.000 29.435 19.222 1.00 0.00 C ATOM 721 O PHE A 45 21.750 28.798 20.227 1.00 0.00 O ATOM 722 CB PHE A 45 23.253 27.925 17.679 1.00 0.00 C ATOM 723 CG PHE A 45 22.000 27.919 16.832 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.967 28.626 15.626 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.867 27.218 17.265 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.801 28.634 14.850 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.702 27.224 16.489 1.00 0.00 C ATOM 728 CZ PHE A 45 19.669 27.932 15.282 1.00 0.00 C ATOM 0 H PHE A 45 24.309 28.387 20.165 1.00 0.00 H new ATOM 0 HA PHE A 45 23.502 30.051 17.783 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.135 27.829 17.046 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.253 27.071 18.356 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.841 29.166 15.293 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.892 26.673 18.197 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.775 29.181 13.919 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.829 26.682 16.822 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.770 27.937 14.684 1.00 0.00 H new ATOM 738 N ALA A 46 21.158 30.317 18.756 1.00 0.00 N ATOM 739 CA ALA A 46 19.870 30.553 19.465 1.00 0.00 C ATOM 740 C ALA A 46 20.158 30.726 20.960 1.00 0.00 C ATOM 741 O ALA A 46 20.757 31.700 21.368 1.00 0.00 O ATOM 742 CB ALA A 46 18.937 29.360 19.235 1.00 0.00 C ATOM 0 H ALA A 46 21.306 30.881 17.919 1.00 0.00 H new ATOM 0 HA ALA A 46 19.386 31.452 19.084 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.993 29.531 19.753 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.749 29.246 18.167 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.404 28.454 19.620 1.00 0.00 H new ATOM 748 N GLY A 47 19.733 29.794 21.778 1.00 0.00 N ATOM 749 CA GLY A 47 19.972 29.896 23.251 1.00 0.00 C ATOM 750 C GLY A 47 20.706 28.646 23.745 1.00 0.00 C ATOM 751 O GLY A 47 20.551 28.245 24.882 1.00 0.00 O ATOM 0 H GLY A 47 19.226 28.959 21.485 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.561 30.786 23.472 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.023 30.003 23.776 1.00 0.00 H new ATOM 755 N LYS A 48 21.520 28.032 22.911 1.00 0.00 N ATOM 756 CA LYS A 48 22.281 26.813 23.351 1.00 0.00 C ATOM 757 C LYS A 48 23.743 26.962 22.970 1.00 0.00 C ATOM 758 O LYS A 48 24.092 27.541 21.962 1.00 0.00 O ATOM 759 CB LYS A 48 21.744 25.528 22.679 1.00 0.00 C ATOM 760 CG LYS A 48 20.472 25.026 23.394 1.00 0.00 C ATOM 761 CD LYS A 48 19.222 25.641 22.751 1.00 0.00 C ATOM 762 CE LYS A 48 17.975 25.162 23.496 1.00 0.00 C ATOM 763 NZ LYS A 48 18.017 25.659 24.900 1.00 0.00 N ATOM 0 H LYS A 48 21.689 28.322 21.948 1.00 0.00 H new ATOM 0 HA LYS A 48 22.160 26.727 24.431 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.523 25.726 21.630 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.510 24.753 22.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.420 23.939 23.338 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.513 25.289 24.451 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.282 26.729 22.783 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.163 25.356 21.701 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.077 25.526 22.996 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.927 24.073 23.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.054 25.671 25.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.617 25.031 25.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.409 26.622 24.916 1.00 0.00 H new ATOM 777 N GLN A 49 24.595 26.404 23.773 1.00 0.00 N ATOM 778 CA GLN A 49 26.049 26.456 23.483 1.00 0.00 C ATOM 779 C GLN A 49 26.409 25.235 22.648 1.00 0.00 C ATOM 780 O GLN A 49 26.261 24.108 23.080 1.00 0.00 O ATOM 781 CB GLN A 49 26.837 26.440 24.781 1.00 0.00 C ATOM 782 CG GLN A 49 26.265 27.491 25.727 1.00 0.00 C ATOM 783 CD GLN A 49 27.112 27.557 27.000 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.321 27.454 26.945 1.00 0.00 O ATOM 785 NE2 GLN A 49 26.522 27.724 28.152 1.00 0.00 N ATOM 0 H GLN A 49 24.344 25.908 24.628 1.00 0.00 H new ATOM 0 HA GLN A 49 26.291 27.370 22.942 