USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 41 SER OG : rot -130:sc= -0.865! USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.174 USER MOD Set 2.1: A 34 ASN : amide:sc= -5.12! C(o=-4.7!,f=-6.7!) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.408 K(o=-4.7,f=-7.5!) USER MOD Set 3.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 THR OG1 : rot -127:sc= -0.305! USER MOD Set 4.2: A 15 HIS : no HD1:sc= -20.9! C(o=-21!,f=-43!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -20.9! C(o=-21!,f=-14!) USER MOD Single : A 20 THR OG1 : rot 99:sc= -0.397! USER MOD Single : A 27 SER OG : rot -61:sc= -3.07! USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= 0.979 (180deg=-1.57) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -137:sc= -5.77! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -4.6! (180deg=-4.95!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 176:sc= -3.43! (180deg=-3.65!) USER MOD Single : A 51 MET CE :methyl 162:sc= -3.93! (180deg=-4.54!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.041 USER MOD Single : A 62 THR OG1 : rot 140:sc= -8.32! USER MOD Single : A 74 MET CE :methyl -136:sc= -2.7! (180deg=-5.48!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -4.06! K(o=-4.1!,f=-1.6) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.108 -9.642 -8.872 1.00 1.00 N ATOM 19 CA GLU A 2 -2.143 -8.438 -9.685 1.00 1.00 C ATOM 20 C GLU A 2 -1.741 -7.221 -8.849 1.00 1.00 C ATOM 21 O GLU A 2 -1.393 -7.357 -7.677 1.00 1.00 O ATOM 22 CB GLU A 2 -3.524 -8.240 -10.312 1.00 1.00 C ATOM 23 CG GLU A 2 -4.064 -9.556 -10.875 1.00 1.00 C ATOM 24 CD GLU A 2 -5.474 -9.373 -11.441 1.00 1.00 C ATOM 25 OE1 GLU A 2 -5.567 -8.872 -12.583 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.427 -9.738 -10.719 1.00 1.00 O ATOM 0 HA GLU A 2 -1.424 -8.550 -10.497 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.214 -7.850 -9.564 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -3.463 -7.498 -11.108 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.399 -9.921 -11.657 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.079 -10.313 -10.090 1.00 1.00 H new ATOM 33 N LYS A 3 -1.801 -6.060 -9.485 1.00 1.00 N ATOM 34 CA LYS A 3 -1.448 -4.821 -8.814 1.00 1.00 C ATOM 35 C LYS A 3 -2.626 -3.848 -8.896 1.00 1.00 C ATOM 36 O LYS A 3 -3.353 -3.830 -9.887 1.00 1.00 O ATOM 37 CB LYS A 3 -0.145 -4.257 -9.384 1.00 1.00 C ATOM 38 CG LYS A 3 -0.404 -2.980 -10.186 1.00 1.00 C ATOM 39 CD LYS A 3 0.745 -2.698 -11.156 1.00 1.00 C ATOM 40 CE LYS A 3 0.839 -3.789 -12.225 1.00 1.00 C ATOM 41 NZ LYS A 3 1.477 -3.259 -13.451 1.00 1.00 N ATOM 0 H LYS A 3 -2.089 -5.952 -10.458 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.256 -5.002 -7.756 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.550 -4.045 -8.571 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.329 -5.002 -10.023 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.337 -3.078 -10.741 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.525 -2.137 -9.505 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.594 -1.729 -11.632 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.684 -2.640 -10.606 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.415 -4.632 -11.843 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.157 -4.164 -12.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 1.533 -4.012 -14.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.912 -2.469 -13.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.435 -2.923 -13.226 1.00 1.00 H new ATOM 55 N LYS A 4 -2.779 -3.063 -7.839 1.00 1.00 N ATOM 56 CA LYS A 4 -3.856 -2.091 -7.778 1.00 1.00 C ATOM 57 C LYS A 4 -3.270 -0.703 -7.508 1.00 1.00 C ATOM 58 O LYS A 4 -2.769 -0.439 -6.416 1.00 1.00 O ATOM 59 CB LYS A 4 -4.911 -2.522 -6.757 1.00 1.00 C ATOM 60 CG LYS A 4 -6.243 -1.814 -7.012 1.00 1.00 C ATOM 61 CD LYS A 4 -6.918 -2.354 -8.275 1.00 1.00 C ATOM 62 CE LYS A 4 -8.220 -1.605 -8.563 1.00 1.00 C ATOM 63 NZ LYS A 4 -9.035 -2.345 -9.553 1.00 1.00 N ATOM 0 H LYS A 4 -2.174 -3.081 -7.018 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.375 -2.038 -8.735 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.053 -3.601 -6.809 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.561 -2.295 -5.750 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.902 -1.953 -6.155 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.075 -0.742 -7.115 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.242 -2.255 -9.124 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.125 -3.417 -8.155 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.785 -1.478 -7.640 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.997 -0.607 -8.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.915 -1.823 -9.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.499 -2.444 -10.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.264 -3.288 -9.179 1.00 1.00 H new ATOM 77 N GLU A 5 -3.353 0.147 -8.521 1.00 1.00 N ATOM 78 CA GLU A 5 -2.838 1.500 -8.407 1.00 1.00 C ATOM 79 C GLU A 5 -3.880 2.412 -7.756 1.00 1.00 C ATOM 80 O GLU A 5 -5.076 2.267 -8.002 1.00 1.00 O ATOM 81 CB GLU A 5 -2.411 2.042 -9.773 1.00 1.00 C ATOM 82 CG GLU A 5 -1.507 1.044 -10.500 1.00 1.00 C ATOM 83 CD GLU A 5 -2.268 0.328 -11.617 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.308 -0.286 -11.292 1.00 1.00 O ATOM 85 OE2 GLU A 5 -1.794 0.409 -12.770 1.00 1.00 O ATOM 0 H GLU A 5 -3.770 -0.076 -9.425 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.954 1.478 -7.770 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.293 2.247 -10.379 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.885 2.988 -9.645 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.646 1.565 -10.918 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.122 0.312 -9.790 1.00 1.00 H new ATOM 92 N PHE A 6 -3.388 3.331 -6.939 1.00 1.00 N ATOM 93 CA PHE A 6 -4.261 4.266 -6.251 1.00 1.00 C ATOM 94 C PHE A 6 -3.581 5.626 -6.076 1.00 1.00 C ATOM 95 O PHE A 6 -2.427 5.801 -6.466 1.00 1.00 O ATOM 96 CB PHE A 6 -4.553 3.674 -4.871 1.00 1.00 C ATOM 97 CG PHE A 6 -5.266 2.321 -4.913 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.256 2.101 -5.819 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.908 1.337 -4.044 1.00 1.00 C ATOM 100 CE1 PHE A 6 -6.917 0.845 -5.858 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.569 0.081 -4.083 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.560 -0.139 -4.989 1.00 1.00 C ATOM 0 H PHE A 6 -2.395 3.448 -6.738 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.172 4.418 -6.830 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.614 3.562 -4.329 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.165 4.378 -4.307 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -6.540 2.882 -6.509 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.121 1.511 -3.325 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -7.703 0.671 -6.578 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.285 -0.700 -3.393 1.00 1.00 H new ATOM 0 HZ PHE A 6 -7.063 -1.094 -5.018 1.00 1.00 H new ATOM 112 N HIS A 7 -4.324 6.553 -5.490 1.00 1.00 N ATOM 113 CA HIS A 7 -3.807 7.891 -5.259 1.00 1.00 C ATOM 114 C HIS A 7 -4.262 8.386 -3.885 1.00 1.00 C ATOM 115 O HIS A 7 -5.425 8.228 -3.518 1.00 1.00 O ATOM 116 CB HIS A 7 -4.213 8.834 -6.394 1.00 1.00 C ATOM 117 CG HIS A 7 -4.538 10.236 -5.939 1.00 1.00 C ATOM 118 ND1 HIS A 7 -3.952 11.360 -6.497 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.394 10.686 -4.977 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.440 12.431 -5.889 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.334 12.011 -4.947 1.00 1.00 N ATOM 0 H HIS A 7 -5.280 6.404 -5.168 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.717 7.869 -5.256 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.404 8.878 -7.123 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.081 8.418 -6.905 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.016 10.068 -4.346 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.177 13.457 -6.101 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.868 12.616 -4.323 1.00 1.00 H new ATOM 129 N ILE A 8 -3.320 8.976 -3.163 1.00 1.00 N ATOM 130 CA ILE A 8 -3.609 9.496 -1.837 1.00 1.00 C ATOM 131 C ILE A 8 -4.650 10.612 -1.948 1.00 1.00 C ATOM 132 O ILE A 8 -4.463 11.568 -2.699 1.00 1.00 O ATOM 133 CB ILE A 8 -2.319 9.925 -1.137 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.301 8.783 -1.114 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.609 10.463 0.266 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.003 7.425 -1.037 1.00 1.00 C ATOM 0 H ILE A 8 -2.356 9.105 -3.471 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.041 8.718 -1.208 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.875 10.740 -1.709 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.681 8.826 -2.009 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.635 8.901 -0.259 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.675 10.761 0.742 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.271 11.326 0.195 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.088 9.686 0.862 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.257 6.630 -1.022 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.603 7.377 -0.128 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.649 7.300 -1.906 1.00 1.00 H new ATOM 148 N VAL A 9 -5.724 10.454 -1.188 1.00 1.00 N ATOM 149 CA VAL A 9 -6.794 11.436 -1.191 1.00 1.00 C ATOM 150 C VAL A 9 -7.012 11.951 0.234 1.00 1.00 C ATOM 151 O VAL A 9 -7.932 12.729 0.483 1.00 1.00 O ATOM 152 CB VAL A 9 -8.057 10.832 -1.807 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.895 10.646 -3.317 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.421 9.511 -1.128 1.00 1.00 C ATOM 0 H VAL A 9 -5.876 9.660 -0.566 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.524 12.292 -1.809 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.877 11.530 -1.641 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.807 10.215 -3.730 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.706 11.612 -3.784 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.057 9.978 -3.513 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.323 