USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.657 K(o=1.5,f=-0.38) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.872 K(o=1.5,f=-0.32) USER MOD Set 2.1: A 55 THR OG1 : rot -72:sc= 2.18 USER MOD Set 2.2: A 57 SER OG : rot -41:sc= 1.06 USER MOD Set 3.1: A 7 THR OG1 : rot -63:sc= 0.692 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.19 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0.988 (180deg=0.988) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 25 ASN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.51 (180deg=1.42) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 2 (180deg=1.51) USER MOD Single : A 31 GLN : amide:sc= -0.0491 K(o=-0.049,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 2.46 (180deg=2.4) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= 0.877 K(o=0.88,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.5) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.638 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 63:sc= 0.46 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.828 52.109 19.941 1.00 0.00 N ATOM 2 CA MET A 1 33.189 52.433 21.329 1.00 0.00 C ATOM 3 C MET A 1 34.683 52.745 21.436 1.00 0.00 C ATOM 4 O MET A 1 35.472 52.220 20.653 1.00 0.00 O ATOM 5 CB MET A 1 32.769 51.347 22.315 1.00 0.00 C ATOM 6 CG MET A 1 33.514 50.022 22.180 1.00 0.00 C ATOM 7 SD MET A 1 33.069 48.803 23.442 1.00 0.00 S ATOM 8 CE MET A 1 34.278 47.507 23.074 1.00 0.00 C ATOM 0 H1 MET A 1 31.814 51.883 19.890 1.00 0.00 H new ATOM 0 H2 MET A 1 33.033 52.925 19.330 1.00 0.00 H new ATOM 0 H3 MET A 1 33.382 51.289 19.621 1.00 0.00 H new ATOM 0 HA MET A 1 32.630 53.326 21.608 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.911 51.724 23.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.702 51.160 22.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.313 49.601 21.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.586 50.211 22.233 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.142 46.675 23.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.136 47.156 22.052 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.286 47.908 23.183 1.00 0.00 H new ATOM 20 N GLN A 2 35.083 53.533 22.430 1.00 0.00 N ATOM 21 CA GLN A 2 36.473 53.763 22.770 1.00 0.00 C ATOM 22 C GLN A 2 36.969 52.783 23.836 1.00 0.00 C ATOM 23 O GLN A 2 36.294 52.563 24.838 1.00 0.00 O ATOM 24 CB GLN A 2 36.696 55.204 23.224 1.00 0.00 C ATOM 25 CG GLN A 2 36.709 56.189 22.059 1.00 0.00 C ATOM 26 CD GLN A 2 36.935 57.634 22.511 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.549 58.058 23.598 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.551 58.476 21.687 1.00 0.00 N ATOM 0 H GLN A 2 34.431 54.038 23.031 1.00 0.00 H new ATOM 0 HA GLN A 2 37.056 53.591 21.865 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.911 55.486 23.925 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.642 55.270 23.762 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.493 55.905 21.357 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.762 56.124 21.523 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.882 58.150 20.779 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.693 59.448 21.963 1.00 0.00 H new ATOM 37 N ILE A 3 38.176 52.260 23.644 1.00 0.00 N ATOM 38 CA ILE A 3 38.948 51.560 24.652 1.00 0.00 C ATOM 39 C ILE A 3 40.352 52.161 24.739 1.00 0.00 C ATOM 40 O ILE A 3 40.842 52.764 23.787 1.00 0.00 O ATOM 41 CB ILE A 3 38.978 50.049 24.444 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.690 49.636 23.160 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.566 49.474 24.529 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.950 48.136 23.039 1.00 0.00 C ATOM 0 H ILE A 3 38.657 52.317 22.746 1.00 0.00 H new ATOM 0 HA ILE A 3 38.447 51.702 25.610 1.00 0.00 H new ATOM 0 HB ILE A 3 39.572 49.622 25.252 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.093 49.959 22.307 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.642 50.164 23.101 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.603 48.395 24.379 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.144 49.689 25.511 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.942 49.927 23.758 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.459 47.930 22.098 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.575 47.807 23.869 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.002 47.599 23.064 1.00 0.00 H new ATOM 56 N PHE A 4 41.019 51.969 25.874 1.00 0.00 N ATOM 57 CA PHE A 4 42.356 52.472 26.116 1.00 0.00 C ATOM 58 C PHE A 4 43.398 51.351 26.080 1.00 0.00 C ATOM 59 O PHE A 4 43.119 50.214 26.456 1.00 0.00 O ATOM 60 CB PHE A 4 42.396 53.221 27.445 1.00 0.00 C ATOM 61 CG PHE A 4 41.332 54.283 27.596 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.253 55.339 26.681 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.403 54.204 28.640 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.245 56.303 26.805 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.407 55.178 28.783 1.00 0.00 C ATOM 66 CZ PHE A 4 39.325 56.225 27.857 1.00 0.00 C ATOM 0 H PHE A 4 40.633 51.449 26.662 1.00 0.00 H new ATOM 0 HA PHE A 4 42.610 53.165 25.314 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.291 52.501 28.257 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.375 53.687 27.556 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.971 55.411 25.877 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.455 53.385 29.342 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.177 57.108 26.088 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.706 55.122 29.603 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.552 56.973 27.954 1.00 0.00 H new ATOM 76 N VAL A 5 44.618 51.682 25.667 1.00 0.00 N ATOM 77 CA VAL A 5 45.783 50.824 25.744 1.00 0.00 C ATOM 78 C VAL A 5 46.873 51.553 26.534 1.00 0.00 C ATOM 79 O VAL A 5 47.175 52.708 26.245 1.00 0.00 O ATOM 80 CB VAL A 5 46.273 50.387 24.366 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.442 49.414 24.480 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.178 49.692 23.561 1.00 0.00 C ATOM 0 H VAL A 5 44.824 52.592 25.254 1.00 0.00 H new ATOM 0 HA VAL A 5 45.514 49.903 26.262 1.00 0.00 H new ATOM 0 HB VAL A 5 46.581 51.300 23.857 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.770 49.120 23.483 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.266 49.896 25.006 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.127 48.529 25.033 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.572 49.399 22.588 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.839 48.806 24.097 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.340 50.375 23.422 1.00 0.00 H new ATOM 92 N LYS A 6 47.451 50.890 27.531 1.00 0.00 N ATOM 93 CA LYS A 6 48.495 51.423 28.382 1.00 0.00 C ATOM 94 C LYS A 6 49.736 50.526 28.385 1.00 0.00 C ATOM 95 O LYS A 6 49.622 49.305 28.330 1.00 0.00 O ATOM 96 CB LYS A 6 47.961 51.651 29.794 1.00 0.00 C ATOM 97 CG LYS A 6 46.981 52.821 29.808 1.00 0.00 C ATOM 98 CD LYS A 6 46.533 53.197 31.217 1.00 0.00 C ATOM 99 CE LYS A 6 45.727 54.488 31.124 1.00 0.00 C ATOM 100 NZ LYS A 6 45.068 54.810 32.399 1.00 0.00 N ATOM 0 H LYS A 6 47.192 49.933 27.772 1.00 0.00 H new ATOM 0 HA LYS A 6 48.806 52.386 27.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.466 50.749 30.153 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.788 51.853 30.475 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.448 53.686 29.337 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.107 52.565 29.210 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.928 52.400 31.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.396 53.332 31.868 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.385 55.308 30.837 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.976 54.393 30.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.529 55.694 32.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 44.421 54.038 32.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.787 54.926 33.142 1.00 0.00 H new ATOM 114 N THR A 7 50.913 51.142 28.450 1.00 0.00 N ATOM 115 CA THR A 7 52.198 50.484 28.326 1.00 0.00 C ATOM 116 C THR A 7 53.107 50.748 29.528 1.00 0.00 C ATOM 117 O THR A 7 52.887 51.687 30.290 1.00 0.00 O ATOM 118 CB THR A 7 52.903 50.904 27.039 1.00 0.00 C ATOM 119 OG1 THR A 7 53.134 52.295 27.034 1.00 0.00 O ATOM 120 CG2 THR A 7 52.123 50.550 25.777 1.00 0.00 C ATOM 0 H THR A 7 50.995 52.148 28.596 1.00 0.00 H new ATOM 0 HA THR A 7 51.997 49.413 28.293 1.00 0.00 H new ATOM 0 HB THR A 7 53.841 50.349 27.025 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.276 52.769 27.048 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.682 50.877 24.900 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.975 49.471 25.731 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.154 51.049 25.796 1.00 0.00 H new ATOM 128 N LEU A 8 54.143 49.931 29.694 1.00 0.00 N ATOM 129 CA LEU A 8 55.038 49.963 30.834 1.00 0.00 C ATOM 130 C LEU A 8 55.858 51.250 30.943 1.00 0.00 C ATOM 131 O LEU A 8 56.256 51.616 32.047 1.00 0.00 O ATOM 132 CB LEU A 8 55.951 48.742 30.790 1.00 0.00 C ATOM 133 CG LEU A 8 55.322 47.404 31.172 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.339 46.849 30.144 1.00 0.00 C ATOM 135 CD2 LEU A 8 56.429 46.365 31.326 1.00 0.00 C ATOM 0 H LEU A 8 54.385 49.209 29.016 1.00 0.00 H new ATOM 0 HA LEU A 8 54.416 49.941 31.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.353 48.654 29.781 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.795 48.924 31.455 1.00 0.00 H new ATOM 0 HG LEU A 8 54.770 47.592 32.093 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.942 45.898 30.