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.785 25.453 25.240 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.889 26.645 24.584 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.251 28.465 25.238 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.233 27.245 25.978 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.507 27.810 28.197 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.076 27.768 29.007 1.00 0.00 H new ATOM 794 N LEU A 50 26.856 25.443 21.449 1.00 0.00 N ATOM 795 CA LEU A 50 27.194 24.286 20.573 1.00 0.00 C ATOM 796 C LEU A 50 28.207 23.380 21.274 1.00 0.00 C ATOM 797 O LEU A 50 29.273 23.810 21.668 1.00 0.00 O ATOM 798 CB LEU A 50 27.771 24.804 19.250 1.00 0.00 C ATOM 799 CG LEU A 50 26.774 25.770 18.584 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.356 26.269 17.252 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.434 25.056 18.324 1.00 0.00 C ATOM 0 H LEU A 50 27.004 26.362 21.033 1.00 0.00 H new ATOM 0 HA LEU A 50 26.293 23.707 20.369 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.718 25.313 19.431 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.981 23.968 18.583 1.00 0.00 H new ATOM 0 HG LEU A 50 26.601 26.616 19.250 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.650 26.953 16.780 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.296 26.788 17.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.535 25.420 16.592 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.738 25.750 17.853 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.598 24.203 17.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.017 24.709 19.270 1.00 0.00 H new ATOM 813 N GLU A 51 27.871 22.120 21.430 1.00 0.00 N ATOM 814 CA GLU A 51 28.786 21.151 22.106 1.00 0.00 C ATOM 815 C GLU A 51 29.304 20.139 21.077 1.00 0.00 C ATOM 816 O GLU A 51 28.591 19.703 20.195 1.00 0.00 O ATOM 817 CB GLU A 51 28.016 20.422 23.211 1.00 0.00 C ATOM 818 CG GLU A 51 28.873 19.286 23.771 1.00 0.00 C ATOM 819 CD GLU A 51 28.255 18.763 25.067 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.550 19.520 25.714 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.495 17.611 25.392 1.00 0.00 O ATOM 0 H GLU A 51 26.989 21.719 21.112 1.00 0.00 H new ATOM 0 HA GLU A 51 29.632 21.682 22.543 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.754 21.120 24.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.081 20.025 22.815 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.947 18.480 23.041 1.00 0.00 H new ATOM 0 HG3 GLU A 51 29.887 19.641 23.958 1.00 0.00 H new ATOM 828 N ASP A 52 30.551 19.784 21.186 1.00 0.00 N ATOM 829 CA ASP A 52 31.161 18.817 20.224 1.00 0.00 C ATOM 830 C ASP A 52 30.500 17.436 20.340 1.00 0.00 C ATOM 831 O ASP A 52 29.986 17.068 21.376 1.00 0.00 O ATOM 832 CB ASP A 52 32.649 18.673 20.545 1.00 0.00 C ATOM 833 CG ASP A 52 32.817 18.295 22.020 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.152 18.899 22.845 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.606 17.407 22.297 1.00 0.00 O ATOM 0 H ASP A 52 31.185 20.125 21.909 1.00 0.00 H new ATOM 0 HA ASP A 52 31.015 19.194 19.212 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.097 17.910 19.909 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.170 19.608 20.336 1.00 0.00 H new ATOM 840 N GLY A 53 30.551 16.652 19.284 1.00 0.00 N ATOM 841 CA GLY A 53 29.973 15.270 19.327 1.00 0.00 C ATOM 842 C GLY A 53 28.577 15.206 18.679 1.00 0.00 C ATOM 843 O GLY A 53 27.951 14.164 18.677 1.00 0.00 O ATOM 0 H GLY A 53 30.970 16.913 18.392 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.643 14.581 18.813 1.00 0.00 H new ATOM 0 HA3 GLY A 53 29.907 14.937 20.363 1.00 0.00 H new ATOM 847 N ARG A 54 28.071 16.296 18.142 1.00 0.00 N ATOM 848 CA ARG A 54 26.702 16.278 17.509 1.00 0.00 C ATOM 849 C ARG A 54 26.746 16.993 16.144 1.00 0.00 C ATOM 850 O ARG A 54 27.750 17.567 15.771 1.00 0.00 O ATOM 851 CB ARG A 54 25.713 16.988 18.446 1.00 0.00 C ATOM 852 CG ARG A 54 25.557 16.184 19.761 1.00 0.00 C ATOM 853 CD ARG A 54 25.118 17.084 20.941 1.00 0.00 C ATOM 854 NE ARG A 54 23.735 16.743 21.374 1.00 0.00 N ATOM 855 CZ ARG A 54 23.360 16.930 22.628 