9.103 -1.585 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.601 8.803 -1.247 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.599 9.684 -0.067 1.00 1.00 H new ATOM 164 N ALA A 10 -6.149 11.497 1.131 1.00 1.00 N ATOM 165 CA ALA A 10 -6.236 11.903 2.524 1.00 1.00 C ATOM 166 C ALA A 10 -5.416 13.178 2.731 1.00 1.00 C ATOM 167 O ALA A 10 -5.563 13.856 3.747 1.00 1.00 O ATOM 168 CB ALA A 10 -5.766 10.755 3.420 1.00 1.00 C ATOM 0 H ALA A 10 -5.387 10.853 0.921 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.268 12.127 2.795 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.831 11.059 4.465 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.399 9.883 3.256 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.733 10.505 3.179 1.00 1.00 H new ATOM 174 N GLU A 11 -4.570 13.465 1.753 1.00 1.00 N ATOM 175 CA GLU A 11 -3.727 14.647 1.815 1.00 1.00 C ATOM 176 C GLU A 11 -3.105 14.782 3.207 1.00 1.00 C ATOM 177 O GLU A 11 -2.625 15.853 3.574 1.00 1.00 O ATOM 178 CB GLU A 11 -4.516 15.904 1.443 1.00 1.00 C ATOM 179 CG GLU A 11 -5.535 16.254 2.529 1.00 1.00 C ATOM 180 CD GLU A 11 -6.146 17.635 2.284 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.352 18.577 2.072 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.393 17.717 2.313 1.00 1.00 O ATOM 0 H GLU A 11 -4.450 12.899 0.913 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.923 14.535 1.088 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.830 16.739 1.300 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.030 15.748 0.494 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.324 15.502 2.548 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.052 16.234 3.506 1.00 1.00 H new ATOM 189 N THR A 12 -3.134 13.681 3.942 1.00 1.00 N ATOM 190 CA THR A 12 -2.579 13.663 5.285 1.00 1.00 C ATOM 191 C THR A 12 -1.052 13.744 5.232 1.00 1.00 C ATOM 192 O THR A 12 -0.454 14.644 5.820 1.00 1.00 O ATOM 193 CB THR A 12 -3.097 12.410 5.994 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.810 12.646 7.370 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.279 11.163 5.651 1.00 1.00 C ATOM 0 H THR A 12 -3.533 12.794 3.633 1.00 1.00 H new ATOM 0 HA THR A 12 -2.900 14.534 5.857 1.00 1.00 H new ATOM 0 HB THR A 12 -4.140 12.245 5.724 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.314 11.884 7.736 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.688 10.302 6.180 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.323 10.983 4.577 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.242 11.314 5.951 1.00 1.00 H new ATOM 203 N GLY A 13 -0.465 12.792 4.522 1.00 1.00 N ATOM 204 CA GLY A 13 0.980 12.744 4.385 1.00 1.00 C ATOM 205 C GLY A 13 1.509 11.330 4.636 1.00 1.00 C ATOM 206 O GLY A 13 2.695 11.145 4.903 1.00 1.00 O ATOM 0 H GLY A 13 -0.964 12.048 4.035 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.265 13.070 3.385 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.439 13.438 5.089 1.00 1.00 H new ATOM 210 N ILE A 14 0.602 10.368 4.542 1.00 1.00 N ATOM 211 CA ILE A 14 0.962 8.977 4.756 1.00 1.00 C ATOM 212 C ILE A 14 2.001 8.890 5.876 1.00 1.00 C ATOM 213 O ILE A 14 3.143 8.500 5.639 1.00 1.00 O ATOM 214 CB ILE A 14 1.416 8.333 3.444 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.226 8.075 2.519 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.223 7.061 3.709 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.880 9.108 2.746 1.00 1.00 C ATOM 0 H ILE A 14 -0.381 10.525 4.321 1.00 1.00 H new ATOM 0 HA ILE A 14 0.093 8.404 5.081 1.00 1.00 H new ATOM 0 HB ILE A 14 2.076 9.032 2.931 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.554 8.111 1.480 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.166 7.073 2.695 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.534 6.623 2.760 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.105 7.306 4.301 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.607 6.346 4.254 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.714 8.901 2.075 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.223 9.053 3.779 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.492 10.107 2.545 1.00 1.00 H new ATOM 229 N HIS A 15 1.567 9.259 7.072 1.00 1.00 N ATOM 230 CA HIS A 15 2.445 9.227 8.229 1.00 1.00 C ATOM 231 C HIS A 15 2.248 7.913 8.987 1.00 1.00 C ATOM 232 O HIS A 15 1.428 7.084 8.596 1.00 1.00 O ATOM 233 CB HIS A 15 2.227 10.458 9.111 1.00 1.00 C ATOM 234 CG HIS A 15 0.788 10.909 9.191 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.085 10.461 10.167 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.079 11.771 8.407 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.263 11.034 9.970 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.160 11.845 8.878 1.00 1.00 N ATOM 0 H HIS A 15 0.619 9.582 7.265 1.00 1.00 H new ATOM 0 HA HIS A 15 3.484 9.265 7.902 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.585 10.239 10.117 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.834 11.279 8.728 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.461 12.303 7.548 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.149 10.885 10.569 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.911 12.414 8.488 1.00 1.00 H new ATOM 246 N ALA A 16 3.015 7.763 10.057 1.00 1.00 N ATOM 247 CA ALA A 16 2.936 6.563 10.873 1.00 1.00 C ATOM 248 C ALA A 16 1.469 6.159 11.036 1.00 1.00 C ATOM 249 O ALA A 16 1.153 4.973 11.111 1.00 1.00 O ATOM 250 CB ALA A 16 3.624 6.813 12.216 1.00 1.00 C ATOM 0 H ALA A 16 3.694 8.453 10.378 1.00 1.00 H new ATOM 0 HA ALA A 16 3.455 5.735 10.390 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.565 5.913 12.828 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.670 7.069 12.047 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.128 7.636 12.731 1.00 1.00 H new ATOM 256 N ARG A 17 0.612 7.168 11.085 1.00 1.00 N ATOM 257 CA ARG A 17 -0.814 6.933 11.237 1.00 1.00 C ATOM 258 C ARG A 17 -1.387 6.304 9.965 1.00 1.00 C ATOM 259 O ARG A 17 -1.755 5.131 9.960 1.00 1.00 O ATOM 260 CB ARG A 17 -1.559 8.236 11.535 1.00 1.00 C ATOM 261 CG ARG A 17 -0.712 9.165 12.407 1.00 1.00 C ATOM 262 CD ARG A 17 -0.566 8.605 13.823 1.00 1.00 C ATOM 263 NE ARG A 17 -1.527 9.271 14.732 1.00 1.00 N ATOM 264 CZ ARG A 17 -1.617 9.019 16.045 1.00 1.00 C ATOM 265 NH1 ARG A 17 -0.805 8.116 16.611 1.00 1.00 N ATOM 266 NH2 ARG A 17 -2.519 9.671 16.791 1.00 1.00 N ATOM 0 H ARG A 17 0.878 8.151 11.022 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.950 6.251 12.076 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.810 8.737 10.600 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.499 8.014 12.040 1.00 1.00 H new ATOM 0 HG2 ARG A 17 0.273 9.292 11.959 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -1.173 10.152 12.448 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.743 7.529 13.818 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.452 8.759 14.181 1.00 1.00 H new ATOM 0 HE ARG A 17 -2.160 9.965 14.334 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -0.118 7.620 16.042 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -0.873 7.924 17.610 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -3.137 10.359 16.359 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -2.588 9.480 17.791 1.00 1.00 H new ATOM 280 N PRO A 18 -1.446 7.135 8.890 1.00 1.00 N ATOM 281 CA PRO A 18 -1.968 6.674 7.615 1.00 1.00 C ATOM 282 C PRO A 18 -0.959 5.770 6.905 1.00 1.00 C ATOM 283 O PRO A 18 -1.342 4.901 6.122 1.00 1.00 O ATOM 284 CB PRO A 18 -2.283 7.940 6.837 1.00 1.00 C ATOM 285 CG PRO A 18 -1.497 9.052 7.514 1.00 1.00 C ATOM 286 CD PRO A 18 -1.020 8.531 8.860 1.00 1.00 C ATOM 0 HA PRO A 18 -2.861 6.058 7.724 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -1.993 7.838 5.791 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.352 8.152 6.852 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.649 9.350 6.898 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.122 9.936 7.646 1.00 1.00 H new ATOM 0 HD2 PRO A 18 0.062 8.617 8.957 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.459 9.097 9.682 1.00 1.00 H new ATOM 294 N ALA A 19 0.310 6.005 7.203 1.00 1.00 N ATOM 295 CA ALA A 19 1.377 5.223 6.602 1.00 1.00 C ATOM 296 C ALA A 19 1.207 3.753 6.990 1.00 1.00 C ATOM 297 O ALA A 19 1.243 2.872 6.132 1.00 1.00 O ATOM 298 CB ALA A 19 2.731 5.788 7.037 1.00 1.00 C ATOM 0 H ALA A 19 0.624 6.726 7.853 1.00 1.00 H new ATOM 0 HA ALA A 19 1.332 5.284 5.515 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.532 5.202 6.586 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.814 6.825 6.712 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.813 5.740 8.123 1.00 1.00 H new ATOM 304 N THR A 20 1.025 3.533 8.284 1.00 1.00 N ATOM 305 CA THR A 20 0.849 2.184 8.796 1.00 1.00 C ATOM 306 C THR A 20 -0.522 1.637 8.396 1.00 1.00 C ATOM 307 O THR A 20 -0.648 0.465 8.044 1.00 1.00 O ATOM 308 CB THR A 20 1.070 2.221 10.309 1.00 1.00 C ATOM 309 OG1 THR A 20 1.980 3.301 10.501 1.00 1.00 O ATOM 310 CG2 THR A 20 1.832 0.996 10.819 1.00 1.00 C ATOM 0 H THR A 20 0.996 4.266 8.993 1.00 1.00 H new ATOM 0 HA THR A 20 1.577 1.498 8.363 1.00 1.00 H new ATOM 0 HB THR A 20 0.107 2.286 10.815 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.485 4.102 10.771 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.962 1.072 11.899 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.268 0.093 10.584 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.809 0.949 10.338 1.00 1.00 H new ATOM 318 N LEU A 21 -1.516 2.511 8.462 1.00 1.00 N ATOM 319 CA LEU A 21 -2.873 2.130 8.111 1.00 1.00 C ATOM 320 C LEU A 21 -2.840 1.215 6.885 1.00 1.00 C ATOM 321 O LEU A 21 -3.321 0.084 6.937 1.00 1.00 O ATOM 322 CB LEU A 21 -3.748 3.371 7.929 1.00 1.00 C ATOM 323 CG LEU A 21 -5.250 3.171 8.145 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.031 4.431 7.767 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.753 1.937 7.393 1.00 1.00 C ATOM 0 H LEU A 21 -1.408 3.482 8.754 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.331 1.562 8.921 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.401 4.140 8.619 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.594 3.755 6.921 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.421 