USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 55 THR OG1 : rot 114:sc= 0.645 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.571 USER MOD Set 2.1: A 22 THR OG1 : rot -84:sc= 0.752 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= -0.82! F(o=-0.77,f=-0.067!) USER MOD Set 3.1: A 7 THR OG1 : rot 132:sc= 0.566 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.527 USER MOD Single : A 1 MET CE :methyl -160:sc= 0 (180deg=-0.561) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.03 (180deg=0.0399) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0667 (180deg=-0.457) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -87:sc= 1.2 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc=-0.00319 (180deg=-0.146) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 0.0103 (180deg=-0.268) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.812 F(o=-2.1!,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0683 (180deg=-0.496) USER MOD Single : A 40 GLN : amide:sc= -0.125 K(o=-0.13,f=-2.2!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.91 F(o=-1.7,f=-0.91) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.89) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 27:sc= 0.083 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.339 29.570 1.634 1.00 0.00 N ATOM 2 CA MET A 1 31.425 30.977 2.117 1.00 0.00 C ATOM 3 C MET A 1 32.351 31.037 3.327 1.00 0.00 C ATOM 4 O MET A 1 32.632 30.017 3.956 1.00 0.00 O ATOM 5 CB MET A 1 30.029 31.475 2.499 1.00 0.00 C ATOM 6 CG MET A 1 29.474 30.632 3.653 1.00 0.00 C ATOM 7 SD MET A 1 27.696 30.947 3.827 1.00 0.00 S ATOM 8 CE MET A 1 27.555 30.600 5.599 1.00 0.00 C ATOM 0 H1 MET A 1 30.414 29.413 1.185 1.00 0.00 H new ATOM 0 H2 MET A 1 32.094 29.394 0.941 1.00 0.00 H new ATOM 0 H3 MET A 1 31.449 28.920 2.438 1.00 0.00 H new ATOM 0 HA MET A 1 31.823 31.614 1.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.075 32.524 2.792 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.363 31.413 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.650 29.573 3.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.991 30.879 4.580 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.515 30.387 5.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.172 29.737 5.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.893 31.466 6.167 1.00 0.00 H new ATOM 20 N GLN A 2 32.826 32.241 3.648 1.00 0.00 N ATOM 21 CA GLN A 2 33.726 32.434 4.784 1.00 0.00 C ATOM 22 C GLN A 2 33.069 33.313 5.845 1.00 0.00 C ATOM 23 O GLN A 2 32.170 34.098 5.548 1.00 0.00 O ATOM 24 CB GLN A 2 35.016 33.102 4.302 1.00 0.00 C ATOM 25 CG GLN A 2 34.676 34.314 3.430 1.00 0.00 C ATOM 26 CD GLN A 2 35.955 35.031 3.012 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.719 35.486 3.864 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.238 35.162 1.744 1.00 0.00 N ATOM 0 H GLN A 2 32.603 33.096 3.138 1.00 0.00 H new ATOM 0 HA GLN A 2 33.950 31.462 5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.616 33.414 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.615 32.390 3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.124 33.993 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.029 34.998 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.605 34.785 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.092 35.641 1.459 1.00 0.00 H new ATOM 37 N ILE A 3 33.549 33.188 7.079 1.00 0.00 N ATOM 38 CA ILE A 3 33.033 33.992 8.184 1.00 0.00 C ATOM 39 C ILE A 3 34.084 34.122 9.270 1.00 0.00 C ATOM 40 O ILE A 3 35.127 33.476 9.220 1.00 0.00 O ATOM 41 CB ILE A 3 31.745 33.397 8.778 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.954 31.904 9.108 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.586 33.577 7.785 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.601 31.196 9.245 1.00 0.00 C ATOM 0 H ILE A 3 34.292 32.540 7.339 1.00 0.00 H new ATOM 0 HA ILE A 3 32.792 34.977 7.784 1.00 0.00 H new ATOM 0 HB ILE A 3 31.498 33.920 9.702 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.543 31.430 8.323 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.520 31.805 10.034 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.675 33.154 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.437 34.639 7.589 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.823 33.066 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.763 30.144 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.027 31.661 10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.050 31.280 8.308 1.00 0.00 H new ATOM 56 N PHE A 4 33.800 34.969 10.252 1.00 0.00 N ATOM 57 CA PHE A 4 34.724 35.198 11.361 1.00 0.00 C ATOM 58 C PHE A 4 34.138 34.673 12.664 1.00 0.00 C ATOM 59 O PHE A 4 32.946 34.838 12.931 1.00 0.00 O ATOM 60 CB PHE A 4 34.988 36.698 11.503 1.00 0.00 C ATOM 61 CG PHE A 4 35.519 37.252 10.202 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.630 37.731 9.231 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.899 37.294 9.969 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.121 38.255 8.029 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.390 37.815 8.767 1.00 0.00 C ATOM 66 CZ PHE A 4 36.502 38.297 7.797 1.00 0.00 C ATOM 0 H PHE A 4 32.937 35.510 10.305 1.00 0.00 H new ATOM 0 HA PHE A 4 35.654 34.670 11.152 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.068 37.213 11.779 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.706 36.876 12.304 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.565 37.696 9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.584 36.924 10.717 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.436 38.626 7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.454 37.846 8.587 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.882 38.701 6.870 1.00 0.00 H new ATOM 76 N VAL A 5 34.990 34.062 13.488 1.00 0.00 N ATOM 77 CA VAL A 5 34.562 33.535 14.782 1.00 0.00 C ATOM 78 C VAL A 5 35.266 34.299 15.890 1.00 0.00 C ATOM 79 O VAL A 5 36.491 34.433 15.896 1.00 0.00 O ATOM 80 CB VAL A 5 34.886 32.040 14.877 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.708 31.558 16.325 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.925 31.266 13.973 1.00 0.00 C ATOM 0 H VAL A 5 35.979 33.920 13.282 1.00 0.00 H new ATOM 0 HA VAL A 5 33.484 33.659 14.887 1.00 0.00 H new ATOM 0 HB VAL A 5 35.917 31.872 14.565 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.940 30.495 16.386 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.380 32.114 16.979 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.677 31.723 16.639 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.147 30.201 14.033 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.899 31.442 14.297 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.043 31.603 12.943 1.00 0.00 H new ATOM 92 N LYS A 6 34.470 34.817 16.811 1.00 0.00 N ATOM 93 CA LYS A 6 34.988 35.600 17.930 1.00 0.00 C ATOM 94 C LYS A 6 34.870 34.817 19.235 1.00 0.00 C ATOM 95 O LYS A 6 33.814 34.260 19.534 1.00 0.00 O ATOM 96 CB LYS A 6 34.179 36.894 18.035 1.00 0.00 C ATOM 97 CG LYS A 6 34.931 37.917 18.880 1.00 0.00 C ATOM 98 CD LYS A 6 34.047 39.150 19.073 1.00 0.00 C ATOM 99 CE LYS A 6 34.779 40.189 19.923 1.00 0.00 C ATOM 100 NZ LYS A 6 33.818 41.245 20.350 1.00 0.00 N ATOM 0 H LYS A 6 33.456 34.710 16.809 1.00 0.00 H new ATOM 0 HA LYS A 6 36.041 35.823 17.757 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.995 37.298 17.040 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.206 36.688 18.481 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.193 37.487 19.847 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.864 38.196 18.391 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.788 39.577 18.104 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.112 38.866 19.556 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.224 39.712 20.796 1.00 0.00 H new ATOM 0 HE3 LYS A 6 35.594 40.633 19.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.314 41.953 20.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.413 41.706 19.