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.093 17.003 22.931 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.228 16.976 23.603 1.00 0.00 N ATOM 0 H ARG A 54 28.545 17.199 18.113 1.00 0.00 H new ATOM 0 HA ARG A 54 26.381 15.248 17.351 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.067 17.995 18.666 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.745 17.090 17.956 1.00 0.00 H new ATOM 0 HG2 ARG A 54 24.823 15.391 19.617 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.503 15.701 20.005 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.807 16.960 21.776 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.164 18.131 20.643 1.00 0.00 H new ATOM 0 HE ARG A 54 23.072 16.362 20.699 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.388 16.916 22.199 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.808 17.147 23.900 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.223 16.866 23.406 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.911 17.122 24.562 1.00 0.00 H new ATOM 871 N THR A 55 25.670 16.938 15.385 1.00 0.00 N ATOM 872 CA THR A 55 25.649 17.590 14.027 1.00 0.00 C ATOM 873 C THR A 55 24.824 18.884 14.051 1.00 0.00 C ATOM 874 O THR A 55 23.938 19.052 14.864 1.00 0.00 O ATOM 875 CB THR A 55 25.011 16.625 13.026 1.00 0.00 C ATOM 876 OG1 THR A 55 23.789 16.131 13.558 1.00 0.00 O ATOM 877 CG2 THR A 55 25.966 15.463 12.764 1.00 0.00 C ATOM 0 H THR A 55 24.803 16.469 15.648 1.00 0.00 H new ATOM 0 HA THR A 55 26.673 17.830 13.741 1.00 0.00 H new ATOM 0 HB THR A 55 24.811 17.147 12.090 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.379 15.514 12.917 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.514 14.774 12.051 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.901 15.846 12.355 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.166 14.939 13.698 1.00 0.00 H new ATOM 885 N LEU A 56 25.112 19.797 13.155 1.00 0.00 N ATOM 886 CA LEU A 56 24.347 21.084 13.115 1.00 0.00 C ATOM 887 C LEU A 56 22.846 20.790 12.981 1.00 0.00 C ATOM 888 O LEU A 56 22.017 21.502 13.512 1.00 0.00 O ATOM 889 CB LEU A 56 24.813 21.923 11.909 1.00 0.00 C ATOM 890 CG LEU A 56 26.144 22.637 12.232 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.887 22.956 10.932 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.876 23.957 12.970 1.00 0.00 C ATOM 0 H LEU A 56 25.843 19.707 12.450 1.00 0.00 H new ATOM 0 HA LEU A 56 24.527 21.638 14.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.940 21.280 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.051 22.659 11.654 1.00 0.00 H new ATOM 0 HG LEU A 56 26.743 21.978 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.826 23.460 11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.095 22.030 10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.270 23.605 10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 56 26.823 24.449 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.267 24.608 12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.347 23.752 13.901 1.00 0.00 H new ATOM 904 N SER A 57 22.489 19.752 12.277 1.00 0.00 N ATOM 905 CA SER A 57 21.042 19.423 12.117 1.00 0.00 C ATOM 906 C SER A 57 20.436 19.107 13.488 1.00 0.00 C ATOM 907 O SER A 57 19.234 19.098 13.660 1.00 0.00 O ATOM 908 CB SER A 57 20.889 18.207 11.202 1.00 0.00 C ATOM 909 OG SER A 57 19.507 17.968 10.970 1.00 0.00 O ATOM 0 H SER A 57 23.134 19.118 11.806 1.00 0.00 H new ATOM 0 HA SER A 57 20.525 20.275 11.676 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.404 18.381 10.257 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.350 17.332 11.660 1.00 0.00 H new ATOM 0 HG SER A 57 19.404 17.190 10.383 1.00 0.00 H new ATOM 915 N ASP A 58 21.263 18.841 14.460 1.00 0.00 N ATOM 916 CA ASP A 58 20.738 18.516 15.816 1.00 0.00 C ATOM 917 C ASP A 58 20.128 19.770 16.439 1.00 0.00 C ATOM 918 O ASP A 58 19.387 19.699 17.399 1.00 0.00 O ATOM 919 CB ASP A 58 21.879 18.008 16.699 1.00 0.00 C ATOM 920 CG ASP A 58 21.304 17.473 18.014 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.186 18.252 18.945 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.993 16.295 18.065 1.00 0.00 O ATOM 0 H ASP A 58 22.279 18.834 14.375 