2.993 9.207 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.095 4.262 7.930 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.697 5.265 8.385 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.857 4.665 6.717 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.823 1.818 7.564 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.567 2.060 6.326 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.228 1.052 7.753 1.00 1.00 H new ATOM 337 N LEU A 22 -2.268 1.739 5.811 1.00 1.00 N ATOM 338 CA LEU A 22 -2.166 0.983 4.574 1.00 1.00 C ATOM 339 C LEU A 22 -1.201 -0.187 4.774 1.00 1.00 C ATOM 340 O LEU A 22 -1.605 -1.347 4.714 1.00 1.00 O ATOM 341 CB LEU A 22 -1.784 1.905 3.413 1.00 1.00 C ATOM 342 CG LEU A 22 -0.718 2.959 3.718 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.504 2.780 2.814 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.300 4.371 3.621 1.00 1.00 C ATOM 0 H LEU A 22 -1.870 2.678 5.772 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.133 0.556 4.307 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.431 1.289 2.586 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.684 2.415 3.069 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.382 2.818 4.745 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.247 3.542 3.051 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.934 1.791 2.975 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.203 2.879 1.771 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.522 5.101 3.842 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.680 4.540 2.613 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -2.114 4.479 4.338 1.00 1.00 H new ATOM 356 N VAL A 23 0.057 0.158 5.007 1.00 1.00 N ATOM 357 CA VAL A 23 1.083 -0.849 5.216 1.00 1.00 C ATOM 358 C VAL A 23 0.559 -1.910 6.187 1.00 1.00 C ATOM 359 O VAL A 23 0.592 -3.102 5.885 1.00 1.00 O ATOM 360 CB VAL A 23 2.376 -0.187 5.696 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.122 0.686 6.927 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.456 -1.234 5.978 1.00 1.00 C ATOM 0 H VAL A 23 0.389 1.121 5.056 1.00 1.00 H new ATOM 0 HA VAL A 23 1.320 -1.353 4.279 1.00 1.00 H new ATOM 0 HB VAL A 23 2.738 0.460 4.897 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.058 1.144 7.247 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.402 1.466 6.678 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.725 0.070 7.734 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.365 -0.737 6.318 1.00 1.00 H new ATOM 0 HG22 VAL A 23 3.106 -1.918 6.751 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.667 -1.793 5.067 1.00 1.00 H new ATOM 372 N GLN A 24 0.088 -1.438 7.332 1.00 1.00 N ATOM 373 CA GLN A 24 -0.441 -2.332 8.348 1.00 1.00 C ATOM 374 C GLN A 24 -1.450 -3.301 7.729 1.00 1.00 C ATOM 375 O GLN A 24 -1.498 -4.473 8.099 1.00 1.00 O ATOM 376 CB GLN A 24 -1.073 -1.542 9.496 1.00 1.00 C ATOM 377 CG GLN A 24 -2.453 -1.012 9.104 1.00 1.00 C ATOM 378 CD GLN A 24 -3.447 -1.161 10.258 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.451 -0.398 11.210 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.286 -2.184 10.120 1.00 1.00 N ATOM 0 H GLN A 24 0.062 -0.449 7.579 1.00 1.00 H new ATOM 0 HA GLN A 24 0.385 -2.912 8.760 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.161 -2.180 10.375 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.424 -0.710 9.769 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.376 0.037 8.819 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.820 -1.553 8.232 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.228 -2.784 9.297 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -4.988 -2.368 10.837 1.00 1.00 H new ATOM 389 N THR A 25 -2.231 -2.776 6.796 1.00 1.00 N ATOM 390 CA THR A 25 -3.236 -3.580 6.122 1.00 1.00 C ATOM 391 C THR A 25 -2.615 -4.332 4.943 1.00 1.00 C ATOM 392 O THR A 25 -3.104 -5.390 4.550 1.00 1.00 O ATOM 393 CB THR A 25 -4.387 -2.657 5.716 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.429 -2.976 6.635 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.972 -3.017 4.349 1.00 1.00 C ATOM 0 H THR A 25 -2.188 -1.804 6.491 1.00 1.00 H new ATOM 0 HA THR A 25 -3.635 -4.349 6.783 1.00 1.00 H new ATOM 0 HB THR A 25 -4.036 -1.625 5.700 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.214 -2.421 6.445 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.785 -2.332 4.109 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.195 -2.939 3.589 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.353 -4.038 4.374 1.00 1.00 H new ATOM 403 N ALA A 26 -1.547 -3.755 4.412 1.00 1.00 N ATOM 404 CA ALA A 26 -0.854 -4.357 3.285 1.00 1.00 C ATOM 405 C ALA A 26 0.184 -5.354 3.804 1.00 1.00 C ATOM 406 O ALA A 26 0.433 -6.380 3.174 1.00 1.00 O ATOM 407 CB ALA A 26 -0.228 -3.258 2.425 1.00 1.00 C ATOM 0 H ALA A 26 -1.145 -2.877 4.741 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.552 -4.907 2.654 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.292 -3.709 1.580 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.010 -2.594 2.057 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.481 -2.687 3.024 1.00 1.00 H new ATOM 413 N SER A 27 0.762 -5.016 4.948 1.00 1.00 N ATOM 414 CA SER A 27 1.767 -5.869 5.559 1.00 1.00 C ATOM 415 C SER A 27 1.105 -6.838 6.540 1.00 1.00 C ATOM 416 O SER A 27 1.609 -7.052 7.642 1.00 1.00 O ATOM 417 CB SER A 27 2.835 -5.037 6.273 1.00 1.00 C ATOM 418 OG SER A 27 4.106 -5.681 6.266 1.00 1.00 O ATOM 0 H SER A 27 0.553 -4.163 5.467 1.00 1.00 H new ATOM 0 HA SER A 27 2.257 -6.440 4.770 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.919 -4.063 5.790 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.526 -4.856 7.302 1.00 1.00 H new ATOM 0 HG SER A 27 4.039 -6.541 6.730 1.00 1.00 H new ATOM 424 N LYS A 28 -0.014 -7.398 6.106 1.00 1.00 N ATOM 425 CA LYS A 28 -0.750 -8.339 6.932 1.00 1.00 C ATOM 426 C LYS A 28 -1.442 -9.367 6.035 1.00 1.00 C ATOM 427 O LYS A 28 -2.407 -10.008 6.448 1.00 1.00 O ATOM 428 CB LYS A 28 -1.707 -7.597 7.868 1.00 1.00 C ATOM 429 CG LYS A 28 -2.577 -6.608 7.090 1.00 1.00 C ATOM 430 CD LYS A 28 -3.742 -7.324 6.403 1.00 1.00 C ATOM 431 CE LYS A 28 -4.771 -7.803 7.429 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.633 -9.258 7.661 1.00 1.00 N ATOM 0 H LYS A 28 -0.429 -7.218 5.192 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.068 -8.889 7.581 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.342 -8.314 8.388 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.137 -7.065 8.630 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -2.963 -5.846 7.768 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.971 -6.094 6.344 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.219 -6.650 5.691 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.367 -8.175 5.834 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.636 -7.265 8.367 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.777 -7.579 7.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.573 -9.703 7.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.039 -9.674 6.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -4.190 -9.421 8.588 1.00 1.00 H new ATOM 446 N PHE A 29 -0.922 -9.492 4.823 1.00 1.00 N ATOM 447 CA PHE A 29 -1.478 -10.431 3.863 1.00 1.00 C ATOM 448 C PHE A 29 -0.454 -11.506 3.492 1.00 1.00 C ATOM 449 O PHE A 29 0.737 -11.222 3.378 1.00 1.00 O ATOM 450 CB PHE A 29 -1.836 -9.631 2.610 1.00 1.00 C ATOM 451 CG PHE A 29 -2.849 -8.510 2.855 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.852 -8.686 3.756 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.745 -7.339 2.172 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.792 -7.646 3.984 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.685 -6.299 2.400 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.689 -6.475 3.301 1.00 1.00 C ATOM 0 H PHE A 29 -0.122 -8.959 4.483 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.349 -10.928 4.290 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.925 -9.199 2.195 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.237 -10.312 1.859 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -3.934 -9.616 4.298 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.948 -7.200 1.457 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.589 -7.785 4.700 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.603 -5.368 1.858 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.404 -5.684 3.474 1.00 1.00 H new ATOM 466 N ASN A 30 -0.956 -12.719 3.313 1.00 1.00 N ATOM 467 CA ASN A 30 -0.100 -13.839 2.958 1.00 1.00 C ATOM 468 C ASN A 30 0.348 -13.689 1.502 1.00 1.00 C ATOM 469 O ASN A 30 1.102 -14.517 0.994 1.00 1.00 O ATOM 470 CB ASN A 30 -0.848 -15.167 3.088 1.00 1.00 C ATOM 471 CG ASN A 30 -0.883 -15.635 4.544 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.069 -16.188 5.069 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.032 -15.384 5.165 1.00 1.00 N ATOM 0 H ASN A 30 -1.945 -12.951 3.407 1.00 1.00 H new ATOM 0 HA ASN A 30 0.754 -13.839 3.635 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.866 -15.054 2.714 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.364 -15.923 2.470 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.155 -15.658 6.140 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.790 -14.917 4.667 1.00 1.00 H new ATOM 480 N SER A 31 -0.135 -12.628 0.873 1.00 1.00 N ATOM 481 CA SER A 31 0.207 -12.360 -0.513 1.00 1.00 C ATOM 482 C SER A 31 1.302 -11.294 -0.586 1.00 1.00 C ATOM 483 O SER A 31 1.736 -10.775 0.442 1.00 1.00 O ATOM 484 CB SER A 31 -1.023 -11.912 -1.306 1.00 1.00 C ATOM 485 OG SER A 31 -1.510 -12.942 -2.163 1.00 1.00 O ATOM 0 H SER A 31 -0.761 -11.944 1.298 1.00 1.00 H new ATOM 0 HA SER A 31 0.578 -13.283 -0.958 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.811 -11.613 -0.615 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.771 -11.034 -1.901 1.00 1.00 H new ATOM 0 HG SER A 31 -1.741 -12.560 -3.035 1.00 1.00 H new ATOM 491 N ASP A 32 1.718 -11.001 -1.809 1.00 1.00 N ATOM 492 CA ASP A 32 2.754 -10.007 -2.028 1.00 1.00 C ATOM 493 C ASP A 32 2.103 -8.660 -2.352 1.00 1.00 C ATOM 494 O ASP A 32 1.877 -8.340 -3.517 1.00 1.00 O ATOM 495 CB ASP A 32 3.649 -10.394 -3.208 