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.055 40.814 20.910 1.00 0.00 H new ATOM 114 N THR A 7 35.955 34.778 20.010 1.00 0.00 N ATOM 115 CA THR A 7 35.955 34.054 21.288 1.00 0.00 C ATOM 116 C THR A 7 35.968 35.038 22.453 1.00 0.00 C ATOM 117 O THR A 7 35.982 36.252 22.257 1.00 0.00 O ATOM 118 CB THR A 7 37.178 33.136 21.380 1.00 0.00 C ATOM 119 OG1 THR A 7 38.340 33.916 21.626 1.00 0.00 O ATOM 120 CG2 THR A 7 37.346 32.363 20.070 1.00 0.00 C ATOM 0 H THR A 7 36.838 35.234 19.781 1.00 0.00 H new ATOM 0 HA THR A 7 35.050 33.449 21.340 1.00 0.00 H new ATOM 0 HB THR A 7 37.036 32.429 22.197 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.851 33.519 22.362 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.217 31.712 20.141 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.456 31.760 19.886 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.484 33.066 19.248 1.00 0.00 H new ATOM 128 N LEU A 8 35.983 34.511 23.670 1.00 0.00 N ATOM 129 CA LEU A 8 36.007 35.364 24.850 1.00 0.00 C ATOM 130 C LEU A 8 37.358 36.068 24.989 1.00 0.00 C ATOM 131 O LEU A 8 37.447 37.148 25.574 1.00 0.00 O ATOM 132 CB LEU A 8 35.714 34.531 26.112 1.00 0.00 C ATOM 133 CG LEU A 8 35.580 35.452 27.335 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.353 36.359 27.176 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.428 34.604 28.607 1.00 0.00 C ATOM 0 H LEU A 8 35.979 33.510 23.865 1.00 0.00 H new ATOM 0 HA LEU A 8 35.235 36.125 24.736 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.796 33.960 25.975 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.516 33.811 26.276 1.00 0.00 H new ATOM 0 HG LEU A 8 36.475 36.069 27.414 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.265 37.008 28.047 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.465 36.968 26.279 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.456 35.746 27.089 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.333 35.260 29.472 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.537 33.981 28.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.305 33.969 28.728 1.00 0.00 H new ATOM 147 N THR A 9 38.413 35.450 24.462 1.00 0.00 N ATOM 148 CA THR A 9 39.747 36.042 24.555 1.00 0.00 C ATOM 149 C THR A 9 39.928 37.141 23.513 1.00 0.00 C ATOM 150 O THR A 9 41.033 37.655 23.333 1.00 0.00 O ATOM 151 CB THR A 9 40.821 34.967 24.359 1.00 0.00 C ATOM 152 OG1 THR A 9 40.514 34.194 23.208 1.00 0.00 O ATOM 153 CG2 THR A 9 40.870 34.059 25.587 1.00 0.00 C ATOM 0 H THR A 9 38.374 34.555 23.974 1.00 0.00 H new ATOM 0 HA THR A 9 39.852 36.480 25.548 1.00 0.00 H new ATOM 0 HB THR A 9 41.791 35.446 24.226 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.202 33.507 23.082 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.635 33.295 25.445 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.110 34.653 26.469 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.900 33.580 25.724 1.00 0.00 H new ATOM 161 N GLY A 10 38.841 37.516 22.841 1.00 0.00 N ATOM 162 CA GLY A 10 38.908 38.570 21.836 1.00 0.00 C ATOM 163 C GLY A 10 39.702 38.116 20.618 1.00 0.00 C ATOM 164 O GLY A 10 40.222 38.937 19.863 1.00 0.00 O ATOM 0 H GLY A 10 37.915 37.110 22.973 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.900 38.852 21.532 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.372 39.458 22.266 1.00 0.00 H new ATOM 168 N LYS A 11 39.777 36.803 20.420 1.00 0.00 N ATOM 169 CA LYS A 11 40.496 36.250 19.277 1.00 0.00 C ATOM 170 C LYS A 11 39.552 36.137 18.088 1.00 0.00 C ATOM 171 O LYS A 11 38.436 35.634 18.224 1.00 0.00 O ATOM 172 CB LYS A 11 41.049 34.862 19.619 1.00 0.00 C ATOM 173 CG LYS A 11 41.902 34.338 18.457 1.00 0.00 C ATOM 174 CD LYS A 11 42.430 32.941 18.802 1.00 0.00 C ATOM 175 CE LYS A 11 43.279 32.409 17.644 1.00 0.00 C ATOM 176 NZ LYS A 11 44.482 33.271 17.471 1.00 0.00 N ATOM 0 H LYS A 11 39.352 36.106 21.032 1.00 0.00 H new ATOM 0 HA LYS A 11 41.325 36.912 19.028 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.649 34.914 20.527 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.228 34.173 19.818 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.308 34.299 17.544 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.734 35.016 18.267 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.026 32.982 19.714 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.597 32.265 18.996 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.581 31.381 17.843 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.693 32.396 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.204 32.755 16.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.218 34.137 16.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 44.865 33.524 18.404 1.00 0.00 H new ATOM 190 N THR A 12 40.004 36.593 16.921 1.00 0.00 N ATOM 191 CA THR A 12 39.193 36.523 15.705 1.00 0.00 C ATOM 192 C THR A 12 39.876 35.622 14.690 1.00 0.00 C ATOM 193 O THR A 12 41.030 35.840 14.322 1.00 0.00 O ATOM 194 CB THR A 12 39.010 37.916 15.101 1.00 0.00 C ATOM 195 OG1 THR A 12 38.561 38.812 16.109 1.00 0.00 O ATOM 196 CG2 THR A 12 37.971 37.850 13.974 1.00 0.00 C ATOM 0 H THR A 12 40.924 37.014 16.791 1.00 0.00 H new ATOM 0 HA THR A 12 38.214 36.118 15.962 1.00 0.00 H new ATOM 0 HB THR A 12 39.960 38.268 14.699 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.445 39.706 15.724 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.839 38.842 13.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.315 37.161 13.202 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.020 37.500 14.376 1.00 0.00 H new ATOM 204 N ILE A 13 39.150 34.610 14.244 1.00 0.00 N ATOM 205 CA ILE A 13 39.679 33.665 13.262 1.00 0.00 C ATOM 206 C ILE A 13 38.669 33.442 12.154 1.00 0.00 C ATOM 207 O ILE A 13 37.462 33.404 12.395 1.00 0.00 O ATOM 208 CB ILE A 13 40.015 32.337 13.939 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.685 31.408 12.925 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.735 31.686 14.460 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.207 30.161 13.640 1.00 0.00 C ATOM 0 H ILE A 13 38.194 34.418 14.543 1.00 0.00 H new ATOM 0 HA ILE A 13 40.589 34.081 12.830 1.00 0.00 H new ATOM 0 HB ILE A 13 40.692 32.516 14.774 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.973 31.124 12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.506 31.926 12.429 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.979 30.739 14.942 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.258 32.349 15.182 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.054 31.505 13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.684 29.500 12.917 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.933 30.454 14.398 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.376 29.640 14.115 1.00 0.00 H new ATOM 223 N THR A 14 39.170 33.298 10.935 1.00 0.00 N ATOM 224 CA THR A 14 38.300 33.078 9.783 1.00 0.00 C ATOM 225 C THR A 14 38.222 31.594 9.451 1.00 0.00 C ATOM 226 O THR A 14 39.233 30.889 9.437 1.00 0.00 O ATOM 227 CB THR A 14 38.816 33.862 8.576 1.00 0.00 C ATOM 228 OG1 THR A 14 39.103 35.194 8.979 1.00 0.00 O ATOM 229 CG2 THR A 14 37.738 33.881 7.485 1.00 0.00 C ATOM 0 H THR A 14 40.166 33.329 10.717 1.00 0.00 H new ATOM 0 HA THR A 14 37.299 33.431 10.031 1.00 0.00 H new ATOM 0 HB THR A 14 39.719 33.391 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.291 35.739 8.911 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.103 34.439 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.507 32.859 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.837 34.358 7.872 1.00 0.00 H new ATOM 237 N LEU A 15 37.001 31.131 9.197 1.00 0.00 N ATOM 238 CA LEU A 15 36.745 29.726 8.877 1.00 0.00 C ATOM 239 C LEU A 15 36.047 29.616 7.519 1.00 0.00 C ATOM 240 O LEU A 15 35.245 30.474 7.148 1.00 0.00 O ATOM 241 CB LEU A 15 35.838 29.129 9.986 1.00 0.00 C ATOM 242 CG LEU A 15 36.583 28.068 10.811 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.713 28.721 11.620 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.589 27.402 11.768 1.00 0.00 C ATOM 0 H LEU A 15 36.164 31.714 9.207 1.00 0.00 H new ATOM 0 HA LEU A 15 37.686 29.178 8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.493 29.927 10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.952 28.684 9.533 1.00 0.00 H new ATOM 0 HG LEU A 15 37.017 27.326 10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.233 27.958 12.200 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.416 29.202 10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.293 29.467 12.