1.00 0.00 H new ATOM 0 HA ASP A 58 19.974 17.743 15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.430 17.222 16.184 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.585 18.814 16.899 1.00 0.00 H new ATOM 927 N TYR A 59 20.447 20.921 15.904 1.00 0.00 N ATOM 928 CA TYR A 59 19.906 22.200 16.461 1.00 0.00 C ATOM 929 C TYR A 59 18.812 22.762 15.543 1.00 0.00 C ATOM 930 O TYR A 59 18.389 23.889 15.706 1.00 0.00 O ATOM 931 CB TYR A 59 21.059 23.214 16.563 1.00 0.00 C ATOM 932 CG TYR A 59 21.794 23.040 17.874 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.126 22.603 17.887 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.144 23.338 19.077 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.802 22.464 19.106 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.820 23.194 20.292 1.00 0.00 C ATOM 937 CZ TYR A 59 23.148 22.758 20.307 1.00 0.00 C ATOM 938 OH TYR A 59 23.816 22.622 21.506 1.00 0.00 O ATOM 0 H TYR A 59 21.064 21.031 15.099 1.00 0.00 H new ATOM 0 HA TYR A 59 19.473 22.015 17.444 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.749 23.076 15.730 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.668 24.229 16.489 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.630 22.374 16.959 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.119 23.679 19.067 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.829 22.130 19.119 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.316 23.420 21.220 1.00 0.00 H new ATOM 0 HH TYR A 59 24.511 23.310 21.573 1.00 0.00 H new ATOM 948 N ASN A 60 18.347 22.008 14.581 1.00 0.00 N ATOM 949 CA ASN A 60 17.285 22.539 13.677 1.00 0.00 C ATOM 950 C ASN A 60 17.743 23.874 13.080 1.00 0.00 C ATOM 951 O ASN A 60 17.010 24.842 13.061 1.00 0.00 O ATOM 952 CB ASN A 60 15.990 22.746 14.469 1.00 0.00 C ATOM 953 CG ASN A 60 15.615 21.446 15.184 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.749 20.373 14.631 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.146 21.497 16.401 1.00 0.00 N ATOM 0 H ASN A 60 18.654 21.055 14.383 1.00 0.00 H new ATOM 0 HA ASN A 60 17.104 21.826 12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.120 23.548 15.195 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.186 23.050 13.799 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.893 20.636 16.886 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.033 22.397 16.867 1.00 0.00 H new ATOM 962 N ILE A 61 18.956 23.929 12.595 1.00 0.00 N ATOM 963 CA ILE A 61 19.482 25.195 11.997 1.00 0.00 C ATOM 964 C ILE A 61 19.105 25.250 10.509 1.00 0.00 C ATOM 965 O ILE A 61 18.428 24.376 10.004 1.00 0.00 O ATOM 966 CB ILE A 61 21.010 25.217 12.174 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.330 25.148 13.673 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.608 26.505 11.581 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.812 24.827 13.866 1.00 0.00 C ATOM 0 H ILE A 61 19.610 23.146 12.587 1.00 0.00 H new ATOM 0 HA ILE A 61 19.050 26.064 12.492 1.00 0.00 H new ATOM 0 HB ILE A 61 21.444 24.365 11.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.088 26.097 14.151 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.717 24.384 14.151 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.689 26.500 11.717 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.376 26.558 10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.182 27.371 12.088 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.038 24.778 14.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.040 23.867 13.402 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.417 25.606 13.402 1.00 0.00 H new ATOM 981 N GLN A 62 19.538 26.261 9.801 1.00 0.00 N ATOM 982 CA GLN A 62 19.200 26.354 8.350 1.00 0.00 C ATOM 983 C GLN A 62 20.213 27.249 7.624 1.00 0.00 C ATOM 984 O GLN A 62 20.895 28.067 8.220 1.00 0.00 O ATOM 985 CB GLN A 62 17.790 26.925 8.186 1.00 0.00 C ATOM 986 CG GLN A 62 17.648 28.199 9.020 1.00 0.00 C ATOM 987 CD GLN A 62 16.222 28.735 8.884 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.505 28.843 9.858 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.777 29.076 7.705 1.00 0.00 N ATOM 0 H GLN A 62 20.109 27.024 