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 53.520 47.555 30.005 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.852 46.697 29.194 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.991 45.405 31.599 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.967 46.264 30.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.121 46.683 32.106 1.00 0.00 H new ATOM 147 N THR A 9 56.051 51.977 29.847 1.00 0.00 N ATOM 148 CA THR A 9 56.651 53.294 29.783 1.00 0.00 C ATOM 149 C THR A 9 55.684 54.447 30.057 1.00 0.00 C ATOM 150 O THR A 9 56.069 55.612 29.974 1.00 0.00 O ATOM 151 CB THR A 9 57.336 53.536 28.441 1.00 0.00 C ATOM 152 OG1 THR A 9 56.488 53.161 27.378 1.00 0.00 O ATOM 153 CG2 THR A 9 58.647 52.770 28.291 1.00 0.00 C ATOM 0 H THR A 9 55.774 51.636 28.926 1.00 0.00 H new ATOM 0 HA THR A 9 57.385 53.290 30.589 1.00 0.00 H new ATOM 0 HB THR A 9 57.556 54.603 28.409 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.941 53.324 26.525 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.084 52.985 27.316 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.340 53.077 29.075 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.455 51.700 28.375 1.00 0.00 H new ATOM 161 N GLY A 10 54.423 54.169 30.377 1.00 0.00 N ATOM 162 CA GLY A 10 53.433 55.175 30.701 1.00 0.00 C ATOM 163 C GLY A 10 52.783 55.854 29.492 1.00 0.00 C ATOM 164 O GLY A 10 52.024 56.802 29.679 1.00 0.00 O ATOM 0 H GLY A 10 54.060 53.217 30.417 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.651 54.713 31.304 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.903 55.940 31.320 1.00 0.00 H new ATOM 168 N LYS A 11 53.046 55.386 28.276 1.00 0.00 N ATOM 169 CA LYS A 11 52.367 55.853 27.084 1.00 0.00 C ATOM 170 C LYS A 11 50.959 55.252 27.037 1.00 0.00 C ATOM 171 O LYS A 11 50.813 54.033 27.077 1.00 0.00 O ATOM 172 CB LYS A 11 53.194 55.550 25.838 1.00 0.00 C ATOM 173 CG LYS A 11 52.574 55.954 24.504 1.00 0.00 C ATOM 174 CD LYS A 11 52.416 57.460 24.310 1.00 0.00 C ATOM 175 CE LYS A 11 51.780 57.823 22.971 1.00 0.00 C ATOM 176 NZ LYS A 11 52.627 57.508 21.812 1.00 0.00 N ATOM 0 H LYS A 11 53.744 54.665 28.094 1.00 0.00 H new ATOM 0 HA LYS A 11 52.259 56.937 27.113 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.156 56.053 25.935 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.395 54.479 25.812 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.191 55.559 23.697 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.594 55.484 24.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.805 57.863 25.118 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.394 57.935 24.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.833 57.293 22.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.551 58.889 22.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.134 57.780 20.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.522 58.033 21.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.825 56.487 21.794 1.00 0.00 H new ATOM 190 N THR A 12 49.959 56.122 26.934 1.00 0.00 N ATOM 191 CA THR A 12 48.555 55.798 26.778 1.00 0.00 C ATOM 192 C THR A 12 48.096 56.077 25.346 1.00 0.00 C ATOM 193 O THR A 12 48.478 57.084 24.754 1.00 0.00 O ATOM 194 CB THR A 12 47.703 56.562 27.788 1.00 0.00 C ATOM 195 OG1 THR A 12 48.118 56.264 29.102 1.00 0.00 O ATOM 196 CG2 THR A 12 46.220 56.207 27.724 1.00 0.00 C ATOM 0 H THR A 12 50.122 57.129 26.959 1.00 0.00 H new ATOM 0 HA THR A 12 48.425 54.734 26.974 1.00 0.00 H new ATOM 0 HB THR A 12 47.836 57.614 27.534 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.565 56.761 29.740 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.675 56.787 28.469 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.833 56.437 26.731 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.091 55.144 27.927 1.00 0.00 H new ATOM 204 N ILE A 13 47.266 55.194 24.797 1.00 0.00 N ATOM 205 CA ILE A 13 46.717 55.229 23.457 1.00 0.00 C ATOM 206 C ILE A 13 45.208 55.000 23.548 1.00 0.00 C ATOM 207 O ILE A 13 44.770 54.210 24.381 1.00 0.00 O ATOM 208 CB ILE A 13 47.395 54.183 22.576 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.919 54.265 22.582 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.932 54.278 21.125 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.591 53.304 23.559 1.00 0.00 C ATOM 0 H ILE A 13 46.940 54.380 25.319 1.00 0.00 H new ATOM 0 HA ILE A 13 46.902 56.200 22.997 1.00 0.00 H new ATOM 0 HB ILE A 13 47.097 53.231 23.015 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.287 54.060 21.577 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.216 55.284 22.829 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.438 53.517 20.531 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.855 54.120 21.076 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.172 55.265 20.730 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.673 53.425 23.502 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.254 53.521 24.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.326 52.279 23.301 1.00 0.00 H new ATOM 223 N THR A 14 44.406 55.638 22.700 1.00 0.00 N ATOM 224 CA THR A 14 42.992 55.353 22.560 1.00 0.00 C ATOM 225 C THR A 14 42.721 54.658 21.224 1.00 0.00 C ATOM 226 O THR A 14 43.211 55.091 20.183 1.00 0.00 O ATOM 227 CB THR A 14 42.145 56.617 22.678 1.00 0.00 C ATOM 228 OG1 THR A 14 42.412 57.296 23.884 1.00 0.00 O ATOM 229 CG2 THR A 14 40.645 56.336 22.694 1.00 0.00 C ATOM 0 H THR A 14 44.733 56.381 22.082 1.00 0.00 H new ATOM 0 HA THR A 14 42.708 54.688 23.375 1.00 0.00 H new ATOM 0 HB THR A 14 42.410 57.207 21.801 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.858 58.103 23.935 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.100 57.276 22.780 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.359 55.833 21.770 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.403 55.698 23.544 1.00 0.00 H new ATOM 237 N LEU A 15 41.928 53.590 21.241 1.00 0.00 N ATOM 238 CA LEU A 15 41.445 52.902 20.061 1.00 0.00 C ATOM 239 C LEU A 15 39.932 53.082 19.926 1.00 0.00 C ATOM 240 O LEU A 15 39.222 53.114 20.929 1.00 0.00 O ATOM 241 CB LEU A 15 41.777 51.413 20.118 1.00 0.00 C ATOM 242 CG LEU A 15 43.244 51.053 20.336 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.363 49.531 20.346 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.173 51.606 19.260 1.00 0.00 C ATOM 0 H LEU A 15 41.596 53.170 22.109 1.00 0.00 H new ATOM 0 HA LEU A 15 41.943 53.337 19.194 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.192 50.963 20.920 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.447 50.953 19.186 1.00 0.00 H new ATOM 0 HG LEU A 15 43.552 51.500 21.281 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.404 49.248 20.501 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.753 49.124 21.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.017 49.133 19.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.199 51.311 19.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.881 51.209 18.288 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.103 52.694 19.243 1.00 0.00 H new ATOM 256 N GLU A 16 39.439 53.112 18.691 1.00 0.00 N ATOM 257 CA GLU A 16 38.029 52.994 18.382 1.00 0.00 C ATOM 258 C GLU A 16 37.731 51.606 17.812 1.00 0.00 C ATOM 259 O GLU A 16 38.380 51.148 16.873 1.00 0.00 O ATOM 260 CB GLU A 16 37.531 54.141 17.507 1.00 0.00 C ATOM 261 CG GLU A 16 38.383 54.502 16.294 1.00 0.00 C ATOM 262 CD GLU A 16 39.457 55.551 16.588 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.101 56.726 16.820 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.666 55.243 16.501 1.00 0.00 O ATOM 0 H GLU A 16 40.026 53.222 17.864 1.00 0.00 H new ATOM 0 HA GLU A 16 37.458 53.088 19.306 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.530 53.891 17.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.437 55.029 18.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.863 53.599 15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.733 54.873 15.502 1.00 0.00 H new ATOM 271 N VAL A 17 36.797 50.897 18.438 1.00 0.00 N ATOM 272 CA VAL A 17 36.519 49.492 18.215 1.00 0.00 C ATOM 273 C VAL A 17 35.024 49.175 18.263 1.00 0.00 C ATOM 274 O VAL A 17 34.236 49.894 18.876 1.00 0.00 O ATOM 275 CB VAL A 17 37.260 48.604 19.209 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.778 48.705 19.090 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.869 48.888 20.657 1.00 0.00 C ATOM 0 H VAL A 17 36.189 51.310 19.145 1.00 0.00 H new ATOM 0 HA VAL A 17 36.880 49.276 17.209 1.00 0.00 H new ATOM 0 HB VAL A 17 36.954 47.592 18.944 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.245 48.049 19.825 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.085 48.405 18.088 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.090 49.734 19.272 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.427 48.227 21.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.100 49.925 20.