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.105 26.646 12.360 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.163 28.154 12.432 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.791 26.931 11.194 1.00 0.00 H new ATOM 256 N GLU A 16 36.333 28.532 6.799 1.00 0.00 N ATOM 257 CA GLU A 16 35.705 28.286 5.497 1.00 0.00 C ATOM 258 C GLU A 16 34.669 27.184 5.659 1.00 0.00 C ATOM 259 O GLU A 16 34.991 26.081 6.098 1.00 0.00 O ATOM 260 CB GLU A 16 36.750 27.868 4.453 1.00 0.00 C ATOM 261 CG GLU A 16 37.784 28.982 4.279 1.00 0.00 C ATOM 262 CD GLU A 16 38.777 28.603 3.184 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.356 28.483 2.045 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.942 28.437 3.502 1.00 0.00 O ATOM 0 H GLU A 16 36.993 27.811 7.092 1.00 0.00 H new ATOM 0 HA GLU A 16 35.231 29.204 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.243 26.948 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.263 27.660 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.285 29.916 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.311 29.150 5.218 1.00 0.00 H new ATOM 271 N VAL A 17 33.418 27.488 5.322 1.00 0.00 N ATOM 272 CA VAL A 17 32.343 26.505 5.467 1.00 0.00 C ATOM 273 C VAL A 17 31.302 26.645 4.363 1.00 0.00 C ATOM 274 O VAL A 17 31.251 27.651 3.655 1.00 0.00 O ATOM 275 CB VAL A 17 31.681 26.645 6.854 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.738 27.002 7.903 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.619 27.749 6.833 1.00 0.00 C ATOM 0 H VAL A 17 33.124 28.392 4.952 1.00 0.00 H new ATOM 0 HA VAL A 17 32.782 25.511 5.379 1.00 0.00 H new ATOM 0 HB VAL A 17 31.211 25.694 7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.263 27.099 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.492 26.215 7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.213 27.946 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.163 27.834 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.085 28.697 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.852 27.502 6.098 1.00 0.00 H new ATOM 287 N GLU A 18 30.455 25.625 4.245 1.00 0.00 N ATOM 288 CA GLU A 18 29.384 25.617 3.255 1.00 0.00 C ATOM 289 C GLU A 18 28.084 26.053 3.931 1.00 0.00 C ATOM 290 O GLU A 18 27.914 25.850 5.134 1.00 0.00 O ATOM 291 CB GLU A 18 29.224 24.205 2.681 1.00 0.00 C ATOM 292 CG GLU A 18 30.383 23.901 1.732 1.00 0.00 C ATOM 293 CD GLU A 18 30.329 22.439 1.298 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.046 21.603 2.141 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.571 22.179 0.132 1.00 0.00 O ATOM 0 H GLU A 18 30.492 24.789 4.828 1.00 0.00 H new ATOM 0 HA GLU A 18 29.624 26.303 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.201 23.474 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.275 24.123 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.329 24.551 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.333 24.108 2.226 1.00 0.00 H new ATOM 302 N PRO A 19 27.172 26.648 3.208 1.00 0.00 N ATOM 303 CA PRO A 19 25.882 27.116 3.792 1.00 0.00 C ATOM 304 C PRO A 19 25.018 25.944 4.245 1.00 0.00 C ATOM 305 O PRO A 19 24.002 26.131 4.915 1.00 0.00 O ATOM 306 CB PRO A 19 25.221 27.896 2.642 1.00 0.00 C ATOM 307 CG PRO A 19 25.821 27.322 1.399 1.00 0.00 C ATOM 308 CD PRO A 19 27.252 26.937 1.764 1.00 0.00 C ATOM 0 HA PRO A 19 26.021 27.726 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.138 27.774 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.422 28.964 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.258 26.453 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 19 25.807 28.049 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.591 26.069 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 19 27.951 27.746 1.555 1.00 0.00 H new ATOM 316 N SER A 20 25.416 24.731 3.851 1.00 0.00 N ATOM 317 CA SER A 20 24.663 23.525 4.192 1.00 0.00 C ATOM 318 C SER A 20 25.407 22.674 5.217 1.00 0.00 C ATOM 319 O SER A 20 24.992 21.555 5.513 1.00 0.00 O ATOM 320 CB SER A 20 24.432 22.702 2.924 1.00 0.00 C ATOM 321 OG SER A 20 23.779 23.508 1.951 1.00 0.00 O ATOM 0 H SER A 20 26.255 24.560 3.296 1.00 0.00 H new ATOM 0 HA SER A 20 23.711 23.828 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.383 22.340 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 20 23.826 21.825 3.152 1.00 0.00 H new ATOM 0 HG SER A 20 23.632 22.983 1.137 1.00 0.00 H new ATOM 327 N ASP A 21 26.499 23.202 5.763 1.00 0.00 N ATOM 328 CA ASP A 21 27.267 22.468 6.757 1.00 0.00 C ATOM 329 C ASP A 21 26.423 22.231 8.002 1.00 0.00 C ATOM 330 O ASP A 21 25.580 23.056 8.357 1.00 0.00 O ATOM 331 CB ASP A 21 28.531 23.267 7.113 1.00 0.00 C ATOM 332 CG ASP A 21 29.631 23.027 6.077 1.00 0.00 C ATOM 333 OD1 ASP A 21 29.511 22.085 5.313 1.00 0.00 O ATOM 334 OD2 ASP A 21 30.585 23.779 6.075 1.00 0.00 O ATOM 0 H ASP A 21 26.867 24.126 5.535 1.00 0.00 H new ATOM 0 HA ASP A 21 27.557 21.500 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.294 24.330 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 21 28.885 22.975 8.102 1.00 0.00 H new ATOM 339 N THR A 22 26.651 21.098 8.663 1.00 0.00 N ATOM 340 CA THR A 22 25.901 20.765 9.871 1.00 0.00 C ATOM 341 C THR A 22 26.618 21.313 11.092 1.00 0.00 C ATOM 342 O THR A 22 27.843 21.431 11.097 1.00 0.00 O ATOM 343 CB THR A 22 25.758 19.247 10.006 1.00 0.00 C ATOM 344 OG1 THR A 22 27.036 18.639 9.890 1.00 0.00 O ATOM 345 CG2 THR A 22 24.834 18.714 8.907 1.00 0.00 C ATOM 0 H THR A 22 27.342 20.401 8.386 1.00 0.00 H new ATOM 0 HA THR A 22 24.910 21.212 9.799 1.00 0.00 H new ATOM 0 HB THR A 22 25.330 19.010 10.980 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.257 18.520 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 22 24.735 17.633 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 22 23.852 19.178 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.256 18.951 7.930 1.00 0.00 H new ATOM 353 N ILE A 23 25.859 21.647 12.123 1.00 0.00 N ATOM 354 CA ILE A 23 26.458 22.181 13.336 1.00 0.00 C ATOM 355 C ILE A 23 27.570 21.256 13.810 1.00 0.00 C ATOM 356 O ILE A 23 28.490 21.679 14.503 1.00 0.00 O ATOM 357 CB ILE A 23 25.397 22.321 14.432 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.147 23.007 13.866 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.957 23.155 15.584 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.536 24.279 13.106 1.00 0.00 C ATOM 0 H ILE A 23 24.843 21.560 12.146 1.00 0.00 H new ATOM 0 HA ILE A 23 26.875 23.165 13.121 1.00 0.00 H new ATOM 0 HB ILE A 23 25.128 21.329 14.796 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.619 22.324 13.200 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.462 23.255 14.676 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.201 23.254 16.363 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.839 22.663 15.994 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.231 24.144 15.217 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.639 24.755 12.710 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.043 24.967 13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.203 24.022 12.283 1.00 0.00 H new ATOM 372 N GLU A 24 27.490 19.996 13.405 1.00 0.00 N ATOM 373 CA GLU A 24 28.502 19.018 13.777 1.00 0.00 C ATOM 374 C GLU A 24 29.772 19.239 12.957 1.00 0.00 C ATOM 375 O GLU A 24 30.857 19.423 13.508 1.00 0.00 O ATOM 376 CB GLU A 24 27.963 17.604 13.548 1.00 0.00 C ATOM 377 CG GLU A 24 28.971 16.580 14.072 1.00 0.00 C ATOM 378 CD GLU A 24 28.427 15.167 13.887 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.221 15.030 13.762 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.224 14.244 13.874 1.00 0.00 O ATOM 0 H GLU A 24 26.738 19.629 12.822 1.00 0.00 H new ATOM 0 HA GLU A 24 28.744 19.138 14.833 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.007 17.481 14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.782 17.440 12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.918 16.686 13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.174 16.765 15.127 1.00 0.00 H new ATOM 387 N ASN A 25 29.626 19.223 11.634 1.00 0.00 N ATOM 388 CA ASN A 25 30.757 19.432 10.746 1.00 0.00 C ATOM 389 C ASN A 25 31.462 20.745 11.077 1.00 0.00 C ATOM 390 O ASN A 25 32.690 20.820 11.085 1.00 0.00 O ATOM 391 CB ASN A 25 30.262 19.469 9.300 1.00 0.00 C ATOM 392 CG ASN A 25 29.852 18.074 8.845 1.00 0.00 C ATOM 393 OD1 ASN A 25 28.883 17.939 7.982 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 30.430 17.080 9.287 1.00 0.00 N flip ATOM 0 H ASN A 25 28.737 19.068 11.159 1.00 0.00 H new ATOM 0 HA ASN A 25 31.465 18.613 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.415 20.150 9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.047 19.855 8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 25 31.187 17.188 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 25 30.151 16.149 8.978 1.00 0.00 H new ATOM 401 N VAL A 26 30.681 21.785 11.348 1.00 0.00 N ATOM 402 CA VAL A 26 31.256 23.084 11.671 1.00 0.00 C ATOM 403 C VAL A 26 32.037 23.011 12.982 1.00 0.00 C ATOM 404 O VAL A 26 33.108 23.607 13.111 1.00 0.00 O ATOM 405 CB VAL A 26 30.156 24.149 11.767 1.00 0.00 C ATOM 406 CG1 VAL A 26 30.788 25.500 12.097 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.425 24.252 10.424 1.00 0.00 C ATOM 0 H VAL A 26 29.661 21.755 11.351 1.00 0.00 H new ATOM 0 HA VAL A 26 31.942 23.364 10.872 1.00 0.00 H new ATOM 0 HB VAL A 26 29.449 23.871 12.549 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.009 26.259 12.