10.164 1.00 0.00 H new ATOM 0 HA GLN A 62 19.239 25.356 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.596 27.143 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.050 26.189 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.872 27.990 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.364 28.949 8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.379 28.985 6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.827 29.433 7.602 1.00 0.00 H new ATOM 998 N LYS A 63 20.324 27.086 6.333 1.00 0.00 N ATOM 999 CA LYS A 63 21.296 27.902 5.556 1.00 0.00 C ATOM 1000 C LYS A 63 21.058 29.394 5.802 1.00 0.00 C ATOM 1001 O LYS A 63 19.955 29.830 6.070 1.00 0.00 O ATOM 1002 CB LYS A 63 21.153 27.590 4.062 1.00 0.00 C ATOM 1003 CG LYS A 63 19.697 27.763 3.620 1.00 0.00 C ATOM 1004 CD LYS A 63 19.579 27.404 2.135 1.00 0.00 C ATOM 1005 CE LYS A 63 18.165 27.710 1.636 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.190 26.809 2.313 1.00 0.00 N ATOM 0 H LYS A 63 19.781 26.420 5.783 1.00 0.00 H new ATOM 0 HA LYS A 63 22.306 27.653 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.797 28.251 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.482 26.570 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.045 27.123 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.373 28.791 3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.309 27.970 1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.805 26.348 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.914 28.751 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.112 27.574 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.273 26.859 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.544 25.831 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.071 27.107 3.302 1.00 0.00 H new ATOM 1020 N GLU A 64 22.099 30.175 5.700 1.00 0.00 N ATOM 1021 CA GLU A 64 21.983 31.647 5.911 1.00 0.00 C ATOM 1022 C GLU A 64 21.676 31.959 7.381 1.00 0.00 C ATOM 1023 O GLU A 64 21.297 33.064 7.717 1.00 0.00 O ATOM 1024 CB GLU A 64 20.873 32.218 5.011 1.00 0.00 C ATOM 1025 CG GLU A 64 21.144 33.705 4.734 1.00 0.00 C ATOM 1026 CD GLU A 64 19.950 34.322 4.004 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.920 34.246 2.787 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.087 34.867 4.675 1.00 0.00 O ATOM 0 H GLU A 64 23.040 29.850 5.476 1.00 0.00 H new ATOM 0 HA GLU A 64 22.934 32.112 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.832 31.665 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.903 32.099 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.321 34.233 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.046 33.814 4.132 1.00 0.00 H new ATOM 1066 N LEU A 67 25.292 32.656 13.557 1.00 0.00 N ATOM 1067 CA LEU A 67 25.662 32.175 14.921 1.00 0.00 C ATOM 1068 C LEU A 67 26.345 33.318 15.676 1.00 0.00 C ATOM 1069 O LEU A 67 27.046 34.123 15.094 1.00 0.00 O ATOM 1070 CB LEU A 67 26.640 30.994 14.795 1.00 0.00 C ATOM 1071 CG LEU A 67 25.869 29.694 14.553 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.930 29.867 13.359 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.862 28.566 14.262 1.00 0.00 C ATOM 0 HA LEU A 67 24.770 31.853 15.458 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.334 31.173 13.973 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.237 30.908 15.703 1.00 0.00 H new ATOM 0 HG LEU A 67 25.283 29.448 15.439 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.383 28.940 13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.225 30.672 13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.512 30.112 12.471 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.318 27.638 14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.446 28.815 13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.531 28.441 15.114 1.00 0.00 H new ATOM 1085 N HIS A 68 26.156 33.392 16.968 1.00 0.00 N ATOM 1086 CA HIS A 68 26.808 34.475 17.762 1.00 0.00 C ATOM 1087 C HIS A 68 28.133 33.951 18.304 1.00 0.00 C ATOM 1088 O HIS A 68 28.202 32.850 18.816 1.00 0.00 O ATOM 1089 CB HIS A 68 25.915 34.867 18.939 1.00 0.00 C ATOM 1090 CG HIS A 68 24.480 34.904 18.491 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.791 36.097 18.317 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.591 33.907 18.172 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.544 35.789 17.910 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.374 34.470 17.807 1.00 0.00 N ATOM 0 H HIS A 68 25.578 32.748 17.508 1.00 0.00 H new ATOM 0 HA HIS A 68 26.971 35.345 17.126 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.034 34.152 19.753 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.212 35.842 19.325 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.805 32.849 18.