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.801 48.714 20.786 1.00 0.00 H new ATOM 287 N GLU A 18 34.652 48.047 17.667 1.00 0.00 N ATOM 288 CA GLU A 18 33.401 47.359 17.921 1.00 0.00 C ATOM 289 C GLU A 18 33.682 46.118 18.771 1.00 0.00 C ATOM 290 O GLU A 18 34.731 45.505 18.586 1.00 0.00 O ATOM 291 CB GLU A 18 32.746 46.956 16.604 1.00 0.00 C ATOM 292 CG GLU A 18 32.205 48.122 15.782 1.00 0.00 C ATOM 293 CD GLU A 18 30.902 48.687 16.349 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.852 48.016 16.244 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.912 49.820 16.878 1.00 0.00 O ATOM 0 H GLU A 18 35.233 47.576 16.974 1.00 0.00 H new ATOM 0 HA GLU A 18 32.720 48.022 18.454 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.474 46.411 16.003 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.928 46.267 16.816 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.954 48.913 15.744 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.038 47.792 14.757 1.00 0.00 H new ATOM 302 N PRO A 19 32.776 45.668 19.635 1.00 0.00 N ATOM 303 CA PRO A 19 32.955 44.440 20.383 1.00 0.00 C ATOM 304 C PRO A 19 33.211 43.182 19.551 1.00 0.00 C ATOM 305 O PRO A 19 33.803 42.234 20.063 1.00 0.00 O ATOM 306 CB PRO A 19 31.691 44.295 21.226 1.00 0.00 C ATOM 307 CG PRO A 19 31.228 45.735 21.436 1.00 0.00 C ATOM 308 CD PRO A 19 31.634 46.409 20.128 1.00 0.00 C ATOM 0 HA PRO A 19 33.867 44.521 20.974 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.934 43.702 20.713 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.897 43.798 22.174 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.153 45.794 21.606 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.713 46.195 22.297 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.816 46.389 19.408 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.889 47.456 20.291 1.00 0.00 H new ATOM 316 N SER A 20 32.818 43.167 18.281 1.00 0.00 N ATOM 317 CA SER A 20 33.093 42.113 17.327 1.00 0.00 C ATOM 318 C SER A 20 34.495 42.145 16.713 1.00 0.00 C ATOM 319 O SER A 20 34.827 41.249 15.941 1.00 0.00 O ATOM 320 CB SER A 20 32.039 42.119 16.224 1.00 0.00 C ATOM 321 OG SER A 20 31.975 43.376 15.588 1.00 0.00 O ATOM 0 H SER A 20 32.274 43.929 17.876 1.00 0.00 H new ATOM 0 HA SER A 20 33.050 41.187 17.900 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.273 41.348 15.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.065 41.872 16.646 1.00 0.00 H new ATOM 0 HG SER A 20 31.293 43.352 14.884 1.00 0.00 H new ATOM 327 N ASP A 21 35.334 43.130 17.022 1.00 0.00 N ATOM 328 CA ASP A 21 36.705 43.174 16.555 1.00 0.00 C ATOM 329 C ASP A 21 37.546 42.071 17.201 1.00 0.00 C ATOM 330 O ASP A 21 37.504 41.866 18.412 1.00 0.00 O ATOM 331 CB ASP A 21 37.338 44.542 16.785 1.00 0.00 C ATOM 332 CG ASP A 21 36.812 45.651 15.871 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.960 46.849 16.194 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.316 45.356 14.762 1.00 0.00 O ATOM 0 H ASP A 21 35.074 43.923 17.608 1.00 0.00 H new ATOM 0 HA ASP A 21 36.683 42.999 15.479 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.172 44.835 17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.416 44.457 16.647 1.00 0.00 H new ATOM 339 N THR A 22 38.328 41.366 16.389 1.00 0.00 N ATOM 340 CA THR A 22 39.283 40.373 16.837 1.00 0.00 C ATOM 341 C THR A 22 40.500 41.010 17.511 1.00 0.00 C ATOM 342 O THR A 22 40.883 42.129 17.179 1.00 0.00 O ATOM 343 CB THR A 22 39.767 39.442 15.729 1.00 0.00 C ATOM 344 OG1 THR A 22 40.293 40.159 14.636 1.00 0.00 O ATOM 345 CG2 THR A 22 38.662 38.521 15.221 1.00 0.00 C ATOM 0 H THR A 22 38.310 41.477 15.375 1.00 0.00 H new ATOM 0 HA THR A 22 38.731 39.774 17.561 1.00 0.00 H new ATOM 0 HB THR A 22 40.553 38.836 16.179 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.594 39.531 13.947 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.057 37.879 14.434 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.295 37.905 16.042 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.843 39.120 14.823 1.00 0.00 H new ATOM 353 N ILE A 23 41.182 40.280 18.389 1.00 0.00 N ATOM 354 CA ILE A 23 42.421 40.742 18.982 1.00 0.00 C ATOM 355 C ILE A 23 43.511 40.947 17.929 1.00 0.00 C ATOM 356 O ILE A 23 44.292 41.890 18.037 1.00 0.00 O ATOM 357 CB ILE A 23 42.849 39.811 20.114 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.784 39.630 21.192 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.165 40.253 20.745 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.316 40.894 21.906 1.00 0.00 C ATOM 0 H ILE A 23 40.888 39.356 18.705 1.00 0.00 H new ATOM 0 HA ILE A 23 42.250 41.724 19.423 1.00 0.00 H new ATOM 0 HB ILE A 23 42.992 38.839 19.642 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.915 39.154 20.737 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.171 38.939 21.941 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.434 39.564 21.546 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.949 40.253 19.988 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.054 41.258 21.153 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.560 40.634 22.647 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.164 41.367 22.402 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.889 41.585 21.179 1.00 0.00 H new ATOM 372 N GLU A 24 43.517 40.177 16.844 1.00 0.00 N ATOM 373 CA GLU A 24 44.319 40.444 15.667 1.00 0.00 C ATOM 374 C GLU A 24 44.067 41.826 15.063 1.00 0.00 C ATOM 375 O GLU A 24 45.019 42.520 14.710 1.00 0.00 O ATOM 376 CB GLU A 24 44.047 39.343 14.646 1.00 0.00 C ATOM 377 CG GLU A 24 44.732 39.577 13.304 1.00 0.00 C ATOM 378 CD GLU A 24 44.536 38.402 12.343 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.376 38.011 12.085 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.553 37.890 11.829 1.00 0.00 O ATOM 0 H GLU A 24 42.950 39.333 16.763 1.00 0.00 H new ATOM 0 HA GLU A 24 45.368 40.446 15.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.381 38.389 15.054 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.972 39.263 14.487 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.337 40.486 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.798 39.739 13.465 1.00 0.00 H new ATOM 387 N ASN A 25 42.810 42.251 14.969 1.00 0.00 N ATOM 388 CA ASN A 25 42.450 43.568 14.483 1.00 0.00 C ATOM 389 C ASN A 25 42.783 44.678 15.481 1.00 0.00 C ATOM 390 O ASN A 25 43.217 45.755 15.076 1.00 0.00 O ATOM 391 CB ASN A 25 40.976 43.570 14.089 1.00 0.00 C ATOM 392 CG ASN A 25 40.571 44.858 13.368 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.800 45.673 13.871 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.067 45.081 12.154 1.00 0.00 N ATOM 0 H ASN A 25 42.008 41.679 15.233 1.00 0.00 H new ATOM 0 HA ASN A 25 43.053 43.787 13.602 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.773 42.715 13.444 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.363 43.448 14.982 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.807 45.925 11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.707 44.408 11.733 1.00 0.00 H new ATOM 401 N VAL A 26 42.680 44.423 16.782 1.00 0.00 N ATOM 402 CA VAL A 26 43.133 45.333 17.816 1.00 0.00 C ATOM 403 C VAL A 26 44.641 45.564 17.703 1.00 0.00 C ATOM 404 O VAL A 26 45.068 46.717 17.679 1.00 0.00 O ATOM 405 CB VAL A 26 42.744 44.831 19.203 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.311 45.679 20.339 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.228 44.824 19.375 1.00 0.00 C ATOM 0 H VAL A 26 42.272 43.563 17.148 1.00 0.00 H new ATOM 0 HA VAL A 26 42.635 46.292 17.671 1.00 0.00 H new ATOM 0 HB VAL A 26 43.163 43.827 19.263 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.994 45.264 21.296 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.400 45.678 20.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.944 46.701 20.248 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.977 44.462 20.372 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.843 45.836 19.248 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.780 44.169 18.628 1.00 0.00 H new ATOM 417 N LYS A 27 45.437 44.516 17.514 1.00 0.00 N ATOM 418 CA LYS A 27 46.850 44.634 17.217 1.00 0.00 C ATOM 419 C LYS A 27 47.119 45.429 15.938 1.00 0.00 C ATOM 420 O LYS A 27 48.050 46.232 15.929 1.00 0.00 O ATOM 421 CB LYS A 27 47.501 43.257 17.104 1.00 0.00 C ATOM 422 CG LYS A 27 47.685 42.516 18.425 1.00 0.00 C ATOM 423 CD LYS A 27 48.357 41.178 18.129 1.00 0.00 C ATOM 424 CE LYS A 27 48.800 40.444 19.392 1.00 0.00 C ATOM 425 NZ LYS A 27 49.471 39.185 19.031 1.00 0.00 N ATOM 0 H LYS A 27 45.109 43.551 17.565 1.00 0.00 H new ATOM 0 HA LYS A 27 47.291 45.181 18.050 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.895 42.640 16.441 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.476 43.371 16.631 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.295 43.105 19.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.722 42.359 18.911 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.666 40.546 17.571 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.224 41.346 17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.476 41.074 19.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.937 40.238 20.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.725 38.666 19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.831 38.603 18.