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.314 25.433 13.049 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.493 25.774 11.312 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.643 25.009 10.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.134 24.532 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.977 23.289 10.179 1.00 0.00 H new ATOM 417 N LYS A 27 31.506 22.272 13.949 1.00 0.00 N ATOM 418 CA LYS A 27 32.179 22.130 15.232 1.00 0.00 C ATOM 419 C LYS A 27 33.503 21.421 15.016 1.00 0.00 C ATOM 420 O LYS A 27 34.514 21.746 15.639 1.00 0.00 O ATOM 421 CB LYS A 27 31.303 21.336 16.208 1.00 0.00 C ATOM 422 CG LYS A 27 30.241 22.258 16.818 1.00 0.00 C ATOM 423 CD LYS A 27 29.195 21.420 17.563 1.00 0.00 C ATOM 424 CE LYS A 27 28.406 22.317 18.522 1.00 0.00 C ATOM 425 NZ LYS A 27 29.233 22.603 19.728 1.00 0.00 N ATOM 0 H LYS A 27 30.623 21.768 13.870 1.00 0.00 H new ATOM 0 HA LYS A 27 32.358 23.116 15.662 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.823 20.507 15.689 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.920 20.904 16.996 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.709 22.965 17.503 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.761 22.844 16.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.518 20.948 16.851 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.684 20.619 18.117 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.134 23.248 18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.476 21.828 18.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.622 22.956 20.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.707 21.731 20.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.948 23.322 19.496 1.00 0.00 H new ATOM 439 N ALA A 28 33.480 20.452 14.116 1.00 0.00 N ATOM 440 CA ALA A 28 34.669 19.690 13.789 1.00 0.00 C ATOM 441 C ALA A 28 35.768 20.622 13.281 1.00 0.00 C ATOM 442 O ALA A 28 36.942 20.448 13.606 1.00 0.00 O ATOM 443 CB ALA A 28 34.317 18.660 12.716 1.00 0.00 C ATOM 0 H ALA A 28 32.646 20.175 13.598 1.00 0.00 H new ATOM 0 HA ALA A 28 35.034 19.181 14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.205 18.081 12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.543 17.991 13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.951 19.172 11.826 1.00 0.00 H new ATOM 449 N LYS A 29 35.370 21.627 12.502 1.00 0.00 N ATOM 450 CA LYS A 29 36.329 22.594 11.973 1.00 0.00 C ATOM 451 C LYS A 29 36.959 23.378 13.123 1.00 0.00 C ATOM 452 O LYS A 29 38.167 23.622 13.146 1.00 0.00 O ATOM 453 CB LYS A 29 35.638 23.580 11.018 1.00 0.00 C ATOM 454 CG LYS A 29 35.095 22.841 9.792 1.00 0.00 C ATOM 455 CD LYS A 29 34.419 23.843 8.847 1.00 0.00 C ATOM 456 CE LYS A 29 33.908 23.108 7.607 1.00 0.00 C ATOM 457 NZ LYS A 29 32.775 22.221 7.988 1.00 0.00 N ATOM 0 H LYS A 29 34.402 21.792 12.226 1.00 0.00 H new ATOM 0 HA LYS A 29 37.098 22.048 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.824 24.087 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.344 24.349 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.906 22.328 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.381 22.078 10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.592 24.338 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.126 24.620 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.584 23.826 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.711 22.520 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.041 21.229 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 32.550 22.358 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 31.941 22.456 7.412 1.00 0.00 H new ATOM 471 N ILE A 30 36.123 23.750 14.085 1.00 0.00 N ATOM 472 CA ILE A 30 36.585 24.491 15.241 1.00 0.00 C ATOM 473 C ILE A 30 37.537 23.638 16.073 1.00 0.00 C ATOM 474 O ILE A 30 38.612 24.093 16.461 1.00 0.00 O ATOM 475 CB ILE A 30 35.376 24.925 16.077 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.609 26.016 15.320 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.853 25.476 17.424 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.272 26.293 16.016 1.00 0.00 C ATOM 0 H ILE A 30 35.123 23.548 14.083 1.00 0.00 H new ATOM 0 HA ILE A 30 37.129 25.376 14.912 1.00 0.00 H new ATOM 0 HB ILE A 30 34.724 24.069 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.203 26.929 15.279 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.435 25.703 14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.992 25.784 18.017 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.404 24.702 17.959 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.504 26.334 17.256 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.733 27.069 15.473 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.675 25.381 16.034 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.456 26.626 17.037 1.00 0.00 H new ATOM 490 N GLN A 31 37.136 22.404 16.348 1.00 0.00 N ATOM 491 CA GLN A 31 37.971 21.504 17.138 1.00 0.00 C ATOM 492 C GLN A 31 39.317 21.286 16.455 1.00 0.00 C ATOM 493 O GLN A 31 40.364 21.318 17.097 1.00 0.00 O ATOM 494 CB GLN A 31 37.274 20.152 17.315 1.00 0.00 C ATOM 495 CG GLN A 31 38.040 19.314 18.344 1.00 0.00 C ATOM 496 CD GLN A 31 37.470 17.902 18.401 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.487 17.570 17.609 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 37.935 17.076 19.187 1.00 0.00 N flip ATOM 0 H GLN A 31 36.249 22.005 16.041 1.00 0.00 H new ATOM 0 HA GLN A 31 38.132 21.961 18.114 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.246 20.301 17.644 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.230 19.626 16.361 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.097 19.277 18.080 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.973 19.781 19.327 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.703 17.337 19.805 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.552 16.131 19.220 1.00 0.00 H new ATOM 507 N ASP A 32 39.277 21.039 15.156 1.00 0.00 N ATOM 508 CA ASP A 32 40.495 20.787 14.395 1.00 0.00 C ATOM 509 C ASP A 32 41.478 21.953 14.503 1.00 0.00 C ATOM 510 O ASP A 32 42.691 21.743 14.512 1.00 0.00 O ATOM 511 CB ASP A 32 40.148 20.540 12.926 1.00 0.00 C ATOM 512 CG ASP A 32 39.435 19.199 12.776 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.519 18.398 13.694 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.816 18.992 11.746 1.00 0.00 O ATOM 0 H ASP A 32 38.419 21.007 14.606 1.00 0.00 H new ATOM 0 HA ASP A 32 40.974 19.903 14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.512 21.343 12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.056 20.548 12.323 1.00 0.00 H new ATOM 519 N LYS A 33 40.963 23.181 14.554 1.00 0.00 N ATOM 520 CA LYS A 33 41.835 24.359 14.626 1.00 0.00 C ATOM 521 C LYS A 33 42.200 24.751 16.062 1.00 0.00 C ATOM 522 O LYS A 33 43.324 25.187 16.314 1.00 0.00 O ATOM 523 CB LYS A 33 41.153 25.547 13.940 1.00 0.00 C ATOM 524 CG LYS A 33 41.003 25.258 12.438 1.00 0.00 C ATOM 525 CD LYS A 33 42.257 25.730 11.695 1.00 0.00 C ATOM 526 CE LYS A 33 42.070 25.527 10.191 1.00 0.00 C ATOM 527 NZ LYS A 33 41.851 24.080 9.909 1.00 0.00 N ATOM 0 H LYS A 33 39.964 23.388 14.547 1.00 0.00 H new ATOM 0 HA LYS A 33 42.762 24.095 14.117 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.174 25.725 14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.741 26.453 14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.853 24.191 12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.123 25.767 12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 42.444 26.782 11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.128 25.174 12.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.220 26.110 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.948 25.885 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.026 23.892 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 42.503 23.511 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.870 23.825 10.143 1.00 0.00 H new ATOM 541 N GLU A 34 41.254 24.637 16.998 1.00 0.00 N ATOM 542 CA GLU A 34 41.514 25.037 18.393 1.00 0.00 C ATOM 543 C GLU A 34 41.707 23.837 19.320 1.00 0.00 C ATOM 544 O GLU A 34 42.132 23.998 20.463 1.00 0.00 O ATOM 545 CB GLU A 34 40.349 25.889 18.909 1.00 0.00 C ATOM 546 CG GLU A 34 40.002 26.968 17.878 1.00 0.00 C ATOM 547 CD GLU A 34 39.096 28.023 18.503 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.231 27.650 19.277 1.00 0.00 O ATOM 549 OE2 GLU A 34 39.278 29.189 18.195 1.00 0.00 O ATOM 0 H GLU A 34 40.315 24.278 16.825 1.00 0.00 H new ATOM 0 HA GLU A 34 42.441 25.610 18.397 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.480 25.259 19.096 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.617 26.352 19.858 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.915 27.435 17.509 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.506 26.515 17.020 1.00 0.00 H new ATOM 556 N GLY A 35 41.436 22.636 18.825 1.00 0.00 N ATOM 557 CA GLY A 35 41.618 21.428 19.631 1.00 0.00 C ATOM 558 C GLY A 35 40.752 21.432 20.894 1.00 0.00 C ATOM 559 O GLY A 35 41.008 20.668 21.825 1.00 0.00 O ATOM 0 H GLY A 35 41.093 22.469 17.