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.778 36.519 17.694 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.528 33.978 17.520 1.00 0.00 H new ATOM 1103 N LEU A 69 29.183 34.723 18.201 1.00 0.00 N ATOM 1104 CA LEU A 69 30.509 34.262 18.715 1.00 0.00 C ATOM 1105 C LEU A 69 30.878 35.043 19.972 1.00 0.00 C ATOM 1106 O LEU A 69 30.983 36.252 19.955 1.00 0.00 O ATOM 1107 CB LEU A 69 31.580 34.480 17.635 1.00 0.00 C ATOM 1108 CG LEU A 69 32.972 34.001 18.142 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.735 33.304 17.009 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.809 35.195 18.631 1.00 0.00 C ATOM 0 H LEU A 69 29.181 35.653 17.783 1.00 0.00 H new ATOM 0 HA LEU A 69 30.452 33.201 18.960 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.309 33.935 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.627 35.536 17.369 1.00 0.00 H new ATOM 0 HG LEU A 69 32.809 33.306 18.966 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.707 32.973 17.375 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.165 32.442 16.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.876 34.001 16.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.778 34.841 18.982 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.955 35.898 17.811 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.288 35.694 19.448 1.00 0.00 H new ATOM 1122 N VAL A 70 31.086 34.347 21.060 1.00 0.00 N ATOM 1123 CA VAL A 70 31.464 35.016 22.345 1.00 0.00 C ATOM 1124 C VAL A 70 32.808 34.455 22.798 1.00 0.00 C ATOM 1125 O VAL A 70 33.157 33.335 22.483 1.00 0.00 O ATOM 1126 CB VAL A 70 30.398 34.728 23.402 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.744 35.462 24.700 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.042 35.216 22.892 1.00 0.00 C ATOM 0 H VAL A 70 31.009 33.331 21.115 1.00 0.00 H new ATOM 0 HA VAL A 70 31.538 36.094 22.205 1.00 0.00 H new ATOM 0 HB VAL A 70 30.358 33.656 23.594 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.981 35.254 25.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.713 35.121 25.064 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.784 36.535 24.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.277 35.013 23.642 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.089 36.288 22.702 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.792 34.695 21.968 1.00 0.00 H new ATOM 1138 N LEU A 71 33.578 35.219 23.521 1.00 0.00 N ATOM 1139 CA LEU A 71 34.907 34.717 23.976 1.00 0.00 C ATOM 1140 C LEU A 71 34.768 34.095 25.358 1.00 0.00 C ATOM 1141 O LEU A 71 33.960 34.511 26.163 1.00 0.00 O ATOM 1142 CB LEU A 71 35.919 35.873 24.034 1.00 0.00 C ATOM 1143 CG LEU A 71 35.916 36.663 22.713 1.00 0.00 C ATOM 1144 CD1 LEU A 71 36.059 35.689 21.540 1.00 0.00 C ATOM 1145 CD2 LEU A 71 34.612 37.485 22.562 1.00 0.00 C ATOM 0 H LEU A 71 33.347 36.167 23.817 1.00 0.00 H new ATOM 0 HA LEU A 71 35.264 33.968 23.270 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.673 36.538 24.862 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.917 35.480 24.227 1.00 0.00 H new ATOM 0 HG LEU A 71 36.755 37.358 22.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.057 36.245 20.603 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.996 35.141 21.635 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.225 34.987 21.547 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.635 38.034 21.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.755 36.812 22.569 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.527 38.189 23.390 1.00 0.00 H new