1.00 1.00 C ATOM 496 CG ASP A 32 4.838 -11.289 -2.851 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.285 -11.200 -1.687 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.272 -12.040 -3.750 1.00 1.00 O ATOM 0 H ASP A 32 1.356 -11.435 -2.658 1.00 1.00 H new ATOM 0 HA ASP A 32 3.357 -9.945 -1.122 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.040 -10.905 -3.954 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.026 -9.483 -3.673 1.00 1.00 H new ATOM 503 N ILE A 33 1.821 -7.908 -1.298 1.00 1.00 N ATOM 504 CA ILE A 33 1.200 -6.603 -1.455 1.00 1.00 C ATOM 505 C ILE A 33 2.210 -5.515 -1.084 1.00 1.00 C ATOM 506 O ILE A 33 2.810 -5.561 -0.012 1.00 1.00 O ATOM 507 CB ILE A 33 -0.104 -6.530 -0.658 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.959 -5.346 -1.112 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.175 -6.494 0.846 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.698 -4.116 -0.240 1.00 1.00 C ATOM 0 H ILE A 33 2.011 -8.177 -0.333 1.00 1.00 H new ATOM 0 HA ILE A 33 0.920 -6.437 -2.495 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.678 -7.435 -0.857 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.738 -5.112 -2.153 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.014 -5.614 -1.062 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.768 -6.442 1.390 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.713 -7.396 1.138 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.779 -5.618 1.083 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.318 -3.288 -0.584 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.943 -4.347 0.797 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.353 -3.836 -0.311 1.00 1.00 H new ATOM 522 N ASN A 34 2.365 -4.562 -1.992 1.00 1.00 N ATOM 523 CA ASN A 34 3.291 -3.465 -1.773 1.00 1.00 C ATOM 524 C ASN A 34 2.648 -2.159 -2.243 1.00 1.00 C ATOM 525 O ASN A 34 1.540 -2.165 -2.777 1.00 1.00 O ATOM 526 CB ASN A 34 4.583 -3.668 -2.566 1.00 1.00 C ATOM 527 CG ASN A 34 5.174 -5.055 -2.306 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.851 -5.725 -1.339 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.056 -5.447 -3.221 1.00 1.00 N ATOM 0 H ASN A 34 1.865 -4.527 -2.880 1.00 1.00 H new ATOM 0 HA ASN A 34 3.523 -3.428 -0.709 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.383 -3.548 -3.631 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.308 -2.902 -2.289 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.507 -6.358 -3.137 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.281 -4.837 -4.007 1.00 1.00 H new ATOM 536 N LEU A 35 3.371 -1.069 -2.029 1.00 1.00 N ATOM 537 CA LEU A 35 2.884 0.242 -2.424 1.00 1.00 C ATOM 538 C LEU A 35 3.865 0.866 -3.419 1.00 1.00 C ATOM 539 O LEU A 35 5.078 0.750 -3.256 1.00 1.00 O ATOM 540 CB LEU A 35 2.622 1.110 -1.192 1.00 1.00 C ATOM 541 CG LEU A 35 3.599 2.265 -0.965 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.629 3.203 -2.174 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.276 3.011 0.331 1.00 1.00 C ATOM 0 H LEU A 35 4.290 -1.067 -1.587 1.00 1.00 H new ATOM 0 HA LEU A 35 1.924 0.155 -2.933 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.616 1.522 -1.269 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.637 0.469 -0.311 1.00 1.00 H new ATOM 0 HG LEU A 35 4.600 1.848 -0.855 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.331 4.015 -1.987 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.944 2.648 -3.058 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.634 3.615 -2.340 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.986 3.827 0.468 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.265 3.415 0.276 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.347 2.323 1.174 1.00 1.00 H new ATOM 555 N GLU A 36 3.302 1.514 -4.428 1.00 1.00 N ATOM 556 CA GLU A 36 4.111 2.156 -5.450 1.00 1.00 C ATOM 557 C GLU A 36 3.729 3.632 -5.579 1.00 1.00 C ATOM 558 O GLU A 36 2.581 3.955 -5.880 1.00 1.00 O ATOM 559 CB GLU A 36 3.974 1.435 -6.792 1.00 1.00 C ATOM 560 CG GLU A 36 4.840 2.101 -7.863 1.00 1.00 C ATOM 561 CD GLU A 36 3.976 2.855 -8.876 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.582 3.995 -8.547 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.729 2.275 -9.955 1.00 1.00 O ATOM 0 H GLU A 36 2.295 1.608 -4.560 1.00 1.00 H new ATOM 0 HA GLU A 36 5.157 2.096 -5.149 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.267 0.391 -6.680 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.931 1.441 -7.107 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.540 2.791 -7.392 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.434 1.345 -8.377 1.00 1.00 H new ATOM 570 N TYR A 37 4.713 4.488 -5.346 1.00 1.00 N ATOM 571 CA TYR A 37 4.494 5.922 -5.432 1.00 1.00 C ATOM 572 C TYR A 37 5.464 6.565 -6.425 1.00 1.00 C ATOM 573 O TYR A 37 6.678 6.407 -6.304 1.00 1.00 O ATOM 574 CB TYR A 37 4.772 6.476 -4.034 1.00 1.00 C ATOM 575 CG TYR A 37 4.797 8.004 -3.964 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.081 8.748 -4.879 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.534 8.639 -2.985 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.104 10.187 -4.813 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.557 10.077 -2.919 1.00 1.00 C ATOM 580 CZ TYR A 37 4.841 10.780 -3.836 1.00 1.00 C ATOM 581 OH TYR A 37 4.862 12.139 -3.774 1.00 1.00 O ATOM 0 H TYR A 37 5.664 4.216 -5.098 1.00 1.00 H new ATOM 0 HA TYR A 37 3.481 6.136 -5.772 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.011 6.104 -3.349 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.730 6.091 -3.686 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.503 8.252 -5.645 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.094 8.057 -2.268 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.549 10.781 -5.523 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.130 10.586 -2.158 1.00 1.00 H new ATOM 0 HH TYR A 37 5.428 12.424 -3.026 1.00 1.00 H new ATOM 591 N LYS A 38 4.892 7.277 -7.385 1.00 1.00 N ATOM 592 CA LYS A 38 5.690 7.945 -8.399 1.00 1.00 C ATOM 593 C LYS A 38 6.238 6.905 -9.378 1.00 1.00 C ATOM 594 O LYS A 38 6.911 7.253 -10.347 1.00 1.00 O ATOM 595 CB LYS A 38 6.774 8.806 -7.746 1.00 1.00 C ATOM 596 CG LYS A 38 6.190 9.662 -6.620 1.00 1.00 C ATOM 597 CD LYS A 38 6.999 10.948 -6.433 1.00 1.00 C ATOM 598 CE LYS A 38 6.791 11.902 -7.611 1.00 1.00 C ATOM 599 NZ LYS A 38 7.004 13.304 -7.185 1.00 1.00 N ATOM 0 H LYS A 38 3.885 7.406 -7.482 1.00 1.00 H new ATOM 0 HA LYS A 38 5.073 8.633 -8.977 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.562 8.166 -7.350 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.233 9.450 -8.496 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.153 9.910 -6.847 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.185 9.093 -5.691 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.701 11.438 -5.506 1.00 1.00 H new ATOM 0 HD3 LYS A 38 8.058 10.706 -6.339 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.481 11.651 -8.416 1.00 1.00 H new ATOM 0 HE3 LYS A 38 5.783 11.785 -8.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 6.859 13.939 -7.996 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 6.328 13.544 -6.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.974 13.415 -6.828 1.00 1.00 H new ATOM 613 N GLY A 39 5.929 5.649 -9.091 1.00 1.00 N ATOM 614 CA GLY A 39 6.382 4.556 -9.934 1.00 1.00 C ATOM 615 C GLY A 39 7.281 3.596 -9.152 1.00 1.00 C ATOM 616 O GLY A 39 7.742 2.592 -9.693 1.00 1.00 O ATOM 0 H GLY A 39 5.370 5.364 -8.286 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.521 4.015 -10.327 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.927 4.954 -10.790 1.00 1.00 H new ATOM 620 N LYS A 40 7.502 3.938 -7.892 1.00 1.00 N ATOM 621 CA LYS A 40 8.337 3.119 -7.030 1.00 1.00 C ATOM 622 C LYS A 40 7.448 2.202 -6.187 1.00 1.00 C ATOM 623 O LYS A 40 6.760 2.663 -5.279 1.00 1.00 O ATOM 624 CB LYS A 40 9.275 3.999 -6.199 1.00 1.00 C ATOM 625 CG LYS A 40 9.892 3.205 -5.046 1.00 1.00 C ATOM 626 CD LYS A 40 10.839 4.081 -4.223 1.00 1.00 C ATOM 627 CE LYS A 40 10.561 3.934 -2.726 1.00 1.00 C ATOM 628 NZ LYS A 40 11.152 5.065 -1.975 1.00 1.00 N ATOM 0 H LYS A 40 7.117 4.771 -7.447 1.00 1.00 H new ATOM 0 HA LYS A 40 8.984 2.476 -7.626 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.065 4.397 -6.835 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.724 4.852 -5.804 1.00 1.00 H new ATOM 0 HG2 LYS A 40 9.102 2.815 -4.404 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.435 2.346 -5.441 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.872 3.803 -4.434 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.723 5.124 -4.517 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.486 3.897 -2.552 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.976 2.993 -2.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.788 5.063 -1.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.187 4.967 -1.