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.373 20.553 19.029 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.667 21.338 19.913 1.00 0.00 H new ATOM 563 N ILE A 36 39.727 22.285 20.930 1.00 0.00 N ATOM 564 CA ILE A 36 38.840 22.359 22.088 1.00 0.00 C ATOM 565 C ILE A 36 37.649 21.399 21.916 1.00 0.00 C ATOM 566 O ILE A 36 36.823 21.602 21.023 1.00 0.00 O ATOM 567 CB ILE A 36 38.320 23.791 22.229 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.506 24.757 22.281 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.516 23.911 23.518 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.003 26.204 22.294 1.00 0.00 C ATOM 0 H ILE A 36 39.493 22.930 20.175 1.00 0.00 H new ATOM 0 HA ILE A 36 39.396 22.072 22.980 1.00 0.00 H new ATOM 0 HB ILE A 36 37.685 24.035 21.377 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.105 24.563 23.171 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.154 24.596 21.420 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.144 24.930 23.621 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.674 23.219 23.488 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.154 23.670 24.368 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.854 26.885 22.331 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.424 26.396 21.391 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.373 26.362 23.169 1.00 0.00 H new ATOM 582 N PRO A 37 37.529 20.360 22.728 1.00 0.00 N ATOM 583 CA PRO A 37 36.400 19.392 22.603 1.00 0.00 C ATOM 584 C PRO A 37 35.048 20.100 22.408 1.00 0.00 C ATOM 585 O PRO A 37 34.622 20.877 23.268 1.00 0.00 O ATOM 586 CB PRO A 37 36.438 18.625 23.933 1.00 0.00 C ATOM 587 CG PRO A 37 37.874 18.655 24.345 1.00 0.00 C ATOM 588 CD PRO A 37 38.436 19.989 23.834 1.00 0.00 C ATOM 0 HA PRO A 37 36.503 18.746 21.731 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.801 19.097 24.681 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.082 17.602 23.811 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.970 18.581 25.428 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.419 17.813 23.918 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.440 20.747 24.618 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.464 19.882 23.488 1.00 0.00 H new ATOM 596 N PRO A 38 34.363 19.845 21.317 1.00 0.00 N ATOM 597 CA PRO A 38 33.032 20.461 21.040 1.00 0.00 C ATOM 598 C PRO A 38 32.086 20.370 22.231 1.00 0.00 C ATOM 599 O PRO A 38 31.207 21.213 22.405 1.00 0.00 O ATOM 600 CB PRO A 38 32.508 19.649 19.852 1.00 0.00 C ATOM 601 CG PRO A 38 33.736 19.218 19.134 1.00 0.00 C ATOM 602 CD PRO A 38 34.774 18.951 20.217 1.00 0.00 C ATOM 0 HA PRO A 38 33.108 21.529 20.836 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.919 18.793 20.183 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.863 20.251 19.212 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.549 18.322 18.541 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.078 19.990 18.445 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.771 17.906 20.527 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.782 19.178 19.871 1.00 0.00 H new ATOM 610 N ASP A 39 32.269 19.342 23.050 1.00 0.00 N ATOM 611 CA ASP A 39 31.415 19.151 24.213 1.00 0.00 C ATOM 612 C ASP A 39 31.636 20.250 25.245 1.00 0.00 C ATOM 613 O ASP A 39 30.823 20.429 26.151 1.00 0.00 O ATOM 614 CB ASP A 39 31.698 17.788 24.851 1.00 0.00 C ATOM 615 CG ASP A 39 33.088 17.782 25.477 1.00 0.00 C ATOM 616 OD1 ASP A 39 33.195 18.153 26.634 1.00 0.00 O ATOM 617 OD2 ASP A 39 34.023 17.407 24.792 1.00 0.00 O ATOM 0 H ASP A 39 32.994 18.634 22.932 1.00 0.00 H new ATOM 0 HA ASP A 39 30.378 19.194 23.879 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.947 17.570 25.611 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.626 17.003 24.098 1.00 0.00 H new ATOM 622 N GLN A 40 32.744 20.979 25.112 1.00 0.00 N ATOM 623 CA GLN A 40 33.068 22.055 26.051 1.00 0.00 C ATOM 624 C GLN A 40 32.713 23.416 25.465 1.00 0.00 C ATOM 625 O GLN A 40 32.870 24.441 26.130 1.00 0.00 O ATOM 626 CB GLN A 40 34.566 22.028 26.367 1.00 0.00 C ATOM 627 CG GLN A 40 34.893 20.802 27.222 1.00 0.00 C ATOM 628 CD GLN A 40 36.344 20.860 27.684 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.206 20.196 27.109 1.00 0.00 O ATOM 630 NE2 GLN A 40 36.667 21.618 28.696 1.00 0.00 N ATOM 0 H GLN A 40 33.429 20.846 24.368 1.00 0.00 H new ATOM 0 HA GLN A 40 32.487 21.899 26.960 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.142 22.002 25.442 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.852 22.938 26.895 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.229 20.763 28.086 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.722 19.892 26.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.951 22.167 29.171 1.00 0.00 H new ATOM 0 HE22 GLN A 40 37.636 21.661 29.012 1.00 0.00 H new ATOM 639 N GLN A 41 32.263 23.429 24.207 1.00 0.00 N ATOM 640 CA GLN A 41 31.921 24.684 23.532 1.00 0.00 C ATOM 641 C GLN A 41 30.461 24.720 23.098 1.00 0.00 C ATOM 642 O GLN A 41 29.868 23.695 22.760 1.00 0.00 O ATOM 643 CB GLN A 41 32.803 24.854 22.293 1.00 0.00 C ATOM 644 CG GLN A 41 34.274 24.874 22.706 1.00 0.00 C ATOM 645 CD GLN A 41 35.156 24.883 21.463 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.023 25.843 21.295 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 35.048 23.994 20.618 1.00 0.00 N flip ATOM 0 H GLN A 41 32.128 22.592 23.640 1.00 0.00 H new ATOM 0 HA GLN A 41 32.088 25.493 24.243 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.623 24.039 21.592 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.548 25.780 21.777 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.479 25.754 23.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.502 24.002 23.319 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.370 23.244 20.751 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.637 24.008 19.785 1.00 0.00 H new ATOM 656 N ARG A 42 29.907 25.930 23.089 1.00 0.00 N ATOM 657 CA ARG A 42 28.525 26.162 22.669 1.00 0.00 C ATOM 658 C ARG A 42 28.519 27.294 21.648 1.00 0.00 C ATOM 659 O ARG A 42 29.203 28.301 21.834 1.00 0.00 O ATOM 660 CB ARG A 42 27.657 26.543 23.876 1.00 0.00 C ATOM 661 CG ARG A 42 27.435 25.309 24.783 1.00 0.00 C ATOM 662 CD ARG A 42 26.151 24.572 24.376 1.00 0.00 C ATOM 663 NE ARG A 42 25.904 24.733 22.945 1.00 0.00 N ATOM 664 CZ ARG A 42 25.171 23.852 22.269 1.00 0.00 C ATOM 665 NH1 ARG A 42 24.971 24.013 20.989 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.650 22.826 22.885 1.00 0.00 N ATOM 0 H ARG A 42 30.401 26.776 23.372 1.00 0.00 H new ATOM 0 HA ARG A 42 28.115 25.253 22.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.139 27.339 24.444 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.697 26.931 23.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.289 24.635 24.707 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.368 25.622 25.825 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.239 23.513 24.620 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.305 24.961 24.944 1.00 0.00 H new ATOM 0 HE ARG A 42 26.301 25.535 22.455 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.377 24.815 20.506 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.409 23.337 20.472 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.805 22.699 23.885 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.088 22.151 22.366 1.00 0.00 H new ATOM 680 N LEU A 43 27.764 27.133 20.559 1.00 0.00 N ATOM 681 CA LEU A 43 27.708 28.160 19.510 1.00 0.00 C ATOM 682 C LEU A 43 26.388 28.925 19.568 1.00 0.00 C ATOM 683 O LEU A 43 25.311 28.332 19.480 1.00 0.00 O ATOM 684 CB LEU A 43 27.850 27.496 18.135 1.00 0.00 C ATOM 685 CG LEU A 43 29.027 26.514 18.142 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.100 25.797 16.791 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.338 27.273 18.385 1.00 0.00 C ATOM 0 H LEU A 43 27.188 26.311 20.379 1.00 0.00 H new ATOM 0 HA LEU A 43 28.525 28.863 19.671 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.930 26.971 17.880 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.006 28.257 17.370 1.00 0.00 H new ATOM 0 HG LEU A 43 28.880 25.785 18.939 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.937 25.098 16.795 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.172 25.251 16.