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.333 39.394 18.488 1.00 0.00 H new ATOM 439 N ALA A 28 46.303 45.260 14.902 1.00 0.00 N ATOM 440 CA ALA A 28 46.429 45.989 13.656 1.00 0.00 C ATOM 441 C ALA A 28 46.111 47.479 13.798 1.00 0.00 C ATOM 442 O ALA A 28 46.721 48.292 13.106 1.00 0.00 O ATOM 443 CB ALA A 28 45.553 45.338 12.590 1.00 0.00 C ATOM 0 H ALA A 28 45.525 44.601 14.910 1.00 0.00 H new ATOM 0 HA ALA A 28 47.474 45.936 13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.650 45.888 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.870 44.306 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.513 45.354 12.915 1.00 0.00 H new ATOM 449 N LYS A 29 45.209 47.856 14.699 1.00 0.00 N ATOM 450 CA LYS A 29 44.921 49.233 15.049 1.00 0.00 C ATOM 451 C LYS A 29 46.061 49.862 15.852 1.00 0.00 C ATOM 452 O LYS A 29 46.459 50.992 15.580 1.00 0.00 O ATOM 453 CB LYS A 29 43.579 49.319 15.771 1.00 0.00 C ATOM 454 CG LYS A 29 42.392 49.044 14.853 1.00 0.00 C ATOM 455 CD LYS A 29 41.053 49.010 15.585 1.00 0.00 C ATOM 456 CE LYS A 29 39.929 48.842 14.567 1.00 0.00 C ATOM 457 NZ LYS A 29 38.590 48.909 15.174 1.00 0.00 N ATOM 0 H LYS A 29 44.643 47.186 15.219 1.00 0.00 H new ATOM 0 HA LYS A 29 44.843 49.817 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.569 48.604 16.594 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.471 50.311 16.209 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.355 49.811 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.546 48.090 14.349 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.037 48.188 16.301 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.912 49.930 16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.016 49.617 13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.045 47.884 14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.887 49.129 14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.361 47.993 15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.575 49.653 15.901 1.00 0.00 H new ATOM 471 N ILE A 30 46.661 49.124 16.782 1.00 0.00 N ATOM 472 CA ILE A 30 47.838 49.543 17.515 1.00 0.00 C ATOM 473 C ILE A 30 49.037 49.707 16.581 1.00 0.00 C ATOM 474 O ILE A 30 49.776 50.683 16.701 1.00 0.00 O ATOM 475 CB ILE A 30 48.125 48.577 18.662 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.007 48.615 19.699 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.465 48.865 19.333 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.988 47.425 20.655 1.00 0.00 C ATOM 0 H ILE A 30 46.329 48.197 17.048 1.00 0.00 H new ATOM 0 HA ILE A 30 47.646 50.522 17.954 1.00 0.00 H new ATOM 0 HB ILE A 30 48.176 47.579 18.228 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.101 49.531 20.282 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.049 48.663 19.180 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.627 48.153 20.143 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.267 48.770 18.601 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.460 49.878 19.736 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.161 47.535 21.357 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.861 46.504 20.087 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.928 47.385 21.205 1.00 0.00 H new ATOM 490 N GLN A 31 49.221 48.806 15.620 1.00 0.00 N ATOM 491 CA GLN A 31 50.261 48.890 14.614 1.00 0.00 C ATOM 492 C GLN A 31 50.096 50.121 13.721 1.00 0.00 C ATOM 493 O GLN A 31 51.095 50.748 13.374 1.00 0.00 O ATOM 494 CB GLN A 31 50.265 47.600 13.798 1.00 0.00 C ATOM 495 CG GLN A 31 51.471 47.464 12.873 1.00 0.00 C ATOM 496 CD GLN A 31 51.395 46.200 12.016 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.329 45.654 11.739 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.518 45.679 11.529 1.00 0.00 N ATOM 0 H GLN A 31 48.633 47.978 15.522 1.00 0.00 H new ATOM 0 HA GLN A 31 51.224 49.005 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.243 46.749 14.479 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.354 47.555 13.202 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.531 48.338 12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.384 47.444 13.468 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.416 46.112 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.481 44.846 10.941 1.00 0.00 H new ATOM 507 N ASP A 32 48.873 50.523 13.392 1.00 0.00 N ATOM 508 CA ASP A 32 48.614 51.764 12.689 1.00 0.00 C ATOM 509 C ASP A 32 49.041 52.993 13.494 1.00 0.00 C ATOM 510 O ASP A 32 49.800 53.817 12.989 1.00 0.00 O ATOM 511 CB ASP A 32 47.138 51.837 12.311 1.00 0.00 C ATOM 512 CG ASP A 32 46.851 53.016 11.378 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.736 52.783 10.155 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.706 54.162 11.854 1.00 0.00 O ATOM 0 H ASP A 32 48.031 49.990 13.609 1.00 0.00 H new ATOM 0 HA ASP A 32 49.219 51.770 11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.840 50.908 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.535 51.932 13.214 1.00 0.00 H new ATOM 519 N LYS A 33 48.606 53.110 14.745 1.00 0.00 N ATOM 520 CA LYS A 33 48.855 54.291 15.547 1.00 0.00 C ATOM 521 C LYS A 33 50.290 54.403 16.067 1.00 0.00 C ATOM 522 O LYS A 33 50.849 55.495 16.002 1.00 0.00 O ATOM 523 CB LYS A 33 47.835 54.416 16.676 1.00 0.00 C ATOM 524 CG LYS A 33 46.414 54.593 16.151 1.00 0.00 C ATOM 525 CD LYS A 33 45.477 55.148 17.220 1.00 0.00 C ATOM 526 CE LYS A 33 44.047 55.150 16.685 1.00 0.00 C ATOM 527 NZ LYS A 33 43.155 55.971 17.518 1.00 0.00 N ATOM 0 H LYS A 33 48.072 52.386 15.226 1.00 0.00 H new ATOM 0 HA LYS A 33 48.730 55.138 14.872 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.880 53.527 17.304 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.096 55.266 17.307 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.425 55.266 15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.035 53.634 15.799 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.539 54.542 18.124 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.777 56.160 17.493 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.041 55.529 15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.671 54.128 16.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.166 55.790 17.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.293 55.727 18.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.374 56.977 17.373 1.00 0.00 H new ATOM 541 N GLU A 34 50.883 53.322 16.565 1.00 0.00 N ATOM 542 CA GLU A 34 52.177 53.325 17.218 1.00 0.00 C ATOM 543 C GLU A 34 53.294 52.616 16.450 1.00 0.00 C ATOM 544 O GLU A 34 54.464 52.869 16.732 1.00 0.00 O ATOM 545 CB GLU A 34 52.055 52.725 18.616 1.00 0.00 C ATOM 546 CG GLU A 34 51.294 53.587 19.620 1.00 0.00 C ATOM 547 CD GLU A 34 52.095 54.810 20.070 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.735 54.771 21.143 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.096 55.847 19.370 1.00 0.00 O ATOM 0 H GLU A 34 50.459 52.395 16.521 1.00 0.00 H new ATOM 0 HA GLU A 34 52.473 54.373 17.263 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.558 51.758 18.539 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.056 52.538 19.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.356 53.916 19.173 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.038 52.984 20.491 1.00 0.00 H new ATOM 556 N GLY A 35 52.991 51.757 15.482 1.00 0.00 N ATOM 557 CA GLY A 35 53.987 51.078 14.679 1.00 0.00 C ATOM 558 C GLY A 35 54.560 49.785 15.263 1.00 0.00 C ATOM 559 O GLY A 35 55.528 49.260 14.717 1.00 0.00 O ATOM 0 H GLY A 35 52.032 51.514 15.234 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.547 50.850 13.708 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.812 51.768 14.501 1.00 0.00 H new ATOM 563 N ILE A 36 54.009 49.259 16.353 1.00 0.00 N ATOM 564 CA ILE A 36 54.514 48.074 17.017 1.00 0.00 C ATOM 565 C ILE A 36 54.069 46.816 16.269 1.00 0.00 C ATOM 566 O ILE A 36 52.864 46.628 16.114 1.00 0.00 O ATOM 567 CB ILE A 36 54.089 48.034 18.482 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.349 49.330 19.244 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.759 46.864 19.195 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.787 49.840 19.241 1.00 0.00 C ATOM 0 H ILE A 36 53.184 49.656 16.803 1.00 0.00 H new ATOM 0 HA ILE A 36 55.603 48.111 17.002 1.00 0.00 H new ATOM 0 HB ILE A 36 53.007 47.902 18.474 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.710 50.107 18.825 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.039 49.186 20.279 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.447 46.847 20.239 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.468 45.930 18.714 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.842 46.977 19.142 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.846 50.765 19.814 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.439 49.092 19.692 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.104 50.027 18.215 1.00 0.00 H new ATOM 582 N PRO A 37 54.962 45.932 15.832 1.00 0.00 N ATOM 583 CA PRO A 37 54.580 44.723 15.131 1.00 0.00 C ATOM 584 C PRO A 37 53.695 43.789 15.960 1.00 0.00 C ATOM 585 O PRO A 37 53.931 43.646 17.159 1.00 0.00 O ATOM 586 CB PRO A 37 55.876 44.017 14.738 1.00 0.00 C ATOM 587 CG PRO A 37 56.913 45.137 14.734 1.00 0.00 C ATOM 588 CD PRO A 37 56.405 46.059 15.839 1.00 0.00 C ATOM 0 HA PRO A 37 53.977 44.992 14.264 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.136 43.233 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.793 43.545 13.759 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.915 44.763 14.945 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.959 45.645 13.771 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.817 45.773 16.807 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.707 47.090 15.656 1.00 0.00 H new ATOM 596 N PRO A 38 52.720 43.108 15.367 1.00 0.00 N ATOM 597 CA PRO A 38 51.734 42.339 16.098 1.00 0.00 C ATOM 598 C PRO A 38 52.311 41.167 16.895 1.00 0.00 C ATOM 599 O PRO A 38 51.783 40.835 17.953 1.00 0.00 O ATOM 600 CB PRO A 38 50.731 41.864 15.050 1.00 0.00 C ATOM 601 CG PRO A 38 51.537 41.839 13.755 1.00 0.00 C ATOM 602 CD PRO A 38 52.462 43.038 13.943 1.00 0.00 C ATOM 0 HA PRO A 38 51.276 42.964 16.865 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.336 40.878 15.294 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.879 42.540 14.977 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.092 40.908 13.636 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.902 41.946 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.388 42.911 13.382 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.995 43.955 13.583 1.00 0.00 H new ATOM 610 N ASP A 39 53.422 40.586 16.451 1.00 0.00 N ATOM 611 CA ASP A 39 54.111 39.502 17.123 1.00 0.00 C ATOM 612 C ASP A 39 54.950 39.948 18.322 1.00 0.00 C ATOM 613 O ASP A 39 55.468 39.104 19.050 1.00 0.00 O ATOM 614 CB ASP A 39 54.944 38.728 16.105 1.00 0.00 C ATOM 615 CG ASP A 39 56.068 39.577 15.504 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.762 40.509 14.730 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.253 39.300 15.789 1.00 0.00 O ATOM 0 H ASP A 39 53.878 40.870 15.584 1.00 0.00 H new ATOM 0 HA ASP A 39 53.350 38.848 17.549 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.373 37.848 16.585 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.295 38.370 15.305 1.00 0.00 H new ATOM 622 N GLN A 40 55.087 41.251 18.549 1.00 0.00 N ATOM 623 CA GLN A 40 55.700 41.829 19.727 1.00 0.00 C ATOM 624 C GLN A 40 54.673 42.321 20.749 1.00 0.00 C ATOM 625 O GLN A 40 55.040 42.606 21.886 1.00 0.00 O ATOM 626 CB GLN A 40 56.633 42.966 19.323 1.00 0.00 C ATOM 627 CG GLN A 40 57.770 42.502 18.416 1.00 0.00 C ATOM 628 CD GLN A 40 58.720 43.631 18.014 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.623 44.780 18.440 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.687 43.334 17.150 1.00 0.00 N ATOM 0 H GLN A 40 54.759 41.955 17.888 1.00 0.00 H new ATOM 0 HA GLN A 40 56.272 41.038 20.