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.896 5.960 -2.438 1.00 1.00 H new ATOM 642 N SER A 41 7.493 0.920 -6.520 1.00 1.00 N ATOM 643 CA SER A 41 6.700 -0.066 -5.806 1.00 1.00 C ATOM 644 C SER A 41 7.591 -0.861 -4.849 1.00 1.00 C ATOM 645 O SER A 41 8.526 -1.533 -5.281 1.00 1.00 O ATOM 646 CB SER A 41 5.989 -1.010 -6.777 1.00 1.00 C ATOM 647 OG SER A 41 4.832 -1.604 -6.195 1.00 1.00 O ATOM 0 H SER A 41 8.066 0.542 -7.274 1.00 1.00 H new ATOM 0 HA SER A 41 5.938 0.460 -5.231 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.702 -0.459 -7.673 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.679 -1.793 -7.092 1.00 1.00 H new ATOM 0 HG SER A 41 4.858 -2.574 -6.333 1.00 1.00 H new ATOM 653 N VAL A 42 7.269 -0.757 -3.568 1.00 1.00 N ATOM 654 CA VAL A 42 8.030 -1.459 -2.547 1.00 1.00 C ATOM 655 C VAL A 42 7.089 -1.876 -1.415 1.00 1.00 C ATOM 656 O VAL A 42 6.169 -1.140 -1.063 1.00 1.00 O ATOM 657 CB VAL A 42 9.191 -0.586 -2.068 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.736 0.276 -3.209 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.773 0.280 -0.878 1.00 1.00 C ATOM 0 H VAL A 42 6.493 -0.198 -3.214 1.00 1.00 H new ATOM 0 HA VAL A 42 8.472 -2.368 -2.955 1.00 1.00 H new ATOM 0 HB VAL A 42 9.991 -1.247 -1.735 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.560 0.887 -2.842 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.092 -0.368 -4.013 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.944 0.924 -3.586 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.617 0.890 -0.558 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.947 0.928 -1.172 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.456 -0.361 -0.055 1.00 1.00 H new ATOM 669 N ASN A 43 7.353 -3.057 -0.875 1.00 1.00 N ATOM 670 CA ASN A 43 6.542 -3.582 0.211 1.00 1.00 C ATOM 671 C ASN A 43 6.249 -2.461 1.210 1.00 1.00 C ATOM 672 O ASN A 43 6.984 -2.282 2.180 1.00 1.00 O ATOM 673 CB ASN A 43 7.275 -4.700 0.955 1.00 1.00 C ATOM 674 CG ASN A 43 8.056 -5.586 -0.017 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.088 -5.209 -0.548 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.509 -6.780 -0.220 1.00 1.00 N ATOM 0 H ASN A 43 8.117 -3.665 -1.169 1.00 1.00 H new ATOM 0 HA ASN A 43 5.621 -3.978 -0.216 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.957 -4.268 1.687 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.557 -5.306 1.508 1.00 1.00 H new ATOM 0 HD21 ASN A 43 7.955 -7.444 -0.853 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.643 -7.032 0.257 1.00 1.00 H new ATOM 683 N LEU A 44 5.174 -1.736 0.939 1.00 1.00 N ATOM 684 CA LEU A 44 4.774 -0.638 1.802 1.00 1.00 C ATOM 685 C LEU A 44 5.444 -0.799 3.168 1.00 1.00 C ATOM 686 O LEU A 44 5.847 0.185 3.786 1.00 1.00 O ATOM 687 CB LEU A 44 3.249 -0.540 1.873 1.00 1.00 C ATOM 688 CG LEU A 44 2.472 -1.514 0.985 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.647 -2.955 1.469 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.998 -1.115 0.893 1.00 1.00 C ATOM 0 H LEU A 44 4.567 -1.888 0.133 1.00 1.00 H new ATOM 0 HA LEU A 44 5.112 0.313 1.390 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.942 -0.698 2.907 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.957 0.476 1.606 1.00 1.00 H new ATOM 0 HG LEU A 44 2.883 -1.461 -0.023 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.085 -3.627 0.821 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.703 -3.223 1.441 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.278 -3.043 2.491 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.468 -1.823 0.256 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.556 -1.122 1.889 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.918 -0.115 0.468 1.00 1.00 H new ATOM 702 N LYS A 45 5.543 -2.048 3.600 1.00 1.00 N ATOM 703 CA LYS A 45 6.157 -2.351 4.881 1.00 1.00 C ATOM 704 C LYS A 45 7.643 -1.993 4.827 1.00 1.00 C ATOM 705 O LYS A 45 8.355 -2.128 5.821 1.00 1.00 O ATOM 706 CB LYS A 45 5.888 -3.805 5.274 1.00 1.00 C ATOM 707 CG LYS A 45 6.370 -4.087 6.699 1.00 1.00 C ATOM 708 CD LYS A 45 5.540 -3.309 7.722 1.00 1.00 C ATOM 709 CE LYS A 45 6.352 -2.163 8.330 1.00 1.00 C ATOM 710 NZ LYS A 45 6.391 -2.281 9.804 1.00 1.00 N ATOM 0 H LYS A 45 5.208 -2.862 3.085 1.00 1.00 H new ATOM 0 HA LYS A 45 5.711 -1.745 5.670 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.821 -4.014 5.199 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.393 -4.473 4.577 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.301 -5.155 6.906 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.421 -3.812 6.793 1.00 1.00 H new ATOM 0 HD2 LYS A 45 4.645 -2.911 7.243 1.00 1.00 H new ATOM 0 HD3 LYS A 45 5.206 -3.982 8.512 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.366 -2.177 7.931 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.911 -1.207 8.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.946 -1.496 10.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.422 -2.246 10.181 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 6.832 -3.185 10.068 1.00 1.00 H new ATOM 724 N SER A 46 8.069 -1.544 3.655 1.00 1.00 N ATOM 725 CA SER A 46 9.458 -1.166 3.458 1.00 1.00 C ATOM 726 C SER A 46 9.664 0.296 3.859 1.00 1.00 C ATOM 727 O SER A 46 9.910 1.148 3.007 1.00 1.00 O ATOM 728 CB SER A 46 9.887 -1.384 2.006 1.00 1.00 C ATOM 729 OG SER A 46 11.275 -1.125 1.815 1.00 1.00 O ATOM 0 H SER A 46 7.476 -1.434 2.832 1.00 1.00 H new ATOM 0 HA SER A 46 10.079 -1.800 4.091 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.666 -2.410 1.713 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.304 -0.734 1.354 1.00 1.00 H new ATOM 0 HG SER A 46 11.510 -1.277 0.876 1.00 1.00 H new ATOM 735 N ILE A 47 9.556 0.541 5.156 1.00 1.00 N ATOM 736 CA ILE A 47 9.727 1.885 5.681 1.00 1.00 C ATOM 737 C ILE A 47 10.878 2.572 4.944 1.00 1.00 C ATOM 738 O ILE A 47 10.704 3.655 4.385 1.00 1.00 O ATOM 739 CB ILE A 47 9.905 1.849 7.200 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.043 2.916 7.879 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.381 1.975 7.583 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.574 2.770 7.478 1.00 1.00 C ATOM 0 H ILE A 47 9.352 -0.169 5.860 1.00 1.00 H new ATOM 0 HA ILE A 47 8.832 2.480 5.502 1.00 1.00 H new ATOM 0 HB ILE A 47 9.561 0.880 7.561 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.138 2.831 8.961 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.402 3.908 7.604 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.479 1.947 8.668 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.942 1.149 7.146 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.775 2.920 7.208 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.983 3.540 7.974 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.479 2.880 6.398 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.212 1.786 7.776 1.00 1.00 H new ATOM 754 N MET A 48 12.029 1.916 4.965 1.00 1.00 N ATOM 755 CA MET A 48 13.208 2.450 4.306 1.00 1.00 C ATOM 756 C MET A 48 12.844 3.090 2.965 1.00 1.00 C ATOM 757 O MET A 48 12.836 4.313 2.838 1.00 1.00 O ATOM 758 CB MET A 48 14.219 1.325 4.077 1.00 1.00 C ATOM 759 CG MET A 48 15.376 1.798 3.195 1.00 1.00 C ATOM 760 SD MET A 48 15.986 0.442 2.207 1.00 1.00 S ATOM 761 CE MET A 48 14.544 0.114 1.207 1.00 1.00 C ATOM 0 H MET A 48 12.170 1.018 5.429 1.00 1.00 H new ATOM 0 HA MET A 48 13.643 3.217 4.947 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.606 0.978 5.035 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.723 0.476 3.607 1.00 1.00 H new ATOM 0 HG2 MET A 48 15.042 2.609 2.548 1.00 1.00 H new ATOM 0 HG3 MET A 48 16.178 2.196 3.816 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.775 -0.664 0.479 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.726 -0.219 1.846 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.249 1.024 0.684 1.00 1.00 H new ATOM 771 N GLY A 49 12.550 2.234 1.997 1.00 1.00 N ATOM 772 CA GLY A 49 12.186 2.700 0.670 1.00 1.00 C ATOM 773 C GLY A 49 10.984 3.645 0.732 1.00 1.00 C ATOM 774 O GLY A 49 11.029 4.749 0.193 1.00 1.00 O ATOM 0 H GLY A 49 12.557 1.220 2.106 1.00 1.00 H new ATOM 0 HA2 GLY A 49 13.034 3.213 0.216 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.951 1.847 0.033 1.00 1.00 H new ATOM 778 N VAL A 50 9.936 3.175 1.394 1.00 1.00 N ATOM 779 CA VAL A 50 8.724 3.964 1.533 1.00 1.00 C ATOM 780 C VAL A 50 9.069 5.314 2.166 1.00 1.00 C ATOM 781 O VAL A 50 8.702 6.363 1.638 1.00 1.00 O ATOM 782 CB VAL A 50 7.678 3.180 2.329 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.127 4.019 3.484 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.550 2.691 1.419 1.00 1.00 C ATOM 0 H VAL A 50 9.902 2.258 1.840 1.00 1.00 H new ATOM 0 HA VAL A 50 8.285 4.166 0.556 1.00 1.00 H new ATOM 0 HB VAL A 50 8.168 2.304 2.755 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.386 3.439 4.034 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.941 4.295 4.154 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.661 4.921 3.088 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.820 2.137 2.010 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.063 3.547 0.951 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.961 2.040 0.647 1.00 1.00 H new ATOM 794 N MET A 51 9.770 5.243 3.288 1.00 1.00 N ATOM 795 CA MET A 51 10.169 6.447 3.998 1.00 1.00 C ATOM 796 C MET A 51 10.657 7.522 3.025 1.00 1.00 C ATOM 797 O MET A 51 10.185 8.657 3.061 1.00 1.00 O ATOM 798 CB MET A 51 11.285 6.109 4.989 1.00 1.00 C ATOM 799 CG MET A 51 10.712 5.532 6.285 1.00 1.00 C ATOM 800 SD MET A 51 10.748 6.768 7.572 1.00 1.00 S ATOM 801 CE MET A 51 10.624 8.249 6.583 1.00 1.00 C ATOM 0 H MET A 51 10.072 4.371 3.723 1.00 1.00 H new ATOM 0 HA MET A 51 9.302 6.835 4.532 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.970 5.391 4.539 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.863 7.006 5.211 1.00 1.00 H new ATOM 0 HG2 MET A 51 9.688 5.195 6.121 1.00 1.00 H new ATOM 0 HG3 MET A 51 11.290 4.660 6.591 1.00 1.00 H new ATOM 0 HE1 MET A 51 10.314 9.083 7.213 1.00 1.00 H new ATOM 0 HE2 MET A 51 11.594 8.472 6.138 1.00 1.00 H new ATOM 0 HE3 MET A 51 9.888 8.098 5.793 1.00 1.00 H new ATOM 811 N SER A 52 11.596 7.125 2.178 1.00 1.00 N ATOM 812 CA SER A 52 12.153 8.041 1.197 1.00 1.00 C ATOM 813 C SER A 52 11.068 8.471 0.207 1.00 1.00 C ATOM 814 O SER A 52 11.156 9.544 -0.388 1.00 1.00 O ATOM 815 CB SER A 52 13.328 7.402 0.453 1.00 1.00 C ATOM 816 OG SER A 52 13.389 7.822 -0.907 1.00 1.00 O ATOM 0 H SER A 52 11.985 6.182 2.151 1.00 1.00 H new ATOM 0 HA SER A 52 12.525 8.921 1.722 1.00 1.00 H new ATOM 0 HB2 SER A 52 14.260 7.662 0.955 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.236 6.317 0.494 1.00 1.00 H new ATOM 0 HG SER A 52 14.153 7.394 -1.348 1.00 1.00 H new ATOM 822 N LEU A 53 10.071 7.611 0.062 1.00 1.00 N ATOM 823 CA LEU A 53 8.970 7.888 -0.846 1.00 1.00 C ATOM 824 C LEU A 53 7.845 8.584 -0.078 1.00 1.00 C ATOM 825 O LEU A 53 7.775 9.812 -0.049 1.00 1.00 O ATOM 826 CB LEU A 53 8.529 6.609 -1.559 1.00 1.00 C ATOM 827 CG LEU A 53 8.607 6.632 -3.087 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.893 5.421 -3.691 1.00 1.00 C ATOM 829 CD2 LEU A 53 8.069 7.951 -3.644 1.00 1.00 C ATOM 0 H LEU A 53 10.002 6.722 0.558 1.00 1.00 H new ATOM 0 HA LEU A 53 9.288 8.570 -1.634 1.00 1.00 H new ATOM 0 HB2 LEU A 53 9.142 5.784 -1.196 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.500 6.392 -1.271 1.00 1.00 H new ATOM 0 HG LEU A 53 9.656 6.565 -3.376 1.00 1.00 H new ATOM 0 HD11 LEU A 53 7.963 5.462 -4.778 