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.243 26.530 15.997 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.170 26.569 18.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.486 28.006 17.592 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.290 27.783 19.347 1.00 0.00 H new ATOM 699 N ILE A 44 26.476 30.252 19.726 1.00 0.00 N ATOM 700 CA ILE A 44 25.280 31.102 19.803 1.00 0.00 C ATOM 701 C ILE A 44 25.244 32.114 18.656 1.00 0.00 C ATOM 702 O ILE A 44 26.237 32.787 18.355 1.00 0.00 O ATOM 703 CB ILE A 44 25.257 31.849 21.142 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.069 30.830 22.276 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.105 32.856 21.155 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.358 30.019 22.485 1.00 0.00 C ATOM 0 H ILE A 44 27.358 30.759 19.803 1.00 0.00 H new ATOM 0 HA ILE A 44 24.404 30.458 19.723 1.00 0.00 H new ATOM 0 HB ILE A 44 26.195 32.386 21.280 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.803 31.347 23.198 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.244 30.159 22.038 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.094 33.384 22.109 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.239 33.573 20.345 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.160 32.330 21.020 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.209 29.301 23.292 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.606 29.487 21.567 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.174 30.693 22.745 1.00 0.00 H new ATOM 718 N PHE A 45 24.071 32.222 18.031 1.00 0.00 N ATOM 719 CA PHE A 45 23.846 33.150 16.922 1.00 0.00 C ATOM 720 C PHE A 45 22.423 33.688 17.016 1.00 0.00 C ATOM 721 O PHE A 45 21.498 32.938 17.324 1.00 0.00 O ATOM 722 CB PHE A 45 24.020 32.425 15.584 1.00 0.00 C ATOM 723 CG PHE A 45 23.847 33.401 14.439 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.950 34.118 13.956 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.587 33.579 13.851 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.793 35.015 12.893 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.431 34.479 12.788 1.00 0.00 C ATOM 728 CZ PHE A 45 23.533 35.193 12.307 1.00 0.00 C ATOM 0 H PHE A 45 23.251 31.669 18.279 1.00 0.00 H new ATOM 0 HA PHE A 45 24.566 33.966 16.980 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.008 31.966 15.535 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.290 31.620 15.500 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.922 33.978 14.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.737 33.023 14.217 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.643 35.570 12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.459 34.621 12.340 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.413 35.882 11.484 1.00 0.00 H new ATOM 738 N ALA A 46 22.234 34.979 16.769 1.00 0.00 N ATOM 739 CA ALA A 46 20.897 35.551 16.858 1.00 0.00 C ATOM 740 C ALA A 46 20.267 35.149 18.190 1.00 0.00 C ATOM 741 O ALA A 46 19.068 34.879 18.280 1.00 0.00 O ATOM 742 CB ALA A 46 20.033 35.058 15.694 1.00 0.00 C ATOM 0 H ALA A 46 22.971 35.636 16.511 1.00 0.00 H new ATOM 0 HA ALA A 46 20.963 36.638 16.802 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.036 35.492 15.771 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.488 35.359 14.750 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.959 33.971 15.731 1.00 0.00 H new ATOM 748 N GLY A 47 21.109 35.129 19.218 1.00 0.00 N ATOM 749 CA GLY A 47 20.690 34.790 20.573 1.00 0.00 C ATOM 750 C GLY A 47 20.172 33.354 20.710 1.00 0.00 C ATOM 751 O GLY A 47 19.643 32.996 21.761 1.00 0.00 O ATOM 0 H GLY A 47 22.102 35.348 19.135 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.532 34.931 21.251 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.908 35.482 20.887 1.00 0.00 H new ATOM 755 N LYS A 48 20.320 32.530 19.665 1.00 0.00 N ATOM 756 CA LYS A 48 19.845 31.131 19.726 1.00 0.00 C ATOM 757 C LYS A 48 20.991 30.135 19.589 1.00 0.00 C ATOM 758 O LYS A 48 21.916 30.332 18.799 1.00 0.00 O ATOM 759 CB LYS A 48 18.833 30.861 18.612 1.00 0.00 C ATOM 760 CG LYS A 48 18.172 29.498 18.826 1.00 0.00 C ATOM 761 CD LYS A 48 16.976 29.380 17.880 1.00 0.00 C ATOM 762 CE LYS A 48 16.243 28.061 18.126 1.00 0.00 C ATOM 763 NZ LYS A 48 15.015 28.014 17.281 1.00 0.00 N ATOM 0 H LYS A 48 20.755 32.795 18.781 1.00 0.00 H new ATOM 0 HA LYS A 48 19.378 30.999 20.702 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.075 31.644 18.600 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.331 30.885 17.643 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.886 28.697 18.634 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.847 29.394 19.861 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.296 30.218 18.034 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.314 29.430 16.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.894 27.220 17.888 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.977 27.970 19.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.514 27.118 17.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.392 28.809 17.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.281 28.082 16.278 1.00 0.00 H new ATOM 777 N GLN A 49 20.899 29.047 20.352 1.00 0.00 N ATOM 778 CA GLN A 49 21.900 27.995 20.317 1.00 0.00 C ATOM 779 C GLN A 49 21.640 27.068 19.132 1.00 0.00 C ATOM 780 O GLN A 49 20.502 26.661 18.894 1.00 0.00 O ATOM 781 CB GLN A 49 21.848 27.192 21.617 1.00 0.00 C ATOM 782 CG GLN A 49 22.427 28.021 22.765 1.00 0.00 C ATOM 783 CD GLN A 49 22.035 27.406 24.106 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.654 26.440 24.552 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.037 27.911 24.778 1.00 0.00 N ATOM 0 H GLN A 49 20.134 28.875 21.004 1.00 0.00 H new ATOM 0 HA GLN A 49 22.887 28.446 20.209 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.818 26.913 21.841 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.412 26.266 21.505 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.513 28.066 22.680 1.00 0.00 H new ATOM 0 HG3 GLN A 49 22.060 29.046 22.705 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.525 28.711 24.407 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.769 27.505 25.675 1.00 0.00 H new ATOM 794 N LEU A 50 22.688 26.748 18.383 1.00 0.00 N ATOM 795 CA LEU A 50 22.540 25.877 17.218 1.00 0.00 C ATOM 796 C LEU A 50 22.374 24.418 17.640 1.00 0.00 C ATOM 797 O LEU A 50 23.173 23.886 18.412 1.00 0.00 O ATOM 798 CB LEU A 50 23.756 26.023 16.300 1.00 0.00 C ATOM 799 CG LEU A 50 24.076 27.510 16.109 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.204 27.664 15.085 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.828 28.248 15.607 1.00 0.00 C ATOM 0 H LEU A 50 23.639 27.072 18.556 1.00 0.00 H new ATOM 0 HA LEU A 50 21.642 26.178 16.678 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.614 25.508 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.555 25.556 15.336 1.00 0.00 H new ATOM 0 HG LEU A 50 24.388 27.935 17.063 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.431 28.722 14.950 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.093 27.145 15.442 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.892 27.235 14.133 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.060 29.305 15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.512 27.822 14.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.025 28.143 16.336 1.00 0.00 H new ATOM 813 N GLU A 51 21.314 23.784 17.136 1.00 0.00 N ATOM 814 CA GLU A 51 21.018 22.390 17.468 1.00 0.00 C ATOM 815 C GLU A 51 21.779 21.424 16.565 1.00 0.00 C ATOM 816 O GLU A 51 21.919 21.639 15.357 1.00 0.00 O ATOM 817 CB GLU A 51 19.510 22.130 17.329 1.00 0.00 C ATOM 818 CG GLU A 51 18.787 22.602 18.592 1.00 0.00 C ATOM 819 CD GLU A 51 17.283 22.388 18.445 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.900 21.456 17.758 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.536 23.161 19.023 1.00 0.00 O ATOM 0 H GLU A 51 20.646 24.214 16.496 1.00 0.00 H new ATOM 0 HA GLU A 51 21.335 22.220 18.497 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.120 22.655 16.457 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.328 21.067 17.169 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.157 22.054 19.459 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.997 23.657 18.768 1.00 0.00 H new ATOM 828 N ASP A 52 22.246 20.341 17.169 1.00 0.00 N ATOM 829 CA ASP A 52 22.976 19.324 16.439 1.00 0.00 C ATOM 830 C ASP A 52 22.069 18.638 15.420 1.00 0.00 C ATOM 831 O ASP A 52 20.924 18.300 15.721 1.00 0.00 O ATOM 832 CB ASP A 52 23.531 18.283 17.414 1.00 0.00 C ATOM 833 CG ASP A 52 24.464 18.956 18.416 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.174 19.864 18.017 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.455 18.552 19.567 1.00 0.00 O ATOM 0 H ASP A 52 22.130 20.147 18.164 1.00 0.00 H new ATOM 0 HA ASP A 52 23.799 19.803 15.