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.058 43.738 18.812 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.052 43.422 20.220 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.337 41.723 18.925 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.348 42.053 17.517 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.776 42.383 16.791 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.340 44.057 16.847 1.00 0.00 H new ATOM 639 N GLN A 41 53.403 42.417 20.366 1.00 0.00 N ATOM 640 CA GLN A 41 52.326 42.865 21.225 1.00 0.00 C ATOM 641 C GLN A 41 51.744 41.700 22.027 1.00 0.00 C ATOM 642 O GLN A 41 51.319 40.703 21.449 1.00 0.00 O ATOM 643 CB GLN A 41 51.228 43.523 20.393 1.00 0.00 C ATOM 644 CG GLN A 41 51.634 44.775 19.620 1.00 0.00 C ATOM 645 CD GLN A 41 50.439 45.371 18.874 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.332 45.444 19.402 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.575 45.809 17.626 1.00 0.00 N ATOM 0 H GLN A 41 53.093 42.178 19.424 1.00 0.00 H new ATOM 0 HA GLN A 41 52.732 43.595 21.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.848 42.789 19.683 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.402 43.781 21.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.043 45.515 20.308 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.424 44.528 18.910 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.483 45.760 17.164 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.771 46.194 17.130 1.00 0.00 H new ATOM 656 N ARG A 42 51.666 41.835 23.349 1.00 0.00 N ATOM 657 CA ARG A 42 50.922 40.962 24.232 1.00 0.00 C ATOM 658 C ARG A 42 49.892 41.783 25.011 1.00 0.00 C ATOM 659 O ARG A 42 50.262 42.779 25.630 1.00 0.00 O ATOM 660 CB ARG A 42 51.911 40.236 25.139 1.00 0.00 C ATOM 661 CG ARG A 42 51.258 39.246 26.100 1.00 0.00 C ATOM 662 CD ARG A 42 52.326 38.646 27.010 1.00 0.00 C ATOM 663 NE ARG A 42 51.753 37.700 27.966 1.00 0.00 N ATOM 664 CZ ARG A 42 51.533 36.392 27.770 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.801 35.789 26.604 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.021 35.637 28.751 1.00 0.00 N ATOM 0 H ARG A 42 52.141 42.588 23.847 1.00 0.00 H new ATOM 0 HA ARG A 42 50.367 40.209 23.672 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.633 39.704 24.520 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.468 40.974 25.716 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.497 39.749 26.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.755 38.457 25.541 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.078 38.141 26.404 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.835 39.445 27.549 1.00 0.00 H new ATOM 0 HE ARG A 42 51.493 38.075 28.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.186 36.328 25.828 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.620 34.791 26.492 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.796 36.057 29.653 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.856 34.642 28.596 1.00 0.00 H new ATOM 680 N LEU A 43 48.618 41.402 24.966 1.00 0.00 N ATOM 681 CA LEU A 43 47.513 42.196 25.464 1.00 0.00 C ATOM 682 C LEU A 43 46.823 41.516 26.648 1.00 0.00 C ATOM 683 O LEU A 43 46.382 40.374 26.530 1.00 0.00 O ATOM 684 CB LEU A 43 46.539 42.494 24.328 1.00 0.00 C ATOM 685 CG LEU A 43 47.078 43.440 23.259 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.176 43.425 22.028 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.154 44.880 23.758 1.00 0.00 C ATOM 0 H LEU A 43 48.325 40.509 24.571 1.00 0.00 H new ATOM 0 HA LEU A 43 47.901 43.143 25.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.257 41.554 23.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.630 42.924 24.750 1.00 0.00 H new ATOM 0 HG LEU A 43 48.080 43.088 23.011 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.576 44.105 21.276 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.135 42.415 21.619 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.172 43.744 22.309 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.543 45.520 22.966 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.158 45.220 24.043 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.816 44.931 24.623 1.00 0.00 H new ATOM 699 N ILE A 44 46.727 42.225 27.768 1.00 0.00 N ATOM 700 CA ILE A 44 46.262 41.731 29.049 1.00 0.00 C ATOM 701 C ILE A 44 44.991 42.443 29.515 1.00 0.00 C ATOM 702 O ILE A 44 44.918 43.671 29.526 1.00 0.00 O ATOM 703 CB ILE A 44 47.362 41.847 30.100 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.723 41.295 29.684 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.938 41.226 31.427 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.768 39.817 29.311 1.00 0.00 C ATOM 0 H ILE A 44 46.986 43.211 27.803 1.00 0.00 H new ATOM 0 HA ILE A 44 46.011 40.679 28.918 1.00 0.00 H new ATOM 0 HB ILE A 44 47.499 42.922 30.216 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.081 41.874 28.832 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.425 41.463 30.501 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.747 41.327 32.151 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.050 41.737 31.800 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.714 40.170 31.279 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.786 39.543 29.034 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.450 39.217 30.163 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.101 39.634 28.469 1.00 0.00 H new ATOM 718 N PHE A 45 44.009 41.670 29.970 1.00 0.00 N ATOM 719 CA PHE A 45 42.822 42.130 30.662 1.00 0.00 C ATOM 720 C PHE A 45 42.324 41.100 31.677 1.00 0.00 C ATOM 721 O PHE A 45 42.278 39.908 31.382 1.00 0.00 O ATOM 722 CB PHE A 45 41.730 42.477 29.653 1.00 0.00 C ATOM 723 CG PHE A 45 40.374 42.736 30.264 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.198 43.786 31.173 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.299 41.889 29.966 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.959 43.983 31.794 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.056 42.093 30.578 1.00 0.00 C ATOM 728 CZ PHE A 45 37.884 43.134 31.499 1.00 0.00 C ATOM 0 H PHE A 45 44.026 40.656 29.857 1.00 0.00 H new ATOM 0 HA PHE A 45 43.083 43.029 31.221 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.037 43.360 29.093 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.642 41.660 28.936 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.022 44.447 31.396 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.429 41.078 29.264 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.832 44.790 32.501 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.226 41.445 30.339 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.928 43.282 31.979 1.00 0.00 H new ATOM 738 N ALA A 46 41.930 41.561 32.861 1.00 0.00 N ATOM 739 CA ALA A 46 41.429 40.750 33.952 1.00 0.00 C ATOM 740 C ALA A 46 42.334 39.571 34.316 1.00 0.00 C ATOM 741 O ALA A 46 41.873 38.467 34.599 1.00 0.00 O ATOM 742 CB ALA A 46 39.970 40.390 33.686 1.00 0.00 C ATOM 0 H ALA A 46 41.955 42.555 33.090 1.00 0.00 H new ATOM 0 HA ALA A 46 41.454 41.342 34.867 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.591 39.780 34.506 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.378 41.302 33.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.897 39.831 32.753 1.00 0.00 H new ATOM 748 N GLY A 47 43.649 39.770 34.276 1.00 0.00 N ATOM 749 CA GLY A 47 44.638 38.761 34.598 1.00 0.00 C ATOM 750 C GLY A 47 44.819 37.644 33.569 1.00 0.00 C ATOM 751 O GLY A 47 45.565 36.708 33.851 1.00 0.00 O ATOM 0 H GLY A 47 44.061 40.665 34.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.599 39.255 34.740 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.368 38.308 35.552 1.00 0.00 H new ATOM 755 N LYS A 48 44.179 37.731 32.408 1.00 0.00 N ATOM 756 CA LYS A 48 44.309 36.826 31.282 1.00 0.00 C ATOM 757 C LYS A 48 44.953 37.537 30.090 1.00 0.00 C ATOM 758 O LYS A 48 44.757 38.739 29.917 1.00 0.00 O ATOM 759 CB LYS A 48 42.939 36.279 30.893 1.00 0.00 C ATOM 760 CG LYS A 48 42.240 35.374 31.903 1.00 0.00 C ATOM 761 CD LYS A 48 42.977 34.070 32.194 1.00 0.00 C ATOM 762 CE LYS A 48 42.058 32.909 32.565 1.00 0.00 C ATOM 763 NZ LYS A 48 41.298 33.113 33.807 1.00 0.00 N ATOM 0 H LYS A 48 43.516 38.483 32.221 1.00 0.00 H new ATOM 0 HA LYS A 48 44.953 35.997 31.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.283 37.125 30.686 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.048 35.725 29.