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.362 4.505 -3.331 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.844 5.432 -3.395 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.136 7.941 -4.732 1.00 1.00 H new ATOM 0 HD22 LEU A 53 7.028 8.074 -3.346 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.659 8.779 -3.252 1.00 1.00 H new ATOM 841 N GLY A 54 6.991 7.770 0.525 1.00 1.00 N ATOM 842 CA GLY A 54 5.872 8.292 1.291 1.00 1.00 C ATOM 843 C GLY A 54 5.016 9.232 0.440 1.00 1.00 C ATOM 844 O GLY A 54 5.534 9.936 -0.425 1.00 1.00 O ATOM 0 H GLY A 54 7.052 6.752 0.499 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.260 7.467 1.656 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.243 8.825 2.167 1.00 1.00 H new ATOM 848 N VAL A 55 3.720 9.212 0.715 1.00 1.00 N ATOM 849 CA VAL A 55 2.788 10.054 -0.015 1.00 1.00 C ATOM 850 C VAL A 55 1.943 10.853 0.980 1.00 1.00 C ATOM 851 O VAL A 55 2.215 10.843 2.179 1.00 1.00 O ATOM 852 CB VAL A 55 1.945 9.200 -0.964 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.398 9.383 -2.414 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.985 7.726 -0.558 1.00 1.00 C ATOM 0 H VAL A 55 3.294 8.626 1.433 1.00 1.00 H new ATOM 0 HA VAL A 55 3.326 10.771 -0.635 1.00 1.00 H new ATOM 0 HB VAL A 55 0.911 9.538 -0.891 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.783 8.765 -3.068 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.292 10.430 -2.699 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.442 9.085 -2.509 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.378 7.142 -1.249 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.014 7.368 -0.588 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.592 7.616 0.453 1.00 1.00 H new ATOM 864 N GLY A 56 0.936 11.527 0.444 1.00 1.00 N ATOM 865 CA GLY A 56 0.050 12.330 1.270 1.00 1.00 C ATOM 866 C GLY A 56 -0.695 13.367 0.427 1.00 1.00 C ATOM 867 O GLY A 56 -1.737 13.067 -0.154 1.00 1.00 O ATOM 0 H GLY A 56 0.714 11.534 -0.552 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.667 11.683 1.775 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.627 12.833 2.046 1.00 1.00 H new ATOM 871 N GLN A 57 -0.132 14.565 0.387 1.00 1.00 N ATOM 872 CA GLN A 57 -0.730 15.648 -0.375 1.00 1.00 C ATOM 873 C GLN A 57 -1.291 15.120 -1.696 1.00 1.00 C ATOM 874 O GLN A 57 -0.615 15.160 -2.723 1.00 1.00 O ATOM 875 CB GLN A 57 0.281 16.771 -0.618 1.00 1.00 C ATOM 876 CG GLN A 57 0.011 17.961 0.305 1.00 1.00 C ATOM 877 CD GLN A 57 1.188 18.939 0.297 1.00 1.00 C ATOM 878 OE1 GLN A 57 1.210 19.918 -0.431 1.00 1.00 O ATOM 879 NE2 GLN A 57 2.162 18.620 1.145 1.00 1.00 N ATOM 0 H GLN A 57 0.732 14.810 0.870 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.553 16.064 0.206 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.291 16.398 -0.450 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.229 17.094 -1.658 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.896 18.475 -0.014 1.00 1.00 H new ATOM 0 HG3 GLN A 57 -0.164 17.606 1.320 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.080 17.786 1.726 1.00 1.00 H new ATOM 0 HE22 GLN A 57 2.991 19.210 1.214 1.00 1.00 H new ATOM 888 N GLY A 58 -2.523 14.638 -1.628 1.00 1.00 N ATOM 889 CA GLY A 58 -3.184 14.102 -2.807 1.00 1.00 C ATOM 890 C GLY A 58 -2.219 13.254 -3.638 1.00 1.00 C ATOM 891 O GLY A 58 -2.514 12.913 -4.782 1.00 1.00 O ATOM 0 H GLY A 58 -3.081 14.607 -0.775 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.039 13.497 -2.506 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.571 14.920 -3.415 1.00 1.00 H new ATOM 895 N SER A 59 -1.085 12.938 -3.030 1.00 1.00 N ATOM 896 CA SER A 59 -0.075 12.136 -3.699 1.00 1.00 C ATOM 897 C SER A 59 -0.694 10.831 -4.205 1.00 1.00 C ATOM 898 O SER A 59 -1.493 10.208 -3.508 1.00 1.00 O ATOM 899 CB SER A 59 1.100 11.839 -2.766 1.00 1.00 C ATOM 900 OG SER A 59 1.523 13.000 -2.055 1.00 1.00 O ATOM 0 H SER A 59 -0.843 13.223 -2.081 1.00 1.00 H new ATOM 0 HA SER A 59 0.305 12.704 -4.548 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.812 11.064 -2.056 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.934 11.446 -3.347 1.00 1.00 H new ATOM 0 HG SER A 59 2.274 12.769 -1.469 1.00 1.00 H new ATOM 906 N ASP A 60 -0.300 10.455 -5.413 1.00 1.00 N ATOM 907 CA ASP A 60 -0.806 9.236 -6.020 1.00 1.00 C ATOM 908 C ASP A 60 0.240 8.128 -5.875 1.00 1.00 C ATOM 909 O ASP A 60 1.439 8.399 -5.871 1.00 1.00 O ATOM 910 CB ASP A 60 -1.080 9.436 -7.511 1.00 1.00 C ATOM 911 CG ASP A 60 0.167 9.611 -8.380 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.781 10.695 -8.280 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.478 8.656 -9.125 1.00 1.00 O ATOM 0 H ASP A 60 0.364 10.974 -5.988 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.735 8.968 -5.516 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.644 8.579 -7.880 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.716 10.313 -7.634 1.00 1.00 H new ATOM 918 N VAL A 61 -0.254 6.904 -5.760 1.00 1.00 N ATOM 919 CA VAL A 61 0.623 5.754 -5.616 1.00 1.00 C ATOM 920 C VAL A 61 -0.031 4.535 -6.269 1.00 1.00 C ATOM 921 O VAL A 61 -1.123 4.635 -6.827 1.00 1.00 O ATOM 922 CB VAL A 61 0.958 5.534 -4.139 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.777 6.701 -3.583 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.312 5.313 -3.316 1.00 1.00 C ATOM 0 H VAL A 61 -1.250 6.683 -5.764 1.00 1.00 H new ATOM 0 HA VAL A 61 1.569 5.928 -6.128 1.00 1.00 H new ATOM 0 HB VAL A 61 1.566 4.633 -4.064 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.002 6.520 -2.532 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.708 6.791 -4.143 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.206 7.624 -3.678 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -0.046 5.159 -2.270 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.958 6.187 -3.401 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.839 4.435 -3.689 1.00 1.00 H new ATOM 934 N THR A 62 0.664 3.411 -6.177 1.00 1.00 N ATOM 935 CA THR A 62 0.164 2.173 -6.752 1.00 1.00 C ATOM 936 C THR A 62 0.395 1.006 -5.789 1.00 1.00 C ATOM 937 O THR A 62 1.495 0.837 -5.266 1.00 1.00 O ATOM 938 CB THR A 62 0.835 1.979 -8.113 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.091 2.540 -9.040 1.00 1.00 O ATOM 940 CG2 THR A 62 0.923 0.507 -8.519 1.00 1.00 C ATOM 0 H THR A 62 1.569 3.331 -5.713 1.00 1.00 H new ATOM 0 HA THR A 62 -0.914 2.216 -6.908 1.00 1.00 H new ATOM 0 HB THR A 62 1.837 2.408 -8.088 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.397 3.036 -9.730 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.407 0.426 -9.492 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.505 -0.041 -7.778 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.080 0.085 -8.577 1.00 1.00 H new ATOM 948 N ILE A 63 -0.660 0.232 -5.585 1.00 1.00 N ATOM 949 CA ILE A 63 -0.586 -0.914 -4.695 1.00 1.00 C ATOM 950 C ILE A 63 -0.478 -2.194 -5.526 1.00 1.00 C ATOM 951 O ILE A 63 -0.945 -2.242 -6.663 1.00 1.00 O ATOM 952 CB ILE A 63 -1.765 -0.912 -3.720 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.288 -1.128 -2.282 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.822 -1.938 -4.134 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.173 0.203 -1.536 1.00 1.00 C ATOM 0 H ILE A 63 -1.571 0.376 -6.021 1.00 1.00 H new ATOM 0 HA ILE A 63 0.310 -0.858 -4.077 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.238 0.069 -3.758 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.984 -1.783 -1.759 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.321 -1.630 -2.288 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.649 -1.916 -3.424 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.193 -1.697 -5.130 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.379 -2.934 -4.143 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.832 0.021 -0.517 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.458 0.846 -2.048 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.147 0.691 -1.511 1.00 1.00 H new ATOM 967 N THR A 64 0.141 -3.201 -4.926 1.00 1.00 N ATOM 968 CA THR A 64 0.316 -4.478 -5.597 1.00 1.00 C ATOM 969 C THR A 64 -0.010 -5.629 -4.644 1.00 1.00 C ATOM 970 O THR A 64 0.197 -5.519 -3.437 1.00 1.00 O ATOM 971 CB THR A 64 1.743 -4.530 -6.147 1.00 1.00 C ATOM 972 OG1 THR A 64 2.024 -3.182 -6.511 1.00 1.00 O ATOM 973 CG2 THR A 64 1.832 -5.299 -7.467 1.00 1.00 C ATOM 0 H THR A 64 0.527 -3.158 -3.983 1.00 1.00 H new ATOM 0 HA THR A 64 -0.375 -4.584 -6.433 1.00 1.00 H new ATOM 0 HB THR A 64 2.400 -4.994 -5.411 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.932 -3.124 -6.876 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.865 -5.307 -7.815 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.493 -6.324 -7.315 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.202 -4.815 -8.213 1.00 1.00 H new ATOM 981 N VAL A 65 -0.516 -6.709 -5.223 1.00 1.00 N ATOM 982 CA VAL A 65 -0.873 -7.880 -4.440 1.00 1.00 C ATOM 983 C VAL A 65 -0.631 -9.139 -5.275 1.00 1.00 C ATOM 984 O VAL A 65 -1.216 -9.301 -6.345 1.00 1.00 O ATOM 985 CB VAL A 65 -2.316 -7.759 -3.947 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.308 -8.071 -5.069 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.558 -8.660 -2.735 1.00 1.00 C ATOM 0 H VAL A 65 -0.687 -6.797 -6.225 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.245 -7.952 -3.552 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.478 -6.727 -3.635 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.326 -7.977 -4.691 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.160 -7.370 -5.891 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.146 -9.088 -5.426 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.591 -8.555 -2.404 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.368 -9.698 -3.009 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.887 -8.370 -1.926 1.00 1.00 H new ATOM 997 N ASP A 66 0.233 -9.998 -4.755 1.00 1.00 N ATOM 998 CA ASP A 66 0.561 -11.237 -5.439 1.00 1.00 C ATOM 999 C ASP A 66 0.688 -12.364 -4.411 1.00 1.00 C ATOM 1000 O ASP A 66 1.513 -12.289 -3.502 1.00 1.00 O ATOM 1001 CB ASP A 66 1.893 -11.122 -6.181 1.00 1.00 C ATOM 1002 CG ASP A 66 2.559 -9.746 -6.105 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.819 -8.749 -6.249 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.792 -9.723 -5.904 1.00 1.00 O ATOM 0 H ASP A 66 0.716 -9.860 -3.867 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.233 -11.446 -6.156 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.581 -11.865 -5.778 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.731 -11.373 -7.229 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.142 -13.381 -4.589 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.132 -14.521 -3.689 1.00 1.00 C ATOM 1011 C GLY A 67 -1.538 -15.101 -3.523 1.00 1.00 C ATOM 1012 O GLY A 67 -2.320 -15.123 -4.472 1.00 1.00 O ATOM 0 H GLY A 67 -0.826 -13.439 -5.343 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.538 -15.288 -4.076 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.257 -14.218 -2.717 1.00 1.00 H new ATOM 1016 N ALA A 68 -1.817 -15.557 -2.311 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.115 -16.135 -2.009 1.00 1.00 C ATOM 1018 C ALA A 68 -4.068 -15.029 -1.553 1.00 1.00 C ATOM 1019 O ALA A 68 -5.196 -14.937 -2.037 1.00 1.00 O ATOM 1020 CB ALA A 68 -2.952 -17.235 -0.957 1.00 1.00 C ATOM 0 H ALA A 68 -1.166 -15.538 -1.526 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.546 -16.595 -2.898 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -3.926 -17.669 -0.730 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.290 -18.011 -1.341 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.524 -16.810 -0.049 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.580 -14.216 -0.627 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.375 -13.119 -0.101 1.00 1.00 C ATOM 1028 C ASP A 69 -4.857 -12.243 -1.259 1.00 1.00 C ATOM 1029 O ASP A 69 -5.979 -11.739 -1.235 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.548 -12.243 0.842 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.065 -12.174 2.280 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.393 -13.254 2.818 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.121 -11.043 2.810 1.00 1.00 O ATOM 0 H ASP A 69 -2.645 -14.295 -0.228 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.216 -13.544 0.446 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.524 -12.617 0.857 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.511 -11.232 0.436 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.985 -12.087 -2.244 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.308 -11.280 -3.408 1.00 1.00 C ATOM 1040 C GLU A 70 -5.586 -10.476 -3.160 1.00 1.00 C ATOM 1041 O GLU A 70 -5.527 -9.338 -2.696 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.443 -12.151 -4.659 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.533 -13.633 -4.288 1.00 1.00 C ATOM 1044 CD GLU A 70 -5.991 -14.077 -4.155 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.656 -13.569 -3.226 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -6.407 -14.914 -4.984 1.00 1.00 O ATOM 0 H GLU A 70 -3.055 -12.506 -2.260 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.490 -10.581 -3.578 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.332 -11.857 -5.217 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.587 -11.988 -5.314 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.034 -14.233 -5.049 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -4.008 -13.809 -3.349 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.710 -11.099 -3.479 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.000 -10.456 -3.296 1.00 1.00 C ATOM 1055 C ALA A 71 -8.073 -9.860 -1.889 1.00 1.00 C ATOM 1056 O ALA A 71 -8.048 -8.641 -1.726 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.117 -11.469 -3.558 1.00 1.00 C ATOM 0 H ALA A 71 -6.755 -12.043 -3.863 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.126 -9.640 -4.007 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.085 -10.987 -3.421 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -9.038 -11.841 -4.580 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -9.024 -12.301 -2.861 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.160 -10.746 -0.909 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.236 -10.323 0.479 1.00 1.00 C ATOM 1065 C GLU A 72 -7.194 -9.238 0.761 1.00 1.00 C ATOM 1066 O GLU A 72 -7.525 -8.176 1.285 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.060 -11.511 1.426 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.223 -11.121 2.646 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.938 -10.059 3.484 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.173 -10.187 3.629 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.233 -9.144 3.962 1.00 1.00 O ATOM 0 H GLU A 72 -8.180 -11.756 -1.048 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.226 -9.904 0.656 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.037 -11.870 1.750 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -7.578 -12.333 0.898 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.031 -12.003 3.257 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.254 -10.741 2.321 1.00 1.00 H new ATOM 1078 N GLY A 73 -5.957 -9.544 0.400 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.864 -8.609 0.608 1.00 1.00 C ATOM 1080 C GLY A 73 -5.217 -7.224 0.062 1.00 1.00 C ATOM 1081 O GLY A 73 -5.601 -6.333 0.818 1.00 1.00 O ATOM 0 H GLY A 73 -5.687 -10.426 -0.035 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.639 -8.538 1.672 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -3.965 -8.980 0.116 1.00 1.00 H new ATOM 1085 N MET A 74 -5.073 -7.085 -1.248 1.00 1.00 N ATOM 1086 CA MET A 74 -5.372 -5.824 -1.905 1.00 1.00 C ATOM 1087 C MET A 74 -6.777 -5.337 -1.544 1.00 1.00 C ATOM 1088 O MET A 74 -7.013 -4.135 -1.438 1.00 1.00 O ATOM 1089 CB MET A 74 -5.266 -5.999 -3.421 1.00 1.00 C ATOM 1090 CG MET A 74 -6.069 -7.214 -3.890 1.00 1.00 C ATOM 1091 SD MET A 74 -7.204 -6.734 -5.181 1.00 1.00 S ATOM 1092 CE MET A 74 -8.757 -6.965 -4.332 1.00 1.00 C ATOM 0 H MET A 74 -4.753 -7.825 -1.872 1.00 1.00 H new ATOM 0 HA MET A 74 -4.651 -5.080 -1.566 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.632 -5.102 -3.921 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.220 -6.118 -3.705 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.394 -7.987 -4.257 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.619 -7.643 -3.052 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.462 -7.469 -4.993 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.598 -7.572 -3.441 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.161 -5.995 -4.042 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.673 -6.296 -1.365 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.048 -5.981 -1.018 1.00 1.00 C ATOM 1104 C ALA A 75 -9.061 -4.929 0.093 1.00 1.00 C ATOM 1105 O ALA A 75 -9.622 -3.847 -0.077 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.781 -7.262 -0.616 1.00 1.00 C ATOM 0 H ALA A 75 -7.473 -7.292 -1.454 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.573 -5.561 -1.876 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.813 -7.025 -0.356 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.769 -7.965 -1.449 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.284 -7.711 0.244 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.436 -5.283 1.207 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.369 -4.383 2.345 1.00 1.00 C ATOM 1114 C ALA A 76 -7.714 -3.069 1.913 1.00 1.00 C ATOM 1115 O ALA A 76 -8.305 -2.000 2.059 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.613 -5.062 3.489 1.00 1.00 C ATOM 0 H ALA A 76 -7.972 -6.181 1.345 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.370 -4.149 2.708 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.563 -4.387 4.343 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.134 -5.975 3.778 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.603 -5.309 3.162 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.503 -3.192 1.391 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.762 -2.028 0.937 1.00 1.00 C ATOM 1124 C ILE A 77 -6.669 -1.161 0.061 1.00 1.00 C ATOM 1125 O ILE A 77 -6.864 0.021 0.341 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.465 -2.454 0.247 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.275 -2.349 1.203 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.239 -1.654 -1.038 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.198 -0.957 1.833 1.00 1.00 C ATOM 0 H ILE A 77 -6.016 -4.080 1.272 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.458 -1.415 1.786 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.558 -3.502 -0.038 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.366 -3.102 1.986 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.351 -2.560 0.664 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.310 -1.976 -1.509 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.070 -1.823 -1.722 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.175 -0.592 -0.799 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.343 -0.910 2.508 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.083 -0.209 1.049 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.113 -0.759 2.392 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.199 -1.782 -0.982 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.081 -1.083 -1.901 1.00 1.00 C ATOM 1143 C VAL A 78 -9.182 -0.377 -1.107 1.00 1.00 C ATOM 1144 O VAL A 78 -9.309 0.845 -1.166 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.627 -2.057 -2.946 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.337 -1.309 -4.076 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.516 -2.954 -3.495 1.00 1.00 C ATOM 0 H VAL A 78 -7.035 -2.762 -1.211 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.532 -0.316 -2.448 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.361 -2.696 -2.455 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.715 -2.025 -4.805 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.168 -0.735 -3.666 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.634 -0.633 -4.563 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.932 -3.637 -4.236 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.747 -2.337 -3.961 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.076 -3.528 -2.680 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.950 -1.178 -0.383 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.036 -0.646 0.422 1.00 1.00 C ATOM 1159 C GLU A 79 -10.516 0.444 1.362 1.00 1.00 C ATOM 1160 O GLU A 79 -11.099 1.524 1.449 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.734 -1.759 1.206 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.078 -2.118 0.570 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.233 -1.845 1.536 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.347 -0.677 1.968 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.975 -2.809 1.821 1.00 1.00 O ATOM 0 H GLU A 79 -9.842 -2.191 -0.337 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.773 -0.201 -0.246 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.095 -2.642 1.238 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.889 -1.440 2.237 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.218 -1.539 -0.343 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.079 -3.170 0.284 1.00 1.00 H new ATOM 1172 N THR A 80 -9.425 0.124 2.041 1.00 1.00 N ATOM 1173 CA THR A 80 -8.820 1.062 2.971 1.00 1.00 C ATOM 1174 C THR A 80 -8.397 2.338 2.241 1.00 1.00 C ATOM 1175 O THR A 80 -8.754 3.441 2.653 1.00 1.00 O ATOM 1176 CB THR A 80 -7.661 0.351 3.673 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.993 0.431 5.057 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.345 1.123 3.560 1.00 1.00 C ATOM 0 H THR A 80 -8.944 -0.772 1.966 1.00 1.00 H new ATOM 0 HA THR A 80 -9.533 1.381 3.731 1.00 1.00 H new ATOM 0 HB THR A 80 -7.535 -0.645 3.247 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.295 -0.007 5.587 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.556 0.575 4.075 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.080 1.239 2.509 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.460 2.107 4.015 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.641 2.146 1.170 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.166 3.268 0.379 1.00 1.00 C ATOM 1188 C LEU A 81 -8.300 4.279 0.201 1.00 1.00 C ATOM 1189 O LEU A 81 -8.090 5.484 0.336 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.567 2.778 -0.941 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.108 2.320 -0.887 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.174 3.401 -1.436 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.720 1.892 0.529 1.00 1.00 C ATOM 0 H LEU A 81 -7.346 1.230 0.832 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.358 3.783 0.898 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.174 1.950 -1.307 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.648 3.581 -1.674 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.000 1.445 -1.528 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.143 3.051 -1.386 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.435 3.615 -2.472 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.278 4.308 -0.841 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.678 1.571 0.540 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.848 2.733 1.211 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.357 1.067 0.847 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.478 3.752 -0.099 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.646 4.593 -0.296 1.00 1.00 C ATOM 1207 C GLN A 82 -11.459 4.684 0.997 1.00 1.00 C ATOM 1208 O GLN A 82 -12.270 5.594 1.162 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.507 4.074 -1.449 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.646 3.389 -2.512 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.313 2.107 -3.016 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -11.547 1.923 -4.199 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -11.604 1.235 -2.055 1.00 1.00 N ATOM 0 H GLN A 82 -9.649 2.753 -0.210 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.308 5.595 -0.561 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.247 3.371 -1.067 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.056 4.901 -1.899 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.482 4.070 -3.347 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.666 3.154 -2.096 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -11.380 1.453 -1.084 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -12.051 0.348 -2.289 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.214 3.729 1.881 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.913 3.690 3.155 1.00 1.00 C ATOM 1224 C LYS A 83 -11.274 4.697 4.113 1.00 1.00 C ATOM 1225 O LYS A 83 -11.977 5.421 4.817 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.952 2.261 3.701 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.477 2.217 5.155 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.565 0.796 5.717 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.593 -0.238 4.590 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.741 -1.603 5.144 1.00 1.00 N ATOM 0 H LYS A 83 -10.541 2.976 1.741 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.954 3.987 3.028 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.967 1.870 3.634 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.321 1.617 3.089 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.449 2.573 5.217 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.084 2.890 5.760 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.713 0.606 6.369 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.462 0.698 6.328 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.418 -0.023 3.911 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.675 -0.173 4.006 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.758 -2.293 4.366 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.940 -1.811 5.774 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.629 -1.665 5.682 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.949 4.711 4.109 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.208 5.618 4.970 1.00 1.00 C ATOM 1246 C GLU A 84 -8.914 6.926 4.234 1.00 1.00 C ATOM 1247 O GLU A 84 -8.098 7.728 4.687 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.917 4.967 5.469 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.107 3.464 5.683 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.941 3.190 6.936 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.373 4.184 7.559 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.129 1.993 7.242 1.00 1.00 O ATOM 0 H GLU A 84 -9.370 4.109 3.524 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.822 5.845 5.842 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.118 5.137 4.748 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.608 5.435 6.404 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.598 3.028 4.813 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.135 2.980 5.776 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.594 7.103 3.110 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.416 8.300 2.307 1.00 1.00 C ATOM 1261 C GLY A 85 -7.938 8.527 1.981 1.00 1.00 C ATOM 1262 O GLY A 85 -7.549 9.620 1.573 1.00 1.00 O ATOM 0 H GLY A 85 -10.270 6.436 2.737 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.986 8.210 1.382 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.811 9.163 2.842 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.155 7.475 2.173 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.729 7.546 1.905 1.00 1.00 C ATOM 1268 C LEU A 86 -5.482 7.302 0.415 1.00 1.00 C ATOM 1269 O LEU A 86 -4.336 7.252 -0.029 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.964 6.588 2.819 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.418 7.189 4.116 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.998 6.092 5.096 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.279 8.170 3.829 1.00 1.00 C ATOM 0 H LEU A 86 -7.481 6.570 2.511 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.348 8.541 2.134 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.623 5.759 3.076 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.129 6.170 2.256 1.00 1.00 H new ATOM 0 HG LEU A 86 -5.218 7.756 4.593 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.614 6.547 6.009 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.860 5.469 5.336 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.221 5.477 4.642 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.909 8.583 4.768 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.470 7.648 3.318 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.646 8.979 3.197 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.577 7.157 -0.318 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.494 6.920 -1.749 1.00 1.00 C ATOM 1287 C ALA A 87 -7.906 6.861 -2.334 1.00 1.00 C ATOM 1288 O ALA A 87 -8.875 6.652 -1.607 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.701 5.637 -2.009 1.00 1.00 C ATOM 0 H ALA A 87 -7.526 7.199 0.053 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.966 7.735 -2.243 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.639 5.459 -3.083 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.696 5.741 -1.599 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.203 4.796 -1.530 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.978 7.048 -3.644 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.255 7.019 -4.336 1.00 1.00 C ATOM 1297 C GLU A 88 -9.445 5.676 -5.043 1.00 1.00 C ATOM 1298 O GLU A 88 -8.547 4.835 -5.038 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.370 8.181 -5.324 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.096 8.318 -6.160 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.426 8.705 -7.603 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.538 8.346 -8.047 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.559 9.351 -8.230 1.00 1.00 O ATOM 0 H GLU A 88 -7.172 7.220 -4.245 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.049 7.134 -3.598 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.225 8.021 -5.981 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.554 9.108 -4.781 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.446 9.072 -5.717 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.546 7.377 -6.149 1.00 1.00 H new