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.712 17.791 17.940 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.069 17.509 16.866 1.00 0.00 H new ATOM 840 N GLY A 53 22.593 18.425 14.213 1.00 0.00 N ATOM 841 CA GLY A 53 21.826 17.768 13.151 1.00 0.00 C ATOM 842 C GLY A 53 21.186 18.782 12.204 1.00 0.00 C ATOM 843 O GLY A 53 20.664 18.409 11.153 1.00 0.00 O ATOM 0 H GLY A 53 23.539 18.695 13.946 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.482 17.106 12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.050 17.145 13.595 1.00 0.00 H new ATOM 847 N ARG A 54 21.235 20.072 12.558 1.00 0.00 N ATOM 848 CA ARG A 54 20.657 21.109 11.697 1.00 0.00 C ATOM 849 C ARG A 54 21.723 21.703 10.775 1.00 0.00 C ATOM 850 O ARG A 54 22.916 21.660 11.078 1.00 0.00 O ATOM 851 CB ARG A 54 20.048 22.225 12.551 1.00 0.00 C ATOM 852 CG ARG A 54 19.210 21.613 13.674 1.00 0.00 C ATOM 853 CD ARG A 54 18.174 20.659 13.076 1.00 0.00 C ATOM 854 NE ARG A 54 17.630 21.212 11.841 1.00 0.00 N ATOM 855 CZ ARG A 54 16.995 20.439 10.967 1.00 0.00 C ATOM 856 NH1 ARG A 54 16.549 20.946 9.850 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.808 19.175 11.231 1.00 0.00 N ATOM 0 H ARG A 54 21.661 20.418 13.418 1.00 0.00 H new ATOM 0 HA ARG A 54 19.878 20.649 11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.838 22.847 12.971 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.427 22.873 11.932 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.854 21.077 14.372 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.711 22.400 14.240 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.633 19.691 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.370 20.490 13.792 1.00 0.00 H new ATOM 0 HE ARG A 54 17.739 22.207 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.688 21.936 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.061 20.352 9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.149 18.781 12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.321 18.581 10.561 1.00 0.00 H new ATOM 871 N THR A 55 21.283 22.268 9.650 1.00 0.00 N ATOM 872 CA THR A 55 22.198 22.884 8.683 1.00 0.00 C ATOM 873 C THR A 55 22.201 24.398 8.872 1.00 0.00 C ATOM 874 O THR A 55 21.267 24.951 9.449 1.00 0.00 O ATOM 875 CB THR A 55 21.750 22.551 7.257 1.00 0.00 C ATOM 876 OG1 THR A 55 20.347 22.749 7.147 1.00 0.00 O ATOM 877 CG2 THR A 55 22.088 21.093 6.936 1.00 0.00 C ATOM 0 H THR A 55 20.299 22.313 9.384 1.00 0.00 H new ATOM 0 HA THR A 55 23.203 22.494 8.846 1.00 0.00 H new ATOM 0 HB THR A 55 22.268 23.202 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.169 23.497 6.539 1.00 0.00 H new ATOM 0 HG21 THR A 55 21.768 20.860 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.164 20.942 7.021 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.573 20.437 7.638 1.00 0.00 H new ATOM 885 N LEU A 56 23.238 25.073 8.386 1.00 0.00 N ATOM 886 CA LEU A 56 23.297 26.525 8.530 1.00 0.00 C ATOM 887 C LEU A 56 22.081 27.165 7.855 1.00 0.00 C ATOM 888 O LEU A 56 21.516 28.122 8.383 1.00 0.00 O ATOM 889 CB LEU A 56 24.615 27.088 7.938 1.00 0.00 C ATOM 890 CG LEU A 56 25.681 27.256 9.041 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.090 25.881 9.582 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.912 27.968 8.461 1.00 0.00 C ATOM 0 H LEU A 56 24.031 24.652 7.901 1.00 0.00 H new ATOM 0 HA LEU A 56 23.279 26.771 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.988 26.417 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.424 28.049 7.461 1.00 0.00 H new ATOM 0 HG LEU A 56 25.266 27.852 9.854 1.00 0.00 H new ATOM 0 HD11 LEU A 56 26.843 26.005 10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.217 25.379 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.502 25.279 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.665 28.086 9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.325 27.375 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.621 28.949 8.085 1.00 0.00 H new ATOM 904 N SER A 57 21.685 26.653 6.686 1.00 0.00 N ATOM 905 CA SER A 57 20.543 27.217 5.971 1.00 0.00 C ATOM 906 C SER A 57 19.370 27.416 6.919 1.00 0.00 C ATOM 907 O SER A 57 18.640 28.402 6.818 1.00 0.00 O ATOM 908 CB SER A 57 20.114 26.290 4.830 1.00 0.00 C ATOM 909 OG SER A 57 19.772 25.017 5.362 1.00 0.00 O ATOM 0 H SER A 57 22.132 25.862 6.223 1.00 0.00 H new ATOM 0 HA SER A 57 20.844 28.180 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.262 26.716 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.922 26.189 4.105 1.00 0.00 H new ATOM 0 HG SER A 57 19.495 24.422 4.634 1.00 0.00 H new ATOM 915 N ASP A 58 19.203 26.483 7.850 1.00 0.00 N ATOM 916 CA ASP A 58 18.117 26.579 8.814 1.00 0.00 C ATOM 917 C ASP A 58 18.181 27.935 9.500 1.00 0.00 C ATOM 918 O ASP A 58 17.163 28.595 9.704 1.00 0.00 O ATOM 919 CB ASP A 58 18.242 25.462 9.856 1.00 0.00 C ATOM 920 CG ASP A 58 18.122 24.095 9.183 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.535 24.030 8.116 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.620 23.134 9.747 1.00 0.00 O ATOM 0 H ASP A 58 19.799 25.662 7.956 1.00 0.00 H new ATOM 0 HA ASP A 58 17.162 26.473 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.200 25.540 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.465 25.572 10.613 1.00 0.00 H new ATOM 927 N TYR A 59 19.404 28.343 9.833 1.00 0.00 N ATOM 928 CA TYR A 59 19.656 29.630 10.481 1.00 0.00 C ATOM 929 C TYR A 59 20.259 30.604 9.467 1.00 0.00 C ATOM 930 O TYR A 59 21.430 30.481 9.143 1.00 0.00 O ATOM 931 CB TYR A 59 20.657 29.425 11.620 1.00 0.00 C ATOM 932 CG TYR A 59 20.148 28.363 12.566 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.766 27.104 12.615 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.059 28.638 13.399 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.293 26.125 13.499 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.585 27.660 14.280 1.00 0.00 C ATOM 937 CZ TYR A 59 19.202 26.404 14.330 1.00 0.00 C ATOM 938 OH TYR A 59 18.735 25.441 15.202 1.00 0.00 O ATOM 0 H TYR A 59 20.246 27.793 9.662 1.00 0.00 H new ATOM 0 HA TYR A 59 18.720 30.033 10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.626 29.131 11.216 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.807 30.362 12.157 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.606 26.890 11.971 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.583 29.607 13.362 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.770 25.157 13.539 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.743 27.874 14.922 1.00 0.00 H new ATOM 0 HH TYR A 59 17.974 25.798 15.706 1.00 0.00 H new ATOM 948 N ASN A 60 19.436 31.516 8.930 1.00 0.00 N ATOM 949 CA ASN A 60 19.883 32.471 7.893 1.00 0.00 C ATOM 950 C ASN A 60 21.210 33.182 8.225 1.00 0.00 C ATOM 951 O ASN A 60 21.244 34.397 8.416 1.00 0.00 O ATOM 952 CB ASN A 60 18.796 33.525 7.644 1.00 0.00 C ATOM 953 CG ASN A 60 19.167 34.394 6.443 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.710 33.894 5.457 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.900 35.673 6.462 1.00 0.00 N ATOM 0 H ASN A 60 18.456 31.616 9.194 1.00 0.00 H new ATOM 0 HA ASN A 60 20.061 31.875 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.839 33.035 7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.675 34.149 8.530 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.141 36.256 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.450 36.088 7.278 1.00 0.00 H new ATOM 962 N ILE A 61 22.291 32.405 8.266 1.00 0.00 N ATOM 963 CA ILE A 61 23.633 32.923 8.533 1.00 0.00 C ATOM 964 C ILE A 61 24.362 33.107 7.202 1.00 0.00 C ATOM 965 O ILE A 61 24.793 32.131 6.596 1.00 0.00 O ATOM 966 CB ILE A 61 24.413 31.915 9.387 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.779 31.796 10.774 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.869 32.369 9.529 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.382 30.588 11.497 1.00 0.00 C ATOM 0 H ILE A 61 22.262 31.397 8.115 1.00 0.00 H new ATOM 0 HA ILE A 61 23.560 33.873 9.063 1.00 0.00 H new ATOM 0 HB ILE A 61 24.382 30.943 8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.957 32.705 11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.699 31.681 10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.417 31.649 10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.327 32.435 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.900 33.347 10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.935 30.496 12.