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.113 35.922 32.837 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.242 35.139 31.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.562 33.792 31.318 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.682 34.237 33.008 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.357 32.740 31.747 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.657 32.004 32.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.700 32.282 33.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.958 33.244 34.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.698 33.957 33.712 1.00 0.00 H new ATOM 777 N GLN A 49 45.663 36.805 29.237 1.00 0.00 N ATOM 778 CA GLN A 49 46.136 37.287 27.955 1.00 0.00 C ATOM 779 C GLN A 49 45.134 36.967 26.845 1.00 0.00 C ATOM 780 O GLN A 49 44.439 35.956 26.916 1.00 0.00 O ATOM 781 CB GLN A 49 47.557 36.800 27.685 1.00 0.00 C ATOM 782 CG GLN A 49 47.674 35.360 27.193 1.00 0.00 C ATOM 783 CD GLN A 49 47.472 35.173 25.687 1.00 0.00 C ATOM 784 OE1 GLN A 49 47.575 36.094 24.880 1.00 0.00 O ATOM 785 NE2 GLN A 49 47.230 33.940 25.253 1.00 0.00 N ATOM 0 H GLN A 49 45.929 35.839 29.428 1.00 0.00 H new ATOM 0 HA GLN A 49 46.200 38.375 27.978 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.013 37.457 26.945 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.138 36.901 28.602 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.659 34.979 27.462 1.00 0.00 H new ATOM 0 HG3 GLN A 49 46.941 34.751 27.721 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.144 33.173 25.919 1.00 0.00 H new ATOM 0 HE22 GLN A 49 47.131 33.761 24.254 1.00 0.00 H new ATOM 794 N LEU A 50 45.033 37.820 25.828 1.00 0.00 N ATOM 795 CA LEU A 50 43.957 37.771 24.859 1.00 0.00 C ATOM 796 C LEU A 50 44.384 37.131 23.536 1.00 0.00 C ATOM 797 O LEU A 50 45.368 37.534 22.920 1.00 0.00 O ATOM 798 CB LEU A 50 43.362 39.167 24.696 1.00 0.00 C ATOM 799 CG LEU A 50 43.012 39.909 25.983 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.437 41.277 25.626 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.010 39.170 26.865 1.00 0.00 C ATOM 0 H LEU A 50 45.705 38.568 25.658 1.00 0.00 H new ATOM 0 HA LEU A 50 43.173 37.113 25.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.068 39.776 24.132 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.458 39.085 24.092 1.00 0.00 H new ATOM 0 HG LEU A 50 43.935 39.994 26.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.184 41.815 26.540 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.176 41.847 25.063 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.540 41.148 25.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.810 39.758 27.761 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.081 39.021 26.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.422 38.202 27.151 1.00 0.00 H new ATOM 813 N GLU A 51 43.638 36.133 23.072 1.00 0.00 N ATOM 814 CA GLU A 51 43.965 35.341 21.904 1.00 0.00 C ATOM 815 C GLU A 51 43.568 36.014 20.588 1.00 0.00 C ATOM 816 O GLU A 51 42.442 36.477 20.422 1.00 0.00 O ATOM 817 CB GLU A 51 43.332 33.955 21.992 1.00 0.00 C ATOM 818 CG GLU A 51 43.923 33.098 23.109 1.00 0.00 C ATOM 819 CD GLU A 51 43.358 31.677 23.074 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.789 30.863 22.229 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.473 31.354 23.896 1.00 0.00 O ATOM 0 H GLU A 51 42.764 35.849 23.516 1.00 0.00 H new ATOM 0 HA GLU A 51 45.051 35.246 21.899 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.259 34.061 22.152 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.463 33.441 21.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.008 33.063 23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.706 33.555 24.075 1.00 0.00 H new ATOM 828 N ASP A 52 44.472 35.981 19.613 1.00 0.00 N ATOM 829 CA ASP A 52 44.350 36.605 18.310 1.00 0.00 C ATOM 830 C ASP A 52 43.133 36.151 17.503 1.00 0.00 C ATOM 831 O ASP A 52 42.609 36.921 16.700 1.00 0.00 O ATOM 832 CB ASP A 52 45.631 36.351 17.520 1.00 0.00 C ATOM 833 CG ASP A 52 46.863 36.986 18.169 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.311 38.053 17.698 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.393 36.436 19.159 1.00 0.00 O ATOM 0 H ASP A 52 45.358 35.488 19.723 1.00 0.00 H new ATOM 0 HA ASP A 52 44.198 37.670 18.485 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.788 35.276 17.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.514 36.745 16.510 1.00 0.00 H new ATOM 840 N GLY A 53 42.665 34.927 17.733 1.00 0.00 N ATOM 841 CA GLY A 53 41.489 34.325 17.139 1.00 0.00 C ATOM 842 C GLY A 53 40.161 34.538 17.871 1.00 0.00 C ATOM 843 O GLY A 53 39.183 33.897 17.494 1.00 0.00 O ATOM 0 H GLY A 53 43.132 34.294 18.382 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.384 34.712 16.125 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.662 33.252 17.054 1.00 0.00 H new ATOM 847 N ARG A 54 40.097 35.380 18.898 1.00 0.00 N ATOM 848 CA ARG A 54 38.882 35.742 19.599 1.00 0.00 C ATOM 849 C ARG A 54 38.565 37.234 19.482 1.00 0.00 C ATOM 850 O ARG A 54 39.412 38.012 19.050 1.00 0.00 O ATOM 851 CB ARG A 54 38.949 35.300 21.058 1.00 0.00 C ATOM 852 CG ARG A 54 39.192 33.808 21.261 1.00 0.00 C ATOM 853 CD ARG A 54 38.969 33.437 22.725 1.00 0.00 C ATOM 854 NE ARG A 54 39.690 32.220 23.102 1.00 0.00 N ATOM 855 CZ ARG A 54 39.222 30.966 23.168 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.938 30.631 22.989 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.093 29.981 23.428 1.00 0.00 N ATOM 0 H ARG A 54 40.924 35.843 19.274 1.00 0.00 H new ATOM 0 HA ARG A 54 38.060 35.212 19.118 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.744 35.855 21.555 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.015 35.572 21.549 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.520 33.232 20.625 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.209 33.553 20.964 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.293 34.261 23.361 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.903 33.296 22.904 1.00 0.00 H new ATOM 0 HE ARG A 54 40.673 32.342 23.345 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.246 31.353 22.788 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.652 29.654 23.054 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.080 30.197 23.569 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.769 29.016 23.485 1.00 0.00 H new ATOM 871 N THR A 55 37.358 37.637 19.870 1.00 0.00 N ATOM 872 CA THR A 55 36.918 39.018 19.865 1.00 0.00 C ATOM 873 C THR A 55 36.955 39.686 21.241 1.00 0.00 C ATOM 874 O THR A 55 37.019 39.019 22.271 1.00 0.00 O ATOM 875 CB THR A 55 35.521 39.195 19.277 1.00 0.00 C ATOM 876 OG1 THR A 55 34.549 38.648 20.141 1.00 0.00 O ATOM 877 CG2 THR A 55 35.348 38.564 17.897 1.00 0.00 C ATOM 0 H THR A 55 36.644 36.990 20.205 1.00 0.00 H new ATOM 0 HA THR A 55 37.646 39.514 19.224 1.00 0.00 H new ATOM 0 HB THR A 55 35.388 40.271 19.167 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.601 37.670 20.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.330 38.731 17.545 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.052 39.017 17.199 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.538 37.493 17.960 1.00 0.00 H new ATOM 885 N LEU A 56 36.839 41.011 21.269 1.00 0.00 N ATOM 886 CA LEU A 56 36.632 41.770 22.486 1.00 0.00 C ATOM 887 C LEU A 56 35.400 41.313 23.268 1.00 0.00 C ATOM 888 O LEU A 56 35.444 41.220 24.493 1.00 0.00 O ATOM 889 CB LEU A 56 36.530 43.251 22.131 1.00 0.00 C ATOM 890 CG LEU A 56 37.808 43.888 21.592 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.504 45.320 21.162 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.915 43.945 22.640 1.00 0.00 C ATOM 0 H LEU A 56 36.888 41.591 20.431 1.00 0.00 H new ATOM 0 HA LEU A 56 37.485 41.597 23.142 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.742 43.375 21.388 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.219 43.799 23.020 1.00 0.00 H new ATOM 0 HG LEU A 56 38.150 43.274 20.759 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.411 45.784 20.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.740 45.312 20.384 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.143 45.888 22.019 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.803 44.406 22.207 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.579 44.535 23.493 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.156 42.935 22.970 1.00 0.00 H new ATOM 904 N SER A 57 34.312 40.973 22.582 1.00 0.00 N ATOM 905 CA SER A 57 33.101 40.464 23.194 1.00 0.00 C ATOM 906 C SER A 57 33.279 39.103 23.870 1.00 0.00 C ATOM 907 O SER A 57 32.692 38.860 24.922 1.00 0.00 O ATOM 908 CB SER A 57 31.964 40.411 22.177 1.00 0.00 C ATOM 909 OG SER A 57 32.118 39.365 21.244 1.00 0.00 O ATOM 0 H SER A 57 34.252 41.047 21.566 1.00 0.00 H new ATOM 0 HA SER A 57 32.847 41.167 23.987 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.017 40.287 22.