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.182 29.683 10.923 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.459 30.724 11.596 1.00 0.00 H new ATOM 981 N GLN A 62 24.475 34.347 6.727 1.00 0.00 N ATOM 982 CA GLN A 62 25.131 34.594 5.437 1.00 0.00 C ATOM 983 C GLN A 62 26.634 34.792 5.580 1.00 0.00 C ATOM 984 O GLN A 62 27.175 34.807 6.685 1.00 0.00 O ATOM 985 CB GLN A 62 24.522 35.815 4.752 1.00 0.00 C ATOM 986 CG GLN A 62 23.092 35.495 4.317 1.00 0.00 C ATOM 987 CD GLN A 62 22.498 36.685 3.573 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.935 37.011 2.471 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.522 37.360 4.118 1.00 0.00 N ATOM 0 H GLN A 62 24.130 35.182 7.201 1.00 0.00 H new ATOM 0 HA GLN A 62 24.966 33.706 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.524 36.666 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.122 36.097 3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.086 34.614 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.482 35.258 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.162 37.087 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.120 38.160 3.629 1.00 0.00 H new ATOM 998 N LYS A 63 27.295 34.926 4.434 1.00 0.00 N ATOM 999 CA LYS A 63 28.742 35.097 4.404 1.00 0.00 C ATOM 1000 C LYS A 63 29.185 36.348 5.156 1.00 0.00 C ATOM 1001 O LYS A 63 28.486 37.361 5.190 1.00 0.00 O ATOM 1002 CB LYS A 63 29.253 35.137 2.954 1.00 0.00 C ATOM 1003 CG LYS A 63 28.968 36.493 2.296 1.00 0.00 C ATOM 1004 CD LYS A 63 29.313 36.390 0.804 1.00 0.00 C ATOM 1005 CE LYS A 63 29.289 37.779 0.159 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.694 37.669 -1.272 1.00 0.00 N ATOM 0 H LYS A 63 26.851 34.919 3.516 1.00 0.00 H new ATOM 0 HA LYS A 63 29.179 34.237 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.325 34.942 2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.777 34.344 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.920 36.764 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.561 37.276 2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.299 35.941 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.600 35.736 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.290 38.209 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.965 38.450 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.678 38.612 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.655 37.276 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.032 37.043 -1.773 1.00 0.00 H new ATOM 1020 N GLU A 64 30.372 36.248 5.748 1.00 0.00 N ATOM 1021 CA GLU A 64 30.969 37.345 6.501 1.00 0.00 C ATOM 1022 C GLU A 64 30.073 37.807 7.650 1.00 0.00 C ATOM 1023 O GLU A 64 29.560 38.926 7.640 1.00 0.00 O ATOM 1024 CB GLU A 64 31.277 38.510 5.563 1.00 0.00 C ATOM 1025 CG GLU A 64 32.299 38.045 4.523 1.00 0.00 C ATOM 1026 CD GLU A 64 32.745 39.217 3.655 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.156 40.277 3.777 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.671 39.035 2.882 1.00 0.00 O ATOM 0 H GLU A 64 30.946 35.405 5.719 1.00 0.00 H new ATOM 0 HA GLU A 64 31.896 36.980 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.366 38.851 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.670 39.356 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.162 37.605 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.862 37.266 3.898 1.00 0.00 H new ATOM 1049 N THR A 66 29.615 37.474 12.243 1.00 0.00 N ATOM 1050 CA THR A 66 30.358 37.165 13.471 1.00 0.00 C ATOM 1051 C THR A 66 29.574 36.190 14.346 1.00 0.00 C ATOM 1052 O THR A 66 28.445 36.468 14.753 1.00 0.00 O ATOM 1053 CB THR A 66 30.635 38.450 14.255 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.423 39.322 13.457 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.390 38.107 15.540 1.00 0.00 C ATOM 0 HA THR A 66 31.304 36.701 13.190 1.00 0.00 H new ATOM 0 HB THR A 66 29.694 38.938 14.509 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.253 39.141 12.509 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.589 39.021 16.100 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.787 37.433 16.148 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.334 37.623 15.289 1.00 0.00 H new ATOM 1063 N LEU A 67 30.195 35.046 14.642 1.00 0.00 N ATOM 1064 CA LEU A 67 29.568 34.018 15.477 1.00 0.00 C ATOM 1065 C LEU A 67 30.090 34.129 16.907 1.00 0.00 C ATOM 1066 O LEU A 67 31.247 34.490 17.118 1.00 0.00 O ATOM 1067 CB LEU A 67 29.897 32.625 14.912 1.00 0.00 C ATOM 1068 CG LEU A 67 29.146 31.539 15.700 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.622 31.705 15.519 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.588 30.152 15.202 1.00 0.00 C ATOM 0 H LEU A 67 31.132 34.808 14.316 1.00 0.00 H new ATOM 0 HA LEU A 67 28.488 34.162 15.477 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.620 32.577 13.859 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.971 32.447 14.967 1.00 0.00 H new ATOM 0 HG LEU A 67 29.381 31.636 16.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.102 30.930 16.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.317 32.685 15.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.369 31.617 14.462 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.057 29.379 15.759 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.359 30.057 14.141 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.661 30.036 15.353 1.00 0.00 H new ATOM 1082 N HIS A 68 29.244 33.819 17.896 1.00 0.00 N ATOM 1083 CA HIS A 68 29.666 33.895 19.293 1.00 0.00 C ATOM 1084 C HIS A 68 30.092 32.513 19.793 1.00 0.00 C ATOM 1085 O HIS A 68 29.295 31.572 19.786 1.00 0.00 O ATOM 1086 CB HIS A 68 28.516 34.419 20.157 1.00 0.00 C ATOM 1087 CG HIS A 68 28.104 35.784 19.672 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.898 36.907 19.855 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.984 36.224 19.009 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.250 37.955 19.313 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.078 37.594 18.784 1.00 0.00 N ATOM 0 H HIS A 68 28.279 33.518 17.756 1.00 0.00 H new ATOM 0 HA HIS A 68 30.513 34.577 19.365 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.670 33.734 20.109 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.826 34.471 21.201 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.155 35.600 18.708 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.632 38.965 19.307 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.398 38.193 18.316 1.00 0.00 H new ATOM 1100 N LEU A 69 31.349 32.386 20.239 1.00 0.00 N ATOM 1101 CA LEU A 69 31.861 31.131 20.747 1.00 0.00 C ATOM 1102 C LEU A 69 31.997 31.235 22.252 1.00 0.00 C ATOM 1103 O LEU A 69 32.878 31.923 22.771 1.00 0.00 O ATOM 1104 CB LEU A 69 33.222 30.831 20.110 1.00 0.00 C ATOM 1105 CG LEU A 69 33.555 29.326 20.237 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.897 29.040 19.558 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.637 28.925 21.719 1.00 0.00 C ATOM 0 H LEU A 69 32.025 33.150 20.253 1.00 0.00 H new ATOM 0 HA LEU A 69 31.177 30.320 20.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.211 31.120 19.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.997 31.424 20.596 1.00 0.00 H new ATOM 0 HG LEU A 69 32.768 28.747 19.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.131 27.979 19.648 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.836 29.310 18.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.680 29.627 20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.872 27.863 21.796 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.417 29.506 22.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.680 29.121 22.202 1.00 0.00 H new ATOM 1119 N VAL A 70 31.113 30.542 22.938 1.00 0.00 N ATOM 1120 CA VAL A 70 31.103 30.519 24.396 1.00 0.00 C ATOM 1121 C VAL A 70 31.618 29.173 24.889 1.00 0.00 C ATOM 1122 O VAL A 70 31.306 28.129 24.315 1.00 0.00 O ATOM 1123 CB VAL A 70 29.680 30.752 24.904 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.664 30.711 26.431 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.194 32.123 24.426 1.00 0.00 C ATOM 0 H VAL A 70 30.380 29.978 22.507 1.00 0.00 H new ATOM 0 HA VAL A 70 31.750 31.309 24.776 1.00 0.00 H new ATOM 0 HB VAL A 70 29.024 29.972 24.517 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.648 30.878 26.789 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.014 29.737 26.773 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.319 31.489 26.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.179 32.295 24.785 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.853 32.899 24.815 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.203 32.153 23.336 1.00 0.00 H new