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.912 41.362 21.646 1.00 0.00 H new ATOM 0 HG SER A 57 33.059 39.300 20.977 1.00 0.00 H new ATOM 915 N ASP A 58 34.133 38.236 23.334 1.00 0.00 N ATOM 916 CA ASP A 58 34.406 36.925 23.885 1.00 0.00 C ATOM 917 C ASP A 58 35.103 36.978 25.246 1.00 0.00 C ATOM 918 O ASP A 58 35.016 36.020 26.011 1.00 0.00 O ATOM 919 CB ASP A 58 35.223 36.087 22.906 1.00 0.00 C ATOM 920 CG ASP A 58 34.429 35.707 21.654 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.383 35.037 21.795 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.873 36.042 20.534 1.00 0.00 O ATOM 0 H ASP A 58 34.663 38.436 22.486 1.00 0.00 H new ATOM 0 HA ASP A 58 33.437 36.453 24.045 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.114 36.643 22.613 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.563 35.180 23.405 1.00 0.00 H new ATOM 927 N TYR A 59 35.747 38.097 25.569 1.00 0.00 N ATOM 928 CA TYR A 59 36.336 38.379 26.863 1.00 0.00 C ATOM 929 C TYR A 59 35.528 39.357 27.718 1.00 0.00 C ATOM 930 O TYR A 59 35.981 39.705 28.807 1.00 0.00 O ATOM 931 CB TYR A 59 37.767 38.870 26.660 1.00 0.00 C ATOM 932 CG TYR A 59 38.699 37.828 26.091 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.117 36.766 26.904 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.182 37.946 24.783 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.019 35.814 26.413 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.106 37.016 24.290 1.00 0.00 C ATOM 937 CZ TYR A 59 40.525 35.945 25.105 1.00 0.00 C ATOM 938 OH TYR A 59 41.401 35.023 24.611 1.00 0.00 O ATOM 0 H TYR A 59 35.875 38.860 24.904 1.00 0.00 H new ATOM 0 HA TYR A 59 36.332 37.448 27.430 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.753 39.733 25.994 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.162 39.212 27.617 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.742 36.681 27.913 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.842 38.755 24.153 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.325 34.985 27.033 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.496 37.119 23.288 1.00 0.00 H new ATOM 0 HH TYR A 59 41.225 34.151 25.023 1.00 0.00 H new ATOM 948 N ASN A 60 34.362 39.801 27.260 1.00 0.00 N ATOM 949 CA ASN A 60 33.547 40.815 27.899 1.00 0.00 C ATOM 950 C ASN A 60 34.313 42.113 28.163 1.00 0.00 C ATOM 951 O ASN A 60 34.342 42.621 29.282 1.00 0.00 O ATOM 952 CB ASN A 60 32.820 40.216 29.100 1.00 0.00 C ATOM 953 CG ASN A 60 31.811 41.180 29.728 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.232 42.035 29.061 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.576 41.068 31.032 1.00 0.00 N ATOM 0 H ASN A 60 33.947 39.447 26.398 1.00 0.00 H new ATOM 0 HA ASN A 60 32.767 41.139 27.210 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.303 39.308 28.789 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.552 39.924 29.853 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.911 41.694 31.486 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.061 40.356 31.578 1.00 0.00 H new ATOM 962 N ILE A 61 34.947 42.659 27.129 1.00 0.00 N ATOM 963 CA ILE A 61 35.621 43.941 27.165 1.00 0.00 C ATOM 964 C ILE A 61 34.648 45.056 26.777 1.00 0.00 C ATOM 965 O ILE A 61 33.866 44.921 25.840 1.00 0.00 O ATOM 966 CB ILE A 61 36.899 43.907 26.332 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.910 42.951 26.959 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.527 45.291 26.200 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.934 42.410 25.967 1.00 0.00 C ATOM 0 H ILE A 61 35.004 42.203 26.218 1.00 0.00 H new ATOM 0 HA ILE A 61 35.946 44.161 28.182 1.00 0.00 H new ATOM 0 HB ILE A 61 36.628 43.560 25.335 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.434 43.466 27.764 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.376 42.115 27.410 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.434 45.223 25.600 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.821 45.966 25.716 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.775 45.674 27.190 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.620 41.738 26.482 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.420 41.866 25.174 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.495 43.239 25.534 1.00 0.00 H new ATOM 981 N GLN A 62 34.678 46.157 27.524 1.00 0.00 N ATOM 982 CA GLN A 62 33.661 47.189 27.537 1.00 0.00 C ATOM 983 C GLN A 62 34.239 48.579 27.266 1.00 0.00 C ATOM 984 O GLN A 62 35.445 48.795 27.363 1.00 0.00 O ATOM 985 CB GLN A 62 32.916 47.109 28.866 1.00 0.00 C ATOM 986 CG GLN A 62 32.115 45.817 29.007 1.00 0.00 C ATOM 987 CD GLN A 62 31.418 45.631 30.356 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.327 46.515 31.205 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.869 44.443 30.592 1.00 0.00 N ATOM 0 H GLN A 62 35.448 46.357 28.162 1.00 0.00 H new ATOM 0 HA GLN A 62 32.957 47.018 26.722 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.631 47.181 29.685 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.243 47.962 28.954 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.362 45.786 28.219 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.784 44.973 28.842 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.938 43.702 29.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.379 44.273 31.470 1.00 0.00 H new ATOM 998 N LYS A 63 33.388 49.548 26.936 1.00 0.00 N ATOM 999 CA LYS A 63 33.776 50.918 26.676 1.00 0.00 C ATOM 1000 C LYS A 63 34.477 51.568 27.870 1.00 0.00 C ATOM 1001 O LYS A 63 34.280 51.150 29.009 1.00 0.00 O ATOM 1002 CB LYS A 63 32.572 51.728 26.202 1.00 0.00 C ATOM 1003 CG LYS A 63 31.542 52.059 27.277 1.00 0.00 C ATOM 1004 CD LYS A 63 30.325 52.740 26.656 1.00 0.00 C ATOM 1005 CE LYS A 63 29.282 53.056 27.724 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.087 53.677 27.131 1.00 0.00 N ATOM 0 H LYS A 63 32.385 49.390 26.842 1.00 0.00 H new ATOM 0 HA LYS A 63 34.514 50.907 25.874 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.931 52.661 25.768 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.075 51.176 25.404 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.235 51.147 27.788 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.988 52.711 28.028 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.631 53.659 26.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.889 52.093 25.895 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.000 52.140 28.243 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.712 53.725 28.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.394 53.881 27.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.355 54.563 26.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.666 53.027 26.438 1.00 0.00 H new ATOM 1020 N GLU A 64 35.298 52.585 27.621 1.00 0.00 N ATOM 1021 CA GLU A 64 36.068 53.302 28.616 1.00 0.00 C ATOM 1022 C GLU A 64 37.016 52.439 29.453 1.00 0.00 C ATOM 1023 O GLU A 64 37.473 52.853 30.515 1.00 0.00 O ATOM 1024 CB GLU A 64 35.168 54.168 29.494 1.00 0.00 C ATOM 1025 CG GLU A 64 34.375 55.241 28.756 1.00 0.00 C ATOM 1026 CD GLU A 64 33.606 56.099 29.762 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.255 56.732 30.624 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.357 56.078 29.751 1.00 0.00 O ATOM 0 H GLU A 64 35.446 52.942 26.677 1.00 0.00 H new ATOM 0 HA GLU A 64 36.730 53.951 28.043 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.468 53.519 30.019 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.784 54.652 30.252 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.049 55.866 28.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.682 54.776 28.055 1.00 0.00 H new ATOM 1035 N SER A 65 37.322 51.226 29.004 1.00 0.00 N ATOM 1036 CA SER A 65 38.098 50.240 29.731 1.00 0.00 C ATOM 1037 C SER A 65 39.473 50.030 29.096 1.00 0.00 C ATOM 1038 O SER A 65 39.701 50.432 27.957 1.00 0.00 O ATOM 1039 CB SER A 65 37.305 48.948 29.901 1.00 0.00 C ATOM 1040 OG SER A 65 36.009 49.226 30.382 1.00 0.00 O ATOM 0 H SER A 65 37.022 50.895 28.087 1.00 0.00 H new ATOM 0 HA SER A 65 38.292 50.619 30.734 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.241 48.425 28.947 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.822 48.285 30.594 1.00 0.00 H new ATOM 0 HG SER A 65 35.523 49.763 29.722 1.00 0.00 H new ATOM 1046 N THR A 66 40.416 49.458 29.841 1.00 0.00 N ATOM 1047 CA THR A 66 41.826 49.443 29.508 1.00 0.00 C ATOM 1048 C THR A 66 42.346 48.043 29.177 1.00 0.00 C ATOM 1049 O THR A 66 42.115 47.082 29.909 1.00 0.00 O ATOM 1050 CB THR A 66 42.631 50.047 30.655 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.300 51.407 30.825 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.144 50.040 30.451 1.00 0.00 C ATOM 0 H THR A 66 40.207 48.980 30.717 1.00 0.00 H new ATOM 0 HA THR A 66 41.951 50.043 28.606 1.00 0.00 H new ATOM 0 HB THR A 66 42.376 49.418 31.508 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.823 51.781 31.565 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.630 50.489 31.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.490 49.013 30.332 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.393 50.613 29.558 1.00 0.00 H new ATOM 1060 N LEU A 67 43.153 47.941 28.126 1.00 0.00 N ATOM 1061 CA LEU A 67 44.082 46.853 27.892 1.00 0.00 C ATOM 1062 C LEU A 67 45.486 47.280 28.324 1.00 0.00 C ATOM 1063 O LEU A 67 45.896 48.411 28.067 1.00 0.00 O ATOM 1064 CB LEU A 67 44.075 46.447 26.421 1.00 0.00 C ATOM 1065 CG LEU A 67 42.717 46.070 25.837 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.894 45.577 24.404 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.032 44.969 26.642 1.00 0.00 C ATOM 0 H LEU A 67 43.175 48.644 27.388 1.00 0.00 H new ATOM 0 HA LEU A 67 43.774 45.989 28.481 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.484 47.270 25.836 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.750 45.600 26.295 1.00 0.00 H new ATOM 0 HG LEU A 67 42.093 46.963 25.869 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.923 45.308 23.989 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.341 46.367 23.800 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.545 44.703 24.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.069 44.733 26.190 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.659 44.077 26.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.878 45.309 27.666 1.00 0.00 H new ATOM 1079 N HIS A 68 46.246 46.384 28.947 1.00 0.00 N ATOM 1080 CA HIS A 68 47.665 46.592 29.155 1.00 0.00 C ATOM 1081 C HIS A 68 48.441 45.886 28.041 1.00 0.00 C ATOM 1082 O HIS A 68 48.179 44.723 27.746 1.00 0.00 O ATOM 1083 CB HIS A 68 48.090 46.170 30.558 1.00 0.00 C ATOM 1084 CG HIS A 68 47.870 47.260 31.569 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.881 47.933 32.254 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.662 47.737 32.008 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.278 48.811 33.060 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.944 48.711 32.946 1.00 0.00 N ATOM 0 H HIS A 68 45.894 45.501 29.317 1.00 0.00 H new ATOM 0 HA HIS A 68 47.898 47.655 29.097 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.530 45.283 30.854 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.144 45.893 30.549 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.683 47.415 31.684 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.791 49.503 33.711 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.257 49.260 33.463 1.00 0.00 H new ATOM 1096 N LEU A 69 49.366 46.615 27.421 1.00 0.00 N ATOM 1097 CA LEU A 69 50.211 46.151 26.339 1.00 0.00 C ATOM 1098 C LEU A 69 51.620 45.905 26.883 1.00 0.00 C ATOM 1099 O LEU A 69 52.369 46.836 27.173 1.00 0.00 O ATOM 1100 CB LEU A 69 50.131 47.158 25.195 1.00 0.00 C ATOM 1101 CG LEU A 69 51.166 46.984 24.087 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.117 45.607 23.432 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.925 48.023 22.995 1.00 0.00 C ATOM 0 H LEU A 69 49.550 47.586 27.675 1.00 0.00 H new ATOM 0 HA LEU A 69 49.879 45.197 25.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.137 47.098 24.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.235 48.161 25.610 1.00 0.00 H new ATOM 0 HG LEU A 69 52.142 47.105 24.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.877 45.547 22.653 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.306 44.840 24.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.133 45.449 22.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.665 47.898 22.204 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.925 47.891 22.581 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.013 49.023 23.419 1.00 0.00 H new ATOM 1115 N VAL A 70 51.958 44.625 27.009 1.00 0.00 N ATOM 1116 CA VAL A 70 53.264 44.122 27.386 1.00 0.00 C ATOM 1117 C VAL A 70 54.055 43.855 26.104 1.00 0.00 C ATOM 1118 O VAL A 70 53.522 43.287 25.152 1.00 0.00 O ATOM 1119 CB VAL A 70 53.127 42.870 28.247 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.483 42.354 28.722 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.268 43.104 29.487 1.00 0.00 C ATOM 0 H VAL A 70 51.288 43.875 26.840 1.00 0.00 H new ATOM 0 HA VAL A 70 53.800 44.855 27.989 1.00 0.00 H new ATOM 0 HB VAL A 70 52.647 42.135 27.601 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.340 41.462 29.332 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.101 42.108 27.859 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.978 43.123 29.315 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.203 42.182 30.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.719 43.885 30.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.268 43.413 29.184 1.00 0.00 H new ATOM 1131 N LEU A 71 55.317 44.271 26.050 1.00 0.00 N ATOM 1132 CA LEU A 71 56.167 44.083 24.892 1.00 0.00 C ATOM 1133 C LEU A 71 56.954 42.778 25.023 1.00 0.00 C ATOM 1134 O LEU A 71 57.576 42.534 26.055 1.00 0.00 O ATOM 1135 CB LEU A 71 57.087 45.282 24.683 1.00 0.00 C ATOM 1136 CG LEU A 71 56.435 46.537 24.108 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.523 47.267 25.090 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.526 47.515 23.683 1.00 0.00 C ATOM 0 H LEU A 71 55.778 44.753 26.822 1.00 0.00 H new ATOM 0 HA LEU A 71 55.538 44.009 24.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.539 45.539 25.641 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.897 44.981 24.019 1.00 0.00 H new ATOM 0 HG LEU A 71 55.821 46.202 23.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.098 48.147 24.607 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.719 46.601 25.403 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.100 47.575 25.962 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.068 48.414 23.271 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.134 47.781 24.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.157 47.050 22.926 1.00 0.00 H new ATOM 1150 N ARG A 72 56.949 41.962 23.972 1.00 0.00 N ATOM 1151 CA ARG A 72 57.674 40.712 23.858 1.00 0.00 C ATOM 1152 C ARG A 72 58.711 40.822 22.738 1.00 0.00 C ATOM 1153 O ARG A 72 58.504 40.328 21.631 1.00 0.00 O ATOM 1154 CB ARG A 72 56.685 39.568 23.656 1.00 0.00 C ATOM 1155 CG ARG A 72 55.866 39.231 24.899 1.00 0.00 C ATOM 1156 CD ARG A 72 56.667 38.406 25.902 1.00 0.00 C ATOM 1157 NE ARG A 72 55.962 38.246 27.173 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.122 38.989 28.277 1.00 0.00 C ATOM 1159 NH1 ARG A 72 56.984 40.013 28.352 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.407 38.702 29.373 1.00 0.00 N ATOM 0 H ARG A 72 56.407 42.172 23.134 1.00 0.00 H new ATOM 0 HA ARG A 72 58.223 40.497 24.775 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.005 39.828 22.845 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.232 38.679 23.341 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.530 40.153 25.373 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.973 38.679 24.606 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.875 37.424 25.478 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.629 38.887 26.080 1.00 0.00 H new ATOM 0 HE ARG A 72 55.278 37.491 27.225 1.00 0.00 H new ATOM 0 HH11 ARG A 72 57.556 40.258 27.544 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.067 40.547 29.217 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.748 37.924 29.363 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.522 39.262 30.218 1.00 0.00 H new ATOM 1174 N LEU A 73 59.804 41.530 23.006 1.00 0.00 N ATOM 1175 CA LEU A 73 60.883 41.760 22.066 1.00 0.00 C ATOM 1176 C LEU A 73 61.767 40.523 21.895 1.00 0.00 C ATOM 1177 O LEU A 73 61.902 39.718 22.813 1.00 0.00 O ATOM 1178 CB LEU A 73 61.705 42.971 22.498 1.00 0.00 C ATOM 1179 CG LEU A 73 60.934 44.273 22.687 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.888 45.380 23.127 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.233 44.726 21.409 1.00 0.00 C ATOM 0 H LEU A 73 59.963 41.971 23.912 1.00 0.00 H new ATOM 0 HA LEU A 73 60.441 41.966 21.091 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.205 42.729 23.436 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.485 43.139 21.755 1.00 0.00 H new ATOM 0 HG LEU A 73 60.176 44.083 23.447 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.332 46.308 23.260 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.359 45.101 24.069 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.655 45.523 22.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.699 45.657 21.598 1.00 0.00 H new ATOM 0 HD22 LEU A 73 60.973 44.885 20.625 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.526 43.960 21.091 1.00 0.00 H new ATOM 1193 N ARG A 74 62.398 40.402 20.730 1.00 0.00 N ATOM 1194 CA ARG A 74 63.356 39.374 20.378 1.00 0.00 C ATOM 1195 C ARG A 74 64.800 39.855 20.543 1.00 0.00 C ATOM 1196 O ARG A 74 65.081 41.051 20.569 1.00 0.00 O ATOM 1197 CB ARG A 74 63.116 38.903 18.946 1.00 0.00 C ATOM 1198 CG ARG A 74 61.744 38.283 18.697 1.00 0.00 C ATOM 1199 CD ARG A 74 61.657 37.783 17.258 1.00 0.00 C ATOM 1200 NE ARG A 74 60.366 37.156 16.974 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.114 36.269 16.001 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.038 35.840 15.131 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.896 35.735 15.837 1.00 0.00 N ATOM 0 H ARG A 74 62.241 41.060 19.967 1.00 0.00 H new ATOM 0 HA ARG A 74 63.210 38.539 21.064 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.243 39.751 18.273 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.882 38.172 18.686 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.576 37.458 19.389 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.962 39.019 18.884 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.813 38.617 16.574 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.457 37.066 17.074 1.00 0.00 H new ATOM 0 HE ARG A 74 59.583 37.419 17.573 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.994 36.190 15.188 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.785 35.163 14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.134 36.002 16.461 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.731 35.062 15.089 1.00 0.00 H new ATOM 1217 N GLY A 75 65.716 38.892 20.589 1.00 0.00 N ATOM 1218 CA GLY A 75 67.147 39.070 20.719 1.00 0.00 C ATOM 1219 C GLY A 75 67.596 39.350 22.155 1.00 0.00 C ATOM 1220 O GLY A 75 67.071 40.247 22.811 1.00 0.00 O ATOM 0 H GLY A 75 65.456 37.907 20.532 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.652 38.174 20.356 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.463 39.895 20.080 1.00 0.00 H new ATOM 1224 N GLY A 76 68.582 38.598 22.637 1.00 0.00 N ATOM 1225 CA GLY A 76 69.111 38.710 23.982 1.00 0.00 C ATOM 1226 C GLY A 76 69.865 37.468 24.464 1.00 0.00 C ATOM 1227 O GLY A 76 69.494 36.339 24.075 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.793 37.645 25.282 1.00 0.00 O ATOM 0 H GLY A 76 69.043 37.876 22.083 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.781 39.568 24.027 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.289 38.911 24.668